USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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= 0.105 F(o=-1,f=0.44) USER MOD Set 1.2: A 65 TYR OH : rot 109:sc= 0.336 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= 0 F(o=-4.2,f=-3.5) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -3.46! C(o=-4.2!,f=-3.5!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -154:sc= -0.738 USER MOD Single : A 14 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.8) USER MOD Single : A 17 LYS NZ :NH3+ -117:sc=-0.00772 (180deg=-0.0654) USER MOD Single : A 19 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0535) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.19) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= 0.00166 (180deg=-0.3) USER MOD Single : A 70 MET CE :methyl -109:sc= -0.668 (180deg=-2.92!) USER MOD Single : A 79 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.9!) USER MOD Single : A 88 THR OG1 : rot 46:sc= 0.774 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc=0.000695 X(o=0.00069,f=-0.04) USER MOD Single : A 116 SER OG : rot 111:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.533 7.720 -9.909 1.00 0.00 N ATOM 15 CA ILE A 3 0.002 7.571 -8.561 1.00 0.00 C ATOM 16 C ILE A 3 0.855 6.306 -8.452 1.00 0.00 C ATOM 17 O ILE A 3 1.184 5.687 -9.463 1.00 0.00 O ATOM 18 CB ILE A 3 -1.123 7.536 -7.507 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.001 6.298 -7.689 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.963 8.802 -7.592 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.822 6.311 -8.961 1.00 0.00 C ATOM 0 HA ILE A 3 0.629 8.441 -8.363 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.666 7.484 -6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.367 5.411 -7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.673 6.212 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.754 8.765 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.331 9.671 -7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.407 8.878 -8.585 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.418 5.400 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.483 7.178 -8.959 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.157 6.364 -9.823 1.00 0.00 H new ATOM 33 N GLU A 4 1.223 5.930 -7.229 1.00 0.00 N ATOM 34 CA GLU A 4 2.048 4.745 -7.024 1.00 0.00 C ATOM 35 C GLU A 4 1.622 3.956 -5.787 1.00 0.00 C ATOM 36 O GLU A 4 1.101 4.516 -4.817 1.00 0.00 O ATOM 37 CB GLU A 4 3.520 5.144 -6.901 1.00 0.00 C ATOM 38 CG GLU A 4 4.174 5.472 -8.232 1.00 0.00 C ATOM 39 CD GLU A 4 4.861 4.272 -8.855 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.179 3.251 -9.087 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.080 4.353 -9.111 1.00 0.00 O ATOM 0 H GLU A 4 0.966 6.424 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 4 1.912 4.100 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.599 6.010 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.070 4.331 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.419 5.851 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.903 6.269 -8.088 1.00 0.00 H new ATOM 48 N TRP A 5 1.866 2.647 -5.831 1.00 0.00 N ATOM 49 CA TRP A 5 1.531 1.756 -4.726 1.00 0.00 C ATOM 50 C TRP A 5 2.766 1.478 -3.874 1.00 0.00 C ATOM 51 O TRP A 5 3.539 0.567 -4.169 1.00 0.00 O ATOM 52 CB TRP A 5 0.973 0.434 -5.257 1.00 0.00 C ATOM 53 CG TRP A 5 -0.439 0.525 -5.755 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.841 0.763 -7.038 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.633 0.369 -4.981 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.213 0.764 -7.108 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.722 0.526 -5.859 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.888 0.112 -3.631 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.044 0.433 -5.430 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.199 0.020 -3.207 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.263 0.180 -4.103 1.00 0.00 C ATOM 0 H TRP A 5 2.298 2.179 -6.628 1.00 0.00 H new ATOM 0 HA TRP A 5 0.774 2.245 -4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.611 0.081 -6.067 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.021 -0.313 -4.465 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.178 0.926 -7.875 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.763 0.917 -7.953 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.074 -0.012 -2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.866 0.556 -6.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.407 -0.179 -2.166 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.277 0.102 -3.740 1.00 0.00 H new ATOM 72 N TYR A 6 2.948 2.264 -2.820 1.00 0.00 N ATOM 73 CA TYR A 6 4.094 2.090 -1.934 1.00 0.00 C ATOM 74 C TYR A 6 3.799 1.043 -0.869 1.00 0.00 C ATOM 75 O TYR A 6 2.799 1.131 -0.156 1.00 0.00 O ATOM 76 CB TYR A 6 4.468 3.421 -1.280 1.00 0.00 C ATOM 77 CG TYR A 6 5.233 4.345 -2.199 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.602 4.200 -2.377 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.585 5.359 -2.891 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.305 5.040 -3.219 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.280 6.204 -3.735 1.00 0.00 C ATOM 82 CZ TYR A 6 6.640 6.040 -3.896 1.00 0.00 C ATOM 83 OH TYR A 6 7.336 6.880 -4.735 1.00 0.00 O ATOM 0 H TYR A 6 2.321 3.025 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 6 4.938 1.744 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.559 3.922 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.068 3.225 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.126 3.418 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.520 5.490 -2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.370 4.914 -3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.761 6.989 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 6 6.719 7.528 -5.135 1.00 0.00 H new ATOM 93 N ALA A 7 4.672 0.045 -0.770 1.00 0.00 N ATOM 94 CA ALA A 7 4.496 -1.024 0.203 1.00 0.00 C ATOM 95 C ALA A 7 5.467 -0.885 1.372 1.00 0.00 C ATOM 96 O ALA A 7 6.624 -0.507 1.192 1.00 0.00 O ATOM 97 CB ALA A 7 4.666 -2.378 -0.467 1.00 0.00 C ATOM 0 H ALA A 7 5.506 -0.044 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 7 3.485 -0.948 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.532 -3.169 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.923 -2.489 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.665 -2.448 -0.897 1.00 0.00 H new ATOM 103 N VAL A 8 4.984 -1.204 2.568 1.00 0.00 N ATOM 104 CA VAL A 8 5.800 -1.127 3.774 1.00 0.00 C ATOM 105 C VAL A 8 5.770 -2.451 4.528 1.00 0.00 C ATOM 106 O VAL A 8 4.787 -3.191 4.460 1.00 0.00 O ATOM 107 CB VAL A 8 5.321 -0.002 4.712 1.00 0.00 C ATOM 108 CG1 VAL A 8 5.519 1.358 4.059 1.00 0.00 C ATOM 109 CG2 VAL A 8 3.864 -0.212 5.099 1.00 0.00 C ATOM 0 H VAL A 8 4.027 -1.520 2.728 1.00 0.00 H new ATOM 0 HA VAL A 8 6.820 -0.908 3.457 1.00 0.00 H new ATOM 0 HB VAL A 8 5.920 -0.032 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.175 2.140 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.577 1.506 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.947 1.403 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.544 0.592 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.245 -0.211 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.758 -1.168 5.612 1.00 0.00 H new ATOM 119 N HIS A 9 6.849 -2.749 5.241 1.00 0.00 N ATOM 120 CA HIS A 9 6.941 -3.988 6.004 1.00 0.00 C ATOM 121 C HIS A 9 6.507 -3.772 7.450 1.00 0.00 C ATOM 122 O HIS A 9 6.698 -2.694 8.011 1.00 0.00 O ATOM 123 CB HIS A 9 8.370 -4.537 5.962 1.00 0.00 C ATOM 124 CG HIS A 9 8.861 -4.825 4.578 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.906 -4.043 3.472 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.384 -6.044 4.202 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.450 -4.797 2.462 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.731 -5.999 2.929 1.00 0.00 N flip ATOM 0 H HIS A 9 7.672 -2.150 5.307 1.00 0.00 H new ATOM 0 HA HIS A 9 6.269 -4.715 5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.040 -3.819 6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.416 -5.452 6.553 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.594 -3.074 3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.493 -6.902 4.848 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.620 -4.461 1.450 1.00 0.00 H new ATOM 137 N THR A 10 5.921 -4.807 8.045 1.00 0.00 N ATOM 138 CA THR A 10 5.459 -4.732 9.427 1.00 0.00 C ATOM 139 C THR A 10 5.729 -6.041 10.164 1.00 0.00 C ATOM 140 O THR A 10 6.220 -7.004 9.577 1.00 0.00 O ATOM 141 CB THR A 10 3.964 -4.409 9.469 1.00 0.00 C ATOM 142 OG1 THR A 10 3.199 -5.521 9.040 1.00 0.00 O ATOM 143 CG2 THR A 10 3.582 -3.228 8.604 1.00 0.00 C ATOM 0 H THR A 10 5.755 -5.706 7.593 1.00 0.00 H new ATOM 0 HA THR A 10 6.011 -3.935 9.926 1.00 0.00 H new ATOM 0 HB THR A 10 3.751 -4.160 10.509 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.342 -5.209 8.680 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.509 -3.053 8.680 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.119 -2.341 8.941 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.843 -3.437 7.567 1.00 0.00 H new ATOM 151 N LEU A 11 5.403 -6.065 11.451 1.00 0.00 N ATOM 152 CA LEU A 11 5.610 -7.256 12.269 1.00 0.00 C ATOM 153 C LEU A 11 4.381 -8.159 12.234 1.00 0.00 C ATOM 154 O LEU A 11 3.245 -7.681 12.241 1.00 0.00 O ATOM 155 CB LEU A 11 5.929 -6.860 13.713 1.00 0.00 C ATOM 156 CG LEU A 11 7.417 -6.833 14.063 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.646 -6.074 15.361 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.965 -8.249 14.166 1.00 0.00 C ATOM 0 H LEU A 11 4.995 -5.275 11.951 1.00 0.00 H new ATOM 0 HA LEU A 11 6.455 -7.808 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.508 -5.873 13.904 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.426 -7.556 14.384 1.00 0.00 H new ATOM 0 HG LEU A 11 7.950 -6.316 13.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.711 -6.065 15.594 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.290 -5.050 15.251 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.102 -6.563 16.169 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.025 -8.212 14.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.428 -8.791 14.944 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.835 -8.760 13.212 1.00 0.00 H new ATOM 170 N VAL A 12 4.613 -9.467 12.197 1.00 0.00 N ATOM 171 CA VAL A 12 3.524 -10.436 12.161 1.00 0.00 C ATOM 172 C VAL A 12 2.784 -10.480 13.493 1.00 0.00 C ATOM 173 O VAL A 12 3.280 -11.036 14.472 1.00 0.00 O ATOM 174 CB VAL A 12 4.037 -11.849 11.827 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.396 -11.952 10.352 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.233 -12.206 12.699 1.00 0.00 C ATOM 0 H VAL A 12 5.546 -9.880 12.191 1.00 0.00 H new ATOM 0 HA VAL A 12 2.840 -10.112 11.377 1.00 0.00 H new ATOM 0 HB VAL A 12 3.239 -12.562 12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.757 -12.957 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.513 -11.744 9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.176 -11.228 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.580 -13.208 12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.036 -11.489 12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.940 -12.176 13.748 1.00 0.00 H new ATOM 186 N GLY A 13 1.593 -9.891 13.523 1.00 0.00 N ATOM 187 CA GLY A 13 0.803 -9.873 14.741 1.00 0.00 C ATOM 188 C GLY A 13 0.437 -8.468 15.178 1.00 0.00 C ATOM 189 O GLY A 13 -0.581 -8.260 15.836 1.00 0.00 O ATOM 0 H GLY A 13 1.160 -9.425 12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.108 -10.451 14.587 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.361 -10.364 15.539 1.00 0.00 H new ATOM 193 N GLN A 14 1.273 -7.502 14.811 1.00 0.00 N ATOM 194 CA GLN A 14 1.034 -6.107 15.170 1.00 0.00 C ATOM 195 C GLN A 14 0.466 -5.322 13.989 1.00 0.00 C ATOM 196 O GLN A 14 -0.089 -4.238 14.166 1.00 0.00 O ATOM 197 CB GLN A 14 2.330 -5.456 15.654 1.00 0.00 C ATOM 198 CG GLN A 14 2.107 -4.258 16.565 1.00 0.00 C ATOM 199 CD GLN A 14 3.172 -3.193 16.398 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.261 -3.460 15.890 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.862 -1.975 16.828 1.00 0.00 N ATOM 0 H GLN A 14 2.121 -7.658 14.266 1.00 0.00 H new ATOM 0 HA GLN A 14 0.300 -6.089 15.976 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.924 -6.200 16.185 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.913 -5.140 14.789 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.129 -3.824 16.356 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.092 -4.593 17.602 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.947 -1.798 17.243 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.539 -1.217 16.743 1.00 0.00 H new ATOM 210 N GLU A 15 0.611 -5.872 12.785 1.00 0.00 N ATOM 211 CA GLU A 15 0.112 -5.216 11.579 1.00 0.00 C ATOM 212 C GLU A 15 -1.366 -4.861 11.718 1.00 0.00 C ATOM 213 O GLU A 15 -1.803 -3.801 11.268 1.00 0.00 O ATOM 214 CB GLU A 15 0.318 -6.120 10.362 1.00 0.00 C ATOM 215 CG GLU A 15 -0.357 -7.475 10.489 1.00 0.00 C ATOM 216 CD GLU A 15 -1.812 -7.444 10.066 1.00 0.00 C ATOM 217 OE1 GLU A 15 -2.195 -6.516 9.323 1.00 0.00 O ATOM 218 OE2 GLU A 15 -2.570 -8.348 10.478 1.00 0.00 O ATOM 0 H GLU A 15 1.069 -6.768 12.619 1.00 0.00 H new ATOM 0 HA GLU A 15 0.675 -4.293 11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.065 -5.614 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.387 -6.269 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.179 -8.202 9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.290 -7.814 11.523 1.00 0.00 H new ATOM 225 N GLU A 16 -2.129 -5.752 12.343 1.00 0.00 N ATOM 226 CA GLU A 16 -3.558 -5.532 12.540 1.00 0.00 C ATOM 227 C GLU A 16 -3.815 -4.207 13.253 1.00 0.00 C ATOM 228 O GLU A 16 -4.721 -3.459 12.888 1.00 0.00 O ATOM 229 CB GLU A 16 -4.168 -6.688 13.339 1.00 0.00 C ATOM 230 CG GLU A 16 -5.331 -7.366 12.634 1.00 0.00 C ATOM 231 CD GLU A 16 -6.065 -8.343 13.533 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.049 -8.145 14.765 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.656 -9.308 13.002 1.00 0.00 O ATOM 0 H GLU A 16 -1.782 -6.633 12.722 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.032 -5.489 11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.394 -7.429 13.540 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.508 -6.312 14.304 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.029 -6.608 12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.961 -7.894 11.755 1.00 0.00 H new ATOM 240 N LYS A 17 -3.008 -3.924 14.272 1.00 0.00 N ATOM 241 CA LYS A 17 -3.147 -2.689 15.035 1.00 0.00 C ATOM 242 C LYS A 17 -2.419 -1.538 14.347 1.00 0.00 C ATOM 243 O LYS A 17 -2.783 -0.374 14.515 1.00 0.00 O ATOM 244 CB LYS A 17 -2.604 -2.876 16.452 1.00 0.00 C ATOM 245 CG LYS A 17 -3.174 -1.890 17.458 1.00 0.00 C ATOM 246 CD LYS A 17 -4.363 -2.475 18.201 1.00 0.00 C ATOM 247 CE LYS A 17 -3.937 -3.132 19.504 1.00 0.00 C ATOM 248 NZ LYS A 17 -3.772 -4.604 19.356 1.00 0.00 N ATOM 0 H LYS A 17 -2.253 -4.532 14.587 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.208 -2.443 15.089 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.824 -3.890 16.785 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.519 -2.775 16.432 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.400 -1.609 18.172 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.478 -0.979 16.943 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.087 -1.687 18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.863 -3.209 17.569 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.998 -2.694 19.841 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.680 -2.926 20.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.457 -5.093 19.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.936 -4.874 18.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.807 -4.875 19.633 1.00 0.00 H new ATOM 262 N ALA A 18 -1.391 -1.871 13.572 1.00 0.00 N ATOM 263 CA ALA A 18 -0.616 -0.863 12.859 1.00 0.00 C ATOM 264 C ALA A 18 -1.465 -0.160 11.807 1.00 0.00 C ATOM 265 O ALA A 18 -1.353 1.050 11.610 1.00 0.00 O ATOM 266 CB ALA A 18 0.608 -1.498 12.215 1.00 0.00 C ATOM 0 H ALA A 18 -1.076 -2.830 13.422 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.287 -0.115 13.581 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.178 -0.734 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.233 -1.948 12.986 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.291 -2.267 11.511 1.00 0.00 H new ATOM 272 N LYS A 19 -2.316 -0.927 11.133 1.00 0.00 N ATOM 273 CA LYS A 19 -3.185 -0.378 10.099 1.00 0.00 C ATOM 274 C LYS A 19 -4.099 0.701 10.673 1.00 0.00 C ATOM 275 O LYS A 19 -4.106 1.837 10.199 1.00 0.00 O ATOM 276 CB LYS A 19 -4.025 -1.490 9.468 1.00 0.00 C ATOM 277 CG LYS A 19 -4.890 -1.017 8.312 1.00 0.00 C ATOM 278 CD LYS A 19 -4.058 -0.740 7.071 1.00 0.00 C ATOM 279 CE LYS A 19 -3.675 0.727 6.974 1.00 0.00 C ATOM 280 NZ LYS A 19 -4.711 1.525 6.262 1.00 0.00 N ATOM 0 H LYS A 19 -2.422 -1.930 11.284 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.556 0.074 9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.361 -2.279 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.665 -1.930 10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.642 -1.773 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.424 -0.112 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.156 -1.352 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.619 -1.030 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.530 1.131 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.723 0.820 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.793 2.462 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.438 1.637 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.626 1.034 6.318 1.00 0.00 H new ATOM 294 N ALA A 20 -4.866 0.338 11.695 1.00 0.00 N ATOM 295 CA ALA A 20 -5.783 1.275 12.333 1.00 0.00 C ATOM 296 C ALA A 20 -5.030 2.461 12.926 1.00 0.00 C ATOM 297 O ALA A 20 -5.452 3.609 12.785 1.00 0.00 O ATOM 298 CB ALA A 20 -6.592 0.568 13.411 1.00 0.00 C ATOM 0 H ALA A 20 -4.871 -0.598 12.099 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.465 1.655 11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.273 1.279 13.880 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.166 -0.243 12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.917 0.161 14.164 1.00 0.00 H new ATOM 304 N ASN A 21 -3.914 2.178 13.589 1.00 0.00 N ATOM 305 CA ASN A 21 -3.103 3.221 14.203 1.00 0.00 C ATOM 306 C ASN A 21 -2.599 4.207 13.153 1.00 0.00 C ATOM 307 O ASN A 21 -2.621 5.419 13.365 1.00 0.00 O ATOM 308 CB ASN A 21 -1.920 2.605 14.949 1.00 0.00 C ATOM 309 CG ASN A 21 -2.228 2.352 16.413 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.324 1.913 16.761 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.259 2.628 17.278 1.00 0.00 N ATOM 0 H ASN A 21 -3.551 1.233 13.715 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.729 3.761 14.913 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.642 1.665 14.471 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.059 3.269 14.871 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.408 2.477 18.276 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.366 2.991 16.945 1.00 0.00 H new ATOM 318 N LEU A 22 -2.145 3.677 12.022 1.00 0.00 N ATOM 319 CA LEU A 22 -1.636 4.510 10.939 1.00 0.00 C ATOM 320 C LEU A 22 -2.774 5.238 10.233 1.00 0.00 C ATOM 321 O LEU A 22 -2.709 6.447 10.010 1.00 0.00 O ATOM 322 CB LEU A 22 -0.857 3.657 9.934 1.00 0.00 C ATOM 323 CG LEU A 22 -0.359 4.404 8.696 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.766 5.359 9.066 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.100 3.423 7.629 1.00 0.00 C ATOM 0 H LEU A 22 -2.119 2.675 11.832 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.965 5.254 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.001 3.217 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.493 2.833 9.610 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.185 4.988 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.108 5.882 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.403 6.084 9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.594 4.796 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.451 3.973 6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.912 2.811 8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.733 2.781 7.343 1.00 0.00 H new ATOM 337 N GLU A 23 -3.815 4.492 9.878 1.00 0.00 N ATOM 338 CA GLU A 23 -4.969 5.065 9.192 1.00 0.00 C ATOM 339 C GLU A 23 -5.607 6.174 10.024 1.00 0.00 C ATOM 340 O GLU A 23 -6.259 7.067 9.485 1.00 0.00 O ATOM 341 CB GLU A 23 -6.002 3.977 8.892 1.00 0.00 C ATOM 342 CG GLU A 23 -6.728 4.176 7.571 1.00 0.00 C ATOM 343 CD GLU A 23 -8.107 4.781 7.749 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.190 5.978 8.093 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.104 4.055 7.544 1.00 0.00 O ATOM 0 H GLU A 23 -3.884 3.490 10.054 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.622 5.497 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.504 3.008 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.734 3.950 9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.132 4.823 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.819 3.216 7.063 1.00 0.00 H new ATOM 352 N LYS A 24 -5.411 6.119 11.338 1.00 0.00 N ATOM 353 CA LYS A 24 -5.965 7.130 12.228 1.00 0.00 C ATOM 354 C LYS A 24 -5.070 8.363 12.247 1.00 0.00 C ATOM 355 O LYS A 24 -5.550 9.492 12.159 1.00 0.00 O ATOM 356 CB LYS A 24 -6.123 6.571 13.644 1.00 0.00 C ATOM 357 CG LYS A 24 -7.332 5.663 13.808 1.00 0.00 C ATOM 358 CD LYS A 24 -8.635 6.427 13.628 1.00 0.00 C ATOM 359 CE LYS A 24 -9.548 5.749 12.619 1.00 0.00 C ATOM 360 NZ LYS A 24 -10.973 5.783 13.049 1.00 0.00 N ATOM 0 H LYS A 24 -4.875 5.388 11.807 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.949 7.415 11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.223 6.016 13.909 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.204 7.401 14.346 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.281 4.853 13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.312 5.205 14.797 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.147 6.505 14.587 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.419 7.443 13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.449 6.241 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.234 4.714 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.563 5.311 12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.073 5.291 13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.281 6.771 13.154 1.00 0.00 H new ATOM 374 N ARG A 25 -3.767 8.133 12.343 1.00 0.00 N ATOM 375 CA ARG A 25 -2.801 9.223 12.354 1.00 0.00 C ATOM 376 C ARG A 25 -2.750 9.896 10.985 1.00 0.00 C ATOM 377 O ARG A 25 -2.390 11.067 10.870 1.00 0.00 O ATOM 378 CB ARG A 25 -1.414 8.703 12.735 1.00 0.00 C ATOM 379 CG ARG A 25 -1.354 8.102 14.130 1.00 0.00 C ATOM 380 CD ARG A 25 -1.283 9.180 15.199 1.00 0.00 C ATOM 381 NE ARG A 25 -2.032 8.812 16.399 1.00 0.00 N ATOM 382 CZ ARG A 25 -1.631 7.889 17.268 1.00 0.00 C ATOM 383 NH1 ARG A 25 -0.491 7.236 17.076 1.00 0.00 N ATOM 384 NH2 ARG A 25 -2.371 7.617 18.334 1.00 0.00 N ATOM 0 H ARG A 25 -3.355 7.202 12.414 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.115 9.957 13.097 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.105 7.950 12.010 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.697 9.521 12.669 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.233 7.480 14.297 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.483 7.451 14.210 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.241 9.360 15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.677 10.114 14.798 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.914 9.291 16.580 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.083 7.441 16.258 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.189 6.529 17.746 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.247 8.116 18.487 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.064 6.909 19.001 1.00 0.00 H new ATOM 398 N ILE A 26 -3.120 9.146 9.947 1.00 0.00 N ATOM 399 CA ILE A 26 -3.122 9.670 8.589 1.00 0.00 C ATOM 400 C ILE A 26 -4.224 10.713 8.410 1.00 0.00 C ATOM 401 O ILE A 26 -4.099 11.628 7.596 1.00 0.00 O ATOM 402 CB ILE A 26 -3.288 8.536 7.546 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.587 8.912 6.237 1.00 0.00 C ATOM 404 CG2 ILE A 26 -4.759 8.225 7.294 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.622 7.855 5.746 1.00 0.00 C ATOM 0 H ILE A 26 -3.421 8.175 10.025 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.156 10.148 8.422 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.823 7.637 7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.340 9.091 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.047 9.848 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.841 7.425 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.229 7.910 8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.260 9.117 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.162 8.187 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.848 7.692 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.160 6.923 5.572 1.00 0.00 H new ATOM 417 N LYS A 27 -5.300 10.568 9.180 1.00 0.00 N ATOM 418 CA LYS A 27 -6.421 11.497 9.106 1.00 0.00 C ATOM 419 C LYS A 27 -6.249 12.635 10.104 1.00 0.00 C ATOM 420 O LYS A 27 -6.652 13.769 9.844 1.00 0.00 O ATOM 421 CB LYS A 27 -7.736 10.763 9.377 1.00 0.00 C ATOM 422 CG LYS A 27 -8.970 11.568 9.005 1.00 0.00 C ATOM 423 CD LYS A 27 -9.941 11.676 10.172 1.00 0.00 C ATOM 424 CE LYS A 27 -10.502 10.316 10.561 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.947 10.195 10.225 1.00 0.00 N ATOM 0 H LYS A 27 -5.418 9.817 9.860 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.447 11.918 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.741 9.827 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.787 10.504 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.671 12.567 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.470 11.099 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.433 12.119 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.759 12.345 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.943 9.533 10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.364 10.159 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.291 9.255 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.484 10.926 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.077 10.320 9.201 1.00 0.00 H new ATOM 439 N ALA A 28 -5.645 12.326 11.247 1.00 0.00 N ATOM 440 CA ALA A 28 -5.417 13.322 12.286 1.00 0.00 C ATOM 441 C ALA A 28 -4.358 14.331 11.855 1.00 0.00 C ATOM 442 O ALA A 28 -4.387 15.490 12.269 1.00 0.00 O ATOM 443 CB ALA A 28 -5.006 12.645 13.584 1.00 0.00 C ATOM 0 H ALA A 28 -5.305 11.392 11.477 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.350 13.861 12.450 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.839 13.401 14.351 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.797 11.968 13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.087 12.080 13.425 1.00 0.00 H new ATOM 449 N PHE A 29 -3.425 13.882 11.022 1.00 0.00 N ATOM 450 CA PHE A 29 -2.357 14.748 10.534 1.00 0.00 C ATOM 451 C PHE A 29 -2.853 15.628 9.391 1.00 0.00 C ATOM 452 O PHE A 29 -2.477 16.796 9.287 1.00 0.00 O ATOM 453 CB PHE A 29 -1.164 13.909 10.073 1.00 0.00 C ATOM 454 CG PHE A 29 -0.043 13.861 11.072 1.00 0.00 C ATOM 455 CD1 PHE A 29 0.821 14.934 11.217 1.00 0.00 C ATOM 456 CD2 PHE A 29 0.146 12.743 11.868 1.00 0.00 C ATOM 457 CE1 PHE A 29 1.851 14.895 12.135 1.00 0.00 C ATOM 458 CE2 PHE A 29 1.176 12.696 12.789 1.00 0.00 C ATOM 459 CZ PHE A 29 2.030 13.773 12.923 1.00 0.00 C ATOM 0 H PHE A 29 -3.386 12.925 10.671 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.040 15.394 11.353 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.502 12.893 9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.786 14.314 9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.687 15.813 10.604 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.519 11.898 11.768 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.516 15.740 12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.313 11.818 13.403 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.836 13.739 13.641 1.00 0.00 H new ATOM 469 N GLY A 30 -3.701 15.063 8.538 1.00 0.00 N ATOM 470 CA GLY A 30 -4.236 15.813 7.418 1.00 0.00 C ATOM 471 C GLY A 30 -3.509 15.525 6.119 1.00 0.00 C ATOM 472 O GLY A 30 -2.864 16.407 5.552 1.00 0.00 O ATOM 0 H GLY A 30 -4.027 14.099 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.293 15.575 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.172 16.879 7.636 1.00 0.00 H new ATOM 476 N LEU A 31 -3.618 14.289 5.643 1.00 0.00 N ATOM 477 CA LEU A 31 -2.969 13.889 4.399 1.00 0.00 C ATOM 478 C LEU A 31 -3.771 12.799 3.693 1.00 0.00 C ATOM 479 O LEU A 31 -3.218 11.986 2.951 1.00 0.00 O ATOM 480 CB LEU A 31 -1.545 13.399 4.671 1.00 0.00 C ATOM 481 CG LEU A 31 -1.442 12.166 5.569 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.211 11.348 5.210 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.403 12.577 7.034 1.00 0.00 C ATOM 0 H LEU A 31 -4.149 13.547 6.099 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.923 14.761 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.066 13.175 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.980 14.211 5.129 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.325 11.547 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.153 10.474 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.279 11.025 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.683 11.958 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.330 11.687 7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.538 13.216 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.314 13.122 7.283 1.00 0.00 H new ATOM 495 N GLN A 32 -5.082 12.792 3.926 1.00 0.00 N ATOM 496 CA GLN A 32 -5.961 11.807 3.311 1.00 0.00 C ATOM 497 C GLN A 32 -6.093 12.046 1.808 1.00 0.00 C ATOM 498 O GLN A 32 -6.613 11.199 1.080 1.00 0.00 O ATOM 499 CB GLN A 32 -7.344 11.848 3.970 1.00 0.00 C ATOM 500 CG GLN A 32 -7.904 10.472 4.288 1.00 0.00 C ATOM 501 CD GLN A 32 -8.872 9.977 3.231 1.00 0.00 C ATOM 502 OE1 GLN A 32 -8.462 9.501 2.172 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.164 10.088 3.514 1.00 0.00 N ATOM 0 H GLN A 32 -5.556 13.458 4.536 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.519 10.822 3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.282 12.428 4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.037 12.370 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.082 9.763 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.411 10.504 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.458 10.489 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.862 9.772 2.841 1.00 0.00 H new ATOM 512 N ASP A 33 -5.618 13.201 1.345 1.00 0.00 N ATOM 513 CA ASP A 33 -5.684 13.542 -0.071 1.00 0.00 C ATOM 514 C ASP A 33 -4.568 12.848 -0.845 1.00 0.00 C ATOM 515 O ASP A 33 -4.720 12.534 -2.026 1.00 0.00 O ATOM 516 CB ASP A 33 -5.589 15.057 -0.258 1.00 0.00 C ATOM 517 CG ASP A 33 -6.950 15.707 -0.414 1.00 0.00 C ATOM 518 OD1 ASP A 33 -7.696 15.311 -1.335 1.00 0.00 O ATOM 519 OD2 ASP A 33 -7.271 16.611 0.386 1.00 0.00 O ATOM 0 H ASP A 33 -5.184 13.914 1.931 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.642 13.198 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.077 15.495 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.983 15.274 -1.137 1.00 0.00 H new ATOM 524 N LYS A 34 -3.447 12.606 -0.171 1.00 0.00 N ATOM 525 CA LYS A 34 -2.309 11.943 -0.796 1.00 0.00 C ATOM 526 C LYS A 34 -2.560 10.443 -0.902 1.00 0.00 C ATOM 527 O LYS A 34 -2.399 9.850 -1.969 1.00 0.00 O ATOM 528 CB LYS A 34 -1.031 12.211 0.005 1.00 0.00 C ATOM 529 CG LYS A 34 0.101 12.786 -0.831 1.00 0.00 C ATOM 530 CD LYS A 34 0.992 13.703 -0.008 1.00 0.00 C ATOM 531 CE LYS A 34 2.296 14.006 -0.726 1.00 0.00 C ATOM 532 NZ LYS A 34 2.293 15.363 -1.340 1.00 0.00 N ATOM 0 H LYS A 34 -3.303 12.859 0.807 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.183 12.346 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.259 12.902 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.697 11.280 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.698 11.973 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.313 13.340 -1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.465 14.634 0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.205 13.237 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.124 13.929 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.466 13.258 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.201 15.529 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.519 15.429 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.157 16.079 -0.598 1.00 0.00 H new ATOM 546 N ILE A 35 -2.965 9.835 0.209 1.00 0.00 N ATOM 547 CA ILE A 35 -3.248 8.405 0.237 1.00 0.00 C ATOM 548 C ILE A 35 -4.674 8.131 -0.229 1.00 0.00 C ATOM 549 O ILE A 35 -5.637 8.448 0.469 1.00 0.00 O ATOM 550 CB ILE A 35 -3.058 7.821 1.650 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.703 8.240 2.221 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.180 6.304 1.617 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.744 9.550 2.977 1.00 0.00 C ATOM 0 H ILE A 35 -3.104 10.310 1.101 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.542 7.923 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.841 8.215 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.341 7.457 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.984 8.323 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.043 5.906 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.167 6.026 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.417 5.892 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.748 9.784 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.076 10.345 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.438 9.466 3.814 1.00 0.00 H new ATOM 565 N PHE A 36 -4.803 7.551 -1.418 1.00 0.00 N ATOM 566 CA PHE A 36 -6.116 7.249 -1.981 1.00 0.00 C ATOM 567 C PHE A 36 -6.545 5.822 -1.660 1.00 0.00 C ATOM 568 O PHE A 36 -7.642 5.599 -1.147 1.00 0.00 O ATOM 569 CB PHE A 36 -6.109 7.455 -3.497 1.00 0.00 C ATOM 570 CG PHE A 36 -5.314 8.649 -3.940 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.843 9.925 -3.849 1.00 0.00 C ATOM 572 CD2 PHE A 36 -4.034 8.493 -4.445 1.00 0.00 C ATOM 573 CE1 PHE A 36 -5.110 11.025 -4.253 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.296 9.587 -4.850 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.836 10.855 -4.755 1.00 0.00 C ATOM 0 H PHE A 36 -4.017 7.281 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.832 7.934 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.704 6.563 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.136 7.564 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.840 10.063 -3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.608 7.504 -4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.534 12.015 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.298 9.452 -5.240 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.262 11.712 -5.073 1.00 0.00 H new ATOM 585 N GLN A 37 -5.688 4.856 -1.973 1.00 0.00 N ATOM 586 CA GLN A 37 -6.009 3.454 -1.722 1.00 0.00 C ATOM 587 C GLN A 37 -5.125 2.857 -0.630 1.00 0.00 C ATOM 588 O GLN A 37 -4.019 3.331 -0.374 1.00 0.00 O ATOM 589 CB GLN A 37 -5.865 2.634 -3.005 1.00 0.00 C ATOM 590 CG GLN A 37 -6.468 3.307 -4.228 1.00 0.00 C ATOM 591 CD GLN A 37 -7.475 2.425 -4.943 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.070 1.867 -6.079 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.600 2.246 -4.480 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.774 5.015 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.043 3.416 -1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.807 2.445 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.342 1.664 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.954 4.235 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.670 3.576 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.868 2.695 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.265 1.649 -4.972 1.00 0.00 H new ATOM 602 N VAL A 38 -5.632 1.802 -0.001 1.00 0.00 N ATOM 603 CA VAL A 38 -4.915 1.106 1.059 1.00 0.00 C ATOM 604 C VAL A 38 -5.366 -0.350 1.124 1.00 0.00 C ATOM 605 O VAL A 38 -6.112 -0.743 2.020 1.00 0.00 O ATOM 606 CB VAL A 38 -5.144 1.771 2.431 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.323 3.045 2.554 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.623 2.059 2.646 1.00 0.00 C ATOM 0 H VAL A 38 -6.549 1.407 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.851 1.157 0.826 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.815 1.079 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.499 3.499 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.264 2.807 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.616 3.744 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.765 2.528 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.980 2.730 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.185 1.126 2.608 1.00 0.00 H new ATOM 618 N LEU A 39 -4.921 -1.139 0.152 1.00 0.00 N ATOM 619 CA LEU A 39 -5.291 -2.548 0.079 1.00 0.00 C ATOM 620 C LEU A 39 -4.368 -3.414 0.930 1.00 0.00 C ATOM 621 O LEU A 39 -3.162 -3.178 0.997 1.00 0.00 O ATOM 622 CB LEU A 39 -5.262 -3.026 -1.376 1.00 0.00 C ATOM 623 CG LEU A 39 -6.583 -2.880 -2.131 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.636 -3.818 -1.558 1.00 0.00 C ATOM 625 CD2 LEU A 39 -7.067 -1.438 -2.083 1.00 0.00 C ATOM 0 H LEU A 39 -4.303 -0.826 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.302 -2.647 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.492 -2.469 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.966 -4.075 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.415 -3.152 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.569 -3.698 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.292 -4.849 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.803 -3.580 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.009 -1.352 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.217 -1.139 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.322 -0.789 -2.544 1.00 0.00 H new ATOM 637 N ILE A 40 -4.949 -4.425 1.566 1.00 0.00 N ATOM 638 CA ILE A 40 -4.187 -5.340 2.405 1.00 0.00 C ATOM 639 C ILE A 40 -3.823 -6.604 1.629 1.00 0.00 C ATOM 640 O ILE A 40 -4.692 -7.246 1.039 1.00 0.00 O ATOM 641 CB ILE A 40 -4.977 -5.738 3.668 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.543 -4.494 4.355 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.088 -6.519 4.624 1.00 0.00 C ATOM 644 CD1 ILE A 40 -6.984 -4.209 3.994 1.00 0.00 C ATOM 0 H ILE A 40 -5.947 -4.631 1.516 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.279 -4.819 2.707 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.809 -6.377 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.465 -4.618 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.932 -3.632 4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.660 -6.793 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.728 -7.422 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.238 -5.902 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.320 -3.314 4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.066 -4.053 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.606 -5.055 4.286 1.00 0.00 H new ATOM 656 N PRO A 41 -2.532 -6.976 1.611 1.00 0.00 N ATOM 657 CA PRO A 41 -2.062 -8.168 0.893 1.00 0.00 C ATOM 658 C PRO A 41 -2.674 -9.456 1.434 1.00 0.00 C ATOM 659 O PRO A 41 -2.014 -10.223 2.138 1.00 0.00 O ATOM 660 CB PRO A 41 -0.548 -8.158 1.124 1.00 0.00 C ATOM 661 CG PRO A 41 -0.341 -7.300 2.323 1.00 0.00 C ATOM 662 CD PRO A 41 -1.428 -6.267 2.279 1.00 0.00 C ATOM 0 HA PRO A 41 -2.345 -8.140 -0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.169 -9.166 1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.020 -7.758 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.397 -7.888 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.644 -6.833 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.708 -5.934 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.121 -5.382 1.722 1.00 0.00 H new ATOM 670 N THR A 42 -3.938 -9.692 1.096 1.00 0.00 N ATOM 671 CA THR A 42 -4.641 -10.889 1.544 1.00 0.00 C ATOM 672 C THR A 42 -5.464 -11.493 0.410 1.00 0.00 C ATOM 673 O THR A 42 -6.050 -10.771 -0.397 1.00 0.00 O ATOM 674 CB THR A 42 -5.551 -10.556 2.727 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.551 -9.628 2.345 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.807 -9.971 3.907 1.00 0.00 C ATOM 0 H THR A 42 -4.497 -9.069 0.513 1.00 0.00 H new ATOM 0 HA THR A 42 -3.898 -11.621 1.859 1.00 0.00 H new ATOM 0 HB THR A 42 -5.990 -11.506 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.124 -9.429 3.115 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.511 -9.758 4.711 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.061 -10.685 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.312 -9.048 3.604 1.00 0.00 H new ATOM 948 N LYS A 59 -6.804 -15.177 3.688 1.00 0.00 N ATOM 949 CA LYS A 59 -5.517 -15.187 4.377 1.00 0.00 C ATOM 950 C LYS A 59 -4.600 -14.098 3.832 1.00 0.00 C ATOM 951 O LYS A 59 -4.946 -13.400 2.878 1.00 0.00 O ATOM 952 CB LYS A 59 -4.850 -16.556 4.232 1.00 0.00 C ATOM 953 CG LYS A 59 -4.539 -16.932 2.793 1.00 0.00 C ATOM 954 CD LYS A 59 -3.597 -18.124 2.721 1.00 0.00 C ATOM 955 CE LYS A 59 -2.149 -17.682 2.587 1.00 0.00 C ATOM 956 NZ LYS A 59 -1.215 -18.635 3.249 1.00 0.00 N ATOM 0 HA LYS A 59 -5.695 -14.988 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.925 -16.563 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.501 -17.316 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.465 -17.166 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.090 -16.080 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.711 -18.734 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.867 -18.752 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.892 -17.596 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.029 -16.692 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.238 -18.298 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.444 -18.699 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.311 -19.574 2.813 1.00 0.00 H new ATOM 970 N LYS A 60 -3.429 -13.957 4.445 1.00 0.00 N ATOM 971 CA LYS A 60 -2.461 -12.952 4.022 1.00 0.00 C ATOM 972 C LYS A 60 -1.475 -13.534 3.013 1.00 0.00 C ATOM 973 O LYS A 60 -0.777 -14.504 3.302 1.00 0.00 O ATOM 974 CB LYS A 60 -1.706 -12.402 5.232 1.00 0.00 C ATOM 975 CG LYS A 60 -2.457 -11.308 5.975 1.00 0.00 C ATOM 976 CD LYS A 60 -1.823 -9.943 5.752 1.00 0.00 C ATOM 977 CE LYS A 60 -1.941 -9.066 6.987 1.00 0.00 C ATOM 978 NZ LYS A 60 -3.356 -8.924 7.436 1.00 0.00 N ATOM 0 H LYS A 60 -3.128 -14.526 5.236 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.005 -12.139 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.497 -13.220 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.744 -12.010 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.494 -11.287 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.470 -11.534 7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.772 -10.067 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.305 -9.451 4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.345 -9.493 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.528 -8.080 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.453 -8.064 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.978 -8.856 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.625 -9.753 8.003 1.00 0.00 H new ATOM 992 N LEU A 61 -1.421 -12.930 1.830 1.00 0.00 N ATOM 993 CA LEU A 61 -0.518 -13.386 0.779 1.00 0.00 C ATOM 994 C LEU A 61 0.901 -12.890 1.034 1.00 0.00 C ATOM 995 O LEU A 61 1.857 -13.665 0.998 1.00 0.00 O ATOM 996 CB LEU A 61 -1.004 -12.898 -0.587 1.00 0.00 C ATOM 997 CG LEU A 61 -2.037 -13.799 -1.265 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.427 -13.235 -2.624 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.496 -15.214 -1.408 1.00 0.00 C ATOM 0 H LEU A 61 -1.992 -12.124 1.575 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.511 -14.476 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.434 -11.903 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.143 -12.797 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.929 -13.833 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.163 -13.889 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.855 -12.241 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.543 -13.171 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.244 -15.842 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.589 -15.197 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.267 -15.617 -0.422 1.00 0.00 H new ATOM 1011 N PHE A 62 1.027 -11.594 1.300 1.00 0.00 N ATOM 1012 CA PHE A 62 2.329 -10.993 1.570 1.00 0.00 C ATOM 1013 C PHE A 62 2.513 -10.771 3.073 1.00 0.00 C ATOM 1014 O PHE A 62 2.026 -9.783 3.626 1.00 0.00 O ATOM 1015 CB PHE A 62 2.469 -9.664 0.823 1.00 0.00 C ATOM 1016 CG PHE A 62 2.240 -9.775 -0.659 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.955 -9.879 -1.173 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.310 -9.768 -1.539 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.745 -9.973 -2.536 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.105 -9.865 -2.903 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.821 -9.967 -3.402 1.00 0.00 C ATOM 0 H PHE A 62 0.245 -10.940 1.334 1.00 0.00 H new ATOM 0 HA PHE A 62 3.102 -11.676 1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.760 -8.948 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.467 -9.263 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.110 -9.887 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.316 -9.686 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.260 -10.051 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.948 -9.861 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.659 -10.042 -4.467 1.00 0.00 H new ATOM 1031 N PRO A 63 3.213 -11.694 3.761 1.00 0.00 N ATOM 1032 CA PRO A 63 3.445 -11.593 5.206 1.00 0.00 C ATOM 1033 C PRO A 63 4.104 -10.275 5.601 1.00 0.00 C ATOM 1034 O PRO A 63 5.169 -9.923 5.095 1.00 0.00 O ATOM 1035 CB PRO A 63 4.376 -12.774 5.517 1.00 0.00 C ATOM 1036 CG PRO A 63 4.893 -13.235 4.196 1.00 0.00 C ATOM 1037 CD PRO A 63 3.825 -12.906 3.196 1.00 0.00 C ATOM 0 HA PRO A 63 2.509 -11.621 5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.192 -12.468 6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.839 -13.573 6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.828 -12.734 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.098 -14.305 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.241 -12.725 2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.102 -13.715 3.095 1.00 0.00 H new ATOM 1045 N GLY A 64 3.459 -9.555 6.515 1.00 0.00 N ATOM 1046 CA GLY A 64 3.992 -8.287 6.973 1.00 0.00 C ATOM 1047 C GLY A 64 4.134 -7.271 5.857 1.00 0.00 C ATOM 1048 O GLY A 64 5.140 -6.569 5.774 1.00 0.00 O ATOM 0 H GLY A 64 2.576 -9.829 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.339 -7.882 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.966 -8.453 7.433 1.00 0.00 H new ATOM 1052 N TYR A 65 3.124 -7.189 4.996 1.00 0.00 N ATOM 1053 CA TYR A 65 3.147 -6.248 3.882 1.00 0.00 C ATOM 1054 C TYR A 65 1.879 -5.398 3.858 1.00 0.00 C ATOM 1055 O TYR A 65 0.818 -5.834 4.304 1.00 0.00 O ATOM 1056 CB TYR A 65 3.299 -6.998 2.557 1.00 0.00 C ATOM 1057 CG TYR A 65 4.691 -6.920 1.971 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.208 -5.713 1.515 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.487 -8.055 1.870 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.479 -5.640 0.978 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.758 -7.988 1.334 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.250 -6.779 0.889 1.00 0.00 C ATOM 1063 OH TYR A 65 8.516 -6.708 0.353 1.00 0.00 O ATOM 0 H TYR A 65 2.281 -7.762 5.048 1.00 0.00 H new ATOM 0 HA TYR A 65 4.002 -5.586 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.037 -8.045 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.588 -6.593 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.607 -4.818 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.106 -9.004 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.867 -4.694 0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.364 -8.879 1.264 1.00 0.00 H new ATOM 0 HH TYR A 65 9.180 -6.821 1.065 1.00 0.00 H new ATOM 1073 N LEU A 66 1.997 -4.185 3.328 1.00 0.00 N ATOM 1074 CA LEU A 66 0.860 -3.274 3.237 1.00 0.00 C ATOM 1075 C LEU A 66 0.967 -2.402 1.989 1.00 0.00 C ATOM 1076 O LEU A 66 1.875 -1.580 1.875 1.00 0.00 O ATOM 1077 CB LEU A 66 0.779 -2.394 4.484 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.100 -2.945 5.609 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.040 -2.093 6.861 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.555 -3.008 5.166 1.00 0.00 C ATOM 0 H LEU A 66 2.869 -3.809 2.955 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.049 -3.871 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.787 -2.245 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.400 -1.414 4.194 1.00 0.00 H new ATOM 0 HG LEU A 66 0.233 -3.956 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.592 -2.500 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.079 -2.097 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.267 -1.070 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.166 -3.402 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.900 -2.007 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.643 -3.660 4.297 1.00 0.00 H new ATOM 1092 N PHE A 67 0.038 -2.588 1.057 1.00 0.00 N ATOM 1093 CA PHE A 67 0.037 -1.820 -0.184 1.00 0.00 C ATOM 1094 C PHE A 67 -0.785 -0.542 -0.041 1.00 0.00 C ATOM 1095 O PHE A 67 -1.968 -0.585 0.298 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.510 -2.670 -1.332 1.00 0.00 C ATOM 1097 CG PHE A 67 0.104 -4.040 -1.413 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.453 -4.228 -1.148 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.668 -5.139 -1.754 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.018 -5.487 -1.224 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.106 -6.399 -1.832 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.237 -6.574 -1.565 1.00 0.00 C ATOM 0 H PHE A 67 -0.723 -3.263 1.137 1.00 0.00 H new ATOM 0 HA PHE A 67 1.066 -1.539 -0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.589 -2.771 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.338 -2.148 -2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.068 -3.382 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.720 -5.009 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.069 -5.621 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.718 -7.247 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.676 -7.559 -1.623 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.145 0.596 -0.303 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.810 1.889 -0.203 1.00 0.00 C ATOM 1114 C ILE A 68 -0.618 2.708 -1.475 1.00 0.00 C ATOM 1115 O ILE A 68 0.497 3.119 -1.797 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.278 2.707 0.992 1.00 0.00 C ATOM 1117 CG1 ILE A 68 -0.026 1.801 2.201 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.253 3.821 1.349 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.444 1.605 2.507 1.00 0.00 C ATOM 0 H ILE A 68 0.834 0.647 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.870 1.683 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 68 0.671 3.158 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.518 2.228 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.485 0.829 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.863 4.389 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.377 4.484 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.217 3.389 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.551 0.953 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.937 1.150 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.903 2.570 2.719 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.710 2.951 -2.194 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.652 3.732 -3.424 1.00 0.00 C ATOM 1133 C GLN A 69 -1.631 5.223 -3.109 1.00 0.00 C ATOM 1134 O GLN A 69 -2.622 5.927 -3.311 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.839 3.404 -4.328 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.563 3.645 -5.802 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.825 3.651 -6.643 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.579 4.742 -6.570 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -4.118 2.688 -7.351 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.642 2.619 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.733 3.471 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.117 2.360 -4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.695 4.007 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.049 4.599 -5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.889 2.872 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.509 1.870 -7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.970 2.708 -7.912 1.00 0.00 H new ATOM 1148 N MET A 70 -0.492 5.692 -2.606 1.00 0.00 N ATOM 1149 CA MET A 70 -0.327 7.099 -2.255 1.00 0.00 C ATOM 1150 C MET A 70 0.235 7.893 -3.430 1.00 0.00 C ATOM 1151 O MET A 70 0.315 7.392 -4.550 1.00 0.00 O ATOM 1152 CB MET A 70 0.588 7.236 -1.035 1.00 0.00 C ATOM 1153 CG MET A 70 2.006 6.751 -1.279 1.00 0.00 C ATOM 1154 SD MET A 70 3.058 6.927 0.175 1.00 0.00 S ATOM 1155 CE MET A 70 2.631 5.444 1.084 1.00 0.00 C ATOM 0 H MET A 70 0.332 5.116 -2.432 1.00 0.00 H new ATOM 0 HA MET A 70 -1.308 7.506 -2.009 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.618 8.282 -0.730 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.159 6.675 -0.205 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.981 5.704 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.440 7.311 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.049 5.713 1.965 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.042 4.784 0.447 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.542 4.932 1.393 1.00 0.00 H new ATOM 1165 N ASP A 71 0.632 9.134 -3.162 1.00 0.00 N ATOM 1166 CA ASP A 71 1.197 9.999 -4.192 1.00 0.00 C ATOM 1167 C ASP A 71 2.433 10.724 -3.671 1.00 0.00 C ATOM 1168 O ASP A 71 2.364 11.890 -3.283 1.00 0.00 O ATOM 1169 CB ASP A 71 0.157 11.019 -4.662 1.00 0.00 C ATOM 1170 CG ASP A 71 0.677 11.901 -5.781 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.541 12.761 -5.507 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.219 11.732 -6.931 1.00 0.00 O ATOM 0 H ASP A 71 0.572 9.563 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 71 1.489 9.374 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.735 10.494 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.142 11.643 -3.820 1.00 0.00 H new ATOM 1177 N LEU A 72 3.565 10.026 -3.663 1.00 0.00 N ATOM 1178 CA LEU A 72 4.815 10.604 -3.188 1.00 0.00 C ATOM 1179 C LEU A 72 5.494 11.414 -4.288 1.00 0.00 C ATOM 1180 O LEU A 72 5.528 12.644 -4.236 1.00 0.00 O ATOM 1181 CB LEU A 72 5.758 9.504 -2.693 1.00 0.00 C ATOM 1182 CG LEU A 72 5.226 8.675 -1.522 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.264 7.657 -1.076 1.00 0.00 C ATOM 1184 CD2 LEU A 72 4.832 9.581 -0.365 1.00 0.00 C ATOM 0 H LEU A 72 3.641 9.060 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 72 4.583 11.273 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.977 8.833 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.701 9.962 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 72 4.338 8.137 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.869 7.076 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.498 6.989 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.170 8.175 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.456 8.975 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.703 10.146 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.055 10.272 -0.692 1.00 0.00 H new ATOM 1245 N GLU A 77 12.782 13.829 -0.157 1.00 0.00 N ATOM 1246 CA GLU A 77 12.194 13.074 0.944 1.00 0.00 C ATOM 1247 C GLU A 77 10.667 13.107 0.870 1.00 0.00 C ATOM 1248 O GLU A 77 10.061 14.174 0.970 1.00 0.00 O ATOM 1249 CB GLU A 77 12.666 13.641 2.285 1.00 0.00 C ATOM 1250 CG GLU A 77 13.551 12.688 3.072 1.00 0.00 C ATOM 1251 CD GLU A 77 14.996 12.722 2.613 1.00 0.00 C ATOM 1252 OE1 GLU A 77 15.739 13.620 3.059 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.384 11.849 1.808 1.00 0.00 O ATOM 0 HA GLU A 77 12.521 12.038 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.213 14.567 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.795 13.897 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.504 12.944 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.165 11.673 2.972 1.00 0.00 H new ATOM 1260 N PRO A 78 10.019 11.939 0.691 1.00 0.00 N ATOM 1261 CA PRO A 78 8.556 11.850 0.604 1.00 0.00 C ATOM 1262 C PRO A 78 7.876 12.233 1.916 1.00 0.00 C ATOM 1263 O PRO A 78 7.258 11.396 2.574 1.00 0.00 O ATOM 1264 CB PRO A 78 8.291 10.374 0.274 1.00 0.00 C ATOM 1265 CG PRO A 78 9.606 9.818 -0.160 1.00 0.00 C ATOM 1266 CD PRO A 78 10.653 10.620 0.556 1.00 0.00 C ATOM 0 HA PRO A 78 8.156 12.538 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.908 9.841 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.545 10.276 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.685 8.761 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.725 9.897 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.899 10.189 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.581 10.674 -0.014 1.00 0.00 H new ATOM 1274 N ASN A 79 7.991 13.503 2.293 1.00 0.00 N ATOM 1275 CA ASN A 79 7.386 13.994 3.527 1.00 0.00 C ATOM 1276 C ASN A 79 5.888 13.709 3.556 1.00 0.00 C ATOM 1277 O ASN A 79 5.364 12.999 2.697 1.00 0.00 O ATOM 1278 CB ASN A 79 7.639 15.496 3.676 1.00 0.00 C ATOM 1279 CG ASN A 79 8.708 15.803 4.708 1.00 0.00 C ATOM 1280 OD1 ASN A 79 9.506 14.938 5.067 1.00 0.00 O ATOM 1281 ND2 ASN A 79 8.726 17.040 5.191 1.00 0.00 N ATOM 0 H ASN A 79 8.498 14.211 1.762 1.00 0.00 H new ATOM 0 HA ASN A 79 7.847 13.469 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.939 15.908 2.713 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.711 15.992 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.421 17.305 5.889 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.045 17.725 4.864 1.00 0.00 H new ATOM 1288 N GLU A 80 5.204 14.268 4.550 1.00 0.00 N ATOM 1289 CA GLU A 80 3.765 14.078 4.695 1.00 0.00 C ATOM 1290 C GLU A 80 3.419 12.601 4.867 1.00 0.00 C ATOM 1291 O GLU A 80 3.238 12.123 5.987 1.00 0.00 O ATOM 1292 CB GLU A 80 3.029 14.660 3.484 1.00 0.00 C ATOM 1293 CG GLU A 80 2.280 15.947 3.789 1.00 0.00 C ATOM 1294 CD GLU A 80 2.782 17.123 2.972 1.00 0.00 C ATOM 1295 OE1 GLU A 80 3.797 17.731 3.370 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.158 17.435 1.936 1.00 0.00 O ATOM 0 H GLU A 80 5.625 14.857 5.268 1.00 0.00 H new ATOM 0 HA GLU A 80 3.442 14.606 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.749 14.848 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.324 13.919 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.218 15.800 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.379 16.178 4.850 1.00 0.00 H new ATOM 1303 N ALA A 81 3.327 11.884 3.753 1.00 0.00 N ATOM 1304 CA ALA A 81 3.004 10.463 3.781 1.00 0.00 C ATOM 1305 C ALA A 81 4.019 9.684 4.608 1.00 0.00 C ATOM 1306 O ALA A 81 3.657 8.786 5.369 1.00 0.00 O ATOM 1307 CB ALA A 81 2.940 9.909 2.364 1.00 0.00 C ATOM 0 H ALA A 81 3.472 12.264 2.818 1.00 0.00 H new ATOM 0 HA ALA A 81 2.027 10.348 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.698 8.847 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.171 10.438 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.905 10.045 1.876 1.00 0.00 H new ATOM 1313 N TRP A 82 5.292 10.033 4.458 1.00 0.00 N ATOM 1314 CA TRP A 82 6.358 9.363 5.195 1.00 0.00 C ATOM 1315 C TRP A 82 6.515 9.960 6.590 1.00 0.00 C ATOM 1316 O TRP A 82 6.904 9.268 7.530 1.00 0.00 O ATOM 1317 CB TRP A 82 7.680 9.464 4.430 1.00 0.00 C ATOM 1318 CG TRP A 82 8.697 8.451 4.857 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.998 8.689 5.196 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.498 7.038 4.991 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.621 7.511 5.532 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.722 6.484 5.414 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.405 6.188 4.794 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.881 5.119 5.645 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.566 4.835 5.022 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.796 4.312 5.444 1.00 0.00 C ATOM 0 H TRP A 82 5.611 10.774 3.834 1.00 0.00 H new ATOM 0 HA TRP A 82 6.088 8.312 5.299 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.484 9.343 3.365 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.094 10.463 4.567 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.469 9.661 5.200 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.594 7.417 5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.453 6.582 4.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.827 4.713 5.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.729 4.169 4.872 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.889 3.249 5.614 1.00 0.00 H new ATOM 1337 N GLU A 83 6.206 11.246 6.717 1.00 0.00 N ATOM 1338 CA GLU A 83 6.311 11.933 7.999 1.00 0.00 C ATOM 1339 C GLU A 83 5.379 11.303 9.027 1.00 0.00 C ATOM 1340 O GLU A 83 5.676 11.287 10.222 1.00 0.00 O ATOM 1341 CB GLU A 83 5.984 13.418 7.835 1.00 0.00 C ATOM 1342 CG GLU A 83 7.204 14.286 7.571 1.00 0.00 C ATOM 1343 CD GLU A 83 7.120 15.634 8.259 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.400 15.699 9.474 1.00 0.00 O ATOM 1345 OE2 GLU A 83 6.775 16.625 7.581 1.00 0.00 O ATOM 0 H GLU A 83 5.881 11.833 5.949 1.00 0.00 H new ATOM 0 HA GLU A 83 7.336 11.834 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.279 13.537 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.485 13.773 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.098 13.763 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.313 14.437 6.497 1.00 0.00 H new ATOM 1352 N VAL A 84 4.249 10.785 8.554 1.00 0.00 N ATOM 1353 CA VAL A 84 3.272 10.152 9.433 1.00 0.00 C ATOM 1354 C VAL A 84 3.661 8.707 9.727 1.00 0.00 C ATOM 1355 O VAL A 84 3.591 8.256 10.870 1.00 0.00 O ATOM 1356 CB VAL A 84 1.860 10.180 8.817 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.833 9.649 9.808 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.499 11.589 8.370 1.00 0.00 C ATOM 0 H VAL A 84 3.988 10.791 7.568 1.00 0.00 H new ATOM 0 HA VAL A 84 3.262 10.721 10.363 1.00 0.00 H new ATOM 0 HB VAL A 84 1.855 9.532 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.158 9.677 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.082 8.622 10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.839 10.268 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.498 11.588 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.523 12.260 9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.217 11.929 7.623 1.00 0.00 H new ATOM 1368 N VAL A 85 4.071 7.986 8.688 1.00 0.00 N ATOM 1369 CA VAL A 85 4.472 6.593 8.837 1.00 0.00 C ATOM 1370 C VAL A 85 5.655 6.465 9.791 1.00 0.00 C ATOM 1371 O VAL A 85 5.630 5.662 10.722 1.00 0.00 O ATOM 1372 CB VAL A 85 4.850 5.968 7.479 1.00 0.00 C ATOM 1373 CG1 VAL A 85 5.130 4.481 7.633 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.752 6.207 6.455 1.00 0.00 C ATOM 0 H VAL A 85 4.134 8.344 7.735 1.00 0.00 H new ATOM 0 HA VAL A 85 3.616 6.057 9.247 1.00 0.00 H new ATOM 0 HB VAL A 85 5.760 6.450 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.395 4.058 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.956 4.336 8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.240 3.981 8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.038 5.758 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.824 5.755 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.606 7.279 6.321 1.00 0.00 H new ATOM 1384 N ARG A 86 6.687 7.267 9.554 1.00 0.00 N ATOM 1385 CA ARG A 86 7.878 7.246 10.395 1.00 0.00 C ATOM 1386 C ARG A 86 7.596 7.879 11.754 1.00 0.00 C ATOM 1387 O ARG A 86 8.271 7.581 12.741 1.00 0.00 O ATOM 1388 CB ARG A 86 9.029 7.983 9.706 1.00 0.00 C ATOM 1389 CG ARG A 86 10.396 7.650 10.281 1.00 0.00 C ATOM 1390 CD ARG A 86 11.252 6.887 9.282 1.00 0.00 C ATOM 1391 NE ARG A 86 12.549 6.517 9.843 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.735 5.483 10.660 1.00 0.00 C ATOM 1393 NH1 ARG A 86 11.712 4.716 11.016 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.948 5.215 11.123 1.00 0.00 N ATOM 0 H ARG A 86 6.723 7.939 8.787 1.00 0.00 H new ATOM 0 HA ARG A 86 8.163 6.206 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.022 7.739 8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.862 9.057 9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.904 8.570 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.276 7.056 11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.724 5.988 8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.403 7.498 8.392 1.00 0.00 H new ATOM 0 HE ARG A 86 13.359 7.084 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.776 4.917 10.663 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.861 3.925 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.738 5.801 10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.091 4.423 11.749 1.00 0.00 H new ATOM 1408 N GLY A 87 6.596 8.754 11.801 1.00 0.00 N ATOM 1409 CA GLY A 87 6.246 9.416 13.044 1.00 0.00 C ATOM 1410 C GLY A 87 5.358 8.566 13.934 1.00 0.00 C ATOM 1411 O GLY A 87 5.228 8.841 15.128 1.00 0.00 O ATOM 0 H GLY A 87 6.022 9.016 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.158 9.669 13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.737 10.354 12.820 1.00 0.00 H new ATOM 1415 N THR A 88 4.748 7.533 13.361 1.00 0.00 N ATOM 1416 CA THR A 88 3.872 6.651 14.123 1.00 0.00 C ATOM 1417 C THR A 88 4.691 5.651 14.942 1.00 0.00 C ATOM 1418 O THR A 88 5.460 4.867 14.385 1.00 0.00 O ATOM 1419 CB THR A 88 2.919 5.904 13.187 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.458 5.823 11.879 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.553 6.552 13.084 1.00 0.00 C ATOM 0 H THR A 88 4.844 7.287 12.376 1.00 0.00 H new ATOM 0 HA THR A 88 3.286 7.264 14.807 1.00 0.00 H new ATOM 0 HB THR A 88 2.802 4.913 13.625 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.396 5.545 11.929 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.926 5.973 12.405 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.089 6.582 14.070 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.660 7.567 12.702 1.00 0.00 H new ATOM 1429 N PRO A 89 4.538 5.662 16.279 1.00 0.00 N ATOM 1430 CA PRO A 89 5.272 4.749 17.164 1.00 0.00 C ATOM 1431 C PRO A 89 4.868 3.291 16.963 1.00 0.00 C ATOM 1432 O PRO A 89 5.556 2.380 17.425 1.00 0.00 O ATOM 1433 CB PRO A 89 4.889 5.221 18.570 1.00 0.00 C ATOM 1434 CG PRO A 89 3.589 5.924 18.396 1.00 0.00 C ATOM 1435 CD PRO A 89 3.644 6.560 17.035 1.00 0.00 C ATOM 0 HA PRO A 89 6.344 4.776 16.970 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.795 4.380 19.257 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.646 5.887 18.983 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.755 5.226 18.468 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.444 6.675 19.173 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.656 6.622 16.579 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.038 7.575 17.081 1.00 0.00 H new ATOM 1443 N GLY A 90 3.753 3.075 16.272 1.00 0.00 N ATOM 1444 CA GLY A 90 3.285 1.724 16.027 1.00 0.00 C ATOM 1445 C GLY A 90 3.750 1.179 14.691 1.00 0.00 C ATOM 1446 O GLY A 90 3.108 0.300 14.115 1.00 0.00 O ATOM 0 H GLY A 90 3.166 3.811 15.878 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.639 1.071 16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.196 1.709 16.062 1.00 0.00 H new ATOM 1450 N ILE A 91 4.869 1.700 14.195 1.00 0.00 N ATOM 1451 CA ILE A 91 5.417 1.259 12.919 1.00 0.00 C ATOM 1452 C ILE A 91 6.754 0.545 13.118 1.00 0.00 C ATOM 1453 O ILE A 91 7.685 1.100 13.702 1.00 0.00 O ATOM 1454 CB ILE A 91 5.588 2.448 11.941 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.522 1.963 10.491 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.890 3.197 12.200 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.694 1.096 10.082 1.00 0.00 C ATOM 0 H ILE A 91 5.413 2.428 14.658 1.00 0.00 H new ATOM 0 HA ILE A 91 4.707 0.556 12.483 1.00 0.00 H new ATOM 0 HB ILE A 91 4.766 3.143 12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.599 1.401 10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.474 2.828 9.830 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.979 4.025 11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.890 3.584 13.219 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.733 2.518 12.070 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.576 0.792 9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.620 1.660 10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.731 0.211 10.717 1.00 0.00 H new ATOM 1567 N ARG A 100 14.583 4.757 1.530 1.00 0.00 N ATOM 1568 CA ARG A 100 13.380 5.121 0.792 1.00 0.00 C ATOM 1569 C ARG A 100 12.489 3.900 0.567 1.00 0.00 C ATOM 1570 O ARG A 100 12.981 2.782 0.422 1.00 0.00 O ATOM 1571 CB ARG A 100 13.750 5.750 -0.553 1.00 0.00 C ATOM 1572 CG ARG A 100 14.128 7.219 -0.452 1.00 0.00 C ATOM 1573 CD ARG A 100 15.350 7.541 -1.298 1.00 0.00 C ATOM 1574 NE ARG A 100 16.593 7.175 -0.624 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.788 7.654 -0.962 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.906 8.516 -1.965 1.00 0.00 N ATOM 1577 NH2 ARG A 100 18.868 7.270 -0.297 1.00 0.00 N ATOM 0 HA ARG A 100 12.827 5.849 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.584 5.197 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.908 5.646 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.288 7.835 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.328 7.473 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.283 7.011 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.362 8.607 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 100 16.542 6.514 0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.078 8.814 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.824 8.880 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.784 6.607 0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 100 19.784 7.637 -0.556 1.00 0.00 H new ATOM 1591 N PRO A 101 11.160 4.101 0.534 1.00 0.00 N ATOM 1592 CA PRO A 101 10.202 3.010 0.325 1.00 0.00 C ATOM 1593 C PRO A 101 10.305 2.414 -1.075 1.00 0.00 C ATOM 1594 O PRO A 101 10.895 3.014 -1.973 1.00 0.00 O ATOM 1595 CB PRO A 101 8.842 3.682 0.524 1.00 0.00 C ATOM 1596 CG PRO A 101 9.082 5.124 0.242 1.00 0.00 C ATOM 1597 CD PRO A 101 10.488 5.402 0.696 1.00 0.00 C ATOM 0 HA PRO A 101 10.379 2.176 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.094 3.267 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.473 3.534 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.964 5.340 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.368 5.751 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.960 6.177 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.517 5.743 1.731 1.00 0.00 H new ATOM 1605 N VAL A 102 9.728 1.229 -1.254 1.00 0.00 N ATOM 1606 CA VAL A 102 9.759 0.554 -2.545 1.00 0.00 C ATOM 1607 C VAL A 102 8.349 0.196 -3.018 1.00 0.00 C ATOM 1608 O VAL A 102 7.658 -0.598 -2.379 1.00 0.00 O ATOM 1609 CB VAL A 102 10.606 -0.732 -2.486 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.760 -1.340 -3.872 1.00 0.00 C ATOM 1611 CG2 VAL A 102 11.967 -0.448 -1.867 1.00 0.00 C ATOM 0 H VAL A 102 9.235 0.718 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 102 10.211 1.250 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 102 10.088 -1.454 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.361 -2.247 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.777 -1.585 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.253 -0.625 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.551 -1.368 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.493 0.294 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.834 -0.066 -0.855 1.00 0.00 H new ATOM 1621 N PRO A 103 7.901 0.777 -4.146 1.00 0.00 N ATOM 1622 CA PRO A 103 6.570 0.508 -4.693 1.00 0.00 C ATOM 1623 C PRO A 103 6.505 -0.835 -5.415 1.00 0.00 C ATOM 1624 O PRO A 103 7.528 -1.485 -5.629 1.00 0.00 O ATOM 1625 CB PRO A 103 6.362 1.656 -5.679 1.00 0.00 C ATOM 1626 CG PRO A 103 7.734 2.007 -6.141 1.00 0.00 C ATOM 1627 CD PRO A 103 8.653 1.739 -4.977 1.00 0.00 C ATOM 0 HA PRO A 103 5.808 0.450 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.728 1.353 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.875 2.506 -5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.018 1.408 -7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.786 3.052 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.605 1.323 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.878 2.653 -4.427 1.00 0.00 H new ATOM 1635 N LEU A 104 5.299 -1.245 -5.789 1.00 0.00 N ATOM 1636 CA LEU A 104 5.106 -2.513 -6.485 1.00 0.00 C ATOM 1637 C LEU A 104 5.200 -2.324 -7.997 1.00 0.00 C ATOM 1638 O LEU A 104 4.998 -1.222 -8.508 1.00 0.00 O ATOM 1639 CB LEU A 104 3.749 -3.120 -6.120 1.00 0.00 C ATOM 1640 CG LEU A 104 3.567 -3.449 -4.635 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.687 -2.407 -3.962 1.00 0.00 C ATOM 1642 CD2 LEU A 104 2.974 -4.840 -4.465 1.00 0.00 C ATOM 0 H LEU A 104 4.441 -0.719 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 104 5.897 -3.194 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.964 -2.426 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.608 -4.033 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 104 4.546 -3.433 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.569 -2.657 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.152 -1.425 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.709 -2.391 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.852 -5.056 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.003 -4.884 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.642 -5.577 -4.911 1.00 0.00 H new ATOM 1654 N SER A 105 5.505 -3.406 -8.705 1.00 0.00 N ATOM 1655 CA SER A 105 5.626 -3.361 -10.158 1.00 0.00 C ATOM 1656 C SER A 105 4.250 -3.416 -10.821 1.00 0.00 C ATOM 1657 O SER A 105 3.314 -3.999 -10.276 1.00 0.00 O ATOM 1658 CB SER A 105 6.492 -4.518 -10.656 1.00 0.00 C ATOM 1659 OG SER A 105 7.681 -4.632 -9.893 1.00 0.00 O ATOM 0 H SER A 105 5.673 -4.325 -8.296 1.00 0.00 H new ATOM 0 HA SER A 105 6.103 -2.419 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.928 -5.449 -10.598 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.743 -4.363 -11.705 1.00 0.00 H new ATOM 0 HG SER A 105 8.216 -5.380 -10.231 1.00 0.00 H new ATOM 1665 N PRO A 106 4.112 -2.806 -12.011 1.00 0.00 N ATOM 1666 CA PRO A 106 2.843 -2.787 -12.747 1.00 0.00 C ATOM 1667 C PRO A 106 2.216 -4.173 -12.862 1.00 0.00 C ATOM 1668 O PRO A 106 0.993 -4.309 -12.899 1.00 0.00 O ATOM 1669 CB PRO A 106 3.245 -2.264 -14.126 1.00 0.00 C ATOM 1670 CG PRO A 106 4.454 -1.432 -13.876 1.00 0.00 C ATOM 1671 CD PRO A 106 5.180 -2.087 -12.732 1.00 0.00 C ATOM 0 HA PRO A 106 2.090 -2.178 -12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.462 -3.083 -14.812 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.445 -1.675 -14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.086 -1.385 -14.763 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.178 -0.407 -13.627 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.954 -2.768 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.670 -1.351 -12.094 1.00 0.00 H new ATOM 1679 N ASP A 107 3.059 -5.197 -12.921 1.00 0.00 N ATOM 1680 CA ASP A 107 2.585 -6.572 -13.032 1.00 0.00 C ATOM 1681 C ASP A 107 2.098 -7.090 -11.682 1.00 0.00 C ATOM 1682 O ASP A 107 1.036 -7.704 -11.589 1.00 0.00 O ATOM 1683 CB ASP A 107 3.698 -7.475 -13.571 1.00 0.00 C ATOM 1684 CG ASP A 107 3.374 -8.036 -14.942 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.119 -7.236 -15.866 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.373 -9.276 -15.091 1.00 0.00 O ATOM 0 H ASP A 107 4.074 -5.102 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 107 1.747 -6.587 -13.729 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.628 -6.909 -13.624 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.864 -8.297 -12.875 1.00 0.00 H new ATOM 1691 N GLU A 108 2.880 -6.835 -10.639 1.00 0.00 N ATOM 1692 CA GLU A 108 2.527 -7.275 -9.294 1.00 0.00 C ATOM 1693 C GLU A 108 1.352 -6.469 -8.748 1.00 0.00 C ATOM 1694 O GLU A 108 0.535 -6.982 -7.984 1.00 0.00 O ATOM 1695 CB GLU A 108 3.730 -7.138 -8.358 1.00 0.00 C ATOM 1696 CG GLU A 108 4.789 -8.208 -8.568 1.00 0.00 C ATOM 1697 CD GLU A 108 5.749 -8.314 -7.401 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.320 -8.067 -6.254 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.932 -8.642 -7.633 1.00 0.00 O ATOM 0 H GLU A 108 3.762 -6.326 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 108 2.233 -8.323 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.183 -6.157 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.383 -7.180 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.302 -9.171 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.350 -7.986 -9.476 1.00 0.00 H new ATOM 1706 N VAL A 109 1.275 -5.203 -9.146 1.00 0.00 N ATOM 1707 CA VAL A 109 0.201 -4.325 -8.698 1.00 0.00 C ATOM 1708 C VAL A 109 -1.158 -4.849 -9.150 1.00 0.00 C ATOM 1709 O VAL A 109 -2.070 -5.009 -8.341 1.00 0.00 O ATOM 1710 CB VAL A 109 0.397 -2.889 -9.229 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.737 -1.983 -8.769 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.742 -2.335 -8.783 1.00 0.00 C ATOM 0 H VAL A 109 1.944 -4.763 -9.778 1.00 0.00 H new ATOM 0 HA VAL A 109 0.232 -4.307 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 109 0.383 -2.922 -10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.578 -0.976 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.685 -2.369 -9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.761 -1.954 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.863 -1.322 -9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.786 -2.319 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.542 -2.967 -9.169 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.288 -5.119 -10.442 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.540 -5.630 -10.985 1.00 0.00 C ATOM 1724 C ARG A 110 -2.894 -6.974 -10.354 1.00 0.00 C ATOM 1725 O ARG A 110 -4.062 -7.359 -10.306 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.444 -5.771 -12.506 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.657 -5.227 -13.245 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.187 -6.226 -14.263 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.309 -6.343 -15.424 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.568 -7.117 -16.474 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.678 -7.845 -16.513 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -2.715 -7.167 -17.489 1.00 0.00 N ATOM 0 H ARG A 110 -0.546 -4.994 -11.131 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.330 -4.918 -10.747 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.552 -5.250 -12.855 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.317 -6.824 -12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.442 -4.985 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.390 -4.299 -13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.295 -7.202 -13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.180 -5.918 -14.589 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.446 -5.799 -15.430 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.337 -7.812 -15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.872 -8.437 -17.321 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.860 -6.612 -17.464 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.914 -7.761 -18.294 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.878 -7.681 -9.868 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.086 -8.978 -9.237 1.00 0.00 C ATOM 1748 C HIS A 111 -2.635 -8.808 -7.825 1.00 0.00 C ATOM 1749 O HIS A 111 -3.647 -9.410 -7.467 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.778 -9.773 -9.202 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.700 -10.843 -10.246 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.435 -10.583 -11.574 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.852 -12.185 -10.151 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.431 -11.717 -12.251 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.680 -12.704 -11.410 1.00 0.00 N ATOM 0 H HIS A 111 -0.905 -7.377 -9.899 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.816 -9.531 -9.828 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.058 -9.087 -9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.665 -10.228 -8.218 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -0.268 -9.659 -11.972 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.068 -12.743 -9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.254 -11.820 -13.311 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.969 -7.978 -7.027 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.409 -7.732 -5.660 1.00 0.00 C ATOM 1766 C ILE A 112 -3.711 -6.930 -5.644 1.00 0.00 C ATOM 1767 O ILE A 112 -4.400 -6.867 -4.627 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.332 -6.991 -4.837 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.134 -5.566 -5.356 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.019 -7.759 -4.876 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.053 -4.558 -4.702 1.00 0.00 C ATOM 0 H ILE A 112 -1.129 -7.469 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.581 -8.705 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.672 -6.930 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.099 -5.266 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.299 -5.553 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.732 -7.226 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.167 -8.754 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.320 -7.848 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.860 -3.568 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.090 -4.835 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.872 -4.544 -3.627 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.045 -6.325 -6.784 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.267 -5.538 -6.907 1.00 0.00 C ATOM 1785 C LEU A 113 -6.473 -6.446 -7.122 1.00 0.00 C ATOM 1786 O LEU A 113 -7.565 -6.174 -6.623 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.145 -4.549 -8.072 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.094 -3.075 -7.670 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -3.655 -2.606 -7.533 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.839 -2.220 -8.686 1.00 0.00 C ATOM 0 H LEU A 113 -3.484 -6.366 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.410 -4.982 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.244 -4.787 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.990 -4.697 -8.744 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.583 -2.967 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.641 -1.554 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.151 -3.197 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.140 -2.729 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.793 -1.174 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.378 -2.336 -9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.880 -2.538 -8.735 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.267 -7.528 -7.869 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.339 -8.476 -8.152 1.00 0.00 C ATOM 1804 C GLU A 114 -7.545 -9.430 -6.979 1.00 0.00 C ATOM 1805 O GLU A 114 -8.670 -9.837 -6.688 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.026 -9.270 -9.422 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.244 -9.529 -10.293 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.882 -9.772 -11.746 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.178 -10.765 -12.023 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.302 -8.968 -12.604 1.00 0.00 O ATOM 0 H GLU A 114 -5.369 -7.769 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.259 -7.911 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.281 -8.728 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.580 -10.224 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.784 -10.394 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.920 -8.676 -10.229 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.454 -9.781 -6.310 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.516 -10.684 -5.168 1.00 0.00 C ATOM 1819 C VAL A 115 -7.065 -9.972 -3.938 1.00 0.00 C ATOM 1820 O VAL A 115 -7.937 -10.494 -3.242 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.130 -11.268 -4.832 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.242 -12.323 -3.743 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.478 -11.846 -6.079 1.00 0.00 C ATOM 0 H VAL A 115 -5.515 -9.454 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.185 -11.498 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.498 -10.462 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.253 -12.723 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.663 -11.874 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.891 -13.130 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.500 -12.254 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.107 -12.639 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.359 -11.060 -6.825 1.00 0.00 H new ATOM 1833 N SER A 116 -6.551 -8.774 -3.676 1.00 0.00 N ATOM 1834 CA SER A 116 -6.992 -7.988 -2.529 1.00 0.00 C ATOM 1835 C SER A 116 -8.480 -7.673 -2.632 1.00 0.00 C ATOM 1836 O SER A 116 -9.240 -7.908 -1.694 1.00 0.00 O ATOM 1837 CB SER A 116 -6.187 -6.692 -2.434 1.00 0.00 C ATOM 1838 OG SER A 116 -4.818 -6.958 -2.181 1.00 0.00 O ATOM 0 H SER A 116 -5.830 -8.327 -4.242 1.00 0.00 H new ATOM 0 HA SER A 116 -6.824 -8.576 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.286 -6.130 -3.363 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.592 -6.066 -1.639 1.00 0.00 H new ATOM 0 HG SER A 116 -4.288 -6.727 -2.972 1.00 0.00 H new ATOM 1844 N GLY A 117 -8.891 -7.141 -3.780 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.289 -6.806 -3.982 1.00 0.00 C ATOM 1846 C GLY A 117 -10.476 -5.444 -4.623 1.00 0.00 C ATOM 1847 O GLY A 117 -11.039 -4.537 -4.011 1.00 0.00 O ATOM 0 H GLY A 117 -8.282 -6.936 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.754 -7.566 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.806 -6.826 -3.023 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.006 -5.302 -5.859 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.129 -4.040 -6.580 1.00 0.00 C ATOM 1853 C LEU A 118 -10.552 -4.279 -8.028 1.00 0.00 C ATOM 1854 O LEU A 118 -11.489 -3.653 -8.521 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.804 -3.272 -6.546 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.444 -2.654 -5.191 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.236 -1.736 -5.330 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.629 -1.894 -4.614 1.00 0.00 C ATOM 0 H LEU A 118 -9.538 -6.043 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.898 -3.445 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.003 -3.948 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.844 -2.477 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.189 -3.460 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.993 -1.305 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.384 -2.309 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.466 -0.937 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.351 -1.463 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.918 -1.097 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.468 -2.577 -4.478 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.856 -5.190 -8.701 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.160 -5.510 -10.090 1.00 0.00 C ATOM 1872 C LEU A 119 -11.231 -6.595 -10.176 1.00 0.00 C ATOM 1873 O LEU A 119 -12.237 -6.434 -10.867 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.892 -5.965 -10.819 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.299 -4.935 -11.785 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -6.781 -4.925 -11.690 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.743 -5.226 -13.211 1.00 0.00 C ATOM 0 H LEU A 119 -9.078 -5.719 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.543 -4.610 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.136 -6.223 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.117 -6.875 -11.375 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.666 -3.948 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.378 -4.187 -12.384 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.482 -4.669 -10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.394 -5.912 -11.945 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.313 -4.485 -13.884 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.404 -6.220 -13.502 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.831 -5.182 -13.270 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.006 -7.698 -9.470 1.00 0.00 N ATOM 1890 CA GLY A 120 -11.959 -8.792 -9.481 1.00 0.00 C ATOM 1891 C GLY A 120 -11.416 -10.027 -10.173 1.00 0.00 C ATOM 1892 O GLY A 120 -10.991 -10.965 -9.465 1.00 0.00 O ATOM 1893 OXT GLY A 120 -11.416 -10.056 -11.420 1.00 0.00 O ATOM 0 H GLY A 120 -10.181 -7.854 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.231 -9.044 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.872 -8.470 -9.983 1.00 0.00 H new