USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 957 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 9 HIS :FLIP no HE2:sc= -5.6! C(o=-9.2!,f=-4.3!) USER MOD Set 1.2: A 65 TYR OH : rot -90:sc= 1.3 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.0661 X(o=-3.8,f=-3.6) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -3.54! X(o=-3.7,f=-3.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -119:sc= -0.924 USER MOD Single : A 14 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -0.144 (180deg=-0.569) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -1.88 (180deg=-3.6!) USER MOD Single : A 42 THR OG1 : rot 110:sc= -1.73! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -117:sc= -4.85! (180deg=-6.72!) USER MOD Single : A 79 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.46) USER MOD Single : A 88 THR OG1 : rot -70:sc= -1.87 USER MOD Single : A 92 THR OG1 : rot 110:sc= -0.141 USER MOD Single : A 99 MET CE :methyl -118:sc= -0.189 (180deg=-2.63!) USER MOD Single : A 105 SER OG : rot 180:sc= -1.01 USER MOD Single : A 111 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.18) USER MOD Single : A 116 SER OG : rot -85:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -2.301 8.908 -11.940 1.00 0.00 N ATOM 2 CA SER A 2 -0.815 8.946 -11.950 1.00 0.00 C ATOM 3 C SER A 2 -0.252 8.891 -10.533 1.00 0.00 C ATOM 4 O SER A 2 0.234 9.892 -10.007 1.00 0.00 O ATOM 5 CB SER A 2 -0.364 10.229 -12.650 1.00 0.00 C ATOM 6 OG SER A 2 1.049 10.299 -12.731 1.00 0.00 O ATOM 0 HA SER A 2 -0.439 8.075 -12.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.791 10.269 -13.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.743 11.095 -12.107 1.00 0.00 H new ATOM 0 HG SER A 2 1.310 11.128 -13.184 1.00 0.00 H new ATOM 14 N ILE A 3 -0.321 7.713 -9.920 1.00 0.00 N ATOM 15 CA ILE A 3 0.180 7.524 -8.566 1.00 0.00 C ATOM 16 C ILE A 3 0.995 6.236 -8.463 1.00 0.00 C ATOM 17 O ILE A 3 1.392 5.668 -9.482 1.00 0.00 O ATOM 18 CB ILE A 3 -0.972 7.507 -7.535 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.787 6.216 -7.640 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.871 8.716 -7.735 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.508 6.060 -8.962 1.00 0.00 C ATOM 0 H ILE A 3 -0.720 6.875 -10.342 1.00 0.00 H new ATOM 0 HA ILE A 3 0.829 8.370 -8.338 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.536 7.550 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.123 5.364 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.518 6.191 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.679 8.694 -7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.289 9.628 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.291 8.695 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.065 5.123 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.198 6.892 -9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.781 6.052 -9.774 1.00 0.00 H new ATOM 33 N GLU A 4 1.256 5.779 -7.241 1.00 0.00 N ATOM 34 CA GLU A 4 2.039 4.562 -7.046 1.00 0.00 C ATOM 35 C GLU A 4 1.632 3.810 -5.779 1.00 0.00 C ATOM 36 O GLU A 4 1.135 4.401 -4.815 1.00 0.00 O ATOM 37 CB GLU A 4 3.530 4.900 -6.992 1.00 0.00 C ATOM 38 CG GLU A 4 4.217 4.835 -8.346 1.00 0.00 C ATOM 39 CD GLU A 4 4.947 6.117 -8.695 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.379 7.205 -8.464 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.087 6.034 -9.198 1.00 0.00 O ATOM 0 H GLU A 4 0.941 6.227 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 4 1.839 3.908 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.652 5.901 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.026 4.211 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.925 4.006 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.475 4.624 -9.116 1.00 0.00 H new ATOM 48 N TRP A 5 1.864 2.500 -5.795 1.00 0.00 N ATOM 49 CA TRP A 5 1.547 1.641 -4.661 1.00 0.00 C ATOM 50 C TRP A 5 2.792 1.404 -3.810 1.00 0.00 C ATOM 51 O TRP A 5 3.527 0.441 -4.029 1.00 0.00 O ATOM 52 CB TRP A 5 1.003 0.295 -5.146 1.00 0.00 C ATOM 53 CG TRP A 5 -0.423 0.342 -5.609 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.868 0.641 -6.863 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.588 0.071 -4.823 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.239 0.572 -6.906 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.705 0.225 -5.666 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.798 -0.287 -3.488 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.008 0.033 -5.218 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.092 -0.477 -3.046 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.183 -0.317 -3.908 1.00 0.00 C ATOM 0 H TRP A 5 2.274 2.008 -6.589 1.00 0.00 H new ATOM 0 HA TRP A 5 0.788 2.140 -4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.628 -0.064 -5.964 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.088 -0.432 -4.338 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.235 0.895 -7.700 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.816 0.750 -7.728 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.963 -0.413 -2.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.851 0.156 -5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.266 -0.754 -2.017 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.183 -0.473 -3.531 1.00 0.00 H new ATOM 72 N TYR A 6 3.025 2.283 -2.843 1.00 0.00 N ATOM 73 CA TYR A 6 4.186 2.157 -1.970 1.00 0.00 C ATOM 74 C TYR A 6 3.934 1.123 -0.879 1.00 0.00 C ATOM 75 O TYR A 6 2.946 1.203 -0.150 1.00 0.00 O ATOM 76 CB TYR A 6 4.531 3.509 -1.348 1.00 0.00 C ATOM 77 CG TYR A 6 5.276 4.426 -2.289 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.660 4.380 -2.381 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.595 5.336 -3.087 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.346 5.215 -3.242 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.273 6.175 -3.951 1.00 0.00 C ATOM 82 CZ TYR A 6 6.648 6.111 -4.026 1.00 0.00 C ATOM 83 OH TYR A 6 7.327 6.943 -4.884 1.00 0.00 O ATOM 0 H TYR A 6 2.429 3.087 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 6 5.030 1.821 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.612 3.999 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.135 3.347 -0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.210 3.680 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.518 5.389 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.423 5.167 -3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.728 6.877 -4.564 1.00 0.00 H new ATOM 0 HH TYR A 6 6.688 7.511 -5.363 1.00 0.00 H new ATOM 93 N ALA A 7 4.830 0.146 -0.780 1.00 0.00 N ATOM 94 CA ALA A 7 4.698 -0.911 0.213 1.00 0.00 C ATOM 95 C ALA A 7 5.711 -0.755 1.342 1.00 0.00 C ATOM 96 O ALA A 7 6.822 -0.266 1.135 1.00 0.00 O ATOM 97 CB ALA A 7 4.850 -2.273 -0.447 1.00 0.00 C ATOM 0 H ALA A 7 5.654 0.065 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 7 3.703 -0.833 0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.749 -3.055 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.077 -2.398 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.832 -2.343 -0.914 1.00 0.00 H new ATOM 103 N VAL A 8 5.316 -1.181 2.538 1.00 0.00 N ATOM 104 CA VAL A 8 6.179 -1.103 3.711 1.00 0.00 C ATOM 105 C VAL A 8 6.119 -2.402 4.506 1.00 0.00 C ATOM 106 O VAL A 8 5.197 -3.201 4.338 1.00 0.00 O ATOM 107 CB VAL A 8 5.780 0.070 4.629 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.804 0.255 5.739 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.622 1.349 3.821 1.00 0.00 C ATOM 0 H VAL A 8 4.398 -1.586 2.720 1.00 0.00 H new ATOM 0 HA VAL A 8 7.195 -0.937 3.354 1.00 0.00 H new ATOM 0 HB VAL A 8 4.820 -0.164 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.504 1.087 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.862 -0.655 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.780 0.466 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.340 2.166 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.566 1.589 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.847 1.210 3.068 1.00 0.00 H new ATOM 119 N HIS A 9 7.106 -2.615 5.371 1.00 0.00 N ATOM 120 CA HIS A 9 7.155 -3.825 6.182 1.00 0.00 C ATOM 121 C HIS A 9 6.674 -3.549 7.604 1.00 0.00 C ATOM 122 O HIS A 9 6.861 -2.453 8.130 1.00 0.00 O ATOM 123 CB HIS A 9 8.577 -4.388 6.208 1.00 0.00 C ATOM 124 CG HIS A 9 9.205 -4.483 4.852 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.316 -3.568 3.860 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.818 -5.627 4.384 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.989 -4.170 2.825 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.281 -5.410 3.166 1.00 0.00 N flip ATOM 0 H HIS A 9 7.879 -1.968 5.527 1.00 0.00 H new ATOM 0 HA HIS A 9 6.489 -4.562 5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.198 -3.757 6.844 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.559 -5.379 6.662 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.965 -2.610 3.878 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.906 -6.555 4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.239 -3.703 1.884 1.00 0.00 H new ATOM 137 N THR A 10 6.052 -4.551 8.218 1.00 0.00 N ATOM 138 CA THR A 10 5.544 -4.418 9.578 1.00 0.00 C ATOM 139 C THR A 10 5.764 -5.705 10.368 1.00 0.00 C ATOM 140 O THR A 10 6.357 -6.660 9.867 1.00 0.00 O ATOM 141 CB THR A 10 4.053 -4.074 9.555 1.00 0.00 C ATOM 142 OG1 THR A 10 3.321 -5.061 8.853 1.00 0.00 O ATOM 143 CG2 THR A 10 3.757 -2.736 8.912 1.00 0.00 C ATOM 0 H THR A 10 5.888 -5.464 7.794 1.00 0.00 H new ATOM 0 HA THR A 10 6.091 -3.612 10.067 1.00 0.00 H new ATOM 0 HB THR A 10 3.751 -4.030 10.601 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.877 -4.652 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.682 -2.554 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.267 -1.946 9.464 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.108 -2.743 7.880 1.00 0.00 H new ATOM 151 N LEU A 11 5.282 -5.721 11.607 1.00 0.00 N ATOM 152 CA LEU A 11 5.426 -6.891 12.466 1.00 0.00 C ATOM 153 C LEU A 11 4.271 -7.864 12.251 1.00 0.00 C ATOM 154 O LEU A 11 3.104 -7.472 12.264 1.00 0.00 O ATOM 155 CB LEU A 11 5.488 -6.467 13.935 1.00 0.00 C ATOM 156 CG LEU A 11 6.892 -6.451 14.544 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.023 -5.324 15.557 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.206 -7.791 15.191 1.00 0.00 C ATOM 0 H LEU A 11 4.789 -4.939 12.038 1.00 0.00 H new ATOM 0 HA LEU A 11 6.356 -7.395 12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.056 -5.471 14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.862 -7.142 14.519 1.00 0.00 H new ATOM 0 HG LEU A 11 7.612 -6.277 13.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.028 -5.329 15.979 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.841 -4.369 15.064 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.294 -5.465 16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.208 -7.762 15.619 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.480 -7.994 15.979 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.155 -8.579 14.439 1.00 0.00 H new ATOM 170 N VAL A 12 4.605 -9.136 12.053 1.00 0.00 N ATOM 171 CA VAL A 12 3.596 -10.166 11.834 1.00 0.00 C ATOM 172 C VAL A 12 2.613 -10.229 13.000 1.00 0.00 C ATOM 173 O VAL A 12 2.999 -10.494 14.138 1.00 0.00 O ATOM 174 CB VAL A 12 4.244 -11.552 11.642 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.024 -11.958 12.883 1.00 0.00 C ATOM 176 CG2 VAL A 12 3.190 -12.594 11.298 1.00 0.00 C ATOM 0 H VAL A 12 5.566 -9.477 12.040 1.00 0.00 H new ATOM 0 HA VAL A 12 3.057 -9.897 10.925 1.00 0.00 H new ATOM 0 HB VAL A 12 4.944 -11.490 10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.473 -12.939 12.726 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.809 -11.226 13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.350 -12.000 13.739 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.668 -13.565 11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.461 -12.655 12.106 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.685 -12.310 10.375 1.00 0.00 H new ATOM 186 N GLY A 13 1.340 -9.981 12.706 1.00 0.00 N ATOM 187 CA GLY A 13 0.321 -10.015 13.740 1.00 0.00 C ATOM 188 C GLY A 13 -0.062 -8.628 14.225 1.00 0.00 C ATOM 189 O GLY A 13 -1.156 -8.430 14.751 1.00 0.00 O ATOM 0 H GLY A 13 0.996 -9.758 11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.565 -10.520 13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.683 -10.604 14.583 1.00 0.00 H new ATOM 193 N GLN A 14 0.842 -7.671 14.049 1.00 0.00 N ATOM 194 CA GLN A 14 0.594 -6.296 14.474 1.00 0.00 C ATOM 195 C GLN A 14 0.097 -5.439 13.312 1.00 0.00 C ATOM 196 O GLN A 14 -0.511 -4.390 13.521 1.00 0.00 O ATOM 197 CB GLN A 14 1.867 -5.687 15.064 1.00 0.00 C ATOM 198 CG GLN A 14 1.636 -4.360 15.766 1.00 0.00 C ATOM 199 CD GLN A 14 2.565 -4.155 16.947 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.926 -5.106 17.639 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.956 -2.907 17.185 1.00 0.00 N ATOM 0 H GLN A 14 1.753 -7.821 13.615 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.183 -6.317 15.239 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.303 -6.392 15.772 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.596 -5.545 14.266 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.776 -3.547 15.053 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.602 -4.310 16.109 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.632 -2.148 16.585 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.580 -2.708 17.967 1.00 0.00 H new ATOM 210 N GLU A 15 0.361 -5.890 12.087 1.00 0.00 N ATOM 211 CA GLU A 15 -0.060 -5.159 10.896 1.00 0.00 C ATOM 212 C GLU A 15 -1.558 -4.868 10.930 1.00 0.00 C ATOM 213 O GLU A 15 -1.991 -3.757 10.621 1.00 0.00 O ATOM 214 CB GLU A 15 0.286 -5.953 9.635 1.00 0.00 C ATOM 215 CG GLU A 15 -0.215 -7.386 9.662 1.00 0.00 C ATOM 216 CD GLU A 15 -1.493 -7.573 8.868 1.00 0.00 C ATOM 217 OE1 GLU A 15 -2.306 -6.627 8.821 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.680 -8.665 8.292 1.00 0.00 O ATOM 0 H GLU A 15 0.864 -6.757 11.895 1.00 0.00 H new ATOM 0 HA GLU A 15 0.475 -4.209 10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.138 -5.445 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.368 -5.958 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.556 -8.044 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.386 -7.687 10.695 1.00 0.00 H new ATOM 225 N GLU A 16 -2.345 -5.872 11.307 1.00 0.00 N ATOM 226 CA GLU A 16 -3.795 -5.723 11.380 1.00 0.00 C ATOM 227 C GLU A 16 -4.177 -4.543 12.267 1.00 0.00 C ATOM 228 O GLU A 16 -5.028 -3.730 11.904 1.00 0.00 O ATOM 229 CB GLU A 16 -4.434 -7.006 11.914 1.00 0.00 C ATOM 230 CG GLU A 16 -4.698 -8.047 10.840 1.00 0.00 C ATOM 231 CD GLU A 16 -4.897 -9.437 11.411 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.373 -9.543 12.561 1.00 0.00 O ATOM 233 OE2 GLU A 16 -4.580 -10.419 10.707 1.00 0.00 O ATOM 0 H GLU A 16 -2.003 -6.797 11.567 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.167 -5.532 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.782 -7.437 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.375 -6.756 12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.584 -7.761 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.862 -8.062 10.141 1.00 0.00 H new ATOM 240 N LYS A 17 -3.542 -4.453 13.432 1.00 0.00 N ATOM 241 CA LYS A 17 -3.814 -3.369 14.369 1.00 0.00 C ATOM 242 C LYS A 17 -3.088 -2.094 13.949 1.00 0.00 C ATOM 243 O LYS A 17 -3.530 -0.987 14.257 1.00 0.00 O ATOM 244 CB LYS A 17 -3.388 -3.771 15.782 1.00 0.00 C ATOM 245 CG LYS A 17 -3.661 -2.703 16.827 1.00 0.00 C ATOM 246 CD LYS A 17 -3.286 -3.178 18.222 1.00 0.00 C ATOM 247 CE LYS A 17 -1.786 -3.380 18.360 1.00 0.00 C ATOM 248 NZ LYS A 17 -1.448 -4.771 18.768 1.00 0.00 N ATOM 0 H LYS A 17 -2.836 -5.117 13.749 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.886 -3.174 14.362 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.911 -4.685 16.064 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.323 -4.001 15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.097 -1.803 16.584 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.717 -2.433 16.805 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.625 -2.449 18.958 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.801 -4.114 18.439 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.300 -3.152 17.411 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.392 -2.680 19.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.416 -4.867 18.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.890 -4.981 19.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.802 -5.438 18.053 1.00 0.00 H new ATOM 262 N ALA A 18 -1.972 -2.258 13.246 1.00 0.00 N ATOM 263 CA ALA A 18 -1.186 -1.122 12.785 1.00 0.00 C ATOM 264 C ALA A 18 -2.004 -0.227 11.860 1.00 0.00 C ATOM 265 O ALA A 18 -1.953 0.999 11.962 1.00 0.00 O ATOM 266 CB ALA A 18 0.072 -1.603 12.078 1.00 0.00 C ATOM 0 H ALA A 18 -1.592 -3.168 12.984 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.898 -0.534 13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.650 -0.743 11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.673 -2.195 12.768 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.205 -2.216 11.220 1.00 0.00 H new ATOM 272 N LYS A 19 -2.758 -0.847 10.956 1.00 0.00 N ATOM 273 CA LYS A 19 -3.587 -0.108 10.009 1.00 0.00 C ATOM 274 C LYS A 19 -4.438 0.940 10.721 1.00 0.00 C ATOM 275 O LYS A 19 -4.483 2.101 10.312 1.00 0.00 O ATOM 276 CB LYS A 19 -4.490 -1.068 9.233 1.00 0.00 C ATOM 277 CG LYS A 19 -4.831 -0.586 7.831 1.00 0.00 C ATOM 278 CD LYS A 19 -6.322 -0.683 7.553 1.00 0.00 C ATOM 279 CE LYS A 19 -6.599 -0.955 6.083 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.940 -1.569 5.875 1.00 0.00 N ATOM 0 H LYS A 19 -2.812 -1.861 10.860 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.923 0.404 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.000 -2.039 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.414 -1.216 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.505 0.447 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.284 -1.180 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.755 -1.479 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.810 0.245 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.536 -0.022 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.831 -1.618 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.090 -1.739 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.992 -2.472 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.675 -0.926 6.231 1.00 0.00 H new ATOM 294 N ALA A 20 -5.108 0.524 11.790 1.00 0.00 N ATOM 295 CA ALA A 20 -5.954 1.428 12.559 1.00 0.00 C ATOM 296 C ALA A 20 -5.136 2.567 13.155 1.00 0.00 C ATOM 297 O ALA A 20 -5.620 3.691 13.288 1.00 0.00 O ATOM 298 CB ALA A 20 -6.678 0.664 13.657 1.00 0.00 C ATOM 0 H ALA A 20 -5.082 -0.433 12.143 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.693 1.860 11.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.307 1.350 14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.299 -0.113 13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.948 0.206 14.324 1.00 0.00 H new ATOM 304 N ASN A 21 -3.890 2.269 13.512 1.00 0.00 N ATOM 305 CA ASN A 21 -3.003 3.269 14.093 1.00 0.00 C ATOM 306 C ASN A 21 -2.679 4.366 13.084 1.00 0.00 C ATOM 307 O ASN A 21 -2.591 5.542 13.438 1.00 0.00 O ATOM 308 CB ASN A 21 -1.712 2.610 14.584 1.00 0.00 C ATOM 309 CG ASN A 21 -1.748 2.305 16.069 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.160 1.220 16.481 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.314 3.262 16.881 1.00 0.00 N ATOM 0 H ASN A 21 -3.473 1.344 13.409 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.516 3.725 14.940 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.545 1.686 14.030 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.868 3.266 14.371 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.313 3.113 17.890 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.981 4.146 16.496 1.00 0.00 H new ATOM 318 N LEU A 22 -2.498 3.975 11.826 1.00 0.00 N ATOM 319 CA LEU A 22 -2.184 4.931 10.770 1.00 0.00 C ATOM 320 C LEU A 22 -3.412 5.742 10.385 1.00 0.00 C ATOM 321 O LEU A 22 -3.395 6.969 10.435 1.00 0.00 O ATOM 322 CB LEU A 22 -1.639 4.213 9.534 1.00 0.00 C ATOM 323 CG LEU A 22 -0.803 2.965 9.815 1.00 0.00 C ATOM 324 CD1 LEU A 22 -0.142 2.473 8.537 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.241 3.251 10.887 1.00 0.00 C ATOM 0 H LEU A 22 -2.563 3.006 11.514 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.422 5.608 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.479 3.931 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.031 4.916 8.965 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.463 2.180 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.450 1.584 8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.909 2.229 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.507 3.253 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.827 2.351 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.901 4.050 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.257 3.557 11.807 1.00 0.00 H new ATOM 337 N GLU A 23 -4.476 5.047 9.994 1.00 0.00 N ATOM 338 CA GLU A 23 -5.721 5.698 9.586 1.00 0.00 C ATOM 339 C GLU A 23 -6.074 6.868 10.503 1.00 0.00 C ATOM 340 O GLU A 23 -6.588 7.889 10.048 1.00 0.00 O ATOM 341 CB GLU A 23 -6.869 4.686 9.570 1.00 0.00 C ATOM 342 CG GLU A 23 -8.164 5.244 9.005 1.00 0.00 C ATOM 343 CD GLU A 23 -9.380 4.825 9.808 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.679 5.491 10.823 1.00 0.00 O ATOM 345 OE2 GLU A 23 -10.033 3.832 9.424 1.00 0.00 O ATOM 0 H GLU A 23 -4.503 4.028 9.950 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.570 6.092 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.570 3.819 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.047 4.335 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.106 6.332 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.281 4.908 7.975 1.00 0.00 H new ATOM 352 N LYS A 24 -5.790 6.715 11.792 1.00 0.00 N ATOM 353 CA LYS A 24 -6.078 7.768 12.760 1.00 0.00 C ATOM 354 C LYS A 24 -5.030 8.873 12.678 1.00 0.00 C ATOM 355 O LYS A 24 -5.349 10.055 12.802 1.00 0.00 O ATOM 356 CB LYS A 24 -6.126 7.195 14.177 1.00 0.00 C ATOM 357 CG LYS A 24 -7.425 6.474 14.498 1.00 0.00 C ATOM 358 CD LYS A 24 -7.591 6.265 15.995 1.00 0.00 C ATOM 359 CE LYS A 24 -8.896 5.556 16.316 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.997 6.519 16.598 1.00 0.00 N ATOM 0 H LYS A 24 -5.363 5.878 12.189 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.053 8.193 12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.294 6.503 14.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.983 8.005 14.892 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.267 7.051 14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.442 5.509 13.991 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.754 5.680 16.377 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.565 7.229 16.503 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.178 4.918 15.479 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.753 4.905 17.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.870 5.995 16.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.740 7.112 17.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.151 7.123 15.766 1.00 0.00 H new ATOM 374 N ARG A 25 -3.781 8.478 12.460 1.00 0.00 N ATOM 375 CA ARG A 25 -2.688 9.435 12.350 1.00 0.00 C ATOM 376 C ARG A 25 -2.722 10.137 10.996 1.00 0.00 C ATOM 377 O ARG A 25 -2.270 11.275 10.866 1.00 0.00 O ATOM 378 CB ARG A 25 -1.344 8.730 12.542 1.00 0.00 C ATOM 379 CG ARG A 25 -1.111 8.237 13.961 1.00 0.00 C ATOM 380 CD ARG A 25 -0.631 9.357 14.868 1.00 0.00 C ATOM 381 NE ARG A 25 -0.011 8.845 16.088 1.00 0.00 N ATOM 382 CZ ARG A 25 0.793 9.563 16.869 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.075 10.823 16.562 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.314 9.020 17.960 1.00 0.00 N ATOM 0 H ARG A 25 -3.501 7.503 12.356 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.809 10.184 13.132 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.287 7.883 11.858 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.542 9.415 12.268 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.035 7.817 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.374 7.434 13.952 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.086 9.977 14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.473 9.997 15.130 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.206 7.881 16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.675 11.246 15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.692 11.369 17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.099 8.052 18.201 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.930 9.570 18.559 1.00 0.00 H new ATOM 398 N ILE A 26 -3.263 9.454 9.991 1.00 0.00 N ATOM 399 CA ILE A 26 -3.359 10.016 8.652 1.00 0.00 C ATOM 400 C ILE A 26 -4.445 11.087 8.595 1.00 0.00 C ATOM 401 O ILE A 26 -4.354 12.036 7.816 1.00 0.00 O ATOM 402 CB ILE A 26 -3.657 8.925 7.601 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.532 7.886 7.580 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.842 9.540 6.218 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.206 8.440 7.103 1.00 0.00 C ATOM 0 H ILE A 26 -3.641 8.511 10.081 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.394 10.466 8.420 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.587 8.427 7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.406 7.478 8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.825 7.059 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.051 8.752 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.675 10.242 6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.932 10.066 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.456 7.649 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.315 8.822 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.891 9.248 7.763 1.00 0.00 H new ATOM 417 N LYS A 27 -5.471 10.928 9.426 1.00 0.00 N ATOM 418 CA LYS A 27 -6.571 11.886 9.471 1.00 0.00 C ATOM 419 C LYS A 27 -6.199 13.104 10.310 1.00 0.00 C ATOM 420 O LYS A 27 -6.681 14.210 10.067 1.00 0.00 O ATOM 421 CB LYS A 27 -7.826 11.225 10.043 1.00 0.00 C ATOM 422 CG LYS A 27 -9.069 12.095 9.942 1.00 0.00 C ATOM 423 CD LYS A 27 -10.044 11.808 11.074 1.00 0.00 C ATOM 424 CE LYS A 27 -11.293 12.666 10.963 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.831 12.688 9.575 1.00 0.00 N ATOM 0 H LYS A 27 -5.564 10.147 10.076 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.773 12.217 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.005 10.287 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.651 10.975 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.782 13.146 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.560 11.920 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.322 10.754 11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.557 11.994 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.056 12.285 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.064 13.684 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.852 12.881 9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.352 13.432 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.665 11.766 9.124 1.00 0.00 H new ATOM 439 N ALA A 28 -5.337 12.892 11.301 1.00 0.00 N ATOM 440 CA ALA A 28 -4.900 13.972 12.177 1.00 0.00 C ATOM 441 C ALA A 28 -3.881 14.866 11.478 1.00 0.00 C ATOM 442 O ALA A 28 -3.948 16.092 11.575 1.00 0.00 O ATOM 443 CB ALA A 28 -4.313 13.405 13.462 1.00 0.00 C ATOM 0 H ALA A 28 -4.928 11.983 11.516 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.770 14.580 12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.991 14.223 14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.069 12.813 13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.458 12.773 13.223 1.00 0.00 H new ATOM 449 N PHE A 29 -2.942 14.245 10.775 1.00 0.00 N ATOM 450 CA PHE A 29 -1.909 14.986 10.058 1.00 0.00 C ATOM 451 C PHE A 29 -2.421 15.492 8.709 1.00 0.00 C ATOM 452 O PHE A 29 -1.706 16.193 7.992 1.00 0.00 O ATOM 453 CB PHE A 29 -0.676 14.104 9.848 1.00 0.00 C ATOM 454 CG PHE A 29 0.262 14.092 11.021 1.00 0.00 C ATOM 455 CD1 PHE A 29 1.200 15.099 11.185 1.00 0.00 C ATOM 456 CD2 PHE A 29 0.204 13.074 11.961 1.00 0.00 C ATOM 457 CE1 PHE A 29 2.063 15.091 12.264 1.00 0.00 C ATOM 458 CE2 PHE A 29 1.065 13.061 13.041 1.00 0.00 C ATOM 459 CZ PHE A 29 1.997 14.070 13.193 1.00 0.00 C ATOM 0 H PHE A 29 -2.874 13.231 10.685 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.637 15.850 10.664 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.000 13.084 9.642 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.137 14.451 8.966 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.257 15.899 10.461 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.522 12.283 11.847 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.789 15.882 12.381 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.010 12.263 13.766 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.672 14.061 14.036 1.00 0.00 H new ATOM 469 N GLY A 30 -3.657 15.136 8.366 1.00 0.00 N ATOM 470 CA GLY A 30 -4.228 15.567 7.103 1.00 0.00 C ATOM 471 C GLY A 30 -3.418 15.095 5.912 1.00 0.00 C ATOM 472 O GLY A 30 -2.614 15.847 5.362 1.00 0.00 O ATOM 0 H GLY A 30 -4.271 14.558 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.247 15.188 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.291 16.655 7.088 1.00 0.00 H new ATOM 476 N LEU A 31 -3.625 13.842 5.517 1.00 0.00 N ATOM 477 CA LEU A 31 -2.905 13.269 4.386 1.00 0.00 C ATOM 478 C LEU A 31 -3.840 12.468 3.485 1.00 0.00 C ATOM 479 O LEU A 31 -3.401 11.587 2.746 1.00 0.00 O ATOM 480 CB LEU A 31 -1.768 12.376 4.886 1.00 0.00 C ATOM 481 CG LEU A 31 -0.991 12.929 6.082 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.365 11.799 6.884 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.073 13.911 5.616 1.00 0.00 C ATOM 0 H LEU A 31 -4.285 13.205 5.963 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.489 14.088 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.181 11.405 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.071 12.207 4.065 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.688 13.460 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.183 12.214 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.148 11.135 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.320 11.237 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.617 14.295 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.767 13.404 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.402 14.738 5.089 1.00 0.00 H new ATOM 495 N GLN A 32 -5.131 12.781 3.547 1.00 0.00 N ATOM 496 CA GLN A 32 -6.125 12.090 2.734 1.00 0.00 C ATOM 497 C GLN A 32 -6.108 12.598 1.294 1.00 0.00 C ATOM 498 O GLN A 32 -6.656 11.957 0.395 1.00 0.00 O ATOM 499 CB GLN A 32 -7.521 12.270 3.337 1.00 0.00 C ATOM 500 CG GLN A 32 -8.131 10.979 3.854 1.00 0.00 C ATOM 501 CD GLN A 32 -9.339 11.217 4.738 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.227 11.266 5.963 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.504 11.369 4.120 1.00 0.00 N ATOM 0 H GLN A 32 -5.513 13.508 4.152 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.874 11.029 2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.465 12.988 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.181 12.697 2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.421 10.355 3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.378 10.425 4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.551 11.321 3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.352 11.534 4.663 1.00 0.00 H new ATOM 512 N ASP A 33 -5.481 13.751 1.075 1.00 0.00 N ATOM 513 CA ASP A 33 -5.402 14.337 -0.259 1.00 0.00 C ATOM 514 C ASP A 33 -4.298 13.685 -1.093 1.00 0.00 C ATOM 515 O ASP A 33 -4.175 13.956 -2.287 1.00 0.00 O ATOM 516 CB ASP A 33 -5.159 15.844 -0.159 1.00 0.00 C ATOM 517 CG ASP A 33 -6.443 16.644 -0.259 1.00 0.00 C ATOM 518 OD1 ASP A 33 -7.188 16.452 -1.243 1.00 0.00 O ATOM 519 OD2 ASP A 33 -6.704 17.464 0.647 1.00 0.00 O ATOM 0 H ASP A 33 -5.021 14.297 1.804 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.353 14.156 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.667 16.068 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.479 16.153 -0.953 1.00 0.00 H new ATOM 524 N LYS A 34 -3.499 12.825 -0.464 1.00 0.00 N ATOM 525 CA LYS A 34 -2.415 12.143 -1.163 1.00 0.00 C ATOM 526 C LYS A 34 -2.652 10.636 -1.194 1.00 0.00 C ATOM 527 O LYS A 34 -2.516 9.999 -2.239 1.00 0.00 O ATOM 528 CB LYS A 34 -1.068 12.451 -0.502 1.00 0.00 C ATOM 529 CG LYS A 34 -1.120 12.486 1.017 1.00 0.00 C ATOM 530 CD LYS A 34 0.167 13.042 1.605 1.00 0.00 C ATOM 531 CE LYS A 34 1.377 12.231 1.170 1.00 0.00 C ATOM 532 NZ LYS A 34 1.141 10.766 1.302 1.00 0.00 N ATOM 0 H LYS A 34 -3.582 12.586 0.524 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.393 12.511 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.342 11.700 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.708 13.413 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.963 13.098 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.291 11.480 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.292 14.079 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.100 13.042 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.619 12.468 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.240 12.515 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.050 10.278 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.531 10.585 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.677 10.410 0.442 1.00 0.00 H new ATOM 546 N ILE A 35 -3.012 10.072 -0.046 1.00 0.00 N ATOM 547 CA ILE A 35 -3.275 8.641 0.051 1.00 0.00 C ATOM 548 C ILE A 35 -4.671 8.314 -0.470 1.00 0.00 C ATOM 549 O ILE A 35 -5.673 8.645 0.164 1.00 0.00 O ATOM 550 CB ILE A 35 -3.148 8.139 1.502 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.848 8.645 2.128 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.208 6.619 1.544 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.649 8.192 3.558 1.00 0.00 C ATOM 0 H ILE A 35 -3.128 10.583 0.829 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.528 8.136 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.984 8.532 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.007 8.301 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.839 9.734 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.117 6.280 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.159 6.281 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.391 6.206 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.707 8.588 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.471 8.558 4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.626 7.103 3.595 1.00 0.00 H new ATOM 565 N PHE A 36 -4.730 7.671 -1.633 1.00 0.00 N ATOM 566 CA PHE A 36 -6.007 7.312 -2.241 1.00 0.00 C ATOM 567 C PHE A 36 -6.418 5.892 -1.876 1.00 0.00 C ATOM 568 O PHE A 36 -7.471 5.676 -1.275 1.00 0.00 O ATOM 569 CB PHE A 36 -5.932 7.445 -3.764 1.00 0.00 C ATOM 570 CG PHE A 36 -5.174 8.656 -4.227 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.769 9.907 -4.226 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.866 8.539 -4.665 1.00 0.00 C ATOM 573 CE1 PHE A 36 -5.070 11.020 -4.652 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.163 9.648 -5.091 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.765 10.891 -5.085 1.00 0.00 C ATOM 0 H PHE A 36 -3.911 7.389 -2.172 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.758 8.000 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.460 6.553 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.944 7.485 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.789 10.013 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.390 7.569 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.544 11.990 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.143 9.544 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.217 11.760 -5.418 1.00 0.00 H new ATOM 585 N GLN A 37 -5.590 4.924 -2.253 1.00 0.00 N ATOM 586 CA GLN A 37 -5.886 3.524 -1.975 1.00 0.00 C ATOM 587 C GLN A 37 -4.958 2.964 -0.901 1.00 0.00 C ATOM 588 O GLN A 37 -3.793 3.347 -0.805 1.00 0.00 O ATOM 589 CB GLN A 37 -5.769 2.696 -3.256 1.00 0.00 C ATOM 590 CG GLN A 37 -7.101 2.169 -3.759 1.00 0.00 C ATOM 591 CD GLN A 37 -7.456 2.694 -5.139 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.992 2.000 -6.172 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.137 3.711 -5.273 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.713 5.082 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.908 3.464 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.312 3.307 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.099 1.855 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.069 1.080 -3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.886 2.447 -3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.472 4.212 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.366 4.052 -6.207 1.00 0.00 H new ATOM 602 N VAL A 38 -5.491 2.050 -0.097 1.00 0.00 N ATOM 603 CA VAL A 38 -4.725 1.423 0.971 1.00 0.00 C ATOM 604 C VAL A 38 -5.170 -0.021 1.172 1.00 0.00 C ATOM 605 O VAL A 38 -6.078 -0.299 1.956 1.00 0.00 O ATOM 606 CB VAL A 38 -4.878 2.188 2.299 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.922 1.637 3.347 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.645 3.677 2.086 1.00 0.00 C ATOM 0 H VAL A 38 -6.456 1.726 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.677 1.446 0.673 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.897 2.050 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.045 2.190 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.140 0.583 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.896 1.743 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.757 4.202 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.638 3.836 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.373 4.060 1.371 1.00 0.00 H new ATOM 618 N LEU A 39 -4.531 -0.935 0.451 1.00 0.00 N ATOM 619 CA LEU A 39 -4.865 -2.351 0.539 1.00 0.00 C ATOM 620 C LEU A 39 -3.845 -3.107 1.382 1.00 0.00 C ATOM 621 O LEU A 39 -2.768 -2.591 1.684 1.00 0.00 O ATOM 622 CB LEU A 39 -4.940 -2.966 -0.860 1.00 0.00 C ATOM 623 CG LEU A 39 -6.284 -2.794 -1.571 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.380 -3.541 -0.828 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.633 -1.318 -1.701 1.00 0.00 C ATOM 0 H LEU A 39 -3.778 -0.720 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.838 -2.435 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.160 -2.522 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.720 -4.031 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.201 -3.216 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.328 -3.407 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.134 -4.602 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.464 -3.150 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.592 -1.214 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.698 -0.871 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.860 -0.811 -2.278 1.00 0.00 H new ATOM 637 N ILE A 40 -4.191 -4.335 1.752 1.00 0.00 N ATOM 638 CA ILE A 40 -3.308 -5.169 2.555 1.00 0.00 C ATOM 639 C ILE A 40 -2.970 -6.465 1.819 1.00 0.00 C ATOM 640 O ILE A 40 -3.852 -7.106 1.246 1.00 0.00 O ATOM 641 CB ILE A 40 -3.944 -5.515 3.917 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.352 -6.077 3.719 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.980 -4.285 4.811 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.913 -6.751 4.953 1.00 0.00 C ATOM 0 H ILE A 40 -5.078 -4.774 1.508 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.396 -4.598 2.727 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.335 -6.277 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.019 -5.268 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.336 -6.794 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.431 -4.544 5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.965 -3.924 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.570 -3.504 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.914 -7.126 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.268 -7.582 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.961 -6.031 5.770 1.00 0.00 H new ATOM 656 N PRO A 41 -1.686 -6.866 1.818 1.00 0.00 N ATOM 657 CA PRO A 41 -1.242 -8.090 1.140 1.00 0.00 C ATOM 658 C PRO A 41 -1.810 -9.354 1.782 1.00 0.00 C ATOM 659 O PRO A 41 -1.073 -10.174 2.328 1.00 0.00 O ATOM 660 CB PRO A 41 0.281 -8.054 1.289 1.00 0.00 C ATOM 661 CG PRO A 41 0.532 -7.181 2.468 1.00 0.00 C ATOM 662 CD PRO A 41 -0.569 -6.160 2.469 1.00 0.00 C ATOM 0 HA PRO A 41 -1.581 -8.121 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.686 -9.054 1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.756 -7.654 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.527 -7.761 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.508 -6.702 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.826 -5.847 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.286 -5.262 1.920 1.00 0.00 H new ATOM 670 N THR A 42 -3.128 -9.504 1.705 1.00 0.00 N ATOM 671 CA THR A 42 -3.802 -10.666 2.273 1.00 0.00 C ATOM 672 C THR A 42 -5.091 -10.961 1.516 1.00 0.00 C ATOM 673 O THR A 42 -5.823 -10.047 1.137 1.00 0.00 O ATOM 674 CB THR A 42 -4.108 -10.433 3.754 1.00 0.00 C ATOM 675 OG1 THR A 42 -4.803 -9.212 3.935 1.00 0.00 O ATOM 676 CG2 THR A 42 -2.870 -10.389 4.623 1.00 0.00 C ATOM 0 H THR A 42 -3.752 -8.834 1.254 1.00 0.00 H new ATOM 0 HA THR A 42 -3.138 -11.525 2.180 1.00 0.00 H new ATOM 0 HB THR A 42 -4.716 -11.284 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.729 -9.398 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.159 -10.221 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.336 -11.336 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.221 -9.578 4.291 1.00 0.00 H new ATOM 684 N GLU A 43 -5.366 -12.242 1.301 1.00 0.00 N ATOM 685 CA GLU A 43 -6.571 -12.652 0.590 1.00 0.00 C ATOM 686 C GLU A 43 -7.780 -12.618 1.517 1.00 0.00 C ATOM 687 O GLU A 43 -7.641 -12.700 2.737 1.00 0.00 O ATOM 688 CB GLU A 43 -6.396 -14.057 0.009 1.00 0.00 C ATOM 689 CG GLU A 43 -7.337 -14.358 -1.145 1.00 0.00 C ATOM 690 CD GLU A 43 -6.787 -15.414 -2.086 1.00 0.00 C ATOM 691 OE1 GLU A 43 -5.550 -15.482 -2.243 1.00 0.00 O ATOM 692 OE2 GLU A 43 -7.594 -16.173 -2.665 1.00 0.00 O ATOM 0 H GLU A 43 -4.773 -13.013 1.608 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.739 -11.951 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.367 -14.175 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.557 -14.791 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.296 -14.693 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.526 -13.441 -1.704 1.00 0.00 H new ATOM 699 N GLU A 44 -8.966 -12.492 0.932 1.00 0.00 N ATOM 700 CA GLU A 44 -10.197 -12.443 1.710 1.00 0.00 C ATOM 701 C GLU A 44 -11.348 -13.100 0.955 1.00 0.00 C ATOM 702 O GLU A 44 -11.594 -12.794 -0.212 1.00 0.00 O ATOM 703 CB GLU A 44 -10.554 -10.993 2.049 1.00 0.00 C ATOM 704 CG GLU A 44 -10.830 -10.764 3.526 1.00 0.00 C ATOM 705 CD GLU A 44 -12.296 -10.934 3.878 1.00 0.00 C ATOM 706 OE1 GLU A 44 -12.884 -11.963 3.486 1.00 0.00 O ATOM 707 OE2 GLU A 44 -12.853 -10.038 4.546 1.00 0.00 O ATOM 0 H GLU A 44 -9.100 -12.422 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.033 -12.996 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.737 -10.344 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.432 -10.700 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.235 -11.462 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.508 -9.759 3.801 1.00 0.00 H new ATOM 714 N VAL A 45 -12.051 -14.001 1.631 1.00 0.00 N ATOM 715 CA VAL A 45 -13.179 -14.700 1.028 1.00 0.00 C ATOM 716 C VAL A 45 -14.349 -14.783 2.000 1.00 0.00 C ATOM 717 O VAL A 45 -14.165 -14.719 3.216 1.00 0.00 O ATOM 718 CB VAL A 45 -12.796 -16.125 0.582 1.00 0.00 C ATOM 719 CG1 VAL A 45 -13.836 -16.680 -0.378 1.00 0.00 C ATOM 720 CG2 VAL A 45 -11.413 -16.139 -0.053 1.00 0.00 C ATOM 0 H VAL A 45 -11.860 -14.265 2.598 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.472 -14.125 0.150 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.768 -16.764 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.550 -17.687 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.807 -16.713 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.898 -16.039 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.164 -17.155 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.406 -15.485 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.677 -15.788 0.670 1.00 0.00 H new ATOM 730 N VAL A 46 -15.553 -14.925 1.458 1.00 0.00 N ATOM 731 CA VAL A 46 -16.753 -15.016 2.277 1.00 0.00 C ATOM 732 C VAL A 46 -17.900 -15.658 1.500 1.00 0.00 C ATOM 733 O VAL A 46 -18.380 -15.104 0.511 1.00 0.00 O ATOM 734 CB VAL A 46 -17.197 -13.627 2.779 1.00 0.00 C ATOM 735 CG1 VAL A 46 -17.530 -12.713 1.610 1.00 0.00 C ATOM 736 CG2 VAL A 46 -18.383 -13.752 3.725 1.00 0.00 C ATOM 0 H VAL A 46 -15.723 -14.980 0.454 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.506 -15.641 3.135 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.369 -13.182 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.841 -11.739 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.649 -12.594 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.339 -13.151 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.681 -12.761 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.217 -14.221 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.102 -14.363 4.582 1.00 0.00 H new ATOM 746 N GLU A 47 -18.332 -16.828 1.957 1.00 0.00 N ATOM 747 CA GLU A 47 -19.423 -17.545 1.306 1.00 0.00 C ATOM 748 C GLU A 47 -20.694 -17.481 2.144 1.00 0.00 C ATOM 749 O GLU A 47 -20.641 -17.240 3.351 1.00 0.00 O ATOM 750 CB GLU A 47 -19.029 -19.004 1.065 1.00 0.00 C ATOM 751 CG GLU A 47 -18.354 -19.240 -0.277 1.00 0.00 C ATOM 752 CD GLU A 47 -18.538 -20.658 -0.781 1.00 0.00 C ATOM 753 OE1 GLU A 47 -18.754 -21.561 0.055 1.00 0.00 O ATOM 754 OE2 GLU A 47 -18.465 -20.865 -2.010 1.00 0.00 O ATOM 0 H GLU A 47 -17.945 -17.300 2.774 1.00 0.00 H new ATOM 0 HA GLU A 47 -19.619 -17.065 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -18.358 -19.326 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -19.921 -19.627 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -18.758 -18.542 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -17.289 -19.026 -0.187 1.00 0.00 H new ATOM 761 N LEU A 48 -21.833 -17.701 1.499 1.00 0.00 N ATOM 762 CA LEU A 48 -23.120 -17.671 2.185 1.00 0.00 C ATOM 763 C LEU A 48 -24.041 -18.761 1.651 1.00 0.00 C ATOM 764 O LEU A 48 -25.251 -18.566 1.532 1.00 0.00 O ATOM 765 CB LEU A 48 -23.779 -16.298 2.027 1.00 0.00 C ATOM 766 CG LEU A 48 -24.270 -15.970 0.615 1.00 0.00 C ATOM 767 CD1 LEU A 48 -24.973 -14.622 0.594 1.00 0.00 C ATOM 768 CD2 LEU A 48 -23.112 -15.983 -0.370 1.00 0.00 C ATOM 0 H LEU A 48 -21.892 -17.902 0.501 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.945 -17.855 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -24.625 -16.238 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -23.066 -15.533 2.333 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.985 -16.736 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -25.315 -14.406 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -25.829 -14.647 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -24.280 -13.845 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -23.481 -15.748 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -22.372 -15.240 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.651 -16.971 -0.377 1.00 0.00 H new ATOM 780 N ARG A 49 -23.456 -19.910 1.334 1.00 0.00 N ATOM 781 CA ARG A 49 -24.215 -21.040 0.812 1.00 0.00 C ATOM 782 C ARG A 49 -24.195 -22.206 1.796 1.00 0.00 C ATOM 783 O ARG A 49 -23.647 -22.094 2.892 1.00 0.00 O ATOM 784 CB ARG A 49 -23.645 -21.482 -0.538 1.00 0.00 C ATOM 785 CG ARG A 49 -22.126 -21.551 -0.563 1.00 0.00 C ATOM 786 CD ARG A 49 -21.629 -22.476 -1.662 1.00 0.00 C ATOM 787 NE ARG A 49 -21.808 -23.883 -1.317 1.00 0.00 N ATOM 788 CZ ARG A 49 -21.429 -24.894 -2.097 1.00 0.00 C ATOM 789 NH1 ARG A 49 -20.849 -24.654 -3.268 1.00 0.00 N ATOM 790 NH2 ARG A 49 -21.630 -26.144 -1.707 1.00 0.00 N ATOM 0 H ARG A 49 -22.456 -20.084 1.430 1.00 0.00 H new ATOM 0 HA ARG A 49 -25.249 -20.723 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -24.049 -22.462 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -23.982 -20.790 -1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.718 -20.552 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.761 -21.902 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.163 -22.259 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.573 -22.281 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.250 -24.105 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.693 -23.693 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.560 -25.431 -3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.075 -26.333 -0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.340 -26.918 -2.305 1.00 0.00 H new ATOM 804 N GLU A 50 -24.795 -23.323 1.397 1.00 0.00 N ATOM 805 CA GLU A 50 -24.845 -24.510 2.244 1.00 0.00 C ATOM 806 C GLU A 50 -25.691 -24.255 3.487 1.00 0.00 C ATOM 807 O GLU A 50 -25.345 -24.687 4.587 1.00 0.00 O ATOM 808 CB GLU A 50 -23.432 -24.936 2.651 1.00 0.00 C ATOM 809 CG GLU A 50 -23.363 -26.337 3.235 1.00 0.00 C ATOM 810 CD GLU A 50 -21.939 -26.793 3.489 1.00 0.00 C ATOM 811 OE1 GLU A 50 -21.337 -26.333 4.482 1.00 0.00 O ATOM 812 OE2 GLU A 50 -21.426 -27.609 2.694 1.00 0.00 O ATOM 0 H GLU A 50 -25.254 -23.431 0.492 1.00 0.00 H new ATOM 0 HA GLU A 50 -25.306 -25.314 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.780 -24.883 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.044 -24.227 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -23.922 -26.365 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.848 -27.035 2.553 1.00 0.00 H new ATOM 819 N GLY A 51 -26.803 -23.550 3.304 1.00 0.00 N ATOM 820 CA GLY A 51 -27.682 -23.249 4.418 1.00 0.00 C ATOM 821 C GLY A 51 -27.525 -21.825 4.914 1.00 0.00 C ATOM 822 O GLY A 51 -27.481 -20.885 4.121 1.00 0.00 O ATOM 0 H GLY A 51 -27.111 -23.182 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -28.716 -23.413 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -27.476 -23.940 5.236 1.00 0.00 H new ATOM 826 N GLY A 52 -27.438 -21.665 6.231 1.00 0.00 N ATOM 827 CA GLY A 52 -27.284 -20.344 6.811 1.00 0.00 C ATOM 828 C GLY A 52 -26.040 -20.228 7.668 1.00 0.00 C ATOM 829 O GLY A 52 -26.121 -20.243 8.896 1.00 0.00 O ATOM 0 H GLY A 52 -27.472 -22.428 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.242 -19.603 6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -28.161 -20.112 7.416 1.00 0.00 H new ATOM 833 N LYS A 53 -24.886 -20.114 7.020 1.00 0.00 N ATOM 834 CA LYS A 53 -23.619 -19.996 7.731 1.00 0.00 C ATOM 835 C LYS A 53 -22.691 -19.009 7.030 1.00 0.00 C ATOM 836 O LYS A 53 -23.005 -18.505 5.952 1.00 0.00 O ATOM 837 CB LYS A 53 -22.942 -21.363 7.837 1.00 0.00 C ATOM 838 CG LYS A 53 -23.489 -22.229 8.960 1.00 0.00 C ATOM 839 CD LYS A 53 -23.527 -23.697 8.567 1.00 0.00 C ATOM 840 CE LYS A 53 -22.193 -24.378 8.829 1.00 0.00 C ATOM 841 NZ LYS A 53 -22.275 -25.852 8.634 1.00 0.00 N ATOM 0 H LYS A 53 -24.802 -20.101 6.004 1.00 0.00 H new ATOM 0 HA LYS A 53 -23.827 -19.622 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -23.061 -21.892 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -21.872 -21.218 7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -22.871 -22.106 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -24.493 -21.896 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -24.312 -24.205 9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -23.781 -23.786 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -21.437 -23.965 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.870 -24.164 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.346 -26.279 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.978 -26.250 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -22.559 -26.057 7.655 1.00 0.00 H new ATOM 855 N LYS A 54 -21.547 -18.740 7.649 1.00 0.00 N ATOM 856 CA LYS A 54 -20.572 -17.813 7.083 1.00 0.00 C ATOM 857 C LYS A 54 -19.151 -18.325 7.296 1.00 0.00 C ATOM 858 O LYS A 54 -18.793 -18.759 8.391 1.00 0.00 O ATOM 859 CB LYS A 54 -20.729 -16.428 7.714 1.00 0.00 C ATOM 860 CG LYS A 54 -20.665 -15.292 6.707 1.00 0.00 C ATOM 861 CD LYS A 54 -20.773 -13.937 7.386 1.00 0.00 C ATOM 862 CE LYS A 54 -19.504 -13.591 8.150 1.00 0.00 C ATOM 863 NZ LYS A 54 -18.755 -12.475 7.508 1.00 0.00 N ATOM 0 H LYS A 54 -21.271 -19.150 8.542 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.756 -17.738 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.683 -16.383 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -19.947 -16.286 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -19.728 -15.348 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -21.471 -15.402 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.969 -13.169 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -21.621 -13.939 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.760 -13.315 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.864 -14.471 8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.897 -12.270 8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.488 -12.747 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.356 -11.627 7.475 1.00 0.00 H new ATOM 877 N GLU A 55 -18.344 -18.272 6.241 1.00 0.00 N ATOM 878 CA GLU A 55 -16.961 -18.731 6.311 1.00 0.00 C ATOM 879 C GLU A 55 -16.006 -17.667 5.781 1.00 0.00 C ATOM 880 O GLU A 55 -16.060 -17.302 4.605 1.00 0.00 O ATOM 881 CB GLU A 55 -16.791 -20.028 5.519 1.00 0.00 C ATOM 882 CG GLU A 55 -15.606 -20.867 5.973 1.00 0.00 C ATOM 883 CD GLU A 55 -15.267 -21.973 4.993 1.00 0.00 C ATOM 884 OE1 GLU A 55 -16.078 -22.912 4.854 1.00 0.00 O ATOM 885 OE2 GLU A 55 -14.189 -21.899 4.365 1.00 0.00 O ATOM 0 H GLU A 55 -18.624 -17.916 5.327 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.720 -18.919 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.701 -20.621 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.671 -19.786 4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.737 -20.222 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.827 -21.304 6.947 1.00 0.00 H new ATOM 892 N VAL A 56 -15.133 -17.174 6.652 1.00 0.00 N ATOM 893 CA VAL A 56 -14.166 -16.152 6.270 1.00 0.00 C ATOM 894 C VAL A 56 -12.749 -16.715 6.260 1.00 0.00 C ATOM 895 O VAL A 56 -12.242 -17.167 7.287 1.00 0.00 O ATOM 896 CB VAL A 56 -14.220 -14.944 7.222 1.00 0.00 C ATOM 897 CG1 VAL A 56 -15.489 -14.137 6.991 1.00 0.00 C ATOM 898 CG2 VAL A 56 -14.122 -15.398 8.672 1.00 0.00 C ATOM 0 H VAL A 56 -15.075 -17.466 7.628 1.00 0.00 H new ATOM 0 HA VAL A 56 -14.432 -15.824 5.265 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.366 -14.301 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -15.509 -13.287 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -15.509 -13.777 5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -16.359 -14.768 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.162 -14.529 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -14.953 -16.065 8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.181 -15.926 8.825 1.00 0.00 H new ATOM 908 N VAL A 57 -12.114 -16.686 5.094 1.00 0.00 N ATOM 909 CA VAL A 57 -10.754 -17.193 4.950 1.00 0.00 C ATOM 910 C VAL A 57 -9.812 -16.101 4.456 1.00 0.00 C ATOM 911 O VAL A 57 -10.250 -15.099 3.892 1.00 0.00 O ATOM 912 CB VAL A 57 -10.697 -18.383 3.974 1.00 0.00 C ATOM 913 CG1 VAL A 57 -9.336 -19.059 4.035 1.00 0.00 C ATOM 914 CG2 VAL A 57 -11.806 -19.379 4.276 1.00 0.00 C ATOM 0 H VAL A 57 -12.519 -16.317 4.234 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.435 -17.528 5.937 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.846 -18.004 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.315 -19.897 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.561 -18.342 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.155 -19.423 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.748 -20.212 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.692 -19.752 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.774 -18.887 4.176 1.00 0.00 H new ATOM 924 N ARG A 58 -8.516 -16.300 4.673 1.00 0.00 N ATOM 925 CA ARG A 58 -7.513 -15.330 4.248 1.00 0.00 C ATOM 926 C ARG A 58 -6.219 -16.023 3.841 1.00 0.00 C ATOM 927 O ARG A 58 -5.901 -17.109 4.328 1.00 0.00 O ATOM 928 CB ARG A 58 -7.238 -14.327 5.371 1.00 0.00 C ATOM 929 CG ARG A 58 -8.383 -13.360 5.618 1.00 0.00 C ATOM 930 CD ARG A 58 -7.948 -12.188 6.485 1.00 0.00 C ATOM 931 NE ARG A 58 -8.329 -10.905 5.903 1.00 0.00 N ATOM 932 CZ ARG A 58 -8.406 -9.769 6.595 1.00 0.00 C ATOM 933 NH1 ARG A 58 -8.125 -9.754 7.891 1.00 0.00 N ATOM 934 NH2 ARG A 58 -8.763 -8.646 5.986 1.00 0.00 N ATOM 0 H ARG A 58 -8.136 -17.123 5.140 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.904 -14.798 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.030 -14.873 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.340 -13.759 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.759 -12.989 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.206 -13.886 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.395 -12.284 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.867 -12.218 6.619 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.549 -10.876 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.848 -10.615 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.186 -8.882 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.978 -8.653 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.822 -7.776 6.515 1.00 0.00 H new ATOM 948 N LYS A 59 -5.471 -15.387 2.944 1.00 0.00 N ATOM 949 CA LYS A 59 -4.207 -15.938 2.469 1.00 0.00 C ATOM 950 C LYS A 59 -3.149 -14.845 2.358 1.00 0.00 C ATOM 951 O LYS A 59 -3.041 -14.175 1.331 1.00 0.00 O ATOM 952 CB LYS A 59 -4.400 -16.619 1.114 1.00 0.00 C ATOM 953 CG LYS A 59 -5.472 -17.698 1.121 1.00 0.00 C ATOM 954 CD LYS A 59 -4.919 -19.042 0.671 1.00 0.00 C ATOM 955 CE LYS A 59 -4.138 -19.723 1.784 1.00 0.00 C ATOM 956 NZ LYS A 59 -2.947 -20.449 1.261 1.00 0.00 N ATOM 0 H LYS A 59 -5.719 -14.488 2.531 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.865 -16.679 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.661 -15.865 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.454 -17.061 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.887 -17.793 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.290 -17.403 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.739 -19.686 0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.272 -18.899 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.818 -18.978 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.789 -20.423 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.441 -20.900 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.254 -21.177 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.314 -19.777 0.782 1.00 0.00 H new ATOM 970 N LYS A 60 -2.373 -14.669 3.422 1.00 0.00 N ATOM 971 CA LYS A 60 -1.324 -13.656 3.446 1.00 0.00 C ATOM 972 C LYS A 60 -0.314 -13.888 2.326 1.00 0.00 C ATOM 973 O LYS A 60 0.553 -14.756 2.431 1.00 0.00 O ATOM 974 CB LYS A 60 -0.615 -13.659 4.800 1.00 0.00 C ATOM 975 CG LYS A 60 -1.517 -13.281 5.963 1.00 0.00 C ATOM 976 CD LYS A 60 -1.395 -14.270 7.111 1.00 0.00 C ATOM 977 CE LYS A 60 -2.561 -15.245 7.137 1.00 0.00 C ATOM 978 NZ LYS A 60 -2.351 -16.339 8.125 1.00 0.00 N ATOM 0 H LYS A 60 -2.451 -15.215 4.280 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.790 -12.683 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.200 -14.651 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.224 -12.965 4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.259 -12.282 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.552 -13.243 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.460 -14.823 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.352 -13.728 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.478 -14.708 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.697 -15.674 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.169 -16.981 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.490 -16.869 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.247 -15.932 9.076 1.00 0.00 H new ATOM 992 N LEU A 61 -0.429 -13.104 1.259 1.00 0.00 N ATOM 993 CA LEU A 61 0.479 -13.223 0.124 1.00 0.00 C ATOM 994 C LEU A 61 1.854 -12.663 0.475 1.00 0.00 C ATOM 995 O LEU A 61 2.877 -13.305 0.234 1.00 0.00 O ATOM 996 CB LEU A 61 -0.089 -12.487 -1.092 1.00 0.00 C ATOM 997 CG LEU A 61 -1.423 -13.027 -1.609 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.856 -12.276 -2.858 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.321 -14.519 -1.891 1.00 0.00 C ATOM 0 H LEU A 61 -1.141 -12.381 1.157 1.00 0.00 H new ATOM 0 HA LEU A 61 0.584 -14.280 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.215 -11.435 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.642 -12.533 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.178 -12.873 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.807 -12.675 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.970 -11.217 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.101 -12.397 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.279 -14.886 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.552 -14.695 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.058 -15.046 -0.974 1.00 0.00 H new ATOM 1011 N PHE A 62 1.868 -11.466 1.051 1.00 0.00 N ATOM 1012 CA PHE A 62 3.113 -10.819 1.444 1.00 0.00 C ATOM 1013 C PHE A 62 3.162 -10.631 2.962 1.00 0.00 C ATOM 1014 O PHE A 62 2.730 -9.604 3.483 1.00 0.00 O ATOM 1015 CB PHE A 62 3.260 -9.466 0.741 1.00 0.00 C ATOM 1016 CG PHE A 62 2.896 -9.499 -0.718 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.581 -9.682 -1.117 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.871 -9.343 -1.691 1.00 0.00 C ATOM 1019 CE1 PHE A 62 1.245 -9.708 -2.458 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.542 -9.369 -3.033 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.226 -9.551 -3.418 1.00 0.00 C ATOM 0 H PHE A 62 1.029 -10.924 1.256 1.00 0.00 H new ATOM 0 HA PHE A 62 3.942 -11.460 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.631 -8.734 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.290 -9.125 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.810 -9.806 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.900 -9.199 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.216 -9.851 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.312 -9.247 -3.781 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.966 -9.570 -4.466 1.00 0.00 H new ATOM 1031 N PRO A 63 3.680 -11.634 3.690 1.00 0.00 N ATOM 1032 CA PRO A 63 3.774 -11.584 5.154 1.00 0.00 C ATOM 1033 C PRO A 63 4.519 -10.352 5.656 1.00 0.00 C ATOM 1034 O PRO A 63 5.654 -10.092 5.258 1.00 0.00 O ATOM 1035 CB PRO A 63 4.551 -12.856 5.507 1.00 0.00 C ATOM 1036 CG PRO A 63 4.319 -13.777 4.361 1.00 0.00 C ATOM 1037 CD PRO A 63 4.206 -12.901 3.146 1.00 0.00 C ATOM 0 HA PRO A 63 2.789 -11.524 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.613 -12.647 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.195 -13.290 6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.141 -14.486 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.411 -14.361 4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.172 -12.760 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.534 -13.329 2.402 1.00 0.00 H new ATOM 1045 N GLY A 64 3.872 -9.601 6.543 1.00 0.00 N ATOM 1046 CA GLY A 64 4.485 -8.409 7.102 1.00 0.00 C ATOM 1047 C GLY A 64 4.631 -7.286 6.094 1.00 0.00 C ATOM 1048 O GLY A 64 5.605 -6.536 6.133 1.00 0.00 O ATOM 0 H GLY A 64 2.931 -9.798 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.885 -8.059 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.468 -8.665 7.497 1.00 0.00 H new ATOM 1052 N TYR A 65 3.661 -7.162 5.193 1.00 0.00 N ATOM 1053 CA TYR A 65 3.696 -6.113 4.179 1.00 0.00 C ATOM 1054 C TYR A 65 2.404 -5.299 4.188 1.00 0.00 C ATOM 1055 O TYR A 65 1.397 -5.719 4.757 1.00 0.00 O ATOM 1056 CB TYR A 65 3.918 -6.717 2.791 1.00 0.00 C ATOM 1057 CG TYR A 65 5.375 -6.887 2.423 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.228 -7.645 3.216 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.895 -6.291 1.282 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.561 -7.803 2.880 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.226 -6.445 0.941 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.052 -7.201 1.742 1.00 0.00 C ATOM 1063 OH TYR A 65 9.377 -7.358 1.404 1.00 0.00 O ATOM 0 H TYR A 65 2.845 -7.772 5.144 1.00 0.00 H new ATOM 0 HA TYR A 65 4.527 -5.448 4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.426 -7.689 2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.437 -6.081 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.845 -8.118 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.250 -5.698 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.213 -8.395 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.616 -5.974 0.050 1.00 0.00 H new ATOM 0 HH TYR A 65 9.907 -6.645 1.818 1.00 0.00 H new ATOM 1073 N LEU A 66 2.443 -4.133 3.550 1.00 0.00 N ATOM 1074 CA LEU A 66 1.281 -3.255 3.475 1.00 0.00 C ATOM 1075 C LEU A 66 1.350 -2.384 2.225 1.00 0.00 C ATOM 1076 O LEU A 66 2.304 -1.632 2.038 1.00 0.00 O ATOM 1077 CB LEU A 66 1.199 -2.373 4.726 1.00 0.00 C ATOM 1078 CG LEU A 66 0.086 -2.740 5.708 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.600 -3.712 6.759 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.479 -1.490 6.363 1.00 0.00 C ATOM 0 H LEU A 66 3.271 -3.773 3.076 1.00 0.00 H new ATOM 0 HA LEU A 66 0.385 -3.874 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.154 -2.422 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.059 -1.338 4.413 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.716 -3.229 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.206 -3.962 7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.955 -4.620 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.420 -3.252 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.270 -1.770 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.314 -0.973 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.886 -0.830 5.597 1.00 0.00 H new ATOM 1092 N PHE A 67 0.341 -2.499 1.365 1.00 0.00 N ATOM 1093 CA PHE A 67 0.301 -1.725 0.127 1.00 0.00 C ATOM 1094 C PHE A 67 -0.505 -0.439 0.295 1.00 0.00 C ATOM 1095 O PHE A 67 -1.569 -0.436 0.913 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.293 -2.567 -1.003 1.00 0.00 C ATOM 1097 CG PHE A 67 0.378 -3.900 -1.187 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.729 -4.059 -0.915 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.344 -4.994 -1.635 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.345 -5.286 -1.084 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.266 -6.221 -1.807 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.612 -6.367 -1.532 1.00 0.00 C ATOM 0 H PHE A 67 -0.458 -3.119 1.502 1.00 0.00 H new ATOM 0 HA PHE A 67 1.325 -1.450 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.352 -2.729 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.226 -2.006 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.306 -3.215 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.396 -4.886 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.397 -5.398 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.309 -7.066 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.090 -7.326 -1.667 1.00 0.00 H new ATOM 1112 N ILE A 68 0.012 0.648 -0.271 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.654 1.944 -0.198 1.00 0.00 C ATOM 1114 C ILE A 68 -0.511 2.706 -1.511 1.00 0.00 C ATOM 1115 O ILE A 68 0.596 3.062 -1.914 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.084 2.817 0.941 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.179 1.975 2.190 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.037 3.959 1.257 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.598 1.454 2.277 1.00 0.00 C ATOM 0 H ILE A 68 0.892 0.656 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.706 1.742 0.001 1.00 0.00 H new ATOM 0 HB ILE A 68 0.866 3.238 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.035 2.575 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.511 1.131 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.623 4.566 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.172 4.576 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.000 3.554 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.714 0.865 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.809 0.828 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.293 2.293 2.296 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.634 2.956 -2.178 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.624 3.680 -3.444 1.00 0.00 C ATOM 1133 C GLN A 69 -1.541 5.183 -3.203 1.00 0.00 C ATOM 1134 O GLN A 69 -2.483 5.923 -3.492 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.876 3.353 -4.257 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.669 3.466 -5.757 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.953 3.267 -6.540 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.973 4.050 -6.210 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -4.026 2.420 -7.430 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.561 2.668 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.745 3.366 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.201 2.340 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.680 4.025 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.254 4.447 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.935 2.726 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.216 1.840 -7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.896 2.298 -7.948 1.00 0.00 H new ATOM 1148 N MET A 70 -0.409 5.625 -2.668 1.00 0.00 N ATOM 1149 CA MET A 70 -0.199 7.041 -2.385 1.00 0.00 C ATOM 1150 C MET A 70 0.452 7.744 -3.574 1.00 0.00 C ATOM 1151 O MET A 70 0.586 7.164 -4.652 1.00 0.00 O ATOM 1152 CB MET A 70 0.658 7.215 -1.128 1.00 0.00 C ATOM 1153 CG MET A 70 2.043 6.600 -1.236 1.00 0.00 C ATOM 1154 SD MET A 70 2.697 6.077 0.360 1.00 0.00 S ATOM 1155 CE MET A 70 3.847 7.404 0.708 1.00 0.00 C ATOM 0 H MET A 70 0.378 5.024 -2.421 1.00 0.00 H new ATOM 0 HA MET A 70 -1.172 7.499 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.760 8.279 -0.914 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.138 6.768 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.004 5.742 -1.907 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.724 7.324 -1.684 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.860 7.004 0.757 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.790 8.152 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.592 7.865 1.662 1.00 0.00 H new ATOM 1165 N ASP A 71 0.860 8.993 -3.369 1.00 0.00 N ATOM 1166 CA ASP A 71 1.501 9.772 -4.422 1.00 0.00 C ATOM 1167 C ASP A 71 2.513 10.748 -3.833 1.00 0.00 C ATOM 1168 O ASP A 71 2.149 11.817 -3.343 1.00 0.00 O ATOM 1169 CB ASP A 71 0.453 10.535 -5.233 1.00 0.00 C ATOM 1170 CG ASP A 71 -0.391 11.453 -4.373 1.00 0.00 C ATOM 1171 OD1 ASP A 71 -0.520 11.180 -3.161 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.923 12.448 -4.912 1.00 0.00 O ATOM 0 H ASP A 71 0.758 9.487 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 71 2.027 9.082 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.952 11.122 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.195 9.823 -5.744 1.00 0.00 H new ATOM 1177 N LEU A 72 3.788 10.372 -3.879 1.00 0.00 N ATOM 1178 CA LEU A 72 4.852 11.215 -3.345 1.00 0.00 C ATOM 1179 C LEU A 72 5.432 12.117 -4.430 1.00 0.00 C ATOM 1180 O LEU A 72 5.232 13.332 -4.412 1.00 0.00 O ATOM 1181 CB LEU A 72 5.961 10.350 -2.740 1.00 0.00 C ATOM 1182 CG LEU A 72 5.500 9.378 -1.651 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.425 8.173 -1.585 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.438 10.080 -0.303 1.00 0.00 C ATOM 0 H LEU A 72 4.109 9.491 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 72 4.423 11.845 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.433 9.779 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.725 11.005 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 72 4.499 9.028 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.082 7.493 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.419 7.657 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.438 8.504 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.108 9.375 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.427 10.459 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.734 10.911 -0.357 1.00 0.00 H new ATOM 1196 N GLY A 73 6.150 11.518 -5.375 1.00 0.00 N ATOM 1197 CA GLY A 73 6.747 12.285 -6.451 1.00 0.00 C ATOM 1198 C GLY A 73 8.161 12.734 -6.131 1.00 0.00 C ATOM 1199 O GLY A 73 9.066 12.583 -6.949 1.00 0.00 O ATOM 0 H GLY A 73 6.329 10.515 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.758 11.683 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.129 13.159 -6.655 1.00 0.00 H new ATOM 1203 N ASP A 74 8.347 13.286 -4.936 1.00 0.00 N ATOM 1204 CA ASP A 74 9.660 13.758 -4.510 1.00 0.00 C ATOM 1205 C ASP A 74 10.593 12.587 -4.219 1.00 0.00 C ATOM 1206 O ASP A 74 10.147 11.504 -3.837 1.00 0.00 O ATOM 1207 CB ASP A 74 9.528 14.640 -3.267 1.00 0.00 C ATOM 1208 CG ASP A 74 10.492 15.810 -3.283 1.00 0.00 C ATOM 1209 OD1 ASP A 74 10.212 16.800 -3.992 1.00 0.00 O ATOM 1210 OD2 ASP A 74 11.527 15.736 -2.590 1.00 0.00 O ATOM 0 H ASP A 74 7.607 13.417 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 74 10.088 14.346 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.507 15.015 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.707 14.037 -2.377 1.00 0.00 H new ATOM 1215 N GLU A 75 11.890 12.810 -4.404 1.00 0.00 N ATOM 1216 CA GLU A 75 12.887 11.772 -4.163 1.00 0.00 C ATOM 1217 C GLU A 75 13.822 12.166 -3.025 1.00 0.00 C ATOM 1218 O GLU A 75 14.241 11.321 -2.232 1.00 0.00 O ATOM 1219 CB GLU A 75 13.695 11.508 -5.434 1.00 0.00 C ATOM 1220 CG GLU A 75 14.177 10.071 -5.561 1.00 0.00 C ATOM 1221 CD GLU A 75 14.193 9.587 -6.997 1.00 0.00 C ATOM 1222 OE1 GLU A 75 13.208 9.842 -7.721 1.00 0.00 O ATOM 1223 OE2 GLU A 75 15.191 8.952 -7.398 1.00 0.00 O ATOM 0 H GLU A 75 12.276 13.700 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 75 12.363 10.860 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.083 11.755 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 75 14.557 12.175 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.180 9.990 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.532 9.421 -4.970 1.00 0.00 H new ATOM 1230 N GLU A 76 14.148 13.450 -2.950 1.00 0.00 N ATOM 1231 CA GLU A 76 15.036 13.955 -1.909 1.00 0.00 C ATOM 1232 C GLU A 76 14.389 13.832 -0.534 1.00 0.00 C ATOM 1233 O GLU A 76 15.041 13.457 0.441 1.00 0.00 O ATOM 1234 CB GLU A 76 15.405 15.414 -2.184 1.00 0.00 C ATOM 1235 CG GLU A 76 16.838 15.760 -1.812 1.00 0.00 C ATOM 1236 CD GLU A 76 17.833 15.347 -2.880 1.00 0.00 C ATOM 1237 OE1 GLU A 76 17.499 15.461 -4.078 1.00 0.00 O ATOM 1238 OE2 GLU A 76 18.945 14.910 -2.517 1.00 0.00 O ATOM 0 H GLU A 76 13.811 14.162 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 76 15.944 13.351 -1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.252 15.625 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.728 16.062 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.917 16.834 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.094 15.270 -0.873 1.00 0.00 H new ATOM 1245 N GLU A 77 13.103 14.151 -0.465 1.00 0.00 N ATOM 1246 CA GLU A 77 12.363 14.078 0.788 1.00 0.00 C ATOM 1247 C GLU A 77 10.857 14.010 0.528 1.00 0.00 C ATOM 1248 O GLU A 77 10.293 14.894 -0.116 1.00 0.00 O ATOM 1249 CB GLU A 77 12.689 15.288 1.668 1.00 0.00 C ATOM 1250 CG GLU A 77 13.292 14.918 3.014 1.00 0.00 C ATOM 1251 CD GLU A 77 12.240 14.543 4.040 1.00 0.00 C ATOM 1252 OE1 GLU A 77 11.259 15.299 4.190 1.00 0.00 O ATOM 1253 OE2 GLU A 77 12.399 13.490 4.693 1.00 0.00 O ATOM 0 H GLU A 77 12.550 14.463 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 77 12.664 13.169 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.383 15.938 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.778 15.862 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.980 14.083 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.877 15.758 3.389 1.00 0.00 H new ATOM 1260 N PRO A 78 10.182 12.958 1.026 1.00 0.00 N ATOM 1261 CA PRO A 78 8.737 12.791 0.838 1.00 0.00 C ATOM 1262 C PRO A 78 7.928 13.773 1.676 1.00 0.00 C ATOM 1263 O PRO A 78 8.477 14.495 2.508 1.00 0.00 O ATOM 1264 CB PRO A 78 8.484 11.357 1.301 1.00 0.00 C ATOM 1265 CG PRO A 78 9.565 11.085 2.288 1.00 0.00 C ATOM 1266 CD PRO A 78 10.767 11.852 1.808 1.00 0.00 C ATOM 0 HA PRO A 78 8.434 12.980 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.498 11.255 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.525 10.658 0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.271 11.406 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.781 10.018 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.365 12.222 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.421 11.231 1.197 1.00 0.00 H new ATOM 1274 N ASN A 79 6.618 13.796 1.452 1.00 0.00 N ATOM 1275 CA ASN A 79 5.732 14.690 2.189 1.00 0.00 C ATOM 1276 C ASN A 79 5.660 14.290 3.660 1.00 0.00 C ATOM 1277 O ASN A 79 6.250 13.293 4.071 1.00 0.00 O ATOM 1278 CB ASN A 79 4.331 14.672 1.573 1.00 0.00 C ATOM 1279 CG ASN A 79 3.599 15.987 1.759 1.00 0.00 C ATOM 1280 OD1 ASN A 79 2.469 16.019 2.242 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.243 17.084 1.374 1.00 0.00 N ATOM 0 H ASN A 79 6.147 13.206 0.766 1.00 0.00 H new ATOM 0 HA ASN A 79 6.136 15.700 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.408 14.450 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.749 13.869 2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.800 17.997 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.180 17.013 0.978 1.00 0.00 H new ATOM 1288 N GLU A 80 4.934 15.078 4.448 1.00 0.00 N ATOM 1289 CA GLU A 80 4.785 14.807 5.872 1.00 0.00 C ATOM 1290 C GLU A 80 4.194 13.419 6.113 1.00 0.00 C ATOM 1291 O GLU A 80 4.345 12.851 7.194 1.00 0.00 O ATOM 1292 CB GLU A 80 3.898 15.871 6.523 1.00 0.00 C ATOM 1293 CG GLU A 80 3.780 15.725 8.031 1.00 0.00 C ATOM 1294 CD GLU A 80 3.299 16.995 8.704 1.00 0.00 C ATOM 1295 OE1 GLU A 80 2.353 17.622 8.184 1.00 0.00 O ATOM 1296 OE2 GLU A 80 3.870 17.363 9.753 1.00 0.00 O ATOM 0 H GLU A 80 4.440 15.909 4.123 1.00 0.00 H new ATOM 0 HA GLU A 80 5.776 14.838 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.300 16.858 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.902 15.821 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.090 14.913 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.750 15.445 8.442 1.00 0.00 H new ATOM 1303 N ALA A 81 3.520 12.879 5.101 1.00 0.00 N ATOM 1304 CA ALA A 81 2.907 11.557 5.208 1.00 0.00 C ATOM 1305 C ALA A 81 3.922 10.512 5.662 1.00 0.00 C ATOM 1306 O ALA A 81 3.659 9.738 6.583 1.00 0.00 O ATOM 1307 CB ALA A 81 2.293 11.152 3.876 1.00 0.00 C ATOM 0 H ALA A 81 3.384 13.335 4.199 1.00 0.00 H new ATOM 0 HA ALA A 81 2.120 11.610 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.840 10.165 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.530 11.877 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.069 11.124 3.111 1.00 0.00 H new ATOM 1313 N TRP A 82 5.080 10.495 5.011 1.00 0.00 N ATOM 1314 CA TRP A 82 6.131 9.543 5.350 1.00 0.00 C ATOM 1315 C TRP A 82 6.568 9.709 6.802 1.00 0.00 C ATOM 1316 O TRP A 82 6.845 8.730 7.493 1.00 0.00 O ATOM 1317 CB TRP A 82 7.332 9.722 4.419 1.00 0.00 C ATOM 1318 CG TRP A 82 8.250 8.539 4.401 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.606 8.551 4.566 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.882 7.170 4.206 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.102 7.273 4.487 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.064 6.406 4.266 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.667 6.512 3.988 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.065 5.022 4.116 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.670 5.138 3.838 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.862 4.406 3.904 1.00 0.00 C ATOM 0 H TRP A 82 5.314 11.129 4.247 1.00 0.00 H new ATOM 0 HA TRP A 82 5.730 8.537 5.223 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.973 9.910 3.407 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.893 10.604 4.727 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.201 9.436 4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.084 7.011 4.578 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.742 7.068 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.983 4.455 4.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.738 4.620 3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.831 3.333 3.785 1.00 0.00 H new ATOM 1337 N GLU A 83 6.629 10.958 7.257 1.00 0.00 N ATOM 1338 CA GLU A 83 7.029 11.251 8.629 1.00 0.00 C ATOM 1339 C GLU A 83 6.082 10.588 9.622 1.00 0.00 C ATOM 1340 O GLU A 83 6.485 10.205 10.720 1.00 0.00 O ATOM 1341 CB GLU A 83 7.058 12.763 8.862 1.00 0.00 C ATOM 1342 CG GLU A 83 8.369 13.415 8.456 1.00 0.00 C ATOM 1343 CD GLU A 83 9.316 13.599 9.627 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.973 14.363 10.554 1.00 0.00 O ATOM 1345 OE2 GLU A 83 10.400 12.978 9.617 1.00 0.00 O ATOM 0 H GLU A 83 6.407 11.781 6.697 1.00 0.00 H new ATOM 0 HA GLU A 83 8.030 10.849 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.244 13.224 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.874 12.963 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.854 12.804 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.163 14.385 8.004 1.00 0.00 H new ATOM 1352 N VAL A 84 4.821 10.453 9.227 1.00 0.00 N ATOM 1353 CA VAL A 84 3.814 9.832 10.080 1.00 0.00 C ATOM 1354 C VAL A 84 3.816 8.318 9.911 1.00 0.00 C ATOM 1355 O VAL A 84 3.890 7.573 10.889 1.00 0.00 O ATOM 1356 CB VAL A 84 2.405 10.369 9.769 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.401 9.862 10.792 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.410 11.890 9.726 1.00 0.00 C ATOM 0 H VAL A 84 4.471 10.765 8.321 1.00 0.00 H new ATOM 0 HA VAL A 84 4.070 10.083 11.109 1.00 0.00 H new ATOM 0 HB VAL A 84 2.106 10.001 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.411 10.252 10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.376 8.773 10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.695 10.197 11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.406 12.251 9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.732 12.280 10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.097 12.230 8.951 1.00 0.00 H new ATOM 1368 N VAL A 85 3.737 7.867 8.662 1.00 0.00 N ATOM 1369 CA VAL A 85 3.734 6.441 8.364 1.00 0.00 C ATOM 1370 C VAL A 85 5.038 5.787 8.805 1.00 0.00 C ATOM 1371 O VAL A 85 5.031 4.755 9.474 1.00 0.00 O ATOM 1372 CB VAL A 85 3.525 6.181 6.861 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.344 4.694 6.594 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.333 6.972 6.342 1.00 0.00 C ATOM 0 H VAL A 85 3.674 8.470 7.841 1.00 0.00 H new ATOM 0 HA VAL A 85 2.904 6.003 8.919 1.00 0.00 H new ATOM 0 HB VAL A 85 4.415 6.516 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.198 4.531 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.231 4.154 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.473 4.330 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.201 6.775 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.434 6.671 6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.508 8.037 6.495 1.00 0.00 H new ATOM 1384 N ARG A 86 6.156 6.396 8.429 1.00 0.00 N ATOM 1385 CA ARG A 86 7.469 5.872 8.790 1.00 0.00 C ATOM 1386 C ARG A 86 7.763 6.082 10.274 1.00 0.00 C ATOM 1387 O ARG A 86 8.748 5.560 10.796 1.00 0.00 O ATOM 1388 CB ARG A 86 8.557 6.539 7.944 1.00 0.00 C ATOM 1389 CG ARG A 86 9.861 5.759 7.910 1.00 0.00 C ATOM 1390 CD ARG A 86 11.033 6.600 8.391 1.00 0.00 C ATOM 1391 NE ARG A 86 11.040 6.747 9.845 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.112 7.106 10.548 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.264 7.356 9.939 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.031 7.217 11.867 1.00 0.00 N ATOM 0 H ARG A 86 6.181 7.252 7.875 1.00 0.00 H new ATOM 0 HA ARG A 86 7.465 4.800 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.190 6.662 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.750 7.538 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.770 4.871 8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.053 5.415 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.967 6.139 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.987 7.585 7.927 1.00 0.00 H new ATOM 0 HE ARG A 86 10.173 6.564 10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.333 7.274 8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.081 7.631 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.148 7.027 12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.851 7.492 12.407 1.00 0.00 H new ATOM 1408 N GLY A 87 6.913 6.851 10.952 1.00 0.00 N ATOM 1409 CA GLY A 87 7.115 7.110 12.365 1.00 0.00 C ATOM 1410 C GLY A 87 5.866 6.872 13.194 1.00 0.00 C ATOM 1411 O GLY A 87 5.721 7.438 14.278 1.00 0.00 O ATOM 0 H GLY A 87 6.090 7.298 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.917 6.472 12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.441 8.142 12.497 1.00 0.00 H new ATOM 1415 N THR A 88 4.966 6.033 12.690 1.00 0.00 N ATOM 1416 CA THR A 88 3.730 5.730 13.404 1.00 0.00 C ATOM 1417 C THR A 88 3.996 4.764 14.560 1.00 0.00 C ATOM 1418 O THR A 88 4.843 3.876 14.454 1.00 0.00 O ATOM 1419 CB THR A 88 2.690 5.136 12.452 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.304 4.656 11.268 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.619 6.126 12.044 1.00 0.00 C ATOM 0 H THR A 88 5.068 5.553 11.796 1.00 0.00 H new ATOM 0 HA THR A 88 3.339 6.662 13.812 1.00 0.00 H new ATOM 0 HB THR A 88 2.222 4.324 13.009 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.619 5.414 10.732 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.914 5.641 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.091 6.476 12.931 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.081 6.974 11.538 1.00 0.00 H new ATOM 1429 N PRO A 89 3.275 4.929 15.683 1.00 0.00 N ATOM 1430 CA PRO A 89 3.441 4.072 16.862 1.00 0.00 C ATOM 1431 C PRO A 89 3.373 2.587 16.524 1.00 0.00 C ATOM 1432 O PRO A 89 2.290 2.007 16.441 1.00 0.00 O ATOM 1433 CB PRO A 89 2.265 4.469 17.756 1.00 0.00 C ATOM 1434 CG PRO A 89 1.952 5.871 17.366 1.00 0.00 C ATOM 1435 CD PRO A 89 2.248 5.966 15.895 1.00 0.00 C ATOM 0 HA PRO A 89 4.417 4.209 17.327 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.409 3.813 17.599 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.529 4.401 18.811 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.908 6.109 17.570 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.557 6.578 17.933 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.358 5.779 15.294 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.615 6.956 15.622 1.00 0.00 H new ATOM 1443 N GLY A 90 4.538 1.973 16.341 1.00 0.00 N ATOM 1444 CA GLY A 90 4.592 0.557 16.027 1.00 0.00 C ATOM 1445 C GLY A 90 4.314 0.261 14.566 1.00 0.00 C ATOM 1446 O GLY A 90 3.457 -0.563 14.247 1.00 0.00 O ATOM 0 H GLY A 90 5.447 2.432 16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.577 0.170 16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.867 0.026 16.644 1.00 0.00 H new ATOM 1450 N ILE A 91 5.043 0.925 13.674 1.00 0.00 N ATOM 1451 CA ILE A 91 4.869 0.714 12.242 1.00 0.00 C ATOM 1452 C ILE A 91 5.970 -0.187 11.684 1.00 0.00 C ATOM 1453 O ILE A 91 5.762 -0.906 10.707 1.00 0.00 O ATOM 1454 CB ILE A 91 4.845 2.052 11.471 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.472 1.817 9.999 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.182 2.776 11.595 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.614 1.313 9.138 1.00 0.00 C ATOM 0 H ILE A 91 5.757 1.611 13.917 1.00 0.00 H new ATOM 0 HA ILE A 91 3.906 0.222 12.104 1.00 0.00 H new ATOM 0 HB ILE A 91 4.082 2.692 11.914 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.654 1.098 9.954 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.099 2.751 9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.140 3.715 11.044 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.389 2.981 12.645 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.974 2.150 11.185 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.264 1.174 8.115 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.426 2.040 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.974 0.362 9.531 1.00 0.00 H new ATOM 1469 N THR A 92 7.139 -0.148 12.319 1.00 0.00 N ATOM 1470 CA THR A 92 8.276 -0.966 11.900 1.00 0.00 C ATOM 1471 C THR A 92 8.550 -0.818 10.402 1.00 0.00 C ATOM 1472 O THR A 92 8.656 -1.810 9.681 1.00 0.00 O ATOM 1473 CB THR A 92 8.023 -2.435 12.242 1.00 0.00 C ATOM 1474 OG1 THR A 92 7.499 -2.562 13.552 1.00 0.00 O ATOM 1475 CG2 THR A 92 9.268 -3.292 12.160 1.00 0.00 C ATOM 0 H THR A 92 7.325 0.444 13.129 1.00 0.00 H new ATOM 0 HA THR A 92 9.156 -0.616 12.440 1.00 0.00 H new ATOM 0 HB THR A 92 7.310 -2.786 11.496 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.560 -2.838 13.503 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.018 -4.322 12.414 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.669 -3.255 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.015 -2.916 12.859 1.00 0.00 H new ATOM 1483 N GLY A 93 8.669 0.424 9.943 1.00 0.00 N ATOM 1484 CA GLY A 93 8.934 0.675 8.537 1.00 0.00 C ATOM 1485 C GLY A 93 10.121 -0.115 8.021 1.00 0.00 C ATOM 1486 O GLY A 93 11.216 -0.040 8.579 1.00 0.00 O ATOM 0 H GLY A 93 8.587 1.262 10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.050 0.420 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.118 1.739 8.389 1.00 0.00 H new ATOM 1490 N PHE A 94 9.902 -0.876 6.956 1.00 0.00 N ATOM 1491 CA PHE A 94 10.960 -1.690 6.366 1.00 0.00 C ATOM 1492 C PHE A 94 11.438 -2.752 7.349 1.00 0.00 C ATOM 1493 O PHE A 94 11.521 -2.506 8.552 1.00 0.00 O ATOM 1494 CB PHE A 94 12.132 -0.810 5.931 1.00 0.00 C ATOM 1495 CG PHE A 94 12.933 -1.394 4.803 1.00 0.00 C ATOM 1496 CD1 PHE A 94 14.014 -2.224 5.060 1.00 0.00 C ATOM 1497 CD2 PHE A 94 12.605 -1.116 3.486 1.00 0.00 C ATOM 1498 CE1 PHE A 94 14.751 -2.765 4.023 1.00 0.00 C ATOM 1499 CE2 PHE A 94 13.340 -1.653 2.446 1.00 0.00 C ATOM 1500 CZ PHE A 94 14.414 -2.479 2.715 1.00 0.00 C ATOM 0 H PHE A 94 9.001 -0.947 6.482 1.00 0.00 H new ATOM 0 HA PHE A 94 10.552 -2.191 5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.751 0.165 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 94 12.789 -0.645 6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 94 14.283 -2.450 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.765 -0.472 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 94 15.590 -3.411 4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.075 -1.427 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 94 14.989 -2.900 1.904 1.00 0.00 H new ATOM 1510 N VAL A 95 11.748 -3.938 6.830 1.00 0.00 N ATOM 1511 CA VAL A 95 12.214 -5.045 7.665 1.00 0.00 C ATOM 1512 C VAL A 95 13.312 -4.598 8.630 1.00 0.00 C ATOM 1513 O VAL A 95 13.139 -4.653 9.846 1.00 0.00 O ATOM 1514 CB VAL A 95 12.740 -6.229 6.820 1.00 0.00 C ATOM 1515 CG1 VAL A 95 11.607 -7.189 6.482 1.00 0.00 C ATOM 1516 CG2 VAL A 95 13.436 -5.741 5.554 1.00 0.00 C ATOM 0 H VAL A 95 11.685 -4.158 5.836 1.00 0.00 H new ATOM 0 HA VAL A 95 11.346 -5.378 8.235 1.00 0.00 H new ATOM 0 HB VAL A 95 13.479 -6.765 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.996 -8.016 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.172 -7.578 7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.841 -6.662 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 95 13.794 -6.597 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 95 12.732 -5.170 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 95 14.280 -5.107 5.824 1.00 0.00 H new ATOM 1526 N GLY A 96 14.441 -4.158 8.081 1.00 0.00 N ATOM 1527 CA GLY A 96 15.543 -3.714 8.912 1.00 0.00 C ATOM 1528 C GLY A 96 16.835 -3.568 8.132 1.00 0.00 C ATOM 1529 O GLY A 96 17.724 -4.414 8.226 1.00 0.00 O ATOM 0 H GLY A 96 14.611 -4.102 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.288 -2.758 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.691 -4.425 9.724 1.00 0.00 H new ATOM 1533 N ALA A 97 16.939 -2.491 7.359 1.00 0.00 N ATOM 1534 CA ALA A 97 18.131 -2.235 6.560 1.00 0.00 C ATOM 1535 C ALA A 97 18.095 -0.835 5.959 1.00 0.00 C ATOM 1536 O ALA A 97 19.042 -0.060 6.107 1.00 0.00 O ATOM 1537 CB ALA A 97 18.263 -3.280 5.463 1.00 0.00 C ATOM 0 H ALA A 97 16.211 -1.782 7.270 1.00 0.00 H new ATOM 0 HA ALA A 97 19.001 -2.299 7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 97 19.157 -3.078 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.341 -4.270 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.386 -3.242 4.817 1.00 0.00 H new ATOM 1543 N GLY A 98 16.999 -0.515 5.281 1.00 0.00 N ATOM 1544 CA GLY A 98 16.857 0.791 4.667 1.00 0.00 C ATOM 1545 C GLY A 98 15.610 1.517 5.131 1.00 0.00 C ATOM 1546 O GLY A 98 14.741 0.925 5.769 1.00 0.00 O ATOM 0 H GLY A 98 16.204 -1.139 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.734 1.396 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.826 0.678 3.583 1.00 0.00 H new ATOM 1550 N MET A 99 15.522 2.805 4.810 1.00 0.00 N ATOM 1551 CA MET A 99 14.371 3.612 5.200 1.00 0.00 C ATOM 1552 C MET A 99 13.519 3.972 3.985 1.00 0.00 C ATOM 1553 O MET A 99 12.321 4.224 4.110 1.00 0.00 O ATOM 1554 CB MET A 99 14.834 4.885 5.912 1.00 0.00 C ATOM 1555 CG MET A 99 14.086 5.165 7.205 1.00 0.00 C ATOM 1556 SD MET A 99 14.917 4.479 8.652 1.00 0.00 S ATOM 1557 CE MET A 99 13.514 4.054 9.679 1.00 0.00 C ATOM 0 H MET A 99 16.233 3.311 4.282 1.00 0.00 H new ATOM 0 HA MET A 99 13.760 3.023 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 99 15.899 4.803 6.129 1.00 0.00 H new ATOM 0 HB3 MET A 99 14.710 5.733 5.239 1.00 0.00 H new ATOM 0 HG2 MET A 99 13.976 6.242 7.331 1.00 0.00 H new ATOM 0 HG3 MET A 99 13.081 4.748 7.136 1.00 0.00 H new ATOM 0 HE1 MET A 99 13.554 4.628 10.605 1.00 0.00 H new ATOM 0 HE2 MET A 99 12.591 4.285 9.148 1.00 0.00 H new ATOM 0 HE3 MET A 99 13.542 2.989 9.911 1.00 0.00 H new ATOM 1567 N ARG A 100 14.142 3.997 2.811 1.00 0.00 N ATOM 1568 CA ARG A 100 13.439 4.328 1.578 1.00 0.00 C ATOM 1569 C ARG A 100 12.270 3.372 1.343 1.00 0.00 C ATOM 1570 O ARG A 100 12.390 2.167 1.571 1.00 0.00 O ATOM 1571 CB ARG A 100 14.402 4.281 0.388 1.00 0.00 C ATOM 1572 CG ARG A 100 14.631 5.635 -0.263 1.00 0.00 C ATOM 1573 CD ARG A 100 15.927 5.660 -1.057 1.00 0.00 C ATOM 1574 NE ARG A 100 15.798 6.428 -2.293 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.832 6.901 -2.984 1.00 0.00 C ATOM 1576 NH1 ARG A 100 18.073 6.687 -2.563 1.00 0.00 N ATOM 1577 NH2 ARG A 100 16.626 7.591 -4.097 1.00 0.00 N ATOM 0 H ARG A 100 15.134 3.792 2.688 1.00 0.00 H new ATOM 0 HA ARG A 100 13.043 5.339 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 100 15.359 3.881 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.011 3.590 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.795 5.869 -0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.658 6.409 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 100 16.719 6.090 -0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.226 4.639 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 100 14.860 6.613 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 100 18.237 6.158 -1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.862 7.052 -3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.675 7.759 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.419 7.953 -4.626 1.00 0.00 H new ATOM 1591 N PRO A 101 11.118 3.895 0.884 1.00 0.00 N ATOM 1592 CA PRO A 101 9.928 3.077 0.621 1.00 0.00 C ATOM 1593 C PRO A 101 10.218 1.915 -0.324 1.00 0.00 C ATOM 1594 O PRO A 101 11.374 1.622 -0.630 1.00 0.00 O ATOM 1595 CB PRO A 101 8.952 4.061 -0.031 1.00 0.00 C ATOM 1596 CG PRO A 101 9.390 5.402 0.445 1.00 0.00 C ATOM 1597 CD PRO A 101 10.883 5.322 0.585 1.00 0.00 C ATOM 0 HA PRO A 101 9.546 2.616 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.991 3.995 -1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 101 7.924 3.853 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.105 6.180 -0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.921 5.651 1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.390 5.631 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.248 5.966 1.385 1.00 0.00 H new ATOM 1605 N VAL A 102 9.159 1.254 -0.782 1.00 0.00 N ATOM 1606 CA VAL A 102 9.298 0.124 -1.694 1.00 0.00 C ATOM 1607 C VAL A 102 8.062 -0.026 -2.576 1.00 0.00 C ATOM 1608 O VAL A 102 7.125 -0.747 -2.230 1.00 0.00 O ATOM 1609 CB VAL A 102 9.528 -1.192 -0.925 1.00 0.00 C ATOM 1610 CG1 VAL A 102 9.859 -2.323 -1.888 1.00 0.00 C ATOM 1611 CG2 VAL A 102 10.631 -1.022 0.108 1.00 0.00 C ATOM 0 H VAL A 102 8.195 1.482 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 102 10.166 0.328 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 102 8.608 -1.450 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.018 -3.244 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.032 -2.461 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.764 -2.075 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.779 -1.962 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.557 -0.739 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.349 -0.244 0.817 1.00 0.00 H new ATOM 1621 N PRO A 103 8.041 0.655 -3.735 1.00 0.00 N ATOM 1622 CA PRO A 103 6.911 0.594 -4.667 1.00 0.00 C ATOM 1623 C PRO A 103 6.780 -0.772 -5.332 1.00 0.00 C ATOM 1624 O PRO A 103 7.773 -1.463 -5.556 1.00 0.00 O ATOM 1625 CB PRO A 103 7.246 1.666 -5.707 1.00 0.00 C ATOM 1626 CG PRO A 103 8.728 1.799 -5.654 1.00 0.00 C ATOM 1627 CD PRO A 103 9.116 1.537 -4.226 1.00 0.00 C ATOM 0 HA PRO A 103 5.959 0.756 -4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.911 1.371 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.756 2.611 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.208 1.087 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.042 2.795 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.092 1.057 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.173 2.460 -3.649 1.00 0.00 H new ATOM 1635 N LEU A 104 5.545 -1.157 -5.643 1.00 0.00 N ATOM 1636 CA LEU A 104 5.281 -2.441 -6.282 1.00 0.00 C ATOM 1637 C LEU A 104 5.314 -2.314 -7.801 1.00 0.00 C ATOM 1638 O LEU A 104 5.348 -1.208 -8.342 1.00 0.00 O ATOM 1639 CB LEU A 104 3.922 -2.985 -5.838 1.00 0.00 C ATOM 1640 CG LEU A 104 3.781 -3.234 -4.336 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.336 -3.060 -3.899 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.284 -4.627 -3.981 1.00 0.00 C ATOM 0 H LEU A 104 4.712 -0.597 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 104 6.064 -3.135 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.148 -2.283 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.733 -3.920 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 104 4.389 -2.501 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.256 -3.241 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.009 -2.044 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.706 -3.770 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.177 -4.790 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.701 -5.373 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.334 -4.716 -4.259 1.00 0.00 H new ATOM 1654 N SER A 105 5.301 -3.453 -8.484 1.00 0.00 N ATOM 1655 CA SER A 105 5.325 -3.473 -9.943 1.00 0.00 C ATOM 1656 C SER A 105 3.906 -3.450 -10.506 1.00 0.00 C ATOM 1657 O SER A 105 2.979 -3.974 -9.890 1.00 0.00 O ATOM 1658 CB SER A 105 6.066 -4.714 -10.445 1.00 0.00 C ATOM 1659 OG SER A 105 6.894 -4.400 -11.552 1.00 0.00 O ATOM 0 H SER A 105 5.274 -4.376 -8.051 1.00 0.00 H new ATOM 0 HA SER A 105 5.850 -2.582 -10.288 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.672 -5.130 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.346 -5.481 -10.731 1.00 0.00 H new ATOM 0 HG SER A 105 7.358 -5.209 -11.853 1.00 0.00 H new ATOM 1665 N PRO A 106 3.716 -2.839 -11.688 1.00 0.00 N ATOM 1666 CA PRO A 106 2.402 -2.752 -12.332 1.00 0.00 C ATOM 1667 C PRO A 106 1.754 -4.121 -12.509 1.00 0.00 C ATOM 1668 O PRO A 106 0.574 -4.304 -12.207 1.00 0.00 O ATOM 1669 CB PRO A 106 2.700 -2.117 -13.698 1.00 0.00 C ATOM 1670 CG PRO A 106 4.178 -2.223 -13.875 1.00 0.00 C ATOM 1671 CD PRO A 106 4.761 -2.192 -12.493 1.00 0.00 C ATOM 0 HA PRO A 106 1.697 -2.176 -11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.171 -2.638 -14.496 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.375 -1.077 -13.726 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.444 -3.146 -14.391 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.559 -1.399 -14.478 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.706 -2.732 -12.440 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.957 -1.173 -12.159 1.00 0.00 H new ATOM 1679 N ASP A 107 2.533 -5.081 -12.994 1.00 0.00 N ATOM 1680 CA ASP A 107 2.033 -6.434 -13.209 1.00 0.00 C ATOM 1681 C ASP A 107 1.656 -7.092 -11.883 1.00 0.00 C ATOM 1682 O ASP A 107 0.785 -7.960 -11.838 1.00 0.00 O ATOM 1683 CB ASP A 107 3.084 -7.280 -13.931 1.00 0.00 C ATOM 1684 CG ASP A 107 2.468 -8.223 -14.946 1.00 0.00 C ATOM 1685 OD1 ASP A 107 1.325 -8.672 -14.722 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.132 -8.515 -15.964 1.00 0.00 O ATOM 0 H ASP A 107 3.512 -4.948 -13.246 1.00 0.00 H new ATOM 0 HA ASP A 107 1.139 -6.370 -13.830 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.793 -6.622 -14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.648 -7.857 -13.198 1.00 0.00 H new ATOM 1691 N GLU A 108 2.319 -6.671 -10.811 1.00 0.00 N ATOM 1692 CA GLU A 108 2.052 -7.221 -9.485 1.00 0.00 C ATOM 1693 C GLU A 108 0.893 -6.491 -8.813 1.00 0.00 C ATOM 1694 O GLU A 108 0.078 -7.104 -8.125 1.00 0.00 O ATOM 1695 CB GLU A 108 3.303 -7.129 -8.611 1.00 0.00 C ATOM 1696 CG GLU A 108 4.454 -7.994 -9.102 1.00 0.00 C ATOM 1697 CD GLU A 108 5.627 -8.004 -8.142 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.447 -8.452 -6.990 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.724 -7.564 -8.542 1.00 0.00 O ATOM 0 H GLU A 108 3.043 -5.953 -10.833 1.00 0.00 H new ATOM 0 HA GLU A 108 1.776 -8.269 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.632 -6.091 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.047 -7.423 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.100 -9.015 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.788 -7.630 -10.074 1.00 0.00 H new ATOM 1706 N VAL A 109 0.827 -5.178 -9.017 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.233 -4.367 -8.428 1.00 0.00 C ATOM 1708 C VAL A 109 -1.609 -4.869 -8.853 1.00 0.00 C ATOM 1709 O VAL A 109 -2.587 -4.724 -8.119 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.089 -2.883 -8.822 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.160 -2.038 -8.145 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.301 -2.368 -8.476 1.00 0.00 C ATOM 0 H VAL A 109 1.494 -4.655 -9.584 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.138 -4.456 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.225 -2.803 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.039 -0.995 -8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.146 -2.388 -8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.062 -2.125 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.382 -1.319 -8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.469 -2.466 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.049 -2.950 -9.015 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.680 -5.459 -10.042 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.940 -5.982 -10.556 1.00 0.00 C ATOM 1724 C ARG A 110 -3.280 -7.317 -9.906 1.00 0.00 C ATOM 1725 O ARG A 110 -4.451 -7.672 -9.767 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.871 -6.141 -12.077 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.234 -6.234 -12.741 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.122 -6.707 -14.182 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.299 -7.909 -14.300 1.00 0.00 N ATOM 1730 CZ ARG A 110 -2.754 -8.322 -15.443 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -2.940 -7.637 -16.563 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -2.019 -9.425 -15.464 1.00 0.00 N ATOM 0 H ARG A 110 -0.883 -5.586 -10.665 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.727 -5.269 -10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.328 -5.295 -12.498 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.298 -7.038 -12.315 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.867 -6.921 -12.180 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.720 -5.259 -12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.118 -6.909 -14.576 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.693 -5.912 -14.792 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.133 -8.463 -13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.504 -6.787 -16.553 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.519 -7.960 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.872 -9.956 -14.606 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.601 -9.743 -16.338 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.248 -8.054 -9.503 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.441 -9.348 -8.864 1.00 0.00 C ATOM 1748 C HIS A 111 -2.820 -9.170 -7.397 1.00 0.00 C ATOM 1749 O HIS A 111 -3.678 -9.883 -6.877 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.172 -10.195 -8.978 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.442 -11.634 -9.293 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.439 -12.562 -9.479 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -2.607 -12.302 -9.453 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.978 -13.741 -9.741 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -2.292 -13.610 -9.731 1.00 0.00 N ATOM 0 H HIS A 111 -1.272 -7.776 -9.608 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.254 -9.863 -9.375 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.533 -9.775 -9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.618 -10.134 -8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.600 -11.885 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.436 -14.655 -9.931 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.964 -14.358 -9.902 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.178 -8.212 -6.737 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.457 -7.939 -5.333 1.00 0.00 C ATOM 1766 C ILE A 112 -3.817 -7.267 -5.169 1.00 0.00 C ATOM 1767 O ILE A 112 -4.441 -7.358 -4.112 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.365 -7.053 -4.698 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.369 -5.656 -5.325 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.000 -7.702 -4.855 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.196 -4.653 -4.552 1.00 0.00 C ATOM 0 H ILE A 112 -1.463 -7.614 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.466 -8.899 -4.817 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.581 -6.951 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.343 -5.294 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.752 -5.724 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.760 -7.065 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.000 -8.674 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.221 -7.833 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.155 -3.685 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.230 -4.993 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.800 -4.557 -3.541 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.270 -6.593 -6.224 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.557 -5.908 -6.198 1.00 0.00 C ATOM 1785 C LEU A 113 -6.705 -6.909 -6.277 1.00 0.00 C ATOM 1786 O LEU A 113 -7.759 -6.709 -5.674 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.653 -4.915 -7.358 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.945 -3.578 -7.125 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.685 -2.878 -8.450 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.774 -2.693 -6.207 1.00 0.00 C ATOM 0 H LEU A 113 -3.764 -6.508 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.633 -5.365 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.234 -5.380 -8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.706 -4.721 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.986 -3.771 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.181 -1.929 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.055 -3.509 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.633 -2.694 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.257 -1.746 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.746 -2.505 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.913 -3.193 -5.248 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.492 -7.987 -7.027 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.510 -9.019 -7.185 1.00 0.00 C ATOM 1804 C GLU A 114 -7.602 -9.891 -5.937 1.00 0.00 C ATOM 1805 O GLU A 114 -8.671 -10.398 -5.600 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.201 -9.886 -8.406 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.440 -10.326 -9.171 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.524 -11.831 -9.335 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.996 -12.348 -10.342 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.116 -12.492 -8.456 1.00 0.00 O ATOM 0 H GLU A 114 -5.625 -8.168 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.471 -8.526 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.547 -9.331 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.651 -10.770 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.329 -9.972 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.440 -9.857 -10.155 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.472 -10.061 -5.257 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.426 -10.872 -4.045 1.00 0.00 C ATOM 1819 C VAL A 115 -7.122 -10.168 -2.886 1.00 0.00 C ATOM 1820 O VAL A 115 -7.871 -10.787 -2.132 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.975 -11.195 -3.639 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.952 -12.176 -2.476 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.193 -11.744 -4.825 1.00 0.00 C ATOM 0 H VAL A 115 -5.578 -9.649 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.948 -11.803 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.495 -10.271 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.919 -12.392 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.469 -11.740 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.451 -13.100 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.171 -11.965 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.669 -12.656 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.178 -11.004 -5.625 1.00 0.00 H new ATOM 1833 N SER A 116 -6.870 -8.869 -2.749 1.00 0.00 N ATOM 1834 CA SER A 116 -7.475 -8.082 -1.681 1.00 0.00 C ATOM 1835 C SER A 116 -8.995 -8.132 -1.763 1.00 0.00 C ATOM 1836 O SER A 116 -9.662 -8.608 -0.844 1.00 0.00 O ATOM 1837 CB SER A 116 -6.996 -6.630 -1.755 1.00 0.00 C ATOM 1838 OG SER A 116 -6.656 -6.272 -3.083 1.00 0.00 O ATOM 0 H SER A 116 -6.251 -8.340 -3.364 1.00 0.00 H new ATOM 0 HA SER A 116 -7.166 -8.511 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.778 -5.967 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.131 -6.496 -1.106 1.00 0.00 H new ATOM 0 HG SER A 116 -5.732 -6.542 -3.268 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.539 -7.640 -2.872 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.978 -7.639 -3.056 1.00 0.00 C ATOM 1846 C GLY A 117 -11.473 -6.393 -3.764 1.00 0.00 C ATOM 1847 O GLY A 117 -12.483 -5.809 -3.371 1.00 0.00 O ATOM 0 H GLY A 117 -9.008 -7.242 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.268 -8.519 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.465 -7.718 -2.084 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.761 -5.986 -4.810 1.00 0.00 N ATOM 1852 CA LEU A 118 -11.136 -4.802 -5.574 1.00 0.00 C ATOM 1853 C LEU A 118 -11.566 -5.181 -6.989 1.00 0.00 C ATOM 1854 O LEU A 118 -12.471 -4.572 -7.559 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.970 -3.812 -5.631 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.289 -3.526 -4.289 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -8.304 -2.373 -4.422 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -10.326 -3.222 -3.216 1.00 0.00 C ATOM 0 H LEU A 118 -9.922 -6.458 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.979 -4.329 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.222 -4.196 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.334 -2.871 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.736 -4.416 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.831 -2.186 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.541 -2.629 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.834 -1.477 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.823 -3.022 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.908 -2.348 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.990 -4.078 -3.099 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.911 -6.193 -7.550 1.00 0.00 N ATOM 1871 CA LEU A 119 -11.225 -6.654 -8.898 1.00 0.00 C ATOM 1872 C LEU A 119 -11.775 -8.077 -8.869 1.00 0.00 C ATOM 1873 O LEU A 119 -11.503 -8.877 -9.765 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.979 -6.593 -9.785 1.00 0.00 C ATOM 1875 CG LEU A 119 -10.227 -6.113 -11.217 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -10.732 -4.678 -11.218 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.958 -6.234 -12.045 1.00 0.00 C ATOM 0 H LEU A 119 -10.160 -6.709 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.988 -5.996 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.250 -5.931 -9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.530 -7.585 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.992 -6.746 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.903 -4.353 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.666 -4.621 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.989 -4.031 -10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.152 -5.889 -13.060 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.172 -5.625 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.638 -7.276 -12.071 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.552 -8.386 -7.835 1.00 0.00 N ATOM 1890 CA GLY A 120 -13.128 -9.712 -7.710 1.00 0.00 C ATOM 1891 C GLY A 120 -12.229 -10.666 -6.949 1.00 0.00 C ATOM 1892 O GLY A 120 -11.392 -10.186 -6.155 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.363 -11.892 -7.146 1.00 0.00 O ATOM 0 H GLY A 120 -12.793 -7.742 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -14.090 -9.640 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.322 -10.115 -8.704 1.00 0.00 H new TER 1897 GLY A 120