USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=10 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 : no HD1:sc= -1.51 X(o=-1.6,f=-1.6!) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= -0.0979 USER MOD Single : A 6 TYR OH : rot 165:sc= 0 USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.0998 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.058) 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=-0.00995 X(o=-0.01,f=0.11) 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= -0.212 K(o=-0.21,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= 1.27 (180deg=-0.592) USER MOD Single : A 37 GLN : amide:sc=-0.00282 X(o=-0.0028,f=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+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.47 F(o=-2,f=-1.5) USER MOD Single : A 70 MET CE :methyl -164:sc= -0.346 (180deg=-1.09) USER MOD Single : A 79 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.24) USER MOD Single : A 88 THR OG1 : rot -8:sc= 0.618 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.47) USER MOD Single : A 116 SER OG : rot -59:sc= -2.15! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.535 8.369 -9.062 1.00 0.00 N ATOM 15 CA ILE A 3 0.791 7.789 -7.750 1.00 0.00 C ATOM 16 C ILE A 3 1.370 6.381 -7.880 1.00 0.00 C ATOM 17 O ILE A 3 1.610 5.905 -8.989 1.00 0.00 O ATOM 18 CB ILE A 3 -0.495 7.753 -6.895 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.444 6.649 -7.368 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.191 9.104 -6.944 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.924 6.832 -8.792 1.00 0.00 C ATOM 0 HA ILE A 3 1.522 8.424 -7.249 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.213 7.534 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.939 5.687 -7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.308 6.614 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.097 9.069 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.523 9.872 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.453 9.341 -7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.592 6.013 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.458 7.778 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.068 6.836 -9.467 1.00 0.00 H new ATOM 33 N GLU A 4 1.600 5.718 -6.750 1.00 0.00 N ATOM 34 CA GLU A 4 2.157 4.371 -6.770 1.00 0.00 C ATOM 35 C GLU A 4 1.894 3.620 -5.466 1.00 0.00 C ATOM 36 O GLU A 4 1.606 4.223 -4.428 1.00 0.00 O ATOM 37 CB GLU A 4 3.661 4.427 -7.039 1.00 0.00 C ATOM 38 CG GLU A 4 4.205 3.179 -7.715 1.00 0.00 C ATOM 39 CD GLU A 4 5.151 3.498 -8.856 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.673 3.959 -9.914 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.371 3.286 -8.692 1.00 0.00 O ATOM 0 H GLU A 4 1.411 6.088 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 4 1.659 3.827 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.878 5.293 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.185 4.577 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.725 2.568 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.374 2.584 -8.093 1.00 0.00 H new ATOM 48 N TRP A 5 2.004 2.294 -5.538 1.00 0.00 N ATOM 49 CA TRP A 5 1.792 1.434 -4.380 1.00 0.00 C ATOM 50 C TRP A 5 3.106 1.178 -3.651 1.00 0.00 C ATOM 51 O TRP A 5 3.824 0.228 -3.963 1.00 0.00 O ATOM 52 CB TRP A 5 1.188 0.096 -4.817 1.00 0.00 C ATOM 53 CG TRP A 5 -0.254 0.180 -5.216 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.746 0.388 -6.470 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.389 0.045 -4.355 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.120 0.394 -6.442 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.538 0.187 -5.154 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.544 -0.179 -2.984 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.825 0.108 -4.627 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.821 -0.255 -2.465 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.947 -0.114 -3.284 1.00 0.00 C ATOM 0 H TRP A 5 2.240 1.792 -6.394 1.00 0.00 H new ATOM 0 HA TRP A 5 1.103 1.941 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.764 -0.295 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.288 -0.620 -4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.144 0.528 -7.356 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.729 0.530 -7.249 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.682 -0.290 -2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.695 0.218 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.954 -0.427 -1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.932 -0.182 -2.846 1.00 0.00 H new ATOM 72 N TYR A 6 3.419 2.026 -2.679 1.00 0.00 N ATOM 73 CA TYR A 6 4.651 1.881 -1.913 1.00 0.00 C ATOM 74 C TYR A 6 4.472 0.880 -0.778 1.00 0.00 C ATOM 75 O TYR A 6 3.784 1.155 0.205 1.00 0.00 O ATOM 76 CB TYR A 6 5.094 3.235 -1.358 1.00 0.00 C ATOM 77 CG TYR A 6 5.711 4.138 -2.402 1.00 0.00 C ATOM 78 CD1 TYR A 6 7.032 3.973 -2.797 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.972 5.154 -2.993 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.600 4.795 -3.752 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.531 5.980 -3.949 1.00 0.00 C ATOM 82 CZ TYR A 6 6.845 5.797 -4.324 1.00 0.00 C ATOM 83 OH TYR A 6 7.407 6.619 -5.274 1.00 0.00 O ATOM 0 H TYR A 6 2.839 2.819 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 6 5.424 1.504 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.234 3.738 -0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.815 3.073 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.626 3.189 -2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.943 5.301 -2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.629 4.653 -4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.942 6.765 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 6 6.699 7.105 -5.746 1.00 0.00 H new ATOM 93 N ALA A 7 5.096 -0.287 -0.922 1.00 0.00 N ATOM 94 CA ALA A 7 5.005 -1.333 0.089 1.00 0.00 C ATOM 95 C ALA A 7 6.007 -1.100 1.214 1.00 0.00 C ATOM 96 O ALA A 7 7.087 -0.550 0.994 1.00 0.00 O ATOM 97 CB ALA A 7 5.226 -2.698 -0.542 1.00 0.00 C ATOM 0 H ALA A 7 5.670 -0.530 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 7 4.004 -1.301 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.155 -3.469 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.467 -2.874 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.215 -2.731 -1.000 1.00 0.00 H new ATOM 103 N VAL A 8 5.643 -1.525 2.420 1.00 0.00 N ATOM 104 CA VAL A 8 6.511 -1.364 3.579 1.00 0.00 C ATOM 105 C VAL A 8 6.461 -2.596 4.477 1.00 0.00 C ATOM 106 O VAL A 8 5.771 -3.569 4.175 1.00 0.00 O ATOM 107 CB VAL A 8 6.121 -0.123 4.406 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.317 1.146 3.588 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.684 -0.237 4.893 1.00 0.00 C ATOM 0 H VAL A 8 4.754 -1.983 2.619 1.00 0.00 H new ATOM 0 HA VAL A 8 7.525 -1.234 3.200 1.00 0.00 H new ATOM 0 HB VAL A 8 6.772 -0.069 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.037 2.012 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.363 1.231 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.692 1.104 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.426 0.648 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.015 -0.316 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.581 -1.125 5.517 1.00 0.00 H new ATOM 119 N HIS A 9 7.201 -2.549 5.581 1.00 0.00 N ATOM 120 CA HIS A 9 7.241 -3.664 6.521 1.00 0.00 C ATOM 121 C HIS A 9 6.491 -3.325 7.804 1.00 0.00 C ATOM 122 O HIS A 9 6.615 -2.222 8.335 1.00 0.00 O ATOM 123 CB HIS A 9 8.690 -4.031 6.843 1.00 0.00 C ATOM 124 CG HIS A 9 9.397 -4.721 5.718 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.831 -6.027 5.788 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.745 -4.277 4.486 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.417 -6.356 4.650 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.377 -5.313 3.844 1.00 0.00 N ATOM 0 H HIS A 9 7.780 -1.752 5.846 1.00 0.00 H new ATOM 0 HA HIS A 9 6.751 -4.518 6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.237 -3.124 7.103 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.706 -4.676 7.721 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.560 -3.292 4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.854 -7.316 4.419 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.754 -5.281 2.897 1.00 0.00 H new ATOM 137 N THR A 10 5.713 -4.283 8.300 1.00 0.00 N ATOM 138 CA THR A 10 4.941 -4.086 9.522 1.00 0.00 C ATOM 139 C THR A 10 5.144 -5.251 10.487 1.00 0.00 C ATOM 140 O THR A 10 5.898 -6.181 10.205 1.00 0.00 O ATOM 141 CB THR A 10 3.455 -3.933 9.191 1.00 0.00 C ATOM 142 OG1 THR A 10 2.890 -5.182 8.830 1.00 0.00 O ATOM 143 CG2 THR A 10 3.192 -2.966 8.058 1.00 0.00 C ATOM 0 H THR A 10 5.601 -5.203 7.874 1.00 0.00 H new ATOM 0 HA THR A 10 5.294 -3.174 10.004 1.00 0.00 H new ATOM 0 HB THR A 10 2.996 -3.539 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.267 -5.056 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.119 -2.904 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.572 -1.980 8.326 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.695 -3.316 7.157 1.00 0.00 H new ATOM 151 N LEU A 11 4.463 -5.191 11.627 1.00 0.00 N ATOM 152 CA LEU A 11 4.569 -6.240 12.637 1.00 0.00 C ATOM 153 C LEU A 11 3.633 -7.403 12.319 1.00 0.00 C ATOM 154 O LEU A 11 2.417 -7.231 12.232 1.00 0.00 O ATOM 155 CB LEU A 11 4.244 -5.676 14.023 1.00 0.00 C ATOM 156 CG LEU A 11 5.439 -5.104 14.785 1.00 0.00 C ATOM 157 CD1 LEU A 11 6.423 -6.206 15.144 1.00 0.00 C ATOM 158 CD2 LEU A 11 6.125 -4.021 13.964 1.00 0.00 C ATOM 0 H LEU A 11 3.833 -4.429 11.875 1.00 0.00 H new ATOM 0 HA LEU A 11 5.594 -6.611 12.631 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.494 -4.893 13.913 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.794 -6.466 14.624 1.00 0.00 H new ATOM 0 HG LEU A 11 5.075 -4.657 15.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.266 -5.778 15.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.927 -6.947 15.771 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.782 -6.684 14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.974 -3.625 14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.475 -4.445 13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.418 -3.217 13.759 1.00 0.00 H new ATOM 170 N VAL A 12 4.210 -8.588 12.147 1.00 0.00 N ATOM 171 CA VAL A 12 3.430 -9.781 11.842 1.00 0.00 C ATOM 172 C VAL A 12 2.398 -10.054 12.930 1.00 0.00 C ATOM 173 O VAL A 12 2.746 -10.262 14.093 1.00 0.00 O ATOM 174 CB VAL A 12 4.336 -11.018 11.680 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.088 -11.307 12.970 1.00 0.00 C ATOM 176 CG2 VAL A 12 3.521 -12.228 11.245 1.00 0.00 C ATOM 0 H VAL A 12 5.215 -8.747 12.214 1.00 0.00 H new ATOM 0 HA VAL A 12 2.916 -9.593 10.899 1.00 0.00 H new ATOM 0 HB VAL A 12 5.069 -10.805 10.902 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.721 -12.184 12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.708 -10.449 13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.375 -11.496 13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.179 -13.090 11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.761 -12.444 11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.038 -12.018 10.291 1.00 0.00 H new ATOM 186 N GLY A 13 1.126 -10.047 12.548 1.00 0.00 N ATOM 187 CA GLY A 13 0.062 -10.291 13.504 1.00 0.00 C ATOM 188 C GLY A 13 -0.538 -9.006 14.038 1.00 0.00 C ATOM 189 O GLY A 13 -1.713 -8.966 14.403 1.00 0.00 O ATOM 0 H GLY A 13 0.812 -9.877 11.593 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.720 -10.885 13.030 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.451 -10.880 14.334 1.00 0.00 H new ATOM 193 N GLN A 14 0.270 -7.951 14.081 1.00 0.00 N ATOM 194 CA GLN A 14 -0.185 -6.657 14.571 1.00 0.00 C ATOM 195 C GLN A 14 -0.565 -5.728 13.417 1.00 0.00 C ATOM 196 O GLN A 14 -0.978 -4.591 13.639 1.00 0.00 O ATOM 197 CB GLN A 14 0.900 -6.004 15.428 1.00 0.00 C ATOM 198 CG GLN A 14 0.353 -5.252 16.632 1.00 0.00 C ATOM 199 CD GLN A 14 0.876 -5.795 17.948 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.085 -5.923 18.143 1.00 0.00 O ATOM 201 NE2 GLN A 14 -0.034 -6.118 18.858 1.00 0.00 N ATOM 0 H GLN A 14 1.245 -7.968 13.781 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.073 -6.825 15.180 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.591 -6.773 15.773 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.474 -5.314 14.809 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.617 -4.198 16.548 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.736 -5.309 16.627 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.026 -5.995 18.653 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.258 -6.489 19.762 1.00 0.00 H new ATOM 210 N GLU A 15 -0.423 -6.216 12.185 1.00 0.00 N ATOM 211 CA GLU A 15 -0.753 -5.425 11.002 1.00 0.00 C ATOM 212 C GLU A 15 -2.117 -4.755 11.148 1.00 0.00 C ATOM 213 O GLU A 15 -2.283 -3.582 10.812 1.00 0.00 O ATOM 214 CB GLU A 15 -0.740 -6.306 9.751 1.00 0.00 C ATOM 215 CG GLU A 15 0.547 -7.095 9.576 1.00 0.00 C ATOM 216 CD GLU A 15 0.315 -8.593 9.554 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.690 -9.047 10.142 1.00 0.00 O ATOM 218 OE2 GLU A 15 1.137 -9.313 8.948 1.00 0.00 O ATOM 0 H GLU A 15 -0.082 -7.155 11.981 1.00 0.00 H new ATOM 0 HA GLU A 15 0.003 -4.647 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.579 -7.001 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.894 -5.678 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.031 -6.792 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.232 -6.849 10.387 1.00 0.00 H new ATOM 225 N GLU A 16 -3.092 -5.507 11.653 1.00 0.00 N ATOM 226 CA GLU A 16 -4.441 -4.985 11.845 1.00 0.00 C ATOM 227 C GLU A 16 -4.421 -3.714 12.689 1.00 0.00 C ATOM 228 O GLU A 16 -5.179 -2.778 12.439 1.00 0.00 O ATOM 229 CB GLU A 16 -5.330 -6.039 12.507 1.00 0.00 C ATOM 230 CG GLU A 16 -4.852 -6.455 13.890 1.00 0.00 C ATOM 231 CD GLU A 16 -5.516 -5.662 14.999 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.079 -4.586 14.706 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.470 -6.116 16.161 1.00 0.00 O ATOM 0 H GLU A 16 -2.972 -6.480 11.936 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.850 -4.740 10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.345 -5.650 12.584 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.374 -6.920 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.054 -7.516 14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.772 -6.324 13.952 1.00 0.00 H new ATOM 240 N LYS A 17 -3.545 -3.690 13.688 1.00 0.00 N ATOM 241 CA LYS A 17 -3.422 -2.535 14.568 1.00 0.00 C ATOM 242 C LYS A 17 -2.422 -1.529 14.005 1.00 0.00 C ATOM 243 O LYS A 17 -2.528 -0.327 14.252 1.00 0.00 O ATOM 244 CB LYS A 17 -2.991 -2.978 15.970 1.00 0.00 C ATOM 245 CG LYS A 17 -3.936 -2.518 17.068 1.00 0.00 C ATOM 246 CD LYS A 17 -3.176 -2.072 18.308 1.00 0.00 C ATOM 247 CE LYS A 17 -3.831 -2.590 19.578 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.824 -2.955 20.613 1.00 0.00 N ATOM 0 H LYS A 17 -2.910 -4.457 13.908 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.397 -2.052 14.634 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.921 -4.066 15.993 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.993 -2.590 16.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.549 -1.695 16.700 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.615 -3.330 17.329 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.148 -2.431 18.255 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.132 -0.983 18.338 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.502 -1.829 19.977 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.442 -3.462 19.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.311 -3.304 21.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.199 -3.699 20.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.258 -2.117 20.857 1.00 0.00 H new ATOM 262 N ALA A 18 -1.450 -2.028 13.246 1.00 0.00 N ATOM 263 CA ALA A 18 -0.434 -1.174 12.648 1.00 0.00 C ATOM 264 C ALA A 18 -1.055 -0.190 11.662 1.00 0.00 C ATOM 265 O ALA A 18 -0.963 1.025 11.841 1.00 0.00 O ATOM 266 CB ALA A 18 0.625 -2.021 11.955 1.00 0.00 C ATOM 0 H ALA A 18 -1.347 -3.020 13.032 1.00 0.00 H new ATOM 0 HA ALA A 18 0.039 -0.600 13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.379 -1.370 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.097 -2.680 12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.158 -2.620 11.173 1.00 0.00 H new ATOM 272 N LYS A 19 -1.689 -0.722 10.621 1.00 0.00 N ATOM 273 CA LYS A 19 -2.326 0.113 9.609 1.00 0.00 C ATOM 274 C LYS A 19 -3.456 0.937 10.221 1.00 0.00 C ATOM 275 O LYS A 19 -3.648 2.101 9.869 1.00 0.00 O ATOM 276 CB LYS A 19 -2.867 -0.752 8.468 1.00 0.00 C ATOM 277 CG LYS A 19 -4.021 -1.654 8.878 1.00 0.00 C ATOM 278 CD LYS A 19 -4.486 -2.526 7.721 1.00 0.00 C ATOM 279 CE LYS A 19 -4.756 -3.952 8.172 1.00 0.00 C ATOM 280 NZ LYS A 19 -6.208 -4.195 8.403 1.00 0.00 N ATOM 0 H LYS A 19 -1.775 -1.725 10.457 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.576 0.796 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.196 -0.103 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.058 -1.368 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.712 -2.286 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.852 -1.045 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.392 -2.103 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.728 -2.528 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.387 -4.647 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.203 -4.154 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.351 -5.179 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.555 -3.549 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.733 -4.027 7.521 1.00 0.00 H new ATOM 294 N ALA A 20 -4.197 0.326 11.139 1.00 0.00 N ATOM 295 CA ALA A 20 -5.304 1.004 11.801 1.00 0.00 C ATOM 296 C ALA A 20 -4.818 2.241 12.548 1.00 0.00 C ATOM 297 O ALA A 20 -5.439 3.304 12.481 1.00 0.00 O ATOM 298 CB ALA A 20 -6.010 0.053 12.756 1.00 0.00 C ATOM 0 H ALA A 20 -4.051 -0.637 11.441 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.012 1.325 11.037 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.835 0.573 13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.397 -0.800 12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.304 -0.296 13.510 1.00 0.00 H new ATOM 304 N ASN A 21 -3.702 2.098 13.255 1.00 0.00 N ATOM 305 CA ASN A 21 -3.130 3.204 14.012 1.00 0.00 C ATOM 306 C ASN A 21 -2.727 4.343 13.079 1.00 0.00 C ATOM 307 O ASN A 21 -2.911 5.518 13.402 1.00 0.00 O ATOM 308 CB ASN A 21 -1.919 2.728 14.816 1.00 0.00 C ATOM 309 CG ASN A 21 -2.247 2.507 16.279 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.212 1.379 16.772 1.00 0.00 O ATOM 311 ND2 ASN A 21 -2.569 3.586 16.984 1.00 0.00 N ATOM 0 H ASN A 21 -3.176 1.226 13.319 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.887 3.574 14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.543 1.799 14.386 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.119 3.464 14.733 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.800 3.498 17.974 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.586 4.502 16.536 1.00 0.00 H new ATOM 318 N LEU A 22 -2.178 3.987 11.922 1.00 0.00 N ATOM 319 CA LEU A 22 -1.754 4.979 10.943 1.00 0.00 C ATOM 320 C LEU A 22 -2.955 5.726 10.376 1.00 0.00 C ATOM 321 O LEU A 22 -2.987 6.958 10.374 1.00 0.00 O ATOM 322 CB LEU A 22 -0.976 4.307 9.808 1.00 0.00 C ATOM 323 CG LEU A 22 -0.550 5.241 8.673 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.373 6.329 9.196 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.128 4.453 7.561 1.00 0.00 C ATOM 0 H LEU A 22 -2.017 3.020 11.641 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.104 5.695 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.085 3.839 10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.590 3.509 9.390 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.442 5.715 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.666 6.984 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.146 6.912 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.262 5.873 9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.424 5.133 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.011 3.951 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.565 3.710 7.167 1.00 0.00 H new ATOM 337 N GLU A 23 -3.945 4.975 9.900 1.00 0.00 N ATOM 338 CA GLU A 23 -5.154 5.565 9.331 1.00 0.00 C ATOM 339 C GLU A 23 -5.712 6.657 10.243 1.00 0.00 C ATOM 340 O GLU A 23 -6.303 7.628 9.772 1.00 0.00 O ATOM 341 CB GLU A 23 -6.211 4.483 9.099 1.00 0.00 C ATOM 342 CG GLU A 23 -6.759 4.462 7.682 1.00 0.00 C ATOM 343 CD GLU A 23 -8.056 3.685 7.569 1.00 0.00 C ATOM 344 OE1 GLU A 23 -7.995 2.453 7.376 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.133 4.309 7.674 1.00 0.00 O ATOM 0 H GLU A 23 -3.934 3.955 9.897 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.893 6.019 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.778 3.509 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.035 4.636 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.923 5.485 7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.017 4.022 7.016 1.00 0.00 H new ATOM 352 N LYS A 24 -5.515 6.489 11.545 1.00 0.00 N ATOM 353 CA LYS A 24 -5.995 7.460 12.520 1.00 0.00 C ATOM 354 C LYS A 24 -5.174 8.743 12.451 1.00 0.00 C ATOM 355 O LYS A 24 -5.718 9.844 12.514 1.00 0.00 O ATOM 356 CB LYS A 24 -5.931 6.872 13.932 1.00 0.00 C ATOM 357 CG LYS A 24 -7.212 6.178 14.359 1.00 0.00 C ATOM 358 CD LYS A 24 -7.308 6.069 15.874 1.00 0.00 C ATOM 359 CE LYS A 24 -8.717 5.712 16.318 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.102 6.422 17.568 1.00 0.00 N ATOM 0 H LYS A 24 -5.027 5.690 11.950 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.032 7.698 12.283 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.107 6.160 13.983 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.707 7.670 14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.071 6.730 13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.252 5.182 13.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.610 5.311 16.230 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.011 7.015 16.328 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.422 5.964 15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.786 4.636 16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.069 6.151 17.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.445 6.162 18.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.061 7.449 17.410 1.00 0.00 H new ATOM 374 N ARG A 25 -3.860 8.589 12.315 1.00 0.00 N ATOM 375 CA ARG A 25 -2.963 9.736 12.231 1.00 0.00 C ATOM 376 C ARG A 25 -3.142 10.463 10.902 1.00 0.00 C ATOM 377 O ARG A 25 -3.077 11.691 10.841 1.00 0.00 O ATOM 378 CB ARG A 25 -1.509 9.285 12.390 1.00 0.00 C ATOM 379 CG ARG A 25 -1.182 8.767 13.781 1.00 0.00 C ATOM 380 CD ARG A 25 -0.563 9.852 14.646 1.00 0.00 C ATOM 381 NE ARG A 25 0.817 10.141 14.261 1.00 0.00 N ATOM 382 CZ ARG A 25 1.690 10.768 15.046 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.332 11.172 16.258 1.00 0.00 N ATOM 384 NH2 ARG A 25 2.925 10.991 14.617 1.00 0.00 N ATOM 0 H ARG A 25 -3.394 7.683 12.261 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.211 10.424 13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.298 8.503 11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.850 10.122 12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.090 8.396 14.255 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.495 7.924 13.705 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.159 10.761 14.568 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.590 9.542 15.691 1.00 0.00 H new ATOM 0 HE ARG A 25 1.129 9.845 13.336 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.383 11.003 16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.005 11.652 16.855 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.205 10.682 13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.595 11.471 15.218 1.00 0.00 H new ATOM 398 N ILE A 26 -3.370 9.694 9.843 1.00 0.00 N ATOM 399 CA ILE A 26 -3.564 10.262 8.514 1.00 0.00 C ATOM 400 C ILE A 26 -4.896 10.999 8.428 1.00 0.00 C ATOM 401 O ILE A 26 -5.034 11.967 7.680 1.00 0.00 O ATOM 402 CB ILE A 26 -3.514 9.171 7.423 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.227 8.352 7.549 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.616 9.794 6.038 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.969 9.190 7.501 1.00 0.00 C ATOM 0 H ILE A 26 -3.425 8.676 9.879 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.750 10.967 8.344 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.365 8.504 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.249 7.798 8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.194 7.616 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.579 9.009 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.557 10.337 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.785 10.483 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.097 8.543 7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.923 9.724 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.979 9.908 8.321 1.00 0.00 H new ATOM 417 N LYS A 27 -5.876 10.536 9.198 1.00 0.00 N ATOM 418 CA LYS A 27 -7.197 11.152 9.208 1.00 0.00 C ATOM 419 C LYS A 27 -7.263 12.275 10.238 1.00 0.00 C ATOM 420 O LYS A 27 -7.961 13.270 10.042 1.00 0.00 O ATOM 421 CB LYS A 27 -8.270 10.105 9.507 1.00 0.00 C ATOM 422 CG LYS A 27 -9.650 10.491 8.997 1.00 0.00 C ATOM 423 CD LYS A 27 -10.740 10.078 9.973 1.00 0.00 C ATOM 424 CE LYS A 27 -12.051 9.790 9.257 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.224 10.286 10.027 1.00 0.00 N ATOM 0 H LYS A 27 -5.779 9.736 9.823 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.381 11.576 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.977 9.156 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.321 9.945 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.692 11.568 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.827 10.019 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.422 9.191 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.891 10.870 10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.038 10.259 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.149 8.716 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.098 10.071 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.251 9.820 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.144 11.315 10.158 1.00 0.00 H new ATOM 439 N ALA A 28 -6.535 12.107 11.338 1.00 0.00 N ATOM 440 CA ALA A 28 -6.511 13.107 12.398 1.00 0.00 C ATOM 441 C ALA A 28 -5.757 14.356 11.956 1.00 0.00 C ATOM 442 O ALA A 28 -6.158 15.478 12.264 1.00 0.00 O ATOM 443 CB ALA A 28 -5.886 12.527 13.657 1.00 0.00 C ATOM 0 H ALA A 28 -5.954 11.288 11.518 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.539 13.394 12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.875 13.285 14.440 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.470 11.669 13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.865 12.211 13.444 1.00 0.00 H new ATOM 449 N PHE A 29 -4.662 14.153 11.232 1.00 0.00 N ATOM 450 CA PHE A 29 -3.850 15.263 10.746 1.00 0.00 C ATOM 451 C PHE A 29 -4.459 15.869 9.486 1.00 0.00 C ATOM 452 O PHE A 29 -4.396 17.080 9.276 1.00 0.00 O ATOM 453 CB PHE A 29 -2.421 14.792 10.462 1.00 0.00 C ATOM 454 CG PHE A 29 -1.558 14.720 11.689 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.329 15.850 12.459 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.974 13.524 12.072 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.534 15.787 13.587 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.179 13.454 13.200 1.00 0.00 C ATOM 459 CZ PHE A 29 0.041 14.586 13.959 1.00 0.00 C ATOM 0 H PHE A 29 -4.316 13.230 10.969 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.824 16.029 11.521 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.458 13.808 9.995 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.960 15.469 9.743 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.777 16.790 12.174 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.142 12.635 11.482 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.362 16.675 14.177 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.270 12.515 13.488 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.661 14.533 14.842 1.00 0.00 H new ATOM 469 N GLY A 30 -5.050 15.019 8.653 1.00 0.00 N ATOM 470 CA GLY A 30 -5.664 15.490 7.426 1.00 0.00 C ATOM 471 C GLY A 30 -4.694 15.521 6.261 1.00 0.00 C ATOM 472 O GLY A 30 -4.083 16.552 5.980 1.00 0.00 O ATOM 0 H GLY A 30 -5.115 14.013 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.506 14.845 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.065 16.491 7.586 1.00 0.00 H new ATOM 476 N LEU A 31 -4.554 14.388 5.578 1.00 0.00 N ATOM 477 CA LEU A 31 -3.655 14.291 4.434 1.00 0.00 C ATOM 478 C LEU A 31 -4.127 13.212 3.463 1.00 0.00 C ATOM 479 O LEU A 31 -3.347 12.363 3.027 1.00 0.00 O ATOM 480 CB LEU A 31 -2.226 13.994 4.899 1.00 0.00 C ATOM 481 CG LEU A 31 -2.096 12.848 5.903 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.802 12.079 5.669 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.155 13.378 7.328 1.00 0.00 C ATOM 0 H LEU A 31 -5.052 13.525 5.797 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.663 15.249 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.617 13.762 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.811 14.897 5.346 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.932 12.164 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.725 11.267 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.801 11.667 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.047 12.752 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.061 12.549 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.339 14.083 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.107 13.883 7.489 1.00 0.00 H new ATOM 495 N GLN A 32 -5.414 13.255 3.126 1.00 0.00 N ATOM 496 CA GLN A 32 -5.996 12.287 2.204 1.00 0.00 C ATOM 497 C GLN A 32 -5.533 12.537 0.769 1.00 0.00 C ATOM 498 O GLN A 32 -5.806 11.737 -0.125 1.00 0.00 O ATOM 499 CB GLN A 32 -7.523 12.341 2.276 1.00 0.00 C ATOM 500 CG GLN A 32 -8.120 11.366 3.279 1.00 0.00 C ATOM 501 CD GLN A 32 -8.877 12.064 4.393 1.00 0.00 C ATOM 502 OE1 GLN A 32 -8.627 13.232 4.693 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.807 11.349 5.014 1.00 0.00 N ATOM 0 H GLN A 32 -6.072 13.950 3.478 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.656 11.295 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.830 13.353 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.933 12.130 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.793 10.683 2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.323 10.761 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.981 10.384 4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.348 11.764 5.773 1.00 0.00 H new ATOM 512 N ASP A 33 -4.833 13.648 0.553 1.00 0.00 N ATOM 513 CA ASP A 33 -4.337 13.989 -0.775 1.00 0.00 C ATOM 514 C ASP A 33 -3.068 13.205 -1.102 1.00 0.00 C ATOM 515 O ASP A 33 -2.707 13.056 -2.270 1.00 0.00 O ATOM 516 CB ASP A 33 -4.060 15.491 -0.869 1.00 0.00 C ATOM 517 CG ASP A 33 -3.179 15.987 0.262 1.00 0.00 C ATOM 518 OD1 ASP A 33 -3.726 16.356 1.322 1.00 0.00 O ATOM 519 OD2 ASP A 33 -1.943 16.008 0.085 1.00 0.00 O ATOM 0 H ASP A 33 -4.598 14.325 1.279 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.105 13.721 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.580 15.711 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.005 16.034 -0.855 1.00 0.00 H new ATOM 524 N LYS A 34 -2.400 12.702 -0.068 1.00 0.00 N ATOM 525 CA LYS A 34 -1.178 11.928 -0.253 1.00 0.00 C ATOM 526 C LYS A 34 -1.484 10.434 -0.256 1.00 0.00 C ATOM 527 O LYS A 34 -1.149 9.724 -1.205 1.00 0.00 O ATOM 528 CB LYS A 34 -0.169 12.253 0.849 1.00 0.00 C ATOM 529 CG LYS A 34 0.665 13.492 0.567 1.00 0.00 C ATOM 530 CD LYS A 34 1.817 13.184 -0.377 1.00 0.00 C ATOM 531 CE LYS A 34 2.537 14.452 -0.806 1.00 0.00 C ATOM 532 NZ LYS A 34 3.424 14.215 -1.979 1.00 0.00 N ATOM 0 H LYS A 34 -2.684 12.817 0.905 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.746 12.197 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.703 12.391 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.497 11.400 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.033 14.266 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.057 13.889 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.521 12.512 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.439 12.663 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.804 15.220 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.129 14.833 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.417 14.329 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.276 13.250 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.199 14.900 -2.728 1.00 0.00 H new ATOM 546 N ILE A 35 -2.127 9.965 0.808 1.00 0.00 N ATOM 547 CA ILE A 35 -2.485 8.556 0.922 1.00 0.00 C ATOM 548 C ILE A 35 -3.878 8.306 0.358 1.00 0.00 C ATOM 549 O ILE A 35 -4.824 9.023 0.685 1.00 0.00 O ATOM 550 CB ILE A 35 -2.441 8.079 2.387 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.107 8.461 3.030 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.660 6.575 2.462 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.979 8.014 4.470 1.00 0.00 C ATOM 0 H ILE A 35 -2.410 10.539 1.602 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.751 7.991 0.347 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.243 8.571 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.295 8.024 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.987 9.543 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.626 6.254 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.633 6.327 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.878 6.065 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.008 8.319 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.770 8.472 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.067 6.929 4.523 1.00 0.00 H new ATOM 565 N PHE A 36 -4.001 7.298 -0.498 1.00 0.00 N ATOM 566 CA PHE A 36 -5.285 6.977 -1.110 1.00 0.00 C ATOM 567 C PHE A 36 -5.715 5.547 -0.802 1.00 0.00 C ATOM 568 O PHE A 36 -6.818 5.322 -0.301 1.00 0.00 O ATOM 569 CB PHE A 36 -5.219 7.182 -2.624 1.00 0.00 C ATOM 570 CG PHE A 36 -4.537 8.459 -3.023 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.084 9.686 -2.685 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.350 8.431 -3.733 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.457 10.862 -3.049 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.718 9.601 -4.099 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.272 10.820 -3.757 1.00 0.00 C ATOM 0 H PHE A 36 -3.232 6.692 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.027 7.652 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.692 6.341 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.231 7.177 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.010 9.724 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.913 7.481 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.893 11.813 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.791 9.565 -4.652 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.779 11.738 -4.043 1.00 0.00 H new ATOM 585 N GLN A 37 -4.857 4.580 -1.113 1.00 0.00 N ATOM 586 CA GLN A 37 -5.189 3.178 -0.872 1.00 0.00 C ATOM 587 C GLN A 37 -4.246 2.523 0.133 1.00 0.00 C ATOM 588 O GLN A 37 -3.124 2.978 0.349 1.00 0.00 O ATOM 589 CB GLN A 37 -5.165 2.394 -2.183 1.00 0.00 C ATOM 590 CG GLN A 37 -5.872 3.099 -3.330 1.00 0.00 C ATOM 591 CD GLN A 37 -7.045 2.305 -3.870 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.115 2.266 -3.263 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.848 1.665 -5.018 1.00 0.00 N ATOM 0 H GLN A 37 -3.938 4.737 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.193 3.158 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.129 2.208 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.631 1.422 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.223 4.073 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.159 3.280 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.944 1.725 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.601 1.114 -5.430 1.00 0.00 H new ATOM 602 N VAL A 38 -4.726 1.437 0.733 1.00 0.00 N ATOM 603 CA VAL A 38 -3.961 0.675 1.714 1.00 0.00 C ATOM 604 C VAL A 38 -4.495 -0.752 1.792 1.00 0.00 C ATOM 605 O VAL A 38 -5.334 -1.066 2.637 1.00 0.00 O ATOM 606 CB VAL A 38 -4.028 1.316 3.114 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.119 0.578 4.087 1.00 0.00 C ATOM 608 CG2 VAL A 38 -3.659 2.790 3.045 1.00 0.00 C ATOM 0 H VAL A 38 -5.657 1.061 0.552 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.921 0.672 1.389 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.052 1.237 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.181 1.046 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.434 -0.463 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.091 0.622 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.712 3.225 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.646 2.894 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.355 3.309 2.385 1.00 0.00 H new ATOM 618 N LEU A 39 -4.027 -1.604 0.885 1.00 0.00 N ATOM 619 CA LEU A 39 -4.480 -2.991 0.831 1.00 0.00 C ATOM 620 C LEU A 39 -3.541 -3.933 1.575 1.00 0.00 C ATOM 621 O LEU A 39 -2.397 -3.589 1.877 1.00 0.00 O ATOM 622 CB LEU A 39 -4.610 -3.439 -0.627 1.00 0.00 C ATOM 623 CG LEU A 39 -5.966 -3.153 -1.273 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.073 -3.910 -0.554 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.251 -1.658 -1.271 1.00 0.00 C ATOM 0 H LEU A 39 -3.334 -1.359 0.177 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.451 -3.036 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.834 -2.946 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.418 -4.511 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.934 -3.497 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.030 -3.693 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.876 -4.981 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.107 -3.599 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.220 -1.472 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.263 -1.291 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.474 -1.139 -1.833 1.00 0.00 H new ATOM 637 N ILE A 40 -4.043 -5.132 1.854 1.00 0.00 N ATOM 638 CA ILE A 40 -3.277 -6.159 2.549 1.00 0.00 C ATOM 639 C ILE A 40 -3.624 -7.539 1.993 1.00 0.00 C ATOM 640 O ILE A 40 -4.278 -8.345 2.657 1.00 0.00 O ATOM 641 CB ILE A 40 -3.544 -6.137 4.067 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.038 -6.329 4.349 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.047 -4.833 4.674 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.354 -7.620 5.073 1.00 0.00 C ATOM 0 H ILE A 40 -4.990 -5.418 1.605 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.220 -5.948 2.385 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.999 -6.960 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.398 -5.490 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.584 -6.308 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.243 -4.833 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.975 -4.736 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.567 -3.994 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.429 -7.690 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.025 -8.466 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.836 -7.635 6.032 1.00 0.00 H new ATOM 656 N PRO A 41 -3.203 -7.818 0.746 1.00 0.00 N ATOM 657 CA PRO A 41 -3.477 -9.088 0.071 1.00 0.00 C ATOM 658 C PRO A 41 -3.338 -10.308 0.977 1.00 0.00 C ATOM 659 O PRO A 41 -2.245 -10.630 1.452 1.00 0.00 O ATOM 660 CB PRO A 41 -2.426 -9.118 -1.031 1.00 0.00 C ATOM 661 CG PRO A 41 -2.233 -7.686 -1.389 1.00 0.00 C ATOM 662 CD PRO A 41 -2.432 -6.900 -0.117 1.00 0.00 C ATOM 0 HA PRO A 41 -4.507 -9.139 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.497 -9.571 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.764 -9.701 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.236 -7.518 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.947 -7.377 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.480 -6.628 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.975 -5.973 -0.300 1.00 0.00 H new ATOM 670 N THR A 42 -4.460 -10.989 1.191 1.00 0.00 N ATOM 671 CA THR A 42 -4.494 -12.189 2.015 1.00 0.00 C ATOM 672 C THR A 42 -5.092 -13.348 1.226 1.00 0.00 C ATOM 673 O THR A 42 -5.744 -13.138 0.203 1.00 0.00 O ATOM 674 CB THR A 42 -5.308 -11.946 3.286 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.534 -11.308 2.982 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.587 -11.091 4.306 1.00 0.00 C ATOM 0 H THR A 42 -5.365 -10.725 0.800 1.00 0.00 H new ATOM 0 HA THR A 42 -3.473 -12.441 2.301 1.00 0.00 H new ATOM 0 HB THR A 42 -5.472 -12.934 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.041 -11.163 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.221 -10.958 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.659 -11.581 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.361 -10.118 3.871 1.00 0.00 H new ATOM 948 N LYS A 59 -5.723 -16.525 5.031 1.00 0.00 N ATOM 949 CA LYS A 59 -4.310 -16.566 5.392 1.00 0.00 C ATOM 950 C LYS A 59 -3.629 -15.246 5.032 1.00 0.00 C ATOM 951 O LYS A 59 -4.280 -14.205 4.969 1.00 0.00 O ATOM 952 CB LYS A 59 -3.618 -17.738 4.685 1.00 0.00 C ATOM 953 CG LYS A 59 -4.477 -18.989 4.584 1.00 0.00 C ATOM 954 CD LYS A 59 -3.628 -20.251 4.581 1.00 0.00 C ATOM 955 CE LYS A 59 -3.745 -21.005 5.896 1.00 0.00 C ATOM 956 NZ LYS A 59 -2.770 -22.128 5.982 1.00 0.00 N ATOM 0 HA LYS A 59 -4.228 -16.712 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.329 -17.425 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.700 -17.981 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.175 -19.021 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.074 -18.949 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.939 -20.898 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.585 -19.989 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.580 -20.317 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.757 -21.395 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.882 -22.616 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.943 -22.799 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.802 -21.754 5.907 1.00 0.00 H new ATOM 970 N LYS A 60 -2.321 -15.291 4.796 1.00 0.00 N ATOM 971 CA LYS A 60 -1.567 -14.094 4.443 1.00 0.00 C ATOM 972 C LYS A 60 -0.717 -14.334 3.199 1.00 0.00 C ATOM 973 O LYS A 60 0.153 -15.204 3.188 1.00 0.00 O ATOM 974 CB LYS A 60 -0.679 -13.661 5.611 1.00 0.00 C ATOM 975 CG LYS A 60 -1.165 -12.400 6.308 1.00 0.00 C ATOM 976 CD LYS A 60 -1.982 -12.727 7.548 1.00 0.00 C ATOM 977 CE LYS A 60 -3.100 -11.721 7.761 1.00 0.00 C ATOM 978 NZ LYS A 60 -3.282 -11.388 9.202 1.00 0.00 N ATOM 0 H LYS A 60 -1.762 -16.143 4.843 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.278 -13.297 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.628 -14.472 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.334 -13.497 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.310 -11.785 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.769 -11.812 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.405 -13.727 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.330 -12.738 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.880 -10.811 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.031 -12.123 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.054 -10.699 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.517 -12.252 9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.402 -10.980 9.578 1.00 0.00 H new ATOM 992 N LEU A 61 -0.973 -13.553 2.153 1.00 0.00 N ATOM 993 CA LEU A 61 -0.230 -13.678 0.906 1.00 0.00 C ATOM 994 C LEU A 61 1.080 -12.906 0.990 1.00 0.00 C ATOM 995 O LEU A 61 2.126 -13.389 0.556 1.00 0.00 O ATOM 996 CB LEU A 61 -1.068 -13.167 -0.267 1.00 0.00 C ATOM 997 CG LEU A 61 -2.051 -14.182 -0.852 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.767 -13.596 -2.058 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.328 -15.467 -1.231 1.00 0.00 C ATOM 0 H LEU A 61 -1.690 -12.827 2.146 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.005 -14.732 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.627 -12.290 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.395 -12.839 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.796 -14.418 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.462 -14.332 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.317 -12.704 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.036 -13.331 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.043 -16.178 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.562 -15.248 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.861 -15.897 -0.345 1.00 0.00 H new ATOM 1011 N PHE A 62 1.015 -11.705 1.556 1.00 0.00 N ATOM 1012 CA PHE A 62 2.199 -10.866 1.705 1.00 0.00 C ATOM 1013 C PHE A 62 2.423 -10.496 3.170 1.00 0.00 C ATOM 1014 O PHE A 62 2.173 -9.362 3.577 1.00 0.00 O ATOM 1015 CB PHE A 62 2.062 -9.600 0.855 1.00 0.00 C ATOM 1016 CG PHE A 62 1.880 -9.879 -0.608 1.00 0.00 C ATOM 1017 CD1 PHE A 62 2.722 -10.761 -1.268 1.00 0.00 C ATOM 1018 CD2 PHE A 62 0.865 -9.264 -1.324 1.00 0.00 C ATOM 1019 CE1 PHE A 62 2.555 -11.022 -2.615 1.00 0.00 C ATOM 1020 CE2 PHE A 62 0.695 -9.522 -2.671 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.540 -10.401 -3.318 1.00 0.00 C ATOM 0 H PHE A 62 0.156 -11.291 1.919 1.00 0.00 H new ATOM 0 HA PHE A 62 3.064 -11.432 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.212 -9.020 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.950 -8.982 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.517 -11.249 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.200 -8.576 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.217 -11.711 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.099 -9.036 -3.218 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.408 -10.603 -4.371 1.00 0.00 H new ATOM 1031 N PRO A 63 2.900 -11.455 3.985 1.00 0.00 N ATOM 1032 CA PRO A 63 3.155 -11.225 5.413 1.00 0.00 C ATOM 1033 C PRO A 63 4.123 -10.070 5.648 1.00 0.00 C ATOM 1034 O PRO A 63 5.075 -9.882 4.893 1.00 0.00 O ATOM 1035 CB PRO A 63 3.774 -12.544 5.888 1.00 0.00 C ATOM 1036 CG PRO A 63 3.329 -13.559 4.894 1.00 0.00 C ATOM 1037 CD PRO A 63 3.224 -12.835 3.583 1.00 0.00 C ATOM 0 HA PRO A 63 2.245 -10.952 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.861 -12.479 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.435 -12.800 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.042 -14.381 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.370 -13.990 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.157 -12.882 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.448 -13.262 2.948 1.00 0.00 H new ATOM 1045 N GLY A 64 3.871 -9.299 6.703 1.00 0.00 N ATOM 1046 CA GLY A 64 4.728 -8.172 7.022 1.00 0.00 C ATOM 1047 C GLY A 64 4.933 -7.242 5.841 1.00 0.00 C ATOM 1048 O GLY A 64 5.939 -6.536 5.767 1.00 0.00 O ATOM 0 H GLY A 64 3.088 -9.436 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.292 -7.612 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.696 -8.541 7.361 1.00 0.00 H new ATOM 1052 N TYR A 65 3.978 -7.242 4.917 1.00 0.00 N ATOM 1053 CA TYR A 65 4.059 -6.392 3.734 1.00 0.00 C ATOM 1054 C TYR A 65 2.719 -5.720 3.455 1.00 0.00 C ATOM 1055 O TYR A 65 1.742 -6.383 3.104 1.00 0.00 O ATOM 1056 CB TYR A 65 4.490 -7.216 2.517 1.00 0.00 C ATOM 1057 CG TYR A 65 5.979 -7.468 2.454 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.871 -6.428 2.226 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.493 -8.747 2.622 1.00 0.00 C ATOM 1060 CE1 TYR A 65 8.233 -6.656 2.166 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.853 -8.984 2.562 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.719 -7.935 2.335 1.00 0.00 C ATOM 1063 OH TYR A 65 10.073 -8.165 2.276 1.00 0.00 O ATOM 0 H TYR A 65 3.139 -7.821 4.964 1.00 0.00 H new ATOM 0 HA TYR A 65 4.802 -5.618 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.968 -8.173 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.179 -6.699 1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.494 -5.425 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.818 -9.571 2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.913 -5.836 1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.236 -9.985 2.692 1.00 0.00 H new ATOM 0 HH TYR A 65 10.249 -9.119 2.416 1.00 0.00 H new ATOM 1073 N LEU A 66 2.678 -4.402 3.614 1.00 0.00 N ATOM 1074 CA LEU A 66 1.458 -3.641 3.380 1.00 0.00 C ATOM 1075 C LEU A 66 1.618 -2.712 2.180 1.00 0.00 C ATOM 1076 O LEU A 66 2.591 -1.965 2.089 1.00 0.00 O ATOM 1077 CB LEU A 66 1.090 -2.829 4.623 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.367 -2.952 5.072 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -0.511 -2.557 6.533 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.267 -2.093 4.194 1.00 0.00 C ATOM 0 H LEU A 66 3.477 -3.838 3.904 1.00 0.00 H new ATOM 0 HA LEU A 66 0.655 -4.347 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.735 -3.140 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.306 -1.779 4.429 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.674 -3.993 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.554 -2.651 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.105 -3.212 7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.187 -1.525 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.300 -2.191 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.960 -1.050 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.186 -2.422 3.158 1.00 0.00 H new ATOM 1092 N PHE A 67 0.657 -2.763 1.267 1.00 0.00 N ATOM 1093 CA PHE A 67 0.691 -1.923 0.075 1.00 0.00 C ATOM 1094 C PHE A 67 -0.064 -0.622 0.311 1.00 0.00 C ATOM 1095 O PHE A 67 -1.196 -0.628 0.795 1.00 0.00 O ATOM 1096 CB PHE A 67 0.087 -2.662 -1.121 1.00 0.00 C ATOM 1097 CG PHE A 67 0.740 -3.984 -1.419 1.00 0.00 C ATOM 1098 CD1 PHE A 67 2.022 -4.266 -0.967 1.00 0.00 C ATOM 1099 CD2 PHE A 67 0.069 -4.946 -2.153 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.617 -5.483 -1.245 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.659 -6.160 -2.434 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.933 -6.431 -1.981 1.00 0.00 C ATOM 0 H PHE A 67 -0.156 -3.376 1.328 1.00 0.00 H new ATOM 0 HA PHE A 67 1.733 -1.690 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.974 -2.827 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.161 -2.025 -2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.560 -3.527 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.930 -4.743 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.614 -5.692 -0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.123 -6.900 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.395 -7.382 -2.201 1.00 0.00 H new ATOM 1112 N ILE A 68 0.571 0.493 -0.032 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.042 1.802 0.145 1.00 0.00 C ATOM 1114 C ILE A 68 0.055 2.632 -1.127 1.00 0.00 C ATOM 1115 O ILE A 68 1.140 3.058 -1.521 1.00 0.00 O ATOM 1116 CB ILE A 68 0.621 2.587 1.297 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.947 1.659 2.471 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.281 3.726 1.749 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.427 1.380 2.623 1.00 0.00 C ATOM 0 H ILE A 68 1.508 0.516 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.090 1.624 0.387 1.00 0.00 H new ATOM 0 HB ILE A 68 1.556 3.010 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.572 2.105 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.419 0.715 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.200 4.270 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.458 4.403 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.232 3.321 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.587 0.717 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.803 0.905 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.959 2.317 2.789 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.088 2.873 -1.764 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.119 3.668 -2.984 1.00 0.00 C ATOM 1133 C GLN A 69 -1.057 5.149 -2.636 1.00 0.00 C ATOM 1134 O GLN A 69 -2.045 5.874 -2.766 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.380 3.366 -3.795 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.250 3.710 -5.271 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.587 3.746 -5.984 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.365 4.791 -5.727 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.916 2.846 -6.757 1.00 0.00 N flip ATOM 0 H GLN A 69 -1.998 2.531 -1.457 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.253 3.407 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.621 2.307 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.216 3.923 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.763 4.680 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.605 2.977 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.286 2.062 -6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.819 2.885 -7.230 1.00 0.00 H new ATOM 1148 N MET A 70 0.114 5.580 -2.174 1.00 0.00 N ATOM 1149 CA MET A 70 0.329 6.972 -1.788 1.00 0.00 C ATOM 1150 C MET A 70 0.858 7.796 -2.958 1.00 0.00 C ATOM 1151 O MET A 70 0.994 7.295 -4.074 1.00 0.00 O ATOM 1152 CB MET A 70 1.303 7.051 -0.610 1.00 0.00 C ATOM 1153 CG MET A 70 2.683 6.497 -0.919 1.00 0.00 C ATOM 1154 SD MET A 70 3.759 6.462 0.529 1.00 0.00 S ATOM 1155 CE MET A 70 3.430 8.076 1.234 1.00 0.00 C ATOM 0 H MET A 70 0.932 4.982 -2.057 1.00 0.00 H new ATOM 0 HA MET A 70 -0.633 7.388 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.400 8.091 -0.300 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.883 6.505 0.234 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.584 5.487 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.147 7.103 -1.697 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.209 8.323 1.956 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.419 8.824 0.441 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.462 8.064 1.735 1.00 0.00 H new ATOM 1165 N ASP A 71 1.168 9.060 -2.685 1.00 0.00 N ATOM 1166 CA ASP A 71 1.697 9.961 -3.703 1.00 0.00 C ATOM 1167 C ASP A 71 3.031 10.551 -3.257 1.00 0.00 C ATOM 1168 O ASP A 71 3.078 11.629 -2.666 1.00 0.00 O ATOM 1169 CB ASP A 71 0.702 11.088 -3.988 1.00 0.00 C ATOM 1170 CG ASP A 71 1.173 12.012 -5.094 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.106 12.805 -4.848 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.608 11.942 -6.205 1.00 0.00 O ATOM 0 H ASP A 71 1.061 9.484 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 71 1.854 9.387 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.261 10.657 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.543 11.667 -3.078 1.00 0.00 H new ATOM 1177 N LEU A 72 4.116 9.833 -3.538 1.00 0.00 N ATOM 1178 CA LEU A 72 5.450 10.287 -3.158 1.00 0.00 C ATOM 1179 C LEU A 72 5.973 11.329 -4.141 1.00 0.00 C ATOM 1180 O LEU A 72 6.708 12.241 -3.761 1.00 0.00 O ATOM 1181 CB LEU A 72 6.413 9.102 -3.089 1.00 0.00 C ATOM 1182 CG LEU A 72 6.434 8.362 -1.751 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.470 7.247 -1.770 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.714 9.334 -0.612 1.00 0.00 C ATOM 0 H LEU A 72 4.097 8.937 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 72 5.382 10.749 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.150 8.394 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.420 9.459 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 72 5.454 7.913 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.469 6.733 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.227 6.538 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.457 7.671 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.726 8.792 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.682 9.810 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.935 10.096 -0.584 1.00 0.00 H new ATOM 1245 N GLU A 77 12.526 14.703 -1.896 1.00 0.00 N ATOM 1246 CA GLU A 77 12.076 14.433 -0.536 1.00 0.00 C ATOM 1247 C GLU A 77 10.551 14.480 -0.450 1.00 0.00 C ATOM 1248 O GLU A 77 9.912 15.327 -1.072 1.00 0.00 O ATOM 1249 CB GLU A 77 12.687 15.448 0.434 1.00 0.00 C ATOM 1250 CG GLU A 77 13.767 14.861 1.328 1.00 0.00 C ATOM 1251 CD GLU A 77 13.235 14.428 2.680 1.00 0.00 C ATOM 1252 OE1 GLU A 77 12.207 14.986 3.118 1.00 0.00 O ATOM 1253 OE2 GLU A 77 13.844 13.530 3.299 1.00 0.00 O ATOM 0 HA GLU A 77 12.407 13.432 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.109 16.275 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.896 15.863 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.220 14.004 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.555 15.600 1.472 1.00 0.00 H new ATOM 1260 N PRO A 78 9.945 13.564 0.329 1.00 0.00 N ATOM 1261 CA PRO A 78 8.490 13.507 0.489 1.00 0.00 C ATOM 1262 C PRO A 78 7.963 14.598 1.416 1.00 0.00 C ATOM 1263 O PRO A 78 8.738 15.328 2.033 1.00 0.00 O ATOM 1264 CB PRO A 78 8.263 12.128 1.105 1.00 0.00 C ATOM 1265 CG PRO A 78 9.511 11.852 1.872 1.00 0.00 C ATOM 1266 CD PRO A 78 10.628 12.511 1.108 1.00 0.00 C ATOM 0 HA PRO A 78 7.968 13.663 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.388 12.123 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.094 11.373 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.443 12.252 2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.682 10.779 1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.378 12.931 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.142 11.802 0.459 1.00 0.00 H new ATOM 1274 N ASN A 79 6.642 14.700 1.509 1.00 0.00 N ATOM 1275 CA ASN A 79 6.011 15.700 2.361 1.00 0.00 C ATOM 1276 C ASN A 79 5.781 15.150 3.767 1.00 0.00 C ATOM 1277 O ASN A 79 6.338 14.117 4.138 1.00 0.00 O ATOM 1278 CB ASN A 79 4.683 16.154 1.751 1.00 0.00 C ATOM 1279 CG ASN A 79 4.461 17.646 1.895 1.00 0.00 C ATOM 1280 OD1 ASN A 79 5.213 18.454 1.350 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.422 18.021 2.635 1.00 0.00 N ATOM 0 H ASN A 79 5.987 14.102 1.005 1.00 0.00 H new ATOM 0 HA ASN A 79 6.680 16.557 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.661 15.887 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.864 15.619 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.223 19.012 2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.824 17.317 3.069 1.00 0.00 H new ATOM 1288 N GLU A 80 4.957 15.847 4.544 1.00 0.00 N ATOM 1289 CA GLU A 80 4.654 15.428 5.908 1.00 0.00 C ATOM 1290 C GLU A 80 4.066 14.020 5.936 1.00 0.00 C ATOM 1291 O GLU A 80 4.149 13.323 6.947 1.00 0.00 O ATOM 1292 CB GLU A 80 3.680 16.412 6.559 1.00 0.00 C ATOM 1293 CG GLU A 80 2.318 16.454 5.884 1.00 0.00 C ATOM 1294 CD GLU A 80 1.369 15.402 6.419 1.00 0.00 C ATOM 1295 OE1 GLU A 80 0.828 15.597 7.529 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.165 14.380 5.732 1.00 0.00 O ATOM 0 H GLU A 80 4.487 16.704 4.252 1.00 0.00 H new ATOM 0 HA GLU A 80 5.587 15.419 6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.549 16.142 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.117 17.410 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.877 17.441 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.444 16.312 4.811 1.00 0.00 H new ATOM 1303 N ALA A 81 3.471 13.604 4.819 1.00 0.00 N ATOM 1304 CA ALA A 81 2.869 12.278 4.718 1.00 0.00 C ATOM 1305 C ALA A 81 3.848 11.190 5.142 1.00 0.00 C ATOM 1306 O ALA A 81 3.490 10.273 5.882 1.00 0.00 O ATOM 1307 CB ALA A 81 2.383 12.029 3.298 1.00 0.00 C ATOM 0 H ALA A 81 3.394 14.167 3.972 1.00 0.00 H new ATOM 0 HA ALA A 81 2.017 12.242 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.936 11.037 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.639 12.780 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.225 12.092 2.609 1.00 0.00 H new ATOM 1313 N TRP A 82 5.086 11.297 4.672 1.00 0.00 N ATOM 1314 CA TRP A 82 6.117 10.321 5.005 1.00 0.00 C ATOM 1315 C TRP A 82 6.586 10.496 6.446 1.00 0.00 C ATOM 1316 O TRP A 82 6.986 9.533 7.100 1.00 0.00 O ATOM 1317 CB TRP A 82 7.306 10.455 4.051 1.00 0.00 C ATOM 1318 CG TRP A 82 8.209 9.260 4.060 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.563 9.258 4.234 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.823 7.892 3.888 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.044 7.971 4.179 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.993 7.116 3.968 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.601 7.249 3.672 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.978 5.728 3.841 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.586 5.872 3.548 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.767 5.125 3.633 1.00 0.00 C ATOM 0 H TRP A 82 5.400 12.050 4.059 1.00 0.00 H new ATOM 0 HA TRP A 82 5.686 9.325 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.935 10.614 3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.882 11.340 4.322 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.168 10.139 4.392 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.022 7.697 4.279 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.685 7.817 3.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.888 5.150 3.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.647 5.364 3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.722 4.051 3.532 1.00 0.00 H new ATOM 1337 N GLU A 83 6.530 11.731 6.936 1.00 0.00 N ATOM 1338 CA GLU A 83 6.948 12.032 8.301 1.00 0.00 C ATOM 1339 C GLU A 83 6.020 11.366 9.312 1.00 0.00 C ATOM 1340 O GLU A 83 6.464 10.889 10.358 1.00 0.00 O ATOM 1341 CB GLU A 83 6.974 13.545 8.527 1.00 0.00 C ATOM 1342 CG GLU A 83 8.334 14.077 8.947 1.00 0.00 C ATOM 1343 CD GLU A 83 8.853 15.158 8.019 1.00 0.00 C ATOM 1344 OE1 GLU A 83 9.140 14.846 6.846 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.970 16.318 8.468 1.00 0.00 O ATOM 0 H GLU A 83 6.199 12.539 6.408 1.00 0.00 H new ATOM 0 HA GLU A 83 7.953 11.636 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.666 14.046 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.241 13.802 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.267 14.475 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.048 13.254 8.975 1.00 0.00 H new ATOM 1352 N VAL A 84 4.730 11.337 8.994 1.00 0.00 N ATOM 1353 CA VAL A 84 3.740 10.729 9.875 1.00 0.00 C ATOM 1354 C VAL A 84 3.895 9.213 9.911 1.00 0.00 C ATOM 1355 O VAL A 84 3.770 8.590 10.965 1.00 0.00 O ATOM 1356 CB VAL A 84 2.306 11.078 9.431 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.290 10.557 10.438 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.154 12.579 9.240 1.00 0.00 C ATOM 0 H VAL A 84 4.346 11.727 8.133 1.00 0.00 H new ATOM 0 HA VAL A 84 3.912 11.132 10.873 1.00 0.00 H new ATOM 0 HB VAL A 84 2.117 10.592 8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.284 10.814 10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.380 9.474 10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.477 11.010 11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.135 12.805 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.366 13.089 10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.852 12.921 8.476 1.00 0.00 H new ATOM 1368 N VAL A 85 4.166 8.625 8.750 1.00 0.00 N ATOM 1369 CA VAL A 85 4.339 7.180 8.648 1.00 0.00 C ATOM 1370 C VAL A 85 5.596 6.727 9.383 1.00 0.00 C ATOM 1371 O VAL A 85 5.573 5.747 10.128 1.00 0.00 O ATOM 1372 CB VAL A 85 4.423 6.726 7.178 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.459 5.208 7.086 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.258 7.287 6.376 1.00 0.00 C ATOM 0 H VAL A 85 4.270 9.126 7.868 1.00 0.00 H new ATOM 0 HA VAL A 85 3.465 6.721 9.110 1.00 0.00 H new ATOM 0 HB VAL A 85 5.348 7.115 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.518 4.908 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.331 4.832 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.554 4.795 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.336 6.955 5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.319 6.932 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.283 8.376 6.411 1.00 0.00 H new ATOM 1384 N ARG A 86 6.691 7.447 9.169 1.00 0.00 N ATOM 1385 CA ARG A 86 7.958 7.118 9.812 1.00 0.00 C ATOM 1386 C ARG A 86 7.856 7.248 11.331 1.00 0.00 C ATOM 1387 O ARG A 86 8.688 6.716 12.064 1.00 0.00 O ATOM 1388 CB ARG A 86 9.070 8.028 9.285 1.00 0.00 C ATOM 1389 CG ARG A 86 10.467 7.558 9.657 1.00 0.00 C ATOM 1390 CD ARG A 86 11.428 7.675 8.484 1.00 0.00 C ATOM 1391 NE ARG A 86 12.123 8.960 8.470 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.865 9.390 7.453 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.014 8.642 6.367 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.463 10.572 7.522 1.00 0.00 N ATOM 0 H ARG A 86 6.727 8.261 8.556 1.00 0.00 H new ATOM 0 HA ARG A 86 8.197 6.082 9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.993 8.090 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.919 9.035 9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.840 8.149 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.426 6.522 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.159 6.868 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.878 7.550 7.551 1.00 0.00 H new ATOM 0 HE ARG A 86 12.034 9.563 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.558 7.731 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.584 8.978 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.354 11.151 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.032 10.902 6.742 1.00 0.00 H new ATOM 1408 N GLY A 87 6.834 7.961 11.798 1.00 0.00 N ATOM 1409 CA GLY A 87 6.652 8.145 13.226 1.00 0.00 C ATOM 1410 C GLY A 87 5.661 7.165 13.823 1.00 0.00 C ATOM 1411 O GLY A 87 5.755 6.818 15.001 1.00 0.00 O ATOM 0 H GLY A 87 6.131 8.413 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.613 8.033 13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.309 9.162 13.416 1.00 0.00 H new ATOM 1415 N THR A 88 4.708 6.716 13.013 1.00 0.00 N ATOM 1416 CA THR A 88 3.696 5.770 13.474 1.00 0.00 C ATOM 1417 C THR A 88 4.345 4.487 13.989 1.00 0.00 C ATOM 1418 O THR A 88 5.463 4.147 13.602 1.00 0.00 O ATOM 1419 CB THR A 88 2.716 5.444 12.348 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.408 5.164 11.144 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.735 6.561 12.064 1.00 0.00 C ATOM 0 H THR A 88 4.614 6.991 12.035 1.00 0.00 H new ATOM 0 HA THR A 88 3.149 6.235 14.294 1.00 0.00 H new ATOM 0 HB THR A 88 2.160 4.573 12.695 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.360 5.365 11.260 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.069 6.263 11.254 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.148 6.766 12.959 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.280 7.459 11.774 1.00 0.00 H new ATOM 1429 N PRO A 89 3.647 3.754 14.874 1.00 0.00 N ATOM 1430 CA PRO A 89 4.158 2.503 15.443 1.00 0.00 C ATOM 1431 C PRO A 89 4.233 1.381 14.412 1.00 0.00 C ATOM 1432 O PRO A 89 5.025 0.449 14.551 1.00 0.00 O ATOM 1433 CB PRO A 89 3.138 2.161 16.532 1.00 0.00 C ATOM 1434 CG PRO A 89 1.881 2.831 16.096 1.00 0.00 C ATOM 1435 CD PRO A 89 2.306 4.089 15.390 1.00 0.00 C ATOM 0 HA PRO A 89 5.177 2.614 15.815 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.002 1.083 16.623 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.463 2.524 17.507 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.305 2.186 15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.244 3.059 16.950 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.619 4.350 14.585 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.338 4.940 16.070 1.00 0.00 H new ATOM 1443 N GLY A 90 3.402 1.476 13.379 1.00 0.00 N ATOM 1444 CA GLY A 90 3.390 0.462 12.340 1.00 0.00 C ATOM 1445 C GLY A 90 4.750 0.269 11.699 1.00 0.00 C ATOM 1446 O GLY A 90 5.053 -0.808 11.183 1.00 0.00 O ATOM 0 H GLY A 90 2.737 2.237 13.243 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.055 -0.484 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.667 0.741 11.573 1.00 0.00 H new ATOM 1450 N ILE A 91 5.572 1.313 11.731 1.00 0.00 N ATOM 1451 CA ILE A 91 6.907 1.253 11.147 1.00 0.00 C ATOM 1452 C ILE A 91 7.938 0.803 12.178 1.00 0.00 C ATOM 1453 O ILE A 91 8.070 1.405 13.243 1.00 0.00 O ATOM 1454 CB ILE A 91 7.328 2.620 10.571 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.292 3.108 9.557 1.00 0.00 C ATOM 1456 CG2 ILE A 91 8.706 2.528 9.926 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.050 2.135 8.424 1.00 0.00 C ATOM 0 H ILE A 91 5.337 2.210 12.155 1.00 0.00 H new ATOM 0 HA ILE A 91 6.869 0.524 10.338 1.00 0.00 H new ATOM 0 HB ILE A 91 7.381 3.340 11.388 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.350 3.294 10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.622 4.061 9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.986 3.502 9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.437 2.219 10.673 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.681 1.797 9.118 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.304 2.547 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.981 1.968 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.690 1.189 8.828 1.00 0.00 H new ATOM 1567 N ARG A 100 14.399 4.079 1.826 1.00 0.00 N ATOM 1568 CA ARG A 100 13.675 4.344 0.587 1.00 0.00 C ATOM 1569 C ARG A 100 12.776 3.164 0.216 1.00 0.00 C ATOM 1570 O ARG A 100 13.265 2.103 -0.174 1.00 0.00 O ATOM 1571 CB ARG A 100 14.659 4.626 -0.550 1.00 0.00 C ATOM 1572 CG ARG A 100 14.198 5.724 -1.494 1.00 0.00 C ATOM 1573 CD ARG A 100 15.339 6.233 -2.362 1.00 0.00 C ATOM 1574 NE ARG A 100 15.973 5.158 -3.124 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.062 4.504 -2.726 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.644 4.798 -1.571 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.573 3.546 -3.489 1.00 0.00 N ATOM 0 HA ARG A 100 13.046 5.221 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 100 15.623 4.905 -0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.815 3.710 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.398 5.345 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.783 6.550 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.961 6.990 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.084 6.718 -1.732 1.00 0.00 H new ATOM 0 HE ARG A 100 15.555 4.893 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.257 5.532 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.478 4.290 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.131 3.312 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.407 3.043 -3.186 1.00 0.00 H new ATOM 1591 N PRO A 101 11.444 3.329 0.334 1.00 0.00 N ATOM 1592 CA PRO A 101 10.485 2.266 0.008 1.00 0.00 C ATOM 1593 C PRO A 101 10.633 1.773 -1.428 1.00 0.00 C ATOM 1594 O PRO A 101 11.378 2.348 -2.220 1.00 0.00 O ATOM 1595 CB PRO A 101 9.120 2.932 0.206 1.00 0.00 C ATOM 1596 CG PRO A 101 9.382 4.080 1.118 1.00 0.00 C ATOM 1597 CD PRO A 101 10.768 4.556 0.790 1.00 0.00 C ATOM 0 HA PRO A 101 10.634 1.384 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.703 3.269 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.401 2.238 0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.650 4.874 0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.310 3.774 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.758 5.322 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.262 4.989 1.660 1.00 0.00 H new ATOM 1605 N VAL A 102 9.916 0.701 -1.757 1.00 0.00 N ATOM 1606 CA VAL A 102 9.964 0.129 -3.097 1.00 0.00 C ATOM 1607 C VAL A 102 8.558 -0.063 -3.666 1.00 0.00 C ATOM 1608 O VAL A 102 7.727 -0.745 -3.065 1.00 0.00 O ATOM 1609 CB VAL A 102 10.695 -1.228 -3.102 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.868 -1.739 -4.524 1.00 0.00 C ATOM 1611 CG2 VAL A 102 12.042 -1.115 -2.403 1.00 0.00 C ATOM 0 H VAL A 102 9.295 0.212 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 102 10.513 0.834 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 102 10.086 -1.946 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.386 -2.698 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.889 -1.864 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.453 -1.022 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.542 -2.084 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.660 -0.380 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.891 -0.800 -1.370 1.00 0.00 H new ATOM 1621 N PRO A 103 8.269 0.537 -4.837 1.00 0.00 N ATOM 1622 CA PRO A 103 6.957 0.425 -5.476 1.00 0.00 C ATOM 1623 C PRO A 103 6.790 -0.888 -6.235 1.00 0.00 C ATOM 1624 O PRO A 103 7.732 -1.381 -6.854 1.00 0.00 O ATOM 1625 CB PRO A 103 6.949 1.604 -6.443 1.00 0.00 C ATOM 1626 CG PRO A 103 8.377 1.779 -6.830 1.00 0.00 C ATOM 1627 CD PRO A 103 9.194 1.374 -5.628 1.00 0.00 C ATOM 0 HA PRO A 103 6.142 0.436 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.324 1.400 -7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.553 2.503 -5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.624 1.162 -7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.581 2.813 -7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.086 0.819 -5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.530 2.243 -5.062 1.00 0.00 H new ATOM 1635 N LEU A 104 5.585 -1.449 -6.183 1.00 0.00 N ATOM 1636 CA LEU A 104 5.297 -2.704 -6.868 1.00 0.00 C ATOM 1637 C LEU A 104 5.174 -2.485 -8.373 1.00 0.00 C ATOM 1638 O LEU A 104 5.115 -1.348 -8.841 1.00 0.00 O ATOM 1639 CB LEU A 104 4.008 -3.322 -6.326 1.00 0.00 C ATOM 1640 CG LEU A 104 3.924 -3.414 -4.801 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.503 -3.149 -4.327 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.402 -4.776 -4.323 1.00 0.00 C ATOM 0 H LEU A 104 4.794 -1.055 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 104 6.125 -3.388 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.163 -2.736 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.901 -4.324 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 104 4.575 -2.652 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.463 -3.219 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.196 -2.150 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.830 -3.888 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.336 -4.824 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.777 -5.555 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.437 -4.927 -4.630 1.00 0.00 H new ATOM 1654 N SER A 105 5.139 -3.580 -9.127 1.00 0.00 N ATOM 1655 CA SER A 105 5.022 -3.505 -10.578 1.00 0.00 C ATOM 1656 C SER A 105 3.556 -3.504 -11.008 1.00 0.00 C ATOM 1657 O SER A 105 2.727 -4.191 -10.411 1.00 0.00 O ATOM 1658 CB SER A 105 5.759 -4.677 -11.232 1.00 0.00 C ATOM 1659 OG SER A 105 7.037 -4.279 -11.696 1.00 0.00 O ATOM 0 H SER A 105 5.190 -4.529 -8.756 1.00 0.00 H new ATOM 0 HA SER A 105 5.478 -2.571 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.866 -5.490 -10.514 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.170 -5.062 -12.064 1.00 0.00 H new ATOM 0 HG SER A 105 7.489 -5.045 -12.108 1.00 0.00 H new ATOM 1665 N PRO A 106 3.215 -2.731 -12.057 1.00 0.00 N ATOM 1666 CA PRO A 106 1.841 -2.646 -12.561 1.00 0.00 C ATOM 1667 C PRO A 106 1.216 -4.018 -12.795 1.00 0.00 C ATOM 1668 O PRO A 106 0.115 -4.298 -12.322 1.00 0.00 O ATOM 1669 CB PRO A 106 1.996 -1.897 -13.885 1.00 0.00 C ATOM 1670 CG PRO A 106 3.225 -1.074 -13.709 1.00 0.00 C ATOM 1671 CD PRO A 106 4.141 -1.880 -12.828 1.00 0.00 C ATOM 0 HA PRO A 106 1.178 -2.154 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.098 -2.588 -14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.127 -1.273 -14.091 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.694 -0.863 -14.670 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.989 -0.113 -13.251 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.840 -2.476 -13.414 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.736 -1.241 -12.176 1.00 0.00 H new ATOM 1679 N ASP A 107 1.927 -4.870 -13.528 1.00 0.00 N ATOM 1680 CA ASP A 107 1.440 -6.213 -13.825 1.00 0.00 C ATOM 1681 C ASP A 107 1.138 -6.984 -12.544 1.00 0.00 C ATOM 1682 O ASP A 107 0.282 -7.868 -12.527 1.00 0.00 O ATOM 1683 CB ASP A 107 2.468 -6.977 -14.663 1.00 0.00 C ATOM 1684 CG ASP A 107 1.872 -8.193 -15.343 1.00 0.00 C ATOM 1685 OD1 ASP A 107 0.860 -8.038 -16.057 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.418 -9.303 -15.161 1.00 0.00 O ATOM 0 H ASP A 107 2.841 -4.655 -13.927 1.00 0.00 H new ATOM 0 HA ASP A 107 0.515 -6.117 -14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.885 -6.310 -15.418 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.293 -7.290 -14.023 1.00 0.00 H new ATOM 1691 N GLU A 108 1.846 -6.643 -11.472 1.00 0.00 N ATOM 1692 CA GLU A 108 1.650 -7.305 -10.187 1.00 0.00 C ATOM 1693 C GLU A 108 0.588 -6.587 -9.362 1.00 0.00 C ATOM 1694 O GLU A 108 -0.188 -7.221 -8.647 1.00 0.00 O ATOM 1695 CB GLU A 108 2.968 -7.355 -9.410 1.00 0.00 C ATOM 1696 CG GLU A 108 3.798 -8.593 -9.703 1.00 0.00 C ATOM 1697 CD GLU A 108 5.271 -8.392 -9.400 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.633 -8.367 -8.204 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.062 -8.260 -10.357 1.00 0.00 O ATOM 0 H GLU A 108 2.559 -5.914 -11.467 1.00 0.00 H new ATOM 0 HA GLU A 108 1.309 -8.323 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.555 -6.469 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.753 -7.316 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.420 -9.428 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.680 -8.865 -10.752 1.00 0.00 H new ATOM 1706 N VAL A 109 0.559 -5.262 -9.464 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.406 -4.456 -8.725 1.00 0.00 C ATOM 1708 C VAL A 109 -1.838 -4.871 -9.046 1.00 0.00 C ATOM 1709 O VAL A 109 -2.720 -4.802 -8.191 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.238 -2.954 -9.033 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.146 -2.119 -8.144 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.217 -2.533 -8.868 1.00 0.00 C ATOM 0 H VAL A 109 1.194 -4.723 -10.053 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.212 -4.628 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.527 -2.782 -10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.012 -1.063 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.185 -2.400 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.893 -2.295 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.316 -1.470 -9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.536 -2.721 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.842 -3.106 -9.553 1.00 0.00 H new ATOM 1722 N ARG A 110 -2.065 -5.299 -10.281 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.394 -5.721 -10.708 1.00 0.00 C ATOM 1724 C ARG A 110 -3.715 -7.121 -10.196 1.00 0.00 C ATOM 1725 O ARG A 110 -4.880 -7.461 -9.985 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.497 -5.682 -12.235 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.595 -4.766 -12.747 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.119 -3.325 -12.844 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.726 -2.622 -13.971 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.982 -2.184 -13.983 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -6.769 -2.375 -12.933 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -6.454 -1.553 -15.050 1.00 0.00 N ATOM 0 H ARG A 110 -1.348 -5.363 -11.004 1.00 0.00 H new ATOM 0 HA ARG A 110 -4.121 -5.028 -10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.542 -5.356 -12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.676 -6.692 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.927 -5.107 -13.727 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.456 -4.822 -12.081 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.359 -2.801 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.034 -3.308 -12.948 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.153 -2.457 -14.798 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.412 -2.860 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.731 -2.037 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.854 -1.404 -15.861 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.417 -1.217 -15.059 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.681 -7.929 -9.996 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.862 -9.290 -9.507 1.00 0.00 C ATOM 1748 C HIS A 111 -2.997 -9.309 -7.989 1.00 0.00 C ATOM 1749 O HIS A 111 -3.737 -10.123 -7.435 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.692 -10.173 -9.942 1.00 0.00 C ATOM 1751 CG HIS A 111 -2.113 -11.520 -10.441 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -3.257 -11.725 -11.184 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.537 -12.737 -10.300 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -3.367 -13.007 -11.478 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -2.335 -13.644 -10.954 1.00 0.00 N ATOM 0 H HIS A 111 -1.710 -7.666 -10.165 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.782 -9.685 -9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.134 -9.662 -10.726 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.012 -10.303 -9.100 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.621 -12.954 -9.772 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -4.165 -13.458 -12.049 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.159 -14.646 -11.024 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.283 -8.410 -7.321 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.337 -8.333 -5.867 1.00 0.00 C ATOM 1766 C ILE A 112 -3.562 -7.551 -5.403 1.00 0.00 C ATOM 1767 O ILE A 112 -3.985 -7.672 -4.253 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.063 -7.692 -5.281 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.914 -6.245 -5.764 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.160 -8.516 -5.660 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.392 -5.597 -5.349 1.00 0.00 C ATOM 0 H ILE A 112 -1.664 -7.729 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.408 -9.357 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.148 -7.677 -4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.991 -6.224 -6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.743 -5.654 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.054 -8.054 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.055 -9.526 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.248 -8.558 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.427 -4.575 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.463 -5.585 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.227 -6.164 -5.761 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.136 -6.757 -6.305 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.319 -5.968 -5.982 1.00 0.00 C ATOM 1785 C LEU A 113 -6.587 -6.797 -6.164 1.00 0.00 C ATOM 1786 O LEU A 113 -7.614 -6.523 -5.541 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.382 -4.716 -6.861 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.493 -3.558 -6.405 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.509 -2.439 -7.436 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.943 -3.040 -5.047 1.00 0.00 C ATOM 0 H LEU A 113 -3.801 -6.644 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.249 -5.664 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.101 -4.990 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.414 -4.368 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.471 -3.925 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.872 -1.622 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.138 -2.817 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.529 -2.075 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.298 -2.217 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.973 -2.689 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.881 -3.843 -4.312 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.511 -7.813 -7.020 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.656 -8.680 -7.279 1.00 0.00 C ATOM 1804 C GLU A 114 -7.869 -9.662 -6.132 1.00 0.00 C ATOM 1805 O GLU A 114 -9.000 -10.035 -5.823 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.456 -9.445 -8.590 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.640 -10.321 -8.969 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.224 -11.725 -9.361 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.487 -12.366 -8.581 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.636 -12.185 -10.447 1.00 0.00 O ATOM 0 H GLU A 114 -5.670 -8.055 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.543 -8.052 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.271 -8.732 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.566 -10.068 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.333 -10.372 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.178 -9.860 -9.798 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.774 -10.079 -5.502 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.844 -11.019 -4.389 1.00 0.00 C ATOM 1819 C VAL A 115 -7.277 -10.321 -3.105 1.00 0.00 C ATOM 1820 O VAL A 115 -8.023 -10.882 -2.302 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.490 -11.714 -4.149 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.631 -12.816 -3.109 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.933 -12.269 -5.451 1.00 0.00 C ATOM 0 H VAL A 115 -5.829 -9.781 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.586 -11.770 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.787 -10.973 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.664 -13.295 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.979 -12.387 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.351 -13.556 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.977 -12.756 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.633 -12.994 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.790 -11.455 -6.162 1.00 0.00 H new ATOM 1833 N SER A 116 -6.805 -9.092 -2.916 1.00 0.00 N ATOM 1834 CA SER A 116 -7.144 -8.318 -1.727 1.00 0.00 C ATOM 1835 C SER A 116 -8.656 -8.154 -1.596 1.00 0.00 C ATOM 1836 O SER A 116 -9.235 -8.466 -0.554 1.00 0.00 O ATOM 1837 CB SER A 116 -6.471 -6.943 -1.777 1.00 0.00 C ATOM 1838 OG SER A 116 -5.814 -6.653 -0.555 1.00 0.00 O ATOM 0 H SER A 116 -6.187 -8.612 -3.570 1.00 0.00 H new ATOM 0 HA SER A 116 -6.779 -8.861 -0.855 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.752 -6.916 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.218 -6.176 -1.983 1.00 0.00 H new ATOM 0 HG SER A 116 -6.464 -6.670 0.178 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.290 -7.669 -2.659 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.728 -7.479 -2.641 1.00 0.00 C ATOM 1846 C GLY A 117 -11.170 -6.245 -3.405 1.00 0.00 C ATOM 1847 O GLY A 117 -12.086 -5.541 -2.979 1.00 0.00 O ATOM 0 H GLY A 117 -8.833 -7.404 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.211 -8.357 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.066 -7.401 -1.608 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.523 -5.982 -4.537 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.863 -4.825 -5.359 1.00 0.00 C ATOM 1853 C LEU A 118 -11.350 -5.264 -6.736 1.00 0.00 C ATOM 1854 O LEU A 118 -12.448 -4.903 -7.162 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.654 -3.898 -5.509 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.887 -3.605 -4.217 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.823 -2.546 -4.460 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.839 -3.163 -3.114 1.00 0.00 C ATOM 0 H LEU A 118 -9.762 -6.553 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.666 -4.283 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.965 -4.341 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.993 -2.953 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.395 -4.523 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.287 -2.349 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.122 -2.901 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.296 -1.628 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.273 -2.960 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.362 -2.259 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.564 -3.953 -2.921 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.526 -6.044 -7.427 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.870 -6.534 -8.757 1.00 0.00 C ATOM 1872 C LEU A 119 -11.701 -7.809 -8.668 1.00 0.00 C ATOM 1873 O LEU A 119 -12.681 -7.976 -9.395 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.598 -6.787 -9.571 1.00 0.00 C ATOM 1875 CG LEU A 119 -9.375 -5.826 -10.741 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -10.450 -6.019 -11.800 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -9.362 -4.388 -10.249 1.00 0.00 C ATOM 0 H LEU A 119 -9.614 -6.351 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.467 -5.772 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.739 -6.727 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.629 -7.805 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.407 -6.046 -11.191 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.276 -5.328 -12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.415 -7.043 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.430 -5.824 -11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.202 -3.716 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.317 -4.157 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.558 -4.258 -9.525 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.304 -8.708 -7.773 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.024 -9.957 -7.606 1.00 0.00 C ATOM 1891 C GLY A 120 -13.114 -9.863 -6.556 1.00 0.00 C ATOM 1892 O GLY A 120 -13.741 -8.790 -6.445 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.337 -10.864 -5.843 1.00 0.00 O ATOM 0 H GLY A 120 -10.496 -8.594 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.466 -10.248 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.322 -10.743 -7.327 1.00 0.00 H new