USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 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 25 THR OG1 : rot 180:sc= 0.0795 USER MOD Set 1.2: A 28 THR OG1 : rot 63:sc= 0.177 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.222 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -145:sc= -0.705 (180deg=-2.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.84 X(o=-2.8,f=-3.3) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.268 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 84:sc= -0.146 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.48) USER MOD Single : A 44 THR OG1 : rot 49:sc= 0.314 USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-0.89) USER MOD Single : A 63 HIS : no HD1:sc= -0.349 K(o=-0.35,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.36) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.394 K(o=-0.39,f=-2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0258 K(o=-0.026,f=-1.2) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.316 K(o=0.32,f=-3.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 55:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.577 13.224 -16.741 1.00 0.00 N ATOM 2 CA GLY A 1 19.377 11.855 -17.178 1.00 0.00 C ATOM 3 C GLY A 1 19.046 10.922 -16.030 1.00 0.00 C ATOM 4 O GLY A 1 19.686 9.885 -15.859 1.00 0.00 O ATOM 0 H1 GLY A 1 19.801 13.821 -17.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.710 13.573 -16.285 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.364 13.260 -16.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.570 11.825 -17.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.277 11.502 -17.681 1.00 0.00 H new ATOM 8 N SER A 2 18.043 11.292 -15.239 1.00 0.00 N ATOM 9 CA SER A 2 17.632 10.483 -14.097 1.00 0.00 C ATOM 10 C SER A 2 16.240 10.886 -13.619 1.00 0.00 C ATOM 11 O SER A 2 15.967 12.065 -13.393 1.00 0.00 O ATOM 12 CB SER A 2 18.638 10.629 -12.954 1.00 0.00 C ATOM 13 OG SER A 2 18.608 11.938 -12.412 1.00 0.00 O ATOM 0 H SER A 2 17.501 12.146 -15.368 1.00 0.00 H new ATOM 0 HA SER A 2 17.601 9.440 -14.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.413 9.903 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.641 10.405 -13.317 1.00 0.00 H new ATOM 0 HG SER A 2 17.744 12.356 -12.613 1.00 0.00 H new ATOM 19 N SER A 3 15.364 9.898 -13.469 1.00 0.00 N ATOM 20 CA SER A 3 13.999 10.148 -13.022 1.00 0.00 C ATOM 21 C SER A 3 13.961 10.425 -11.522 1.00 0.00 C ATOM 22 O SER A 3 14.980 10.344 -10.838 1.00 0.00 O ATOM 23 CB SER A 3 13.104 8.953 -13.355 1.00 0.00 C ATOM 24 OG SER A 3 12.908 8.836 -14.753 1.00 0.00 O ATOM 0 H SER A 3 15.575 8.917 -13.651 1.00 0.00 H new ATOM 0 HA SER A 3 13.627 11.028 -13.546 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.555 8.038 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.141 9.067 -12.858 1.00 0.00 H new ATOM 0 HG SER A 3 12.334 8.064 -14.939 1.00 0.00 H new ATOM 30 N GLY A 4 12.775 10.753 -11.017 1.00 0.00 N ATOM 31 CA GLY A 4 12.624 11.037 -9.602 1.00 0.00 C ATOM 32 C GLY A 4 11.210 10.801 -9.111 1.00 0.00 C ATOM 33 O GLY A 4 10.260 11.388 -9.629 1.00 0.00 O ATOM 0 H GLY A 4 11.917 10.827 -11.563 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.312 10.411 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.904 12.073 -9.411 1.00 0.00 H new ATOM 37 N SER A 5 11.068 9.939 -8.109 1.00 0.00 N ATOM 38 CA SER A 5 9.759 9.622 -7.552 1.00 0.00 C ATOM 39 C SER A 5 9.334 10.675 -6.533 1.00 0.00 C ATOM 40 O SER A 5 10.171 11.289 -5.872 1.00 0.00 O ATOM 41 CB SER A 5 9.781 8.241 -6.896 1.00 0.00 C ATOM 42 OG SER A 5 10.446 8.280 -5.645 1.00 0.00 O ATOM 0 H SER A 5 11.844 9.448 -7.666 1.00 0.00 H new ATOM 0 HA SER A 5 9.036 9.617 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.760 7.885 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.280 7.530 -7.555 1.00 0.00 H new ATOM 0 HG SER A 5 10.445 7.385 -5.246 1.00 0.00 H new ATOM 48 N SER A 6 8.026 10.879 -6.412 1.00 0.00 N ATOM 49 CA SER A 6 7.488 11.860 -5.477 1.00 0.00 C ATOM 50 C SER A 6 5.987 11.660 -5.283 1.00 0.00 C ATOM 51 O SER A 6 5.232 11.572 -6.250 1.00 0.00 O ATOM 52 CB SER A 6 7.764 13.278 -5.978 1.00 0.00 C ATOM 53 OG SER A 6 7.357 14.245 -5.025 1.00 0.00 O ATOM 0 H SER A 6 7.319 10.378 -6.950 1.00 0.00 H new ATOM 0 HA SER A 6 7.983 11.719 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.828 13.393 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.236 13.444 -6.917 1.00 0.00 H new ATOM 0 HG SER A 6 7.546 15.143 -5.369 1.00 0.00 H new ATOM 59 N GLY A 7 5.564 11.589 -4.025 1.00 0.00 N ATOM 60 CA GLY A 7 4.156 11.400 -3.726 1.00 0.00 C ATOM 61 C GLY A 7 3.857 11.519 -2.245 1.00 0.00 C ATOM 62 O GLY A 7 4.730 11.880 -1.456 1.00 0.00 O ATOM 0 H GLY A 7 6.170 11.659 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.569 12.138 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.841 10.418 -4.079 1.00 0.00 H new ATOM 66 N MET A 8 2.620 11.216 -1.866 1.00 0.00 N ATOM 67 CA MET A 8 2.208 11.291 -0.469 1.00 0.00 C ATOM 68 C MET A 8 2.669 10.057 0.300 1.00 0.00 C ATOM 69 O MET A 8 3.263 9.144 -0.272 1.00 0.00 O ATOM 70 CB MET A 8 0.688 11.431 -0.370 1.00 0.00 C ATOM 71 CG MET A 8 0.133 12.605 -1.159 1.00 0.00 C ATOM 72 SD MET A 8 -0.157 12.202 -2.892 1.00 0.00 S ATOM 73 CE MET A 8 -1.894 12.610 -3.048 1.00 0.00 C ATOM 0 H MET A 8 1.885 10.916 -2.507 1.00 0.00 H new ATOM 0 HA MET A 8 2.675 12.170 -0.024 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.223 10.512 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.409 11.544 0.678 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.802 12.933 -0.705 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.829 13.442 -1.096 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.371 11.913 -3.737 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.373 12.540 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.996 13.626 -3.430 1.00 0.00 H new ATOM 83 N GLU A 9 2.391 10.038 1.600 1.00 0.00 N ATOM 84 CA GLU A 9 2.779 8.916 2.447 1.00 0.00 C ATOM 85 C GLU A 9 1.549 8.218 3.021 1.00 0.00 C ATOM 86 O GLU A 9 0.502 8.837 3.211 1.00 0.00 O ATOM 87 CB GLU A 9 3.685 9.394 3.583 1.00 0.00 C ATOM 88 CG GLU A 9 4.770 10.357 3.132 1.00 0.00 C ATOM 89 CD GLU A 9 4.209 11.670 2.620 1.00 0.00 C ATOM 90 OE1 GLU A 9 3.451 12.323 3.367 1.00 0.00 O ATOM 91 OE2 GLU A 9 4.529 12.044 1.472 1.00 0.00 O ATOM 0 H GLU A 9 1.899 10.786 2.089 1.00 0.00 H new ATOM 0 HA GLU A 9 3.327 8.202 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.074 9.879 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.152 8.528 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.444 10.555 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.363 9.888 2.346 1.00 0.00 H new ATOM 98 N LEU A 10 1.685 6.925 3.296 1.00 0.00 N ATOM 99 CA LEU A 10 0.585 6.141 3.848 1.00 0.00 C ATOM 100 C LEU A 10 1.077 5.227 4.967 1.00 0.00 C ATOM 101 O LEU A 10 2.055 4.498 4.803 1.00 0.00 O ATOM 102 CB LEU A 10 -0.077 5.309 2.749 1.00 0.00 C ATOM 103 CG LEU A 10 -1.553 4.970 2.960 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.439 6.082 2.418 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.896 3.643 2.300 1.00 0.00 C ATOM 0 H LEU A 10 2.545 6.398 3.146 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.149 6.832 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.020 5.847 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.478 4.377 2.643 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.735 4.877 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.486 5.823 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.213 7.013 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.254 6.207 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.950 3.418 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.698 3.707 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.286 2.852 2.736 1.00 0.00 H new ATOM 117 N LYS A 11 0.390 5.270 6.103 1.00 0.00 N ATOM 118 CA LYS A 11 0.753 4.444 7.249 1.00 0.00 C ATOM 119 C LYS A 11 -0.172 3.237 7.364 1.00 0.00 C ATOM 120 O LYS A 11 -1.335 3.367 7.748 1.00 0.00 O ATOM 121 CB LYS A 11 0.695 5.269 8.537 1.00 0.00 C ATOM 122 CG LYS A 11 1.491 6.560 8.468 1.00 0.00 C ATOM 123 CD LYS A 11 1.359 7.366 9.750 1.00 0.00 C ATOM 124 CE LYS A 11 2.421 8.450 9.839 1.00 0.00 C ATOM 125 NZ LYS A 11 2.731 8.809 11.251 1.00 0.00 N ATOM 0 H LYS A 11 -0.422 5.868 6.255 1.00 0.00 H new ATOM 0 HA LYS A 11 1.772 4.086 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.345 5.505 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.070 4.665 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.541 6.332 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.145 7.157 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.369 7.820 9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.444 6.701 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.330 8.109 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.080 9.337 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.459 9.551 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.870 9.158 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.081 7.969 11.754 1.00 0.00 H new ATOM 139 N VAL A 12 0.352 2.062 7.030 1.00 0.00 N ATOM 140 CA VAL A 12 -0.426 0.831 7.098 1.00 0.00 C ATOM 141 C VAL A 12 0.219 -0.176 8.044 1.00 0.00 C ATOM 142 O VAL A 12 1.431 -0.388 8.007 1.00 0.00 O ATOM 143 CB VAL A 12 -0.581 0.186 5.708 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.662 -0.883 5.732 1.00 0.00 C ATOM 145 CG2 VAL A 12 -0.890 1.246 4.661 1.00 0.00 C ATOM 0 H VAL A 12 1.312 1.937 6.710 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.412 1.101 7.477 1.00 0.00 H new ATOM 0 HB VAL A 12 0.362 -0.292 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.757 -1.327 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.393 -1.656 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.612 -0.433 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.996 0.773 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.818 1.754 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.077 1.971 4.626 1.00 0.00 H new ATOM 155 N TRP A 13 -0.598 -0.793 8.889 1.00 0.00 N ATOM 156 CA TRP A 13 -0.106 -1.779 9.846 1.00 0.00 C ATOM 157 C TRP A 13 0.072 -3.140 9.182 1.00 0.00 C ATOM 158 O TRP A 13 -0.786 -3.587 8.420 1.00 0.00 O ATOM 159 CB TRP A 13 -1.068 -1.897 11.029 1.00 0.00 C ATOM 160 CG TRP A 13 -1.061 -0.694 11.922 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.868 0.404 11.826 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.203 -0.466 13.046 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.564 1.300 12.823 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.547 0.789 13.585 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.820 -1.201 13.651 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.098 1.323 14.698 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.459 -0.670 14.755 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.096 0.582 15.270 1.00 0.00 C ATOM 0 H TRP A 13 -1.604 -0.629 8.932 1.00 0.00 H new ATOM 0 HA TRP A 13 0.865 -1.443 10.209 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.078 -2.055 10.652 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.805 -2.777 11.615 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.633 0.547 11.077 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.022 2.199 12.971 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.106 -2.167 13.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.180 2.288 15.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.252 -1.229 15.229 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.614 0.969 16.135 1.00 0.00 H new ATOM 179 N VAL A 14 1.191 -3.795 9.475 1.00 0.00 N ATOM 180 CA VAL A 14 1.480 -5.106 8.907 1.00 0.00 C ATOM 181 C VAL A 14 2.077 -6.039 9.954 1.00 0.00 C ATOM 182 O VAL A 14 3.216 -5.857 10.386 1.00 0.00 O ATOM 183 CB VAL A 14 2.452 -5.000 7.716 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.840 -6.384 7.219 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.834 -4.176 6.597 1.00 0.00 C ATOM 0 H VAL A 14 1.912 -3.439 10.102 1.00 0.00 H new ATOM 0 HA VAL A 14 0.532 -5.515 8.558 1.00 0.00 H new ATOM 0 HB VAL A 14 3.357 -4.494 8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.527 -6.289 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.326 -6.937 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.946 -6.920 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.534 -4.111 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.913 -4.652 6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.612 -3.174 6.963 1.00 0.00 H new ATOM 195 N ASP A 15 1.302 -7.039 10.359 1.00 0.00 N ATOM 196 CA ASP A 15 1.754 -8.003 11.355 1.00 0.00 C ATOM 197 C ASP A 15 2.265 -7.293 12.605 1.00 0.00 C ATOM 198 O ASP A 15 3.221 -7.740 13.238 1.00 0.00 O ATOM 199 CB ASP A 15 2.854 -8.892 10.773 1.00 0.00 C ATOM 200 CG ASP A 15 3.059 -10.161 11.577 1.00 0.00 C ATOM 201 OD1 ASP A 15 3.585 -10.070 12.706 1.00 0.00 O ATOM 202 OD2 ASP A 15 2.693 -11.245 11.078 1.00 0.00 O ATOM 0 H ASP A 15 0.357 -7.203 10.012 1.00 0.00 H new ATOM 0 HA ASP A 15 0.904 -8.626 11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.600 -9.153 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.789 -8.333 10.738 1.00 0.00 H new ATOM 207 N GLY A 16 1.621 -6.184 12.954 1.00 0.00 N ATOM 208 CA GLY A 16 2.026 -5.429 14.126 1.00 0.00 C ATOM 209 C GLY A 16 3.205 -4.517 13.850 1.00 0.00 C ATOM 210 O GLY A 16 3.952 -4.164 14.762 1.00 0.00 O ATOM 0 H GLY A 16 0.826 -5.795 12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.184 -4.833 14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.285 -6.120 14.928 1.00 0.00 H new ATOM 214 N VAL A 17 3.373 -4.136 12.588 1.00 0.00 N ATOM 215 CA VAL A 17 4.470 -3.260 12.194 1.00 0.00 C ATOM 216 C VAL A 17 3.989 -2.171 11.242 1.00 0.00 C ATOM 217 O VAL A 17 3.380 -2.459 10.212 1.00 0.00 O ATOM 218 CB VAL A 17 5.606 -4.051 11.519 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.734 -3.119 11.104 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.120 -5.142 12.448 1.00 0.00 C ATOM 0 H VAL A 17 2.764 -4.420 11.821 1.00 0.00 H new ATOM 0 HA VAL A 17 4.850 -2.800 13.106 1.00 0.00 H new ATOM 0 HB VAL A 17 5.210 -4.525 10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.527 -3.697 10.629 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.354 -2.378 10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.131 -2.613 11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.922 -5.691 11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.499 -4.690 13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.307 -5.827 12.690 1.00 0.00 H new ATOM 230 N GLN A 18 4.268 -0.920 11.593 1.00 0.00 N ATOM 231 CA GLN A 18 3.863 0.213 10.769 1.00 0.00 C ATOM 232 C GLN A 18 4.784 0.365 9.563 1.00 0.00 C ATOM 233 O GLN A 18 6.003 0.458 9.708 1.00 0.00 O ATOM 234 CB GLN A 18 3.868 1.500 11.595 1.00 0.00 C ATOM 235 CG GLN A 18 2.531 1.807 12.251 1.00 0.00 C ATOM 236 CD GLN A 18 2.679 2.606 13.531 1.00 0.00 C ATOM 237 OE1 GLN A 18 3.496 2.276 14.391 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.888 3.664 13.664 1.00 0.00 N ATOM 0 H GLN A 18 4.773 -0.665 12.442 1.00 0.00 H new ATOM 0 HA GLN A 18 2.851 0.025 10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.633 1.423 12.367 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.148 2.334 10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.906 2.362 11.551 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.014 0.872 12.468 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.225 3.901 12.926 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.943 4.240 14.504 1.00 0.00 H new ATOM 247 N ARG A 19 4.193 0.389 8.372 1.00 0.00 N ATOM 248 CA ARG A 19 4.961 0.529 7.141 1.00 0.00 C ATOM 249 C ARG A 19 4.544 1.784 6.380 1.00 0.00 C ATOM 250 O ARG A 19 3.445 1.851 5.828 1.00 0.00 O ATOM 251 CB ARG A 19 4.773 -0.704 6.255 1.00 0.00 C ATOM 252 CG ARG A 19 5.223 -1.999 6.910 1.00 0.00 C ATOM 253 CD ARG A 19 6.730 -2.180 6.810 1.00 0.00 C ATOM 254 NE ARG A 19 7.158 -2.450 5.440 1.00 0.00 N ATOM 255 CZ ARG A 19 8.295 -3.065 5.133 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.113 -3.471 6.094 1.00 0.00 N ATOM 257 NH2 ARG A 19 8.616 -3.275 3.862 1.00 0.00 N ATOM 0 H ARG A 19 3.185 0.313 8.234 1.00 0.00 H new ATOM 0 HA ARG A 19 6.014 0.620 7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.720 -0.790 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.329 -0.563 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.924 -2.001 7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.722 -2.842 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.228 -1.282 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.040 -3.002 7.456 1.00 0.00 H new ATOM 0 HE ARG A 19 6.551 -2.150 4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.870 -3.311 7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.985 -3.943 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.989 -2.964 3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.489 -3.747 3.628 1.00 0.00 H new ATOM 271 N ILE A 20 5.428 2.775 6.354 1.00 0.00 N ATOM 272 CA ILE A 20 5.152 4.027 5.660 1.00 0.00 C ATOM 273 C ILE A 20 5.614 3.964 4.208 1.00 0.00 C ATOM 274 O ILE A 20 6.812 3.946 3.926 1.00 0.00 O ATOM 275 CB ILE A 20 5.839 5.218 6.354 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.383 5.320 7.811 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.539 6.510 5.608 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.192 6.301 8.630 1.00 0.00 C ATOM 0 H ILE A 20 6.342 2.736 6.805 1.00 0.00 H new ATOM 0 HA ILE A 20 4.072 4.173 5.689 1.00 0.00 H new ATOM 0 HB ILE A 20 6.917 5.055 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.334 5.617 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.446 4.335 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.031 7.343 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.908 6.434 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.462 6.680 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.813 6.321 9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.238 5.994 8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.109 7.296 8.192 1.00 0.00 H new ATOM 290 N VAL A 21 4.654 3.932 3.289 1.00 0.00 N ATOM 291 CA VAL A 21 4.961 3.874 1.865 1.00 0.00 C ATOM 292 C VAL A 21 5.140 5.272 1.284 1.00 0.00 C ATOM 293 O VAL A 21 4.164 5.973 1.014 1.00 0.00 O ATOM 294 CB VAL A 21 3.854 3.143 1.081 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.183 3.111 -0.403 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.660 1.735 1.623 1.00 0.00 C ATOM 0 H VAL A 21 3.657 3.945 3.505 1.00 0.00 H new ATOM 0 HA VAL A 21 5.894 3.319 1.765 1.00 0.00 H new ATOM 0 HB VAL A 21 2.920 3.690 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.390 2.591 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.268 4.131 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.127 2.589 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.875 1.233 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.591 1.176 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.375 1.786 2.674 1.00 0.00 H new ATOM 306 N CYS A 22 6.393 5.671 1.094 1.00 0.00 N ATOM 307 CA CYS A 22 6.701 6.987 0.544 1.00 0.00 C ATOM 308 C CYS A 22 6.905 6.912 -0.965 1.00 0.00 C ATOM 309 O CYS A 22 7.853 6.291 -1.444 1.00 0.00 O ATOM 310 CB CYS A 22 7.952 7.561 1.212 1.00 0.00 C ATOM 311 SG CYS A 22 7.804 7.767 3.002 1.00 0.00 S ATOM 0 H CYS A 22 7.211 5.103 1.312 1.00 0.00 H new ATOM 0 HA CYS A 22 5.855 7.645 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.797 6.905 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.179 8.528 0.763 1.00 0.00 H new ATOM 0 HG CYS A 22 8.912 8.255 3.476 1.00 0.00 H new ATOM 317 N GLY A 23 6.006 7.547 -1.711 1.00 0.00 N ATOM 318 CA GLY A 23 6.104 7.539 -3.159 1.00 0.00 C ATOM 319 C GLY A 23 4.826 7.066 -3.824 1.00 0.00 C ATOM 320 O GLY A 23 4.862 6.463 -4.896 1.00 0.00 O ATOM 0 H GLY A 23 5.212 8.067 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.342 8.543 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.928 6.892 -3.461 1.00 0.00 H new ATOM 324 N VAL A 24 3.693 7.339 -3.185 1.00 0.00 N ATOM 325 CA VAL A 24 2.398 6.938 -3.721 1.00 0.00 C ATOM 326 C VAL A 24 1.674 8.121 -4.354 1.00 0.00 C ATOM 327 O VAL A 24 1.833 9.264 -3.923 1.00 0.00 O ATOM 328 CB VAL A 24 1.502 6.328 -2.626 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.602 7.138 -1.342 1.00 0.00 C ATOM 330 CG2 VAL A 24 0.060 6.246 -3.103 1.00 0.00 C ATOM 0 H VAL A 24 3.646 7.836 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 24 2.591 6.184 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 24 1.850 5.316 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.963 6.692 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.635 7.141 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.281 8.162 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.559 5.813 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.302 7.246 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.006 5.620 -3.994 1.00 0.00 H new ATOM 340 N THR A 25 0.876 7.839 -5.380 1.00 0.00 N ATOM 341 CA THR A 25 0.128 8.880 -6.073 1.00 0.00 C ATOM 342 C THR A 25 -1.370 8.600 -6.032 1.00 0.00 C ATOM 343 O THR A 25 -1.809 7.608 -5.451 1.00 0.00 O ATOM 344 CB THR A 25 0.574 9.008 -7.542 1.00 0.00 C ATOM 345 OG1 THR A 25 0.644 7.713 -8.148 1.00 0.00 O ATOM 346 CG2 THR A 25 1.930 9.692 -7.638 1.00 0.00 C ATOM 0 H THR A 25 0.732 6.899 -5.749 1.00 0.00 H new ATOM 0 HA THR A 25 0.335 9.816 -5.555 1.00 0.00 H new ATOM 0 HB THR A 25 -0.161 9.616 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.927 7.804 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.224 9.771 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.866 10.689 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.672 9.106 -7.096 1.00 0.00 H new ATOM 354 N GLU A 26 -2.149 9.480 -6.653 1.00 0.00 N ATOM 355 CA GLU A 26 -3.599 9.326 -6.686 1.00 0.00 C ATOM 356 C GLU A 26 -3.998 8.113 -7.520 1.00 0.00 C ATOM 357 O GLU A 26 -4.834 7.309 -7.108 1.00 0.00 O ATOM 358 CB GLU A 26 -4.255 10.587 -7.252 1.00 0.00 C ATOM 359 CG GLU A 26 -4.107 11.805 -6.357 1.00 0.00 C ATOM 360 CD GLU A 26 -4.796 13.032 -6.922 1.00 0.00 C ATOM 361 OE1 GLU A 26 -5.792 12.867 -7.657 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.339 14.157 -6.630 1.00 0.00 O ATOM 0 H GLU A 26 -1.801 10.306 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.946 9.172 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.818 10.807 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.315 10.393 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.521 11.581 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.048 12.021 -6.215 1.00 0.00 H new ATOM 369 N VAL A 27 -3.395 7.987 -8.698 1.00 0.00 N ATOM 370 CA VAL A 27 -3.686 6.872 -9.592 1.00 0.00 C ATOM 371 C VAL A 27 -3.456 5.536 -8.895 1.00 0.00 C ATOM 372 O VAL A 27 -3.975 4.503 -9.321 1.00 0.00 O ATOM 373 CB VAL A 27 -2.820 6.932 -10.864 1.00 0.00 C ATOM 374 CG1 VAL A 27 -1.348 7.065 -10.502 1.00 0.00 C ATOM 375 CG2 VAL A 27 -3.056 5.701 -11.727 1.00 0.00 C ATOM 0 H VAL A 27 -2.701 8.644 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.736 6.956 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.109 7.812 -11.439 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.751 7.106 -11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.196 7.979 -9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.041 6.206 -9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.436 5.760 -12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.795 4.806 -11.163 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.106 5.655 -12.015 1.00 0.00 H new ATOM 385 N THR A 28 -2.675 5.561 -7.820 1.00 0.00 N ATOM 386 CA THR A 28 -2.375 4.352 -7.064 1.00 0.00 C ATOM 387 C THR A 28 -3.611 3.840 -6.333 1.00 0.00 C ATOM 388 O THR A 28 -4.095 4.470 -5.392 1.00 0.00 O ATOM 389 CB THR A 28 -1.250 4.593 -6.040 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.071 5.057 -6.707 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.935 3.319 -5.271 1.00 0.00 C ATOM 0 H THR A 28 -2.238 6.407 -7.453 1.00 0.00 H new ATOM 0 HA THR A 28 -2.045 3.603 -7.784 1.00 0.00 H new ATOM 0 HB THR A 28 -1.589 5.350 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.253 5.923 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.138 3.515 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.826 2.985 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.615 2.544 -5.967 1.00 0.00 H new ATOM 399 N THR A 29 -4.119 2.692 -6.772 1.00 0.00 N ATOM 400 CA THR A 29 -5.299 2.095 -6.159 1.00 0.00 C ATOM 401 C THR A 29 -4.925 1.266 -4.936 1.00 0.00 C ATOM 402 O THR A 29 -3.745 1.109 -4.619 1.00 0.00 O ATOM 403 CB THR A 29 -6.060 1.202 -7.158 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.226 0.115 -7.575 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.503 2.004 -8.372 1.00 0.00 C ATOM 0 H THR A 29 -3.731 2.158 -7.550 1.00 0.00 H new ATOM 0 HA THR A 29 -5.945 2.917 -5.852 1.00 0.00 H new ATOM 0 HB THR A 29 -6.946 0.809 -6.660 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.716 -0.449 -8.209 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.038 1.353 -9.063 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.160 2.813 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.629 2.422 -8.871 1.00 0.00 H new ATOM 413 N CYS A 30 -5.934 0.738 -4.254 1.00 0.00 N ATOM 414 CA CYS A 30 -5.710 -0.076 -3.064 1.00 0.00 C ATOM 415 C CYS A 30 -4.796 -1.256 -3.377 1.00 0.00 C ATOM 416 O CYS A 30 -3.764 -1.442 -2.732 1.00 0.00 O ATOM 417 CB CYS A 30 -7.042 -0.581 -2.508 1.00 0.00 C ATOM 418 SG CYS A 30 -7.822 0.543 -1.326 1.00 0.00 S ATOM 0 H CYS A 30 -6.916 0.858 -4.504 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.224 0.548 -2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.728 -0.752 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.880 -1.544 -2.024 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.505 1.443 -1.969 1.00 0.00 H new ATOM 424 N GLN A 31 -5.182 -2.051 -4.370 1.00 0.00 N ATOM 425 CA GLN A 31 -4.398 -3.214 -4.766 1.00 0.00 C ATOM 426 C GLN A 31 -2.940 -2.833 -5.001 1.00 0.00 C ATOM 427 O GLN A 31 -2.037 -3.376 -4.365 1.00 0.00 O ATOM 428 CB GLN A 31 -4.983 -3.843 -6.032 1.00 0.00 C ATOM 429 CG GLN A 31 -4.261 -5.106 -6.473 1.00 0.00 C ATOM 430 CD GLN A 31 -5.133 -6.010 -7.322 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.034 -6.679 -6.813 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.871 -6.036 -8.623 1.00 0.00 N ATOM 0 H GLN A 31 -6.033 -1.911 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.439 -3.941 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.034 -4.076 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.947 -3.113 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.370 -4.832 -7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.925 -5.654 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.115 -5.466 -9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.425 -6.626 -9.243 1.00 0.00 H new ATOM 441 N GLU A 32 -2.718 -1.897 -5.918 1.00 0.00 N ATOM 442 CA GLU A 32 -1.369 -1.445 -6.237 1.00 0.00 C ATOM 443 C GLU A 32 -0.515 -1.350 -4.976 1.00 0.00 C ATOM 444 O GLU A 32 0.590 -1.889 -4.918 1.00 0.00 O ATOM 445 CB GLU A 32 -1.414 -0.087 -6.939 1.00 0.00 C ATOM 446 CG GLU A 32 -1.812 -0.171 -8.403 1.00 0.00 C ATOM 447 CD GLU A 32 -1.832 1.185 -9.081 1.00 0.00 C ATOM 448 OE1 GLU A 32 -0.756 1.809 -9.192 1.00 0.00 O ATOM 449 OE2 GLU A 32 -2.924 1.622 -9.501 1.00 0.00 O ATOM 0 H GLU A 32 -3.455 -1.437 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.918 -2.177 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.119 0.560 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.434 0.384 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.116 -0.825 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.799 -0.627 -8.482 1.00 0.00 H new ATOM 456 N VAL A 33 -1.035 -0.659 -3.967 1.00 0.00 N ATOM 457 CA VAL A 33 -0.322 -0.492 -2.706 1.00 0.00 C ATOM 458 C VAL A 33 -0.141 -1.829 -1.996 1.00 0.00 C ATOM 459 O VAL A 33 0.984 -2.272 -1.762 1.00 0.00 O ATOM 460 CB VAL A 33 -1.063 0.479 -1.766 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.283 0.671 -0.475 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.300 1.812 -2.459 1.00 0.00 C ATOM 0 H VAL A 33 -1.948 -0.205 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 33 0.656 -0.077 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.032 0.048 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.821 1.360 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.169 -0.290 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.701 1.081 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.824 2.486 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.343 2.252 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.903 1.655 -3.353 1.00 0.00 H new ATOM 472 N VAL A 34 -1.255 -2.469 -1.657 1.00 0.00 N ATOM 473 CA VAL A 34 -1.220 -3.758 -0.975 1.00 0.00 C ATOM 474 C VAL A 34 -0.137 -4.658 -1.559 1.00 0.00 C ATOM 475 O VAL A 34 0.634 -5.275 -0.823 1.00 0.00 O ATOM 476 CB VAL A 34 -2.578 -4.479 -1.068 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.518 -5.823 -0.357 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.683 -3.609 -0.489 1.00 0.00 C ATOM 0 H VAL A 34 -2.194 -2.116 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.996 -3.557 0.073 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.803 -4.660 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.486 -6.318 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.754 -6.446 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.271 -5.668 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.636 -4.134 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.467 -3.395 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.740 -2.674 -1.046 1.00 0.00 H new ATOM 488 N ILE A 35 -0.086 -4.730 -2.885 1.00 0.00 N ATOM 489 CA ILE A 35 0.904 -5.554 -3.567 1.00 0.00 C ATOM 490 C ILE A 35 2.318 -5.197 -3.122 1.00 0.00 C ATOM 491 O ILE A 35 3.127 -6.077 -2.828 1.00 0.00 O ATOM 492 CB ILE A 35 0.805 -5.402 -5.096 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.542 -5.925 -5.598 1.00 0.00 C ATOM 494 CG2 ILE A 35 1.951 -6.135 -5.777 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.869 -5.497 -7.011 1.00 0.00 C ATOM 0 H ILE A 35 -0.719 -4.228 -3.508 1.00 0.00 H new ATOM 0 HA ILE A 35 0.692 -6.589 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 35 0.877 -4.343 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.541 -7.014 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.330 -5.576 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.867 -6.018 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.900 -5.719 -5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.908 -7.194 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.838 -5.904 -7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.903 -4.409 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.102 -5.869 -7.690 1.00 0.00 H new ATOM 507 N ALA A 36 2.607 -3.901 -3.072 1.00 0.00 N ATOM 508 CA ALA A 36 3.922 -3.428 -2.659 1.00 0.00 C ATOM 509 C ALA A 36 4.319 -4.017 -1.309 1.00 0.00 C ATOM 510 O ALA A 36 5.371 -4.644 -1.179 1.00 0.00 O ATOM 511 CB ALA A 36 3.941 -1.907 -2.599 1.00 0.00 C ATOM 0 H ALA A 36 1.948 -3.160 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 36 4.649 -3.761 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.929 -1.567 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.710 -1.501 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.197 -1.562 -1.881 1.00 0.00 H new ATOM 517 N LEU A 37 3.471 -3.810 -0.307 1.00 0.00 N ATOM 518 CA LEU A 37 3.733 -4.321 1.034 1.00 0.00 C ATOM 519 C LEU A 37 4.019 -5.819 1.000 1.00 0.00 C ATOM 520 O LEU A 37 5.043 -6.277 1.506 1.00 0.00 O ATOM 521 CB LEU A 37 2.542 -4.038 1.951 1.00 0.00 C ATOM 522 CG LEU A 37 2.525 -2.666 2.625 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.807 -2.442 3.413 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.333 -1.565 1.592 1.00 0.00 C ATOM 0 H LEU A 37 2.597 -3.292 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 37 4.613 -3.811 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.627 -4.146 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.517 -4.802 2.728 1.00 0.00 H new ATOM 0 HG LEU A 37 1.685 -2.635 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.777 -1.460 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.902 -3.211 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.662 -2.494 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.324 -0.596 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.151 -1.595 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.387 -1.715 1.072 1.00 0.00 H new ATOM 536 N ALA A 38 3.107 -6.576 0.399 1.00 0.00 N ATOM 537 CA ALA A 38 3.264 -8.022 0.296 1.00 0.00 C ATOM 538 C ALA A 38 4.605 -8.386 -0.331 1.00 0.00 C ATOM 539 O ALA A 38 5.362 -9.183 0.222 1.00 0.00 O ATOM 540 CB ALA A 38 2.122 -8.619 -0.513 1.00 0.00 C ATOM 0 H ALA A 38 2.253 -6.213 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 38 3.239 -8.438 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.251 -9.699 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.174 -8.398 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.122 -8.189 -1.514 1.00 0.00 H new ATOM 546 N GLN A 39 4.892 -7.797 -1.487 1.00 0.00 N ATOM 547 CA GLN A 39 6.143 -8.061 -2.189 1.00 0.00 C ATOM 548 C GLN A 39 7.342 -7.735 -1.305 1.00 0.00 C ATOM 549 O GLN A 39 8.400 -8.352 -1.426 1.00 0.00 O ATOM 550 CB GLN A 39 6.209 -7.245 -3.481 1.00 0.00 C ATOM 551 CG GLN A 39 5.300 -7.770 -4.580 1.00 0.00 C ATOM 552 CD GLN A 39 5.825 -7.464 -5.969 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.013 -7.630 -6.246 1.00 0.00 O ATOM 554 NE2 GLN A 39 4.940 -7.013 -6.850 1.00 0.00 N ATOM 0 H GLN A 39 4.276 -7.134 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 39 6.175 -9.122 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.941 -6.211 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.237 -7.237 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.187 -8.848 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.308 -7.332 -4.466 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.965 -6.891 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.235 -6.789 -7.800 1.00 0.00 H new ATOM 563 N ALA A 40 7.170 -6.761 -0.418 1.00 0.00 N ATOM 564 CA ALA A 40 8.237 -6.354 0.488 1.00 0.00 C ATOM 565 C ALA A 40 8.453 -7.392 1.584 1.00 0.00 C ATOM 566 O ALA A 40 9.575 -7.849 1.806 1.00 0.00 O ATOM 567 CB ALA A 40 7.923 -4.997 1.098 1.00 0.00 C ATOM 0 H ALA A 40 6.301 -6.239 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 40 9.159 -6.276 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.728 -4.706 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.828 -4.255 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.988 -5.056 1.654 1.00 0.00 H new ATOM 573 N ILE A 41 7.373 -7.759 2.265 1.00 0.00 N ATOM 574 CA ILE A 41 7.446 -8.744 3.338 1.00 0.00 C ATOM 575 C ILE A 41 7.775 -10.129 2.792 1.00 0.00 C ATOM 576 O ILE A 41 8.373 -10.953 3.482 1.00 0.00 O ATOM 577 CB ILE A 41 6.124 -8.816 4.126 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.969 -9.187 3.194 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.847 -7.490 4.819 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.645 -9.349 3.907 1.00 0.00 C ATOM 0 H ILE A 41 6.438 -7.390 2.093 1.00 0.00 H new ATOM 0 HA ILE A 41 8.243 -8.422 4.008 1.00 0.00 H new ATOM 0 HB ILE A 41 6.215 -9.590 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.869 -8.417 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.212 -10.117 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.910 -7.557 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.660 -7.263 5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.773 -6.698 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.872 -9.612 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.728 -10.139 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.379 -8.413 4.398 1.00 0.00 H new ATOM 592 N GLY A 42 7.383 -10.377 1.546 1.00 0.00 N ATOM 593 CA GLY A 42 7.647 -11.662 0.927 1.00 0.00 C ATOM 594 C GLY A 42 6.497 -12.635 1.098 1.00 0.00 C ATOM 595 O GLY A 42 6.621 -13.636 1.804 1.00 0.00 O ATOM 0 H GLY A 42 6.887 -9.710 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.841 -11.517 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.550 -12.092 1.360 1.00 0.00 H new ATOM 599 N ARG A 43 5.374 -12.341 0.451 1.00 0.00 N ATOM 600 CA ARG A 43 4.196 -13.196 0.537 1.00 0.00 C ATOM 601 C ARG A 43 3.373 -13.118 -0.745 1.00 0.00 C ATOM 602 O ARG A 43 3.112 -12.032 -1.265 1.00 0.00 O ATOM 603 CB ARG A 43 3.334 -12.793 1.735 1.00 0.00 C ATOM 604 CG ARG A 43 3.715 -13.500 3.025 1.00 0.00 C ATOM 605 CD ARG A 43 3.207 -14.933 3.046 1.00 0.00 C ATOM 606 NE ARG A 43 3.567 -15.623 4.282 1.00 0.00 N ATOM 607 CZ ARG A 43 2.983 -16.742 4.696 1.00 0.00 C ATOM 608 NH1 ARG A 43 2.016 -17.294 3.977 1.00 0.00 N ATOM 609 NH2 ARG A 43 3.366 -17.310 5.832 1.00 0.00 N ATOM 0 H ARG A 43 5.255 -11.517 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 43 4.533 -14.224 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.414 -11.716 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.289 -13.007 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.799 -13.496 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.304 -12.955 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.123 -14.935 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.618 -15.476 2.195 1.00 0.00 H new ATOM 0 HE ARG A 43 4.307 -15.224 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.719 -16.860 3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.569 -18.153 4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.109 -16.887 6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.917 -18.169 6.149 1.00 0.00 H new ATOM 623 N THR A 44 2.965 -14.277 -1.253 1.00 0.00 N ATOM 624 CA THR A 44 2.173 -14.341 -2.474 1.00 0.00 C ATOM 625 C THR A 44 0.759 -14.833 -2.188 1.00 0.00 C ATOM 626 O THR A 44 0.504 -16.036 -2.158 1.00 0.00 O ATOM 627 CB THR A 44 2.825 -15.267 -3.519 1.00 0.00 C ATOM 628 OG1 THR A 44 3.172 -16.518 -2.915 1.00 0.00 O ATOM 629 CG2 THR A 44 4.068 -14.622 -4.112 1.00 0.00 C ATOM 0 H THR A 44 3.171 -15.185 -0.836 1.00 0.00 H new ATOM 0 HA THR A 44 2.128 -13.328 -2.874 1.00 0.00 H new ATOM 0 HB THR A 44 2.106 -15.438 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.405 -16.861 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.511 -15.294 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.796 -13.684 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.789 -14.425 -3.319 1.00 0.00 H new ATOM 637 N GLY A 45 -0.159 -13.894 -1.978 1.00 0.00 N ATOM 638 CA GLY A 45 -1.536 -14.253 -1.697 1.00 0.00 C ATOM 639 C GLY A 45 -2.463 -13.054 -1.717 1.00 0.00 C ATOM 640 O GLY A 45 -2.059 -11.954 -2.096 1.00 0.00 O ATOM 0 H GLY A 45 0.027 -12.891 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.875 -14.983 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.591 -14.735 -0.721 1.00 0.00 H new ATOM 644 N ARG A 46 -3.710 -13.265 -1.309 1.00 0.00 N ATOM 645 CA ARG A 46 -4.698 -12.193 -1.283 1.00 0.00 C ATOM 646 C ARG A 46 -4.482 -11.283 -0.078 1.00 0.00 C ATOM 647 O ARG A 46 -4.048 -11.733 0.983 1.00 0.00 O ATOM 648 CB ARG A 46 -6.112 -12.774 -1.250 1.00 0.00 C ATOM 649 CG ARG A 46 -6.700 -13.027 -2.629 1.00 0.00 C ATOM 650 CD ARG A 46 -7.411 -11.795 -3.166 1.00 0.00 C ATOM 651 NE ARG A 46 -7.947 -12.013 -4.507 1.00 0.00 N ATOM 652 CZ ARG A 46 -7.206 -11.974 -5.609 1.00 0.00 C ATOM 653 NH1 ARG A 46 -5.906 -11.728 -5.529 1.00 0.00 N ATOM 654 NH2 ARG A 46 -7.766 -12.183 -6.794 1.00 0.00 N ATOM 0 H ARG A 46 -4.060 -14.169 -0.992 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.577 -11.600 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.098 -13.711 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.764 -12.090 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.906 -13.319 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.401 -13.860 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.222 -11.522 -2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.716 -10.955 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.944 -12.206 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.472 -11.568 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.339 -11.699 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.766 -12.374 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.196 -12.153 -7.640 1.00 0.00 H new ATOM 668 N TYR A 47 -4.787 -10.001 -0.248 1.00 0.00 N ATOM 669 CA TYR A 47 -4.623 -9.027 0.824 1.00 0.00 C ATOM 670 C TYR A 47 -5.487 -7.794 0.577 1.00 0.00 C ATOM 671 O TYR A 47 -5.687 -7.380 -0.566 1.00 0.00 O ATOM 672 CB TYR A 47 -3.155 -8.618 0.951 1.00 0.00 C ATOM 673 CG TYR A 47 -2.283 -9.679 1.584 1.00 0.00 C ATOM 674 CD1 TYR A 47 -2.166 -9.777 2.965 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.576 -10.583 0.801 1.00 0.00 C ATOM 676 CE1 TYR A 47 -1.370 -10.744 3.548 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.779 -11.555 1.375 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.679 -11.631 2.749 1.00 0.00 C ATOM 679 OH TYR A 47 0.115 -12.596 3.325 1.00 0.00 O ATOM 0 H TYR A 47 -5.149 -9.612 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.945 -9.493 1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.765 -8.383 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.091 -7.706 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.707 -9.085 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.651 -10.525 -0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.289 -10.805 4.623 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.237 -12.251 0.752 1.00 0.00 H new ATOM 0 HH TYR A 47 0.337 -13.278 2.657 1.00 0.00 H new ATOM 689 N THR A 48 -5.996 -7.209 1.657 1.00 0.00 N ATOM 690 CA THR A 48 -6.838 -6.024 1.559 1.00 0.00 C ATOM 691 C THR A 48 -6.537 -5.042 2.685 1.00 0.00 C ATOM 692 O THR A 48 -5.848 -5.378 3.649 1.00 0.00 O ATOM 693 CB THR A 48 -8.333 -6.392 1.600 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.122 -5.287 1.146 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.756 -6.780 3.009 1.00 0.00 C ATOM 0 H THR A 48 -5.839 -7.537 2.610 1.00 0.00 H new ATOM 0 HA THR A 48 -6.613 -5.555 0.601 1.00 0.00 H new ATOM 0 HB THR A 48 -8.493 -7.246 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.071 -5.530 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.816 -7.036 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.174 -7.640 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.582 -5.943 3.685 1.00 0.00 H new ATOM 703 N LEU A 49 -7.058 -3.826 2.559 1.00 0.00 N ATOM 704 CA LEU A 49 -6.846 -2.794 3.567 1.00 0.00 C ATOM 705 C LEU A 49 -8.094 -2.605 4.424 1.00 0.00 C ATOM 706 O LEU A 49 -9.216 -2.791 3.953 1.00 0.00 O ATOM 707 CB LEU A 49 -6.468 -1.471 2.899 1.00 0.00 C ATOM 708 CG LEU A 49 -5.116 -1.442 2.184 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.125 -0.410 1.068 1.00 0.00 C ATOM 710 CD2 LEU A 49 -3.996 -1.153 3.173 1.00 0.00 C ATOM 0 H LEU A 49 -7.631 -3.531 1.768 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.029 -3.115 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.244 -1.217 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.472 -0.689 3.659 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.939 -2.422 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.155 -0.403 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.902 -0.662 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.325 0.577 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.041 -1.136 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.168 -0.185 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.976 -1.930 3.937 1.00 0.00 H new ATOM 722 N ILE A 50 -7.889 -2.234 5.684 1.00 0.00 N ATOM 723 CA ILE A 50 -8.998 -2.017 6.605 1.00 0.00 C ATOM 724 C ILE A 50 -8.729 -0.825 7.517 1.00 0.00 C ATOM 725 O ILE A 50 -7.760 -0.818 8.276 1.00 0.00 O ATOM 726 CB ILE A 50 -9.262 -3.263 7.472 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.463 -4.494 6.586 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.475 -3.041 8.362 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.227 -5.803 7.307 1.00 0.00 C ATOM 0 H ILE A 50 -6.966 -2.078 6.090 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.879 -1.815 5.996 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.395 -3.435 8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.478 -4.485 6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.788 -4.432 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.649 -3.930 8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.296 -2.186 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.351 -2.848 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.387 -6.632 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.203 -5.834 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.920 -5.888 8.144 1.00 0.00 H new ATOM 741 N GLU A 51 -9.596 0.180 7.439 1.00 0.00 N ATOM 742 CA GLU A 51 -9.452 1.377 8.258 1.00 0.00 C ATOM 743 C GLU A 51 -10.205 1.227 9.577 1.00 0.00 C ATOM 744 O GLU A 51 -11.428 1.354 9.625 1.00 0.00 O ATOM 745 CB GLU A 51 -9.965 2.605 7.502 1.00 0.00 C ATOM 746 CG GLU A 51 -8.951 3.192 6.535 1.00 0.00 C ATOM 747 CD GLU A 51 -8.865 2.414 5.237 1.00 0.00 C ATOM 748 OE1 GLU A 51 -8.779 1.169 5.296 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.882 3.049 4.162 1.00 0.00 O ATOM 0 H GLU A 51 -10.405 0.189 6.817 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.393 1.511 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.865 2.332 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.253 3.371 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.218 4.226 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.970 3.210 7.009 1.00 0.00 H new ATOM 756 N LYS A 52 -9.464 0.956 10.647 1.00 0.00 N ATOM 757 CA LYS A 52 -10.059 0.789 11.967 1.00 0.00 C ATOM 758 C LYS A 52 -10.091 2.115 12.721 1.00 0.00 C ATOM 759 O LYS A 52 -9.068 2.576 13.228 1.00 0.00 O ATOM 760 CB LYS A 52 -9.276 -0.250 12.774 1.00 0.00 C ATOM 761 CG LYS A 52 -9.827 -0.476 14.171 1.00 0.00 C ATOM 762 CD LYS A 52 -8.847 -1.249 15.038 1.00 0.00 C ATOM 763 CE LYS A 52 -9.468 -1.635 16.372 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.455 -0.501 17.338 1.00 0.00 N ATOM 0 H LYS A 52 -8.450 0.847 10.625 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.084 0.441 11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.280 -1.196 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.236 0.069 12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.047 0.485 14.636 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.768 -1.022 14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.524 -2.148 14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.957 -0.644 15.211 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.495 -1.965 16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.924 -2.479 16.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.887 -0.804 18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.474 -0.202 17.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.996 0.296 16.945 1.00 0.00 H new ATOM 778 N TRP A 53 -11.271 2.720 12.793 1.00 0.00 N ATOM 779 CA TRP A 53 -11.436 3.992 13.487 1.00 0.00 C ATOM 780 C TRP A 53 -12.532 3.899 14.542 1.00 0.00 C ATOM 781 O TRP A 53 -13.602 3.343 14.291 1.00 0.00 O ATOM 782 CB TRP A 53 -11.765 5.103 12.488 1.00 0.00 C ATOM 783 CG TRP A 53 -11.916 6.451 13.126 1.00 0.00 C ATOM 784 CD1 TRP A 53 -10.912 7.278 13.540 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.143 7.125 13.424 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.441 8.427 14.078 1.00 0.00 N ATOM 787 CE2 TRP A 53 -12.808 8.357 14.018 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.493 6.809 13.246 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -13.773 9.270 14.434 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.450 7.715 13.659 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.087 8.935 14.247 1.00 0.00 C ATOM 0 H TRP A 53 -12.127 2.351 12.380 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.497 4.229 13.987 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.977 5.151 11.737 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.688 4.851 11.966 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.857 7.061 13.457 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.903 9.205 14.460 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.783 5.872 12.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.495 10.209 14.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.496 7.480 13.527 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.859 9.623 14.558 1.00 0.00 H new ATOM 802 N ARG A 54 -12.260 4.446 15.722 1.00 0.00 N ATOM 803 CA ARG A 54 -13.224 4.423 16.815 1.00 0.00 C ATOM 804 C ARG A 54 -13.931 3.072 16.888 1.00 0.00 C ATOM 805 O ARG A 54 -15.151 3.006 17.041 1.00 0.00 O ATOM 806 CB ARG A 54 -14.254 5.540 16.639 1.00 0.00 C ATOM 807 CG ARG A 54 -13.641 6.930 16.584 1.00 0.00 C ATOM 808 CD ARG A 54 -13.202 7.401 17.961 1.00 0.00 C ATOM 809 NE ARG A 54 -14.287 8.059 18.685 1.00 0.00 N ATOM 810 CZ ARG A 54 -14.743 9.270 18.384 1.00 0.00 C ATOM 811 NH1 ARG A 54 -14.212 9.950 17.377 1.00 0.00 N ATOM 812 NH2 ARG A 54 -15.733 9.802 19.089 1.00 0.00 N ATOM 0 H ARG A 54 -11.380 4.911 15.946 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.682 4.582 17.747 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.816 5.363 15.722 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.967 5.499 17.463 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.784 6.924 15.910 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.366 7.632 16.172 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.845 6.549 18.539 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.364 8.090 17.858 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.718 7.561 19.464 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.452 9.543 16.832 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.564 10.880 17.148 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.145 9.281 19.863 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.082 10.732 18.857 1.00 0.00 H new ATOM 826 N ASP A 55 -13.157 1.998 16.777 1.00 0.00 N ATOM 827 CA ASP A 55 -13.709 0.649 16.831 1.00 0.00 C ATOM 828 C ASP A 55 -14.627 0.390 15.641 1.00 0.00 C ATOM 829 O ASP A 55 -15.691 -0.213 15.783 1.00 0.00 O ATOM 830 CB ASP A 55 -14.475 0.441 18.138 1.00 0.00 C ATOM 831 CG ASP A 55 -14.670 -1.026 18.467 1.00 0.00 C ATOM 832 OD1 ASP A 55 -15.552 -1.660 17.850 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.942 -1.540 19.342 1.00 0.00 O ATOM 0 H ASP A 55 -12.146 2.035 16.649 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.881 -0.059 16.788 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.936 0.925 18.953 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.448 0.927 18.067 1.00 0.00 H new ATOM 838 N THR A 56 -14.209 0.850 14.466 1.00 0.00 N ATOM 839 CA THR A 56 -14.994 0.670 13.251 1.00 0.00 C ATOM 840 C THR A 56 -14.123 0.175 12.102 1.00 0.00 C ATOM 841 O THR A 56 -13.249 0.894 11.620 1.00 0.00 O ATOM 842 CB THR A 56 -15.684 1.981 12.829 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.508 2.466 13.895 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.531 1.770 11.583 1.00 0.00 C ATOM 0 H THR A 56 -13.331 1.350 14.330 1.00 0.00 H new ATOM 0 HA THR A 56 -15.755 -0.077 13.474 1.00 0.00 H new ATOM 0 HB THR A 56 -14.911 2.716 12.604 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.942 3.300 13.619 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.008 2.709 11.304 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.896 1.429 10.765 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.296 1.021 11.786 1.00 0.00 H new ATOM 852 N GLU A 57 -14.368 -1.057 11.669 1.00 0.00 N ATOM 853 CA GLU A 57 -13.605 -1.648 10.575 1.00 0.00 C ATOM 854 C GLU A 57 -14.426 -1.669 9.289 1.00 0.00 C ATOM 855 O GLU A 57 -15.624 -1.951 9.309 1.00 0.00 O ATOM 856 CB GLU A 57 -13.168 -3.069 10.938 1.00 0.00 C ATOM 857 CG GLU A 57 -12.158 -3.123 12.072 1.00 0.00 C ATOM 858 CD GLU A 57 -12.814 -3.114 13.439 1.00 0.00 C ATOM 859 OE1 GLU A 57 -13.251 -4.192 13.894 1.00 0.00 O ATOM 860 OE2 GLU A 57 -12.890 -2.030 14.053 1.00 0.00 O ATOM 0 H GLU A 57 -15.088 -1.665 12.058 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.719 -1.034 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.047 -3.650 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.738 -3.544 10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.551 -4.023 11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.482 -2.272 11.992 1.00 0.00 H new ATOM 867 N ARG A 58 -13.771 -1.369 8.172 1.00 0.00 N ATOM 868 CA ARG A 58 -14.439 -1.352 6.876 1.00 0.00 C ATOM 869 C ARG A 58 -13.469 -1.726 5.759 1.00 0.00 C ATOM 870 O ARG A 58 -12.391 -1.144 5.639 1.00 0.00 O ATOM 871 CB ARG A 58 -15.038 0.030 6.605 1.00 0.00 C ATOM 872 CG ARG A 58 -15.850 0.101 5.322 1.00 0.00 C ATOM 873 CD ARG A 58 -16.218 1.535 4.974 1.00 0.00 C ATOM 874 NE ARG A 58 -17.279 1.600 3.973 1.00 0.00 N ATOM 875 CZ ARG A 58 -17.731 2.737 3.455 1.00 0.00 C ATOM 876 NH1 ARG A 58 -17.218 3.896 3.842 1.00 0.00 N ATOM 877 NH2 ARG A 58 -18.700 2.715 2.548 1.00 0.00 N ATOM 0 H ARG A 58 -12.779 -1.135 8.138 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.241 -2.090 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.674 0.312 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.232 0.763 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.279 -0.338 4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.758 -0.492 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.538 2.056 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.336 2.055 4.601 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.696 0.725 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.474 3.917 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.567 4.767 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.098 1.825 2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.047 3.588 2.151 1.00 0.00 H new ATOM 891 N HIS A 59 -13.860 -2.701 4.945 1.00 0.00 N ATOM 892 CA HIS A 59 -13.025 -3.152 3.837 1.00 0.00 C ATOM 893 C HIS A 59 -13.222 -2.266 2.611 1.00 0.00 C ATOM 894 O HIS A 59 -14.340 -1.844 2.310 1.00 0.00 O ATOM 895 CB HIS A 59 -13.347 -4.606 3.488 1.00 0.00 C ATOM 896 CG HIS A 59 -13.004 -5.574 4.577 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.109 -6.610 4.409 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.439 -5.659 5.856 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.011 -7.291 5.537 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.807 -6.734 6.431 1.00 0.00 N ATOM 0 H HIS A 59 -14.749 -3.194 5.031 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.983 -3.083 4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.410 -4.689 3.261 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.805 -4.882 2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.151 -5.003 6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.386 -8.156 5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.932 -7.051 7.392 1.00 0.00 H new ATOM 909 N LEU A 60 -12.131 -1.987 1.907 1.00 0.00 N ATOM 910 CA LEU A 60 -12.184 -1.150 0.714 1.00 0.00 C ATOM 911 C LEU A 60 -12.166 -2.002 -0.551 1.00 0.00 C ATOM 912 O LEU A 60 -11.649 -3.119 -0.551 1.00 0.00 O ATOM 913 CB LEU A 60 -11.007 -0.173 0.700 1.00 0.00 C ATOM 914 CG LEU A 60 -11.041 0.935 1.753 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.669 0.383 3.120 1.00 0.00 C ATOM 916 CD2 LEU A 60 -10.108 2.072 1.363 1.00 0.00 C ATOM 0 H LEU A 60 -11.199 -2.328 2.142 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.117 -0.587 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.087 -0.742 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.958 0.291 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.056 1.328 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.698 1.186 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.377 -0.396 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.664 -0.037 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.146 2.851 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.089 1.694 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.420 2.486 0.404 1.00 0.00 H new ATOM 928 N ALA A 61 -12.734 -1.467 -1.627 1.00 0.00 N ATOM 929 CA ALA A 61 -12.780 -2.178 -2.899 1.00 0.00 C ATOM 930 C ALA A 61 -11.391 -2.279 -3.522 1.00 0.00 C ATOM 931 O ALA A 61 -10.544 -1.401 -3.355 1.00 0.00 O ATOM 932 CB ALA A 61 -13.740 -1.486 -3.855 1.00 0.00 C ATOM 0 H ALA A 61 -13.168 -0.544 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.139 -3.190 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.765 -2.027 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.739 -1.471 -3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.405 -0.464 -4.031 1.00 0.00 H new ATOM 938 N PRO A 62 -11.150 -3.374 -4.257 1.00 0.00 N ATOM 939 CA PRO A 62 -9.865 -3.616 -4.919 1.00 0.00 C ATOM 940 C PRO A 62 -9.625 -2.662 -6.084 1.00 0.00 C ATOM 941 O PRO A 62 -8.534 -2.625 -6.655 1.00 0.00 O ATOM 942 CB PRO A 62 -9.991 -5.055 -5.424 1.00 0.00 C ATOM 943 CG PRO A 62 -11.456 -5.276 -5.579 1.00 0.00 C ATOM 944 CD PRO A 62 -12.114 -4.461 -4.499 1.00 0.00 C ATOM 0 HA PRO A 62 -9.023 -3.459 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.468 -5.189 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.557 -5.762 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.796 -4.963 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.704 -6.332 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.082 -4.076 -4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.288 -5.052 -3.600 1.00 0.00 H new ATOM 952 N HIS A 63 -10.650 -1.891 -6.433 1.00 0.00 N ATOM 953 CA HIS A 63 -10.549 -0.935 -7.530 1.00 0.00 C ATOM 954 C HIS A 63 -10.636 0.498 -7.012 1.00 0.00 C ATOM 955 O HIS A 63 -10.545 1.452 -7.784 1.00 0.00 O ATOM 956 CB HIS A 63 -11.655 -1.186 -8.556 1.00 0.00 C ATOM 957 CG HIS A 63 -13.006 -1.388 -7.943 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.836 -0.344 -7.592 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.672 -2.521 -7.621 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.954 -0.827 -7.079 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.880 -2.146 -7.086 1.00 0.00 N ATOM 0 H HIS A 63 -11.560 -1.910 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.580 -1.071 -8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.700 -0.341 -9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.398 -2.065 -9.147 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.319 -3.532 -7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.787 -0.243 -6.716 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.602 -2.782 -6.749 1.00 0.00 H new ATOM 970 N GLU A 64 -10.813 0.639 -5.702 1.00 0.00 N ATOM 971 CA GLU A 64 -10.913 1.955 -5.083 1.00 0.00 C ATOM 972 C GLU A 64 -9.553 2.421 -4.571 1.00 0.00 C ATOM 973 O GLU A 64 -8.716 1.610 -4.178 1.00 0.00 O ATOM 974 CB GLU A 64 -11.921 1.927 -3.933 1.00 0.00 C ATOM 975 CG GLU A 64 -13.361 1.760 -4.389 1.00 0.00 C ATOM 976 CD GLU A 64 -13.935 3.030 -4.985 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.162 3.807 -5.584 1.00 0.00 O ATOM 978 OE2 GLU A 64 -15.158 3.247 -4.854 1.00 0.00 O ATOM 0 H GLU A 64 -10.890 -0.141 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.257 2.659 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.666 1.111 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.834 2.852 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.414 0.960 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.973 1.452 -3.541 1.00 0.00 H new ATOM 985 N ASN A 65 -9.342 3.733 -4.580 1.00 0.00 N ATOM 986 CA ASN A 65 -8.083 4.307 -4.117 1.00 0.00 C ATOM 987 C ASN A 65 -8.141 4.611 -2.623 1.00 0.00 C ATOM 988 O ASN A 65 -9.173 5.011 -2.085 1.00 0.00 O ATOM 989 CB ASN A 65 -7.765 5.584 -4.897 1.00 0.00 C ATOM 990 CG ASN A 65 -7.989 5.423 -6.388 1.00 0.00 C ATOM 991 OD1 ASN A 65 -9.076 5.698 -6.897 1.00 0.00 O ATOM 992 ND2 ASN A 65 -6.959 4.974 -7.096 1.00 0.00 N ATOM 0 H ASN A 65 -10.025 4.418 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.293 3.577 -4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.387 6.398 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.728 5.868 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.050 4.844 -8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.076 4.759 -6.632 1.00 0.00 H new ATOM 999 N PRO A 66 -7.005 4.418 -1.936 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.899 4.666 -0.495 1.00 0.00 C ATOM 1001 C PRO A 66 -6.967 6.152 -0.157 1.00 0.00 C ATOM 1002 O PRO A 66 -7.745 6.567 0.702 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.524 4.099 -0.137 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.744 4.166 -1.405 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.736 3.943 -2.513 1.00 0.00 C ATOM 0 HA PRO A 66 -7.720 4.210 0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.048 4.682 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.601 3.074 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.252 5.133 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.962 3.407 -1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.469 4.501 -3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.792 2.892 -2.797 1.00 0.00 H new ATOM 1013 N ILE A 67 -6.148 6.947 -0.837 1.00 0.00 N ATOM 1014 CA ILE A 67 -6.118 8.386 -0.608 1.00 0.00 C ATOM 1015 C ILE A 67 -7.507 8.997 -0.760 1.00 0.00 C ATOM 1016 O ILE A 67 -7.945 9.783 0.080 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.151 9.090 -1.579 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.729 8.558 -1.392 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -5.192 10.596 -1.369 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.716 9.206 -2.310 1.00 0.00 C ATOM 0 H ILE A 67 -5.497 6.619 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.768 8.535 0.413 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.466 8.877 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.424 8.716 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.727 7.482 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.503 11.079 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.203 10.961 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.899 10.829 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.730 8.780 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.997 9.026 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.689 10.279 -2.123 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.195 8.629 -1.835 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.535 9.138 -2.095 1.00 0.00 C ATOM 1034 C ILE A 68 -10.501 8.733 -0.987 1.00 0.00 C ATOM 1035 O ILE A 68 -11.165 9.579 -0.388 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.078 8.631 -3.445 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.052 8.870 -4.554 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.395 9.317 -3.777 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.723 10.331 -4.768 1.00 0.00 C ATOM 0 H ILE A 68 -7.846 7.980 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.459 10.225 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.259 7.559 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.136 8.331 -4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.432 8.451 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.766 8.949 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.125 9.101 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.239 10.394 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.989 10.425 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.629 10.872 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.313 10.750 -3.849 1.00 0.00 H new ATOM 1051 N SER A 69 -10.574 7.433 -0.718 1.00 0.00 N ATOM 1052 CA SER A 69 -11.460 6.915 0.318 1.00 0.00 C ATOM 1053 C SER A 69 -11.169 7.575 1.662 1.00 0.00 C ATOM 1054 O SER A 69 -12.084 7.902 2.418 1.00 0.00 O ATOM 1055 CB SER A 69 -11.307 5.398 0.437 1.00 0.00 C ATOM 1056 OG SER A 69 -12.449 4.816 1.043 1.00 0.00 O ATOM 0 H SER A 69 -10.030 6.719 -1.203 1.00 0.00 H new ATOM 0 HA SER A 69 -12.486 7.148 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.156 4.966 -0.552 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.420 5.164 1.026 1.00 0.00 H new ATOM 0 HG SER A 69 -12.327 3.846 1.106 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.887 7.767 1.954 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.472 8.388 3.207 1.00 0.00 C ATOM 1064 C LEU A 70 -9.856 9.864 3.237 1.00 0.00 C ATOM 1065 O LEU A 70 -10.366 10.362 4.239 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.962 8.237 3.399 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.463 8.257 4.844 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.852 6.974 5.561 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -5.955 8.457 4.885 1.00 0.00 C ATOM 0 H LEU A 70 -9.117 7.501 1.340 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.987 7.881 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.650 7.298 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.465 9.039 2.853 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.934 9.094 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.488 7.007 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.937 6.873 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.410 6.121 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.618 8.469 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.465 7.641 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.701 9.404 4.410 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.608 10.557 2.131 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.929 11.976 2.029 1.00 0.00 C ATOM 1083 C ASN A 71 -11.280 12.275 2.672 1.00 0.00 C ATOM 1084 O ASN A 71 -11.409 13.205 3.468 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.940 12.414 0.564 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.545 12.658 0.022 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.599 12.865 0.783 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -8.410 12.634 -1.299 1.00 0.00 N ATOM 0 H ASN A 71 -9.186 10.159 1.292 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.161 12.536 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.432 11.649 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.530 13.325 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.495 12.791 -1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.222 12.459 -1.891 1.00 0.00 H new ATOM 1095 N LYS A 72 -12.285 11.480 2.321 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.626 11.656 2.864 1.00 0.00 C ATOM 1097 C LYS A 72 -13.569 12.108 4.319 1.00 0.00 C ATOM 1098 O LYS A 72 -14.163 13.121 4.688 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.419 10.352 2.753 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.947 10.077 1.356 1.00 0.00 C ATOM 1101 CD LYS A 72 -16.293 10.744 1.127 1.00 0.00 C ATOM 1102 CE LYS A 72 -17.420 9.966 1.788 1.00 0.00 C ATOM 1103 NZ LYS A 72 -18.751 10.340 1.235 1.00 0.00 N ATOM 0 H LYS A 72 -12.196 10.707 1.662 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.128 12.429 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.783 9.523 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.257 10.386 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.231 10.438 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.043 9.001 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.269 11.759 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.483 10.824 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.255 8.898 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.408 10.151 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.492 9.788 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.920 11.354 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.772 10.140 0.215 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.851 11.351 5.141 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.716 11.675 6.557 1.00 0.00 C ATOM 1119 C TRP A 73 -12.351 13.143 6.747 1.00 0.00 C ATOM 1120 O TRP A 73 -13.048 13.880 7.443 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.655 10.784 7.205 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.942 9.320 7.067 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.176 8.392 6.421 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.077 8.617 7.585 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -11.767 7.154 6.506 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -12.933 7.265 7.216 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.199 8.997 8.326 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.870 6.295 7.563 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.128 8.033 8.669 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.959 6.695 8.288 1.00 0.00 C ATOM 0 H TRP A 73 -12.353 10.509 4.852 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.676 11.494 7.040 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.686 11.001 6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.579 11.034 8.263 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.243 8.600 5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.397 6.292 6.105 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.338 10.025 8.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.742 5.263 7.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.000 8.316 9.241 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.703 5.965 8.572 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.254 13.561 6.123 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.817 14.940 6.237 1.00 0.00 C ATOM 1143 C GLY A 74 -10.483 15.327 7.664 1.00 0.00 C ATOM 1144 O GLY A 74 -9.322 15.288 8.068 1.00 0.00 O ATOM 0 H GLY A 74 -10.661 12.970 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.940 15.093 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.599 15.598 5.859 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.504 15.703 8.428 1.00 0.00 N ATOM 1149 CA GLN A 75 -11.312 16.101 9.817 1.00 0.00 C ATOM 1150 C GLN A 75 -10.770 14.940 10.646 1.00 0.00 C ATOM 1151 O GLN A 75 -9.875 15.119 11.472 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.630 16.597 10.414 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.707 15.527 10.486 1.00 0.00 C ATOM 1154 CD GLN A 75 -15.108 16.106 10.445 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -15.294 17.318 10.548 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -16.102 15.239 10.295 1.00 0.00 N ATOM 0 H GLN A 75 -12.472 15.740 8.108 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.583 16.911 9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.443 16.980 11.417 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.998 17.431 9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.580 14.833 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.582 14.952 11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.901 14.242 10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.066 15.570 10.261 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.318 13.752 10.419 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.891 12.562 11.147 1.00 0.00 C ATOM 1167 C TYR A 76 -10.169 11.588 10.221 1.00 0.00 C ATOM 1168 O TYR A 76 -10.389 10.378 10.282 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.096 11.874 11.791 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.716 12.668 12.918 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -11.978 13.003 14.046 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -14.040 13.084 12.854 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.541 13.728 15.079 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -14.611 13.811 13.881 1.00 0.00 C ATOM 1175 CZ TYR A 76 -13.857 14.130 14.991 1.00 0.00 C ATOM 1176 OH TYR A 76 -14.423 14.853 16.017 1.00 0.00 O ATOM 0 H TYR A 76 -12.058 13.587 9.737 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.198 12.873 11.929 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.852 11.693 11.027 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.787 10.900 12.171 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.946 12.691 14.117 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.633 12.835 11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.954 13.978 15.950 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -15.641 14.128 13.815 1.00 0.00 H new ATOM 0 HH TYR A 76 -15.356 15.058 15.797 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.305 12.124 9.366 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.547 11.303 8.430 1.00 0.00 C ATOM 1188 C ALA A 77 -7.322 10.692 9.102 1.00 0.00 C ATOM 1189 O ALA A 77 -7.146 9.474 9.102 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.131 12.129 7.221 1.00 0.00 C ATOM 0 H ALA A 77 -9.112 13.124 9.302 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.190 10.488 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.566 11.504 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.019 12.513 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.510 12.963 7.547 1.00 0.00 H new ATOM 1196 N SER A 78 -6.479 11.546 9.673 1.00 0.00 N ATOM 1197 CA SER A 78 -5.268 11.089 10.345 1.00 0.00 C ATOM 1198 C SER A 78 -5.587 9.988 11.352 1.00 0.00 C ATOM 1199 O SER A 78 -4.950 8.935 11.359 1.00 0.00 O ATOM 1200 CB SER A 78 -4.580 12.259 11.052 1.00 0.00 C ATOM 1201 OG SER A 78 -3.243 11.934 11.392 1.00 0.00 O ATOM 0 H SER A 78 -6.612 12.557 9.684 1.00 0.00 H new ATOM 0 HA SER A 78 -4.595 10.682 9.590 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.591 13.136 10.405 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.135 12.520 11.953 1.00 0.00 H new ATOM 0 HG SER A 78 -2.825 12.698 11.841 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.577 10.241 12.201 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.983 9.272 13.212 1.00 0.00 C ATOM 1209 C ASP A 79 -7.135 7.882 12.603 1.00 0.00 C ATOM 1210 O ASP A 79 -6.798 6.877 13.230 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.298 9.703 13.863 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.124 10.894 14.786 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.405 11.840 14.403 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.706 10.878 15.891 1.00 0.00 O ATOM 0 H ASP A 79 -7.113 11.109 12.209 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.205 9.232 13.974 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.020 9.952 13.086 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.712 8.867 14.427 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.646 7.831 11.376 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.842 6.564 10.682 1.00 0.00 C ATOM 1221 C VAL A 80 -6.508 5.923 10.319 1.00 0.00 C ATOM 1222 O VAL A 80 -5.601 6.593 9.826 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.675 6.751 9.399 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.835 5.426 8.669 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.032 7.355 9.729 1.00 0.00 C ATOM 0 H VAL A 80 -7.931 8.652 10.843 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.382 5.909 11.366 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.147 7.440 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.426 5.577 7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.853 5.038 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.341 4.712 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.607 7.480 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.570 6.692 10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.892 8.326 10.205 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.395 4.622 10.567 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.170 3.891 10.267 1.00 0.00 C ATOM 1237 C GLN A 81 -5.455 2.705 9.351 1.00 0.00 C ATOM 1238 O GLN A 81 -6.489 2.046 9.474 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.511 3.406 11.559 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.113 4.532 12.499 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.255 4.053 13.654 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.037 3.928 13.526 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.888 3.783 14.789 1.00 0.00 N ATOM 0 H GLN A 81 -7.137 4.053 10.975 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.489 4.569 9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.197 2.736 12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.625 2.823 11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.569 5.293 11.939 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.012 5.007 12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.899 3.901 14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.363 3.457 15.601 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.533 2.438 8.433 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.685 1.331 7.495 1.00 0.00 C ATOM 1254 C LEU A 82 -4.167 0.030 8.100 1.00 0.00 C ATOM 1255 O LEU A 82 -3.266 0.040 8.940 1.00 0.00 O ATOM 1256 CB LEU A 82 -3.940 1.633 6.194 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.590 2.667 5.274 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -5.851 2.101 4.641 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -4.903 3.943 6.042 1.00 0.00 C ATOM 0 H LEU A 82 -3.672 2.973 8.318 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.747 1.213 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.937 1.978 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.827 0.702 5.639 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.886 2.909 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.299 2.851 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.599 1.217 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.560 1.829 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.365 4.667 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.588 3.717 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.981 4.360 6.446 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.741 -1.088 7.667 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.334 -2.396 8.163 1.00 0.00 C ATOM 1273 C ILE A 83 -4.307 -3.427 7.040 1.00 0.00 C ATOM 1274 O ILE A 83 -5.301 -3.624 6.339 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.275 -2.893 9.277 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.302 -1.894 10.436 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.840 -4.267 9.765 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.586 -1.927 11.233 1.00 0.00 C ATOM 0 H ILE A 83 -5.489 -1.113 6.974 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.330 -2.280 8.570 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.283 -2.976 8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.465 -2.101 11.103 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.155 -0.889 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.515 -4.604 10.552 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.868 -4.973 8.935 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.825 -4.209 10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.534 -1.193 12.037 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.426 -1.690 10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.725 -2.921 11.657 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.164 -4.083 6.873 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.007 -5.095 5.835 1.00 0.00 C ATOM 1292 C LEU A 84 -3.402 -6.474 6.355 1.00 0.00 C ATOM 1293 O LEU A 84 -2.591 -7.176 6.958 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.562 -5.121 5.334 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.364 -5.540 3.877 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.088 -4.583 2.943 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.118 -5.602 3.537 1.00 0.00 C ATOM 0 H LEU A 84 -2.332 -3.932 7.444 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.667 -4.836 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.135 -4.127 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.991 -5.800 5.967 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.789 -6.535 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.936 -4.897 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.154 -4.589 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.694 -3.576 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.240 -5.902 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.567 -4.620 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.610 -6.328 4.184 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.652 -6.855 6.115 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.154 -8.151 6.558 1.00 0.00 C ATOM 1311 C ARG A 85 -5.151 -9.156 5.411 1.00 0.00 C ATOM 1312 O ARG A 85 -5.094 -8.778 4.241 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.569 -8.007 7.121 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.604 -7.630 8.594 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.177 -8.793 9.476 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.264 -9.743 9.693 1.00 0.00 N ATOM 1317 CZ ARG A 85 -7.086 -10.963 10.188 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -5.870 -11.378 10.515 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -8.125 -11.771 10.356 1.00 0.00 N ATOM 0 H ARG A 85 -5.336 -6.285 5.617 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.494 -8.520 7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.103 -7.249 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.103 -8.947 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.946 -6.779 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.611 -7.316 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.333 -9.307 9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.832 -8.412 10.437 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.212 -9.454 9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.069 -10.760 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.736 -12.315 10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.062 -11.456 10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.987 -12.707 10.736 1.00 0.00 H new ATOM 1333 N ARG A 86 -5.212 -10.439 5.755 1.00 0.00 N ATOM 1334 CA ARG A 86 -5.214 -11.499 4.754 1.00 0.00 C ATOM 1335 C ARG A 86 -6.575 -12.186 4.694 1.00 0.00 C ATOM 1336 O ARG A 86 -7.063 -12.713 5.694 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.125 -12.527 5.067 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.144 -13.734 4.144 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.123 -14.777 4.569 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.237 -16.006 3.788 1.00 0.00 N ATOM 1341 CZ ARG A 86 -4.138 -16.951 4.032 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -4.999 -16.808 5.030 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -4.179 -18.041 3.276 1.00 0.00 N ATOM 0 H ARG A 86 -5.261 -10.769 6.719 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.010 -11.048 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.150 -12.044 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.242 -12.866 6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.140 -14.177 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.936 -13.415 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.119 -14.368 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.257 -15.006 5.626 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.589 -16.146 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.970 -15.971 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.690 -17.535 5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.518 -18.153 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.871 -18.766 3.464 1.00 0.00 H new ATOM 1357 N THR A 87 -7.185 -12.177 3.512 1.00 0.00 N ATOM 1358 CA THR A 87 -8.490 -12.797 3.321 1.00 0.00 C ATOM 1359 C THR A 87 -8.626 -13.368 1.914 1.00 0.00 C ATOM 1360 O THR A 87 -8.687 -12.626 0.935 1.00 0.00 O ATOM 1361 CB THR A 87 -9.631 -11.792 3.567 1.00 0.00 C ATOM 1362 OG1 THR A 87 -10.893 -12.469 3.548 1.00 0.00 O ATOM 1363 CG2 THR A 87 -9.623 -10.695 2.514 1.00 0.00 C ATOM 0 H THR A 87 -6.796 -11.747 2.673 1.00 0.00 H new ATOM 0 HA THR A 87 -8.565 -13.606 4.048 1.00 0.00 H new ATOM 0 HB THR A 87 -9.478 -11.336 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.613 -11.823 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.438 -9.998 2.709 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.673 -10.162 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.753 -11.138 1.526 1.00 0.00 H new ATOM 1371 N GLY A 88 -8.675 -14.694 1.821 1.00 0.00 N ATOM 1372 CA GLY A 88 -8.804 -15.342 0.529 1.00 0.00 C ATOM 1373 C GLY A 88 -8.170 -16.719 0.505 1.00 0.00 C ATOM 1374 O GLY A 88 -7.212 -16.997 1.226 1.00 0.00 O ATOM 0 H GLY A 88 -8.628 -15.330 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.860 -15.427 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.340 -14.718 -0.235 1.00 0.00 H new ATOM 1378 N PRO A 89 -8.711 -17.609 -0.340 1.00 0.00 N ATOM 1379 CA PRO A 89 -8.208 -18.980 -0.475 1.00 0.00 C ATOM 1380 C PRO A 89 -6.838 -19.032 -1.142 1.00 0.00 C ATOM 1381 O PRO A 89 -6.586 -18.328 -2.120 1.00 0.00 O ATOM 1382 CB PRO A 89 -9.259 -19.658 -1.357 1.00 0.00 C ATOM 1383 CG PRO A 89 -9.875 -18.547 -2.135 1.00 0.00 C ATOM 1384 CD PRO A 89 -9.855 -17.346 -1.230 1.00 0.00 C ATOM 0 HA PRO A 89 -8.070 -19.461 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.805 -20.398 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.003 -20.180 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.316 -18.355 -3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.894 -18.796 -2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.723 -16.421 -1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -10.785 -17.249 -0.671 1.00 0.00 H new ATOM 1392 N SER A 90 -5.956 -19.870 -0.608 1.00 0.00 N ATOM 1393 CA SER A 90 -4.610 -20.012 -1.150 1.00 0.00 C ATOM 1394 C SER A 90 -4.537 -21.183 -2.125 1.00 0.00 C ATOM 1395 O SER A 90 -4.649 -22.343 -1.728 1.00 0.00 O ATOM 1396 CB SER A 90 -3.600 -20.211 -0.019 1.00 0.00 C ATOM 1397 OG SER A 90 -2.270 -20.151 -0.505 1.00 0.00 O ATOM 0 H SER A 90 -6.149 -20.461 0.200 1.00 0.00 H new ATOM 0 HA SER A 90 -4.364 -19.097 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.747 -19.445 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.772 -21.175 0.461 1.00 0.00 H new ATOM 0 HG SER A 90 -1.644 -20.279 0.238 1.00 0.00 H new ATOM 1403 N GLY A 91 -4.348 -20.871 -3.403 1.00 0.00 N ATOM 1404 CA GLY A 91 -4.264 -21.907 -4.415 1.00 0.00 C ATOM 1405 C GLY A 91 -3.125 -22.875 -4.161 1.00 0.00 C ATOM 1406 O GLY A 91 -2.092 -22.516 -3.596 1.00 0.00 O ATOM 0 H GLY A 91 -4.252 -19.919 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.204 -22.457 -4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.133 -21.445 -5.393 1.00 0.00 H new ATOM 1410 N PRO A 92 -3.310 -24.136 -4.581 1.00 0.00 N ATOM 1411 CA PRO A 92 -2.301 -25.184 -4.405 1.00 0.00 C ATOM 1412 C PRO A 92 -1.077 -24.965 -5.287 1.00 0.00 C ATOM 1413 O PRO A 92 -1.201 -24.618 -6.462 1.00 0.00 O ATOM 1414 CB PRO A 92 -3.038 -26.460 -4.820 1.00 0.00 C ATOM 1415 CG PRO A 92 -4.105 -25.994 -5.751 1.00 0.00 C ATOM 1416 CD PRO A 92 -4.517 -24.634 -5.261 1.00 0.00 C ATOM 0 HA PRO A 92 -1.915 -25.211 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.365 -27.165 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.462 -26.971 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.735 -25.944 -6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.951 -26.682 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.812 -23.983 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.366 -24.692 -4.580 1.00 0.00 H new ATOM 1424 N SER A 93 0.105 -25.171 -4.714 1.00 0.00 N ATOM 1425 CA SER A 93 1.352 -24.993 -5.449 1.00 0.00 C ATOM 1426 C SER A 93 1.951 -26.341 -5.837 1.00 0.00 C ATOM 1427 O SER A 93 1.640 -27.368 -5.234 1.00 0.00 O ATOM 1428 CB SER A 93 2.354 -24.199 -4.608 1.00 0.00 C ATOM 1429 OG SER A 93 2.141 -22.805 -4.743 1.00 0.00 O ATOM 0 H SER A 93 0.225 -25.461 -3.744 1.00 0.00 H new ATOM 0 HA SER A 93 1.132 -24.437 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.261 -24.485 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.370 -24.447 -4.917 1.00 0.00 H new ATOM 0 HG SER A 93 2.793 -22.320 -4.195 1.00 0.00 H new ATOM 1435 N SER A 94 2.813 -26.328 -6.849 1.00 0.00 N ATOM 1436 CA SER A 94 3.454 -27.550 -7.322 1.00 0.00 C ATOM 1437 C SER A 94 4.663 -27.898 -6.458 1.00 0.00 C ATOM 1438 O SER A 94 5.787 -27.494 -6.752 1.00 0.00 O ATOM 1439 CB SER A 94 3.885 -27.393 -8.782 1.00 0.00 C ATOM 1440 OG SER A 94 4.903 -26.417 -8.911 1.00 0.00 O ATOM 0 H SER A 94 3.083 -25.486 -7.357 1.00 0.00 H new ATOM 0 HA SER A 94 2.731 -28.362 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.243 -28.349 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.026 -27.109 -9.390 1.00 0.00 H new ATOM 0 HG SER A 94 5.653 -26.647 -8.324 1.00 0.00 H new ATOM 1446 N GLY A 95 4.421 -28.653 -5.390 1.00 0.00 N ATOM 1447 CA GLY A 95 5.498 -29.044 -4.500 1.00 0.00 C ATOM 1448 C GLY A 95 5.196 -28.724 -3.049 1.00 0.00 C ATOM 1449 O GLY A 95 5.651 -29.423 -2.144 1.00 0.00 O ATOM 0 H GLY A 95 3.499 -29.000 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.680 -30.114 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.415 -28.535 -4.798 1.00 0.00 H new TER 1453 GLY A 95