USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 743 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 23 SER OG : rot 180:sc= -0.288 USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.2 (180deg=-0.809) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -90:sc= 0.824 USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= -1.09 (180deg=-1.19) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0779 K(o=-0.078,f=-2.1!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.986 USER MOD Single : A 38 ASN : amide:sc= -0.265 K(o=-0.27,f=-0.87) USER MOD Single : A 44 GLN : amide:sc= -0.667 K(o=-0.67,f=-1.9!) USER MOD Single : A 47 MET CE :methyl 155:sc= -0.0511 (180deg=-2.26) USER MOD Single : A 48 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.78) USER MOD Single : A 51 MET CE :methyl -153:sc= 0 (180deg=-0.136) USER MOD Single : A 60 SER OG : rot -92:sc= 0.784 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 63 SER OG : rot -27:sc= 0.345 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0656 K(o=-0.066,f=-1.7!) USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.0421 USER MOD Single : A 76 GLN : amide:sc= -2.94! C(o=-2.9!,f=-5.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -3.67! C(o=-3.7!,f=-6.8!) USER MOD Single : A 86 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-0.92) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 89 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-3!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.335 -16.664 24.262 1.00 0.00 N ATOM 2 CA MET A 1 -6.778 -17.491 23.154 1.00 0.00 C ATOM 3 C MET A 1 -6.387 -16.577 21.996 1.00 0.00 C ATOM 4 O MET A 1 -7.046 -15.570 21.736 1.00 0.00 O ATOM 5 CB MET A 1 -7.831 -18.506 22.694 1.00 0.00 C ATOM 6 CG MET A 1 -9.216 -17.853 22.707 1.00 0.00 C ATOM 7 SD MET A 1 -10.439 -19.018 22.057 1.00 0.00 S ATOM 8 CE MET A 1 -11.884 -17.941 22.227 1.00 0.00 C ATOM 0 H1 MET A 1 -7.903 -17.265 24.893 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.556 -16.236 24.801 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.936 -15.913 23.866 1.00 0.00 H new ATOM 0 HA MET A 1 -5.896 -18.030 23.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.595 -18.861 21.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.822 -19.376 23.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.482 -17.559 23.722 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.207 -16.945 22.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.773 -18.467 21.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.013 -17.667 23.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.738 -17.040 21.632 1.00 0.00 H new ATOM 20 N GLY A 2 -5.311 -16.936 21.303 1.00 0.00 N ATOM 21 CA GLY A 2 -4.842 -16.144 20.173 1.00 0.00 C ATOM 22 C GLY A 2 -3.669 -16.830 19.481 1.00 0.00 C ATOM 23 O GLY A 2 -2.749 -17.319 20.136 1.00 0.00 O ATOM 0 H GLY A 2 -4.751 -17.765 21.503 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.655 -15.999 19.462 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.539 -15.155 20.517 1.00 0.00 H new ATOM 27 N VAL A 3 -3.708 -16.860 18.153 1.00 0.00 N ATOM 28 CA VAL A 3 -2.641 -17.488 17.380 1.00 0.00 C ATOM 29 C VAL A 3 -1.328 -16.738 17.574 1.00 0.00 C ATOM 30 O VAL A 3 -0.251 -17.334 17.578 1.00 0.00 O ATOM 31 CB VAL A 3 -3.008 -17.502 15.896 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.172 -16.066 15.392 1.00 0.00 C ATOM 33 CG2 VAL A 3 -1.895 -18.192 15.106 1.00 0.00 C ATOM 0 H VAL A 3 -4.461 -16.460 17.592 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.518 -18.512 17.732 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.945 -18.042 15.760 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.434 -16.079 14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.963 -15.571 15.955 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.236 -15.524 15.528 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.154 -18.204 14.047 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.960 -17.649 15.245 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.777 -19.215 15.462 1.00 0.00 H new ATOM 43 N TRP A 4 -1.431 -15.425 17.732 1.00 0.00 N ATOM 44 CA TRP A 4 -0.256 -14.584 17.926 1.00 0.00 C ATOM 45 C TRP A 4 0.256 -14.707 19.359 1.00 0.00 C ATOM 46 O TRP A 4 -0.513 -14.620 20.315 1.00 0.00 O ATOM 47 CB TRP A 4 -0.607 -13.114 17.615 1.00 0.00 C ATOM 48 CG TRP A 4 -2.050 -12.876 17.922 1.00 0.00 C ATOM 49 CD1 TRP A 4 -2.560 -12.707 19.161 1.00 0.00 C ATOM 50 CD2 TRP A 4 -3.172 -12.791 17.000 1.00 0.00 C ATOM 51 NE1 TRP A 4 -3.926 -12.521 19.060 1.00 0.00 N ATOM 52 CE2 TRP A 4 -4.351 -12.562 17.747 1.00 0.00 C ATOM 53 CE3 TRP A 4 -3.282 -12.883 15.601 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -5.596 -12.436 17.129 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -4.531 -12.756 14.975 1.00 0.00 C ATOM 56 CH2 TRP A 4 -5.686 -12.531 15.738 1.00 0.00 C ATOM 0 H TRP A 4 -2.316 -14.919 17.730 1.00 0.00 H new ATOM 0 HA TRP A 4 0.529 -14.916 17.247 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.018 -12.446 18.207 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.405 -12.894 16.567 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -1.993 -12.716 20.080 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.544 -12.372 19.858 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.398 -13.053 15.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.483 -12.266 17.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.603 -12.832 13.900 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.645 -12.431 15.251 1.00 0.00 H new ATOM 67 N THR A 5 1.568 -14.878 19.494 1.00 0.00 N ATOM 68 CA THR A 5 2.196 -14.977 20.801 1.00 0.00 C ATOM 69 C THR A 5 3.600 -14.373 20.762 1.00 0.00 C ATOM 70 O THR A 5 4.565 -15.010 21.188 1.00 0.00 O ATOM 71 CB THR A 5 2.266 -16.441 21.238 1.00 0.00 C ATOM 72 OG1 THR A 5 2.740 -17.230 20.158 1.00 0.00 O ATOM 73 CG2 THR A 5 0.870 -16.916 21.648 1.00 0.00 C ATOM 0 H THR A 5 2.216 -14.951 18.709 1.00 0.00 H new ATOM 0 HA THR A 5 1.596 -14.420 21.521 1.00 0.00 H new ATOM 0 HB THR A 5 2.945 -16.540 22.085 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.788 -18.169 20.435 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.918 -17.959 21.960 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.507 -16.306 22.475 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.190 -16.821 20.801 1.00 0.00 H new ATOM 81 N PRO A 6 3.726 -13.154 20.279 1.00 0.00 N ATOM 82 CA PRO A 6 5.033 -12.432 20.213 1.00 0.00 C ATOM 83 C PRO A 6 5.791 -12.530 21.529 1.00 0.00 C ATOM 84 O PRO A 6 5.352 -13.212 22.453 1.00 0.00 O ATOM 85 CB PRO A 6 4.628 -10.977 19.932 1.00 0.00 C ATOM 86 CG PRO A 6 3.339 -11.075 19.193 1.00 0.00 C ATOM 87 CD PRO A 6 2.632 -12.326 19.727 1.00 0.00 C ATOM 0 HA PRO A 6 5.699 -12.848 19.457 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.511 -10.413 20.858 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.385 -10.463 19.340 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.730 -10.185 19.354 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.511 -11.154 18.120 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.899 -12.073 20.493 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.097 -12.850 18.935 1.00 0.00 H new ATOM 95 N GLU A 7 6.931 -11.843 21.608 1.00 0.00 N ATOM 96 CA GLU A 7 7.742 -11.848 22.828 1.00 0.00 C ATOM 97 C GLU A 7 6.853 -11.794 24.070 1.00 0.00 C ATOM 98 O GLU A 7 7.285 -12.140 25.169 1.00 0.00 O ATOM 99 CB GLU A 7 8.692 -10.649 22.828 1.00 0.00 C ATOM 100 CG GLU A 7 9.745 -10.824 21.732 1.00 0.00 C ATOM 101 CD GLU A 7 10.684 -11.974 22.083 1.00 0.00 C ATOM 102 OE1 GLU A 7 10.619 -12.444 23.208 1.00 0.00 O ATOM 103 OE2 GLU A 7 11.468 -12.356 21.231 1.00 0.00 O ATOM 0 H GLU A 7 7.313 -11.280 20.848 1.00 0.00 H new ATOM 0 HA GLU A 7 8.320 -12.772 22.851 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.131 -9.729 22.663 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.177 -10.557 23.800 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.258 -11.021 20.777 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.315 -9.902 21.614 1.00 0.00 H new ATOM 110 N VAL A 8 5.602 -11.378 23.879 1.00 0.00 N ATOM 111 CA VAL A 8 4.652 -11.307 24.978 1.00 0.00 C ATOM 112 C VAL A 8 4.727 -12.578 25.812 1.00 0.00 C ATOM 113 O VAL A 8 4.703 -12.529 27.041 1.00 0.00 O ATOM 114 CB VAL A 8 3.229 -11.153 24.426 1.00 0.00 C ATOM 115 CG1 VAL A 8 2.224 -11.194 25.582 1.00 0.00 C ATOM 116 CG2 VAL A 8 3.107 -9.820 23.691 1.00 0.00 C ATOM 0 H VAL A 8 5.228 -11.087 22.976 1.00 0.00 H new ATOM 0 HA VAL A 8 4.899 -10.447 25.601 1.00 0.00 H new ATOM 0 HB VAL A 8 3.019 -11.969 23.734 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.213 -11.085 25.189 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.309 -12.147 26.105 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.434 -10.380 26.276 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.096 -9.712 23.299 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.318 -9.003 24.381 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.820 -9.792 22.867 1.00 0.00 H new ATOM 126 N LEU A 9 4.807 -13.719 25.137 1.00 0.00 N ATOM 127 CA LEU A 9 4.874 -14.990 25.843 1.00 0.00 C ATOM 128 C LEU A 9 6.122 -15.023 26.719 1.00 0.00 C ATOM 129 O LEU A 9 6.065 -15.397 27.889 1.00 0.00 O ATOM 130 CB LEU A 9 4.912 -16.150 24.827 1.00 0.00 C ATOM 131 CG LEU A 9 4.261 -17.415 25.424 1.00 0.00 C ATOM 132 CD1 LEU A 9 4.929 -17.761 26.765 1.00 0.00 C ATOM 133 CD2 LEU A 9 2.739 -17.187 25.626 1.00 0.00 C ATOM 0 H LEU A 9 4.827 -13.790 24.120 1.00 0.00 H new ATOM 0 HA LEU A 9 3.992 -15.100 26.473 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.388 -15.860 23.916 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.944 -16.363 24.548 1.00 0.00 H new ATOM 0 HG LEU A 9 4.400 -18.247 24.734 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.466 -18.655 27.182 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.992 -17.944 26.606 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.804 -16.930 27.459 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.289 -18.086 26.048 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.584 -16.350 26.307 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.274 -16.965 24.666 1.00 0.00 H new ATOM 145 N LYS A 10 7.244 -14.613 26.145 1.00 0.00 N ATOM 146 CA LYS A 10 8.493 -14.591 26.886 1.00 0.00 C ATOM 147 C LYS A 10 8.385 -13.616 28.047 1.00 0.00 C ATOM 148 O LYS A 10 8.950 -13.842 29.117 1.00 0.00 O ATOM 149 CB LYS A 10 9.638 -14.177 25.967 1.00 0.00 C ATOM 150 CG LYS A 10 10.970 -14.279 26.720 1.00 0.00 C ATOM 151 CD LYS A 10 12.115 -13.818 25.811 1.00 0.00 C ATOM 152 CE LYS A 10 12.437 -14.888 24.759 1.00 0.00 C ATOM 153 NZ LYS A 10 13.753 -14.575 24.133 1.00 0.00 N ATOM 0 H LYS A 10 7.314 -14.294 25.179 1.00 0.00 H new ATOM 0 HA LYS A 10 8.694 -15.590 27.274 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.658 -14.817 25.085 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.485 -13.156 25.617 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.938 -13.665 27.620 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.139 -15.307 27.041 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.841 -12.886 25.317 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.002 -13.612 26.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.466 -15.874 25.222 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.656 -14.915 23.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.978 -15.296 23.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.708 -13.640 23.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.493 -14.569 24.864 1.00 0.00 H new ATOM 167 N ALA A 11 7.658 -12.528 27.823 1.00 0.00 N ATOM 168 CA ALA A 11 7.483 -11.521 28.859 1.00 0.00 C ATOM 169 C ALA A 11 6.991 -12.183 30.140 1.00 0.00 C ATOM 170 O ALA A 11 7.537 -11.956 31.218 1.00 0.00 O ATOM 171 CB ALA A 11 6.475 -10.462 28.399 1.00 0.00 C ATOM 0 H ALA A 11 7.185 -12.323 26.943 1.00 0.00 H new ATOM 0 HA ALA A 11 8.441 -11.036 29.050 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.351 -9.713 29.181 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.841 -9.982 27.492 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.515 -10.937 28.196 1.00 0.00 H new ATOM 177 N ARG A 12 5.965 -13.014 30.011 1.00 0.00 N ATOM 178 CA ARG A 12 5.419 -13.716 31.164 1.00 0.00 C ATOM 179 C ARG A 12 6.437 -14.718 31.695 1.00 0.00 C ATOM 180 O ARG A 12 6.633 -14.845 32.903 1.00 0.00 O ATOM 181 CB ARG A 12 4.129 -14.439 30.770 1.00 0.00 C ATOM 182 CG ARG A 12 3.518 -15.141 31.992 1.00 0.00 C ATOM 183 CD ARG A 12 3.139 -14.112 33.068 1.00 0.00 C ATOM 184 NE ARG A 12 2.039 -14.621 33.876 1.00 0.00 N ATOM 185 CZ ARG A 12 2.253 -15.484 34.862 1.00 0.00 C ATOM 186 NH1 ARG A 12 3.464 -15.898 35.116 1.00 0.00 N ATOM 187 NH2 ARG A 12 1.249 -15.918 35.572 1.00 0.00 N ATOM 0 H ARG A 12 5.498 -13.217 29.127 1.00 0.00 H new ATOM 0 HA ARG A 12 5.195 -12.992 31.947 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.416 -13.726 30.357 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.338 -15.170 29.989 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.635 -15.704 31.692 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.230 -15.858 32.401 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.000 -13.902 33.702 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.852 -13.171 32.599 1.00 0.00 H new ATOM 0 HE ARG A 12 1.088 -14.309 33.681 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.247 -15.559 34.557 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.628 -16.561 35.874 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.303 -15.594 35.369 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.409 -16.581 36.330 1.00 0.00 H new ATOM 201 N ALA A 13 7.083 -15.424 30.775 1.00 0.00 N ATOM 202 CA ALA A 13 8.086 -16.415 31.140 1.00 0.00 C ATOM 203 C ALA A 13 9.374 -15.725 31.568 1.00 0.00 C ATOM 204 O ALA A 13 10.352 -16.379 31.929 1.00 0.00 O ATOM 205 CB ALA A 13 8.362 -17.352 29.961 1.00 0.00 C ATOM 0 H ALA A 13 6.930 -15.328 29.771 1.00 0.00 H new ATOM 0 HA ALA A 13 7.705 -17.004 31.975 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.114 -18.087 30.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.442 -17.864 29.680 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.727 -16.772 29.113 1.00 0.00 H new ATOM 211 N SER A 14 9.367 -14.397 31.512 1.00 0.00 N ATOM 212 CA SER A 14 10.542 -13.618 31.883 1.00 0.00 C ATOM 213 C SER A 14 10.820 -13.764 33.372 1.00 0.00 C ATOM 214 O SER A 14 11.894 -13.404 33.855 1.00 0.00 O ATOM 215 CB SER A 14 10.313 -12.143 31.557 1.00 0.00 C ATOM 216 OG SER A 14 9.452 -11.571 32.535 1.00 0.00 O ATOM 0 H SER A 14 8.565 -13.841 31.215 1.00 0.00 H new ATOM 0 HA SER A 14 11.397 -13.989 31.318 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.264 -11.611 31.538 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.872 -12.043 30.565 1.00 0.00 H new ATOM 0 HG SER A 14 8.521 -11.663 32.245 1.00 0.00 H new ATOM 222 N VAL A 15 9.845 -14.302 34.091 1.00 0.00 N ATOM 223 CA VAL A 15 9.988 -14.501 35.528 1.00 0.00 C ATOM 224 C VAL A 15 11.167 -15.428 35.824 1.00 0.00 C ATOM 225 O VAL A 15 11.794 -15.330 36.879 1.00 0.00 O ATOM 226 CB VAL A 15 8.705 -15.108 36.106 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.533 -14.151 35.875 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.414 -16.450 35.423 1.00 0.00 C ATOM 0 H VAL A 15 8.951 -14.607 33.707 1.00 0.00 H new ATOM 0 HA VAL A 15 10.172 -13.532 35.992 1.00 0.00 H new ATOM 0 HB VAL A 15 8.835 -15.269 37.176 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.622 -14.585 36.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.737 -13.200 36.368 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.404 -13.985 34.805 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.501 -16.878 35.837 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.288 -16.293 34.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.246 -17.133 35.595 1.00 0.00 H new ATOM 238 N ILE A 16 11.458 -16.326 34.883 1.00 0.00 N ATOM 239 CA ILE A 16 12.562 -17.274 35.039 1.00 0.00 C ATOM 240 C ILE A 16 13.302 -17.454 33.719 1.00 0.00 C ATOM 241 O ILE A 16 12.819 -18.127 32.810 1.00 0.00 O ATOM 242 CB ILE A 16 12.017 -18.623 35.522 1.00 0.00 C ATOM 243 CG1 ILE A 16 13.183 -19.601 35.711 1.00 0.00 C ATOM 244 CG2 ILE A 16 11.003 -19.192 34.505 1.00 0.00 C ATOM 245 CD1 ILE A 16 12.693 -20.837 36.466 1.00 0.00 C ATOM 0 H ILE A 16 10.946 -16.417 34.006 1.00 0.00 H new ATOM 0 HA ILE A 16 13.262 -16.881 35.776 1.00 0.00 H new ATOM 0 HB ILE A 16 11.503 -18.482 36.473 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.589 -19.891 34.742 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.990 -19.120 36.264 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.626 -20.150 34.864 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.173 -18.495 34.391 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.494 -19.333 33.542 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.521 -21.533 36.601 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.307 -20.539 37.441 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.901 -21.322 35.895 1.00 0.00 H new ATOM 257 N GLY A 17 14.478 -16.846 33.618 1.00 0.00 N ATOM 258 CA GLY A 17 15.272 -16.948 32.401 1.00 0.00 C ATOM 259 C GLY A 17 16.018 -18.276 32.355 1.00 0.00 C ATOM 260 O GLY A 17 16.372 -18.835 33.392 1.00 0.00 O ATOM 0 H GLY A 17 14.899 -16.283 34.357 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.624 -16.859 31.529 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.984 -16.124 32.355 1.00 0.00 H new ATOM 264 N LYS A 18 16.260 -18.775 31.148 1.00 0.00 N ATOM 265 CA LYS A 18 16.972 -20.036 30.992 1.00 0.00 C ATOM 266 C LYS A 18 17.420 -20.223 29.538 1.00 0.00 C ATOM 267 O LYS A 18 16.778 -19.719 28.616 1.00 0.00 O ATOM 268 CB LYS A 18 16.070 -21.206 31.415 1.00 0.00 C ATOM 269 CG LYS A 18 14.625 -20.909 31.016 1.00 0.00 C ATOM 270 CD LYS A 18 13.754 -22.127 31.323 1.00 0.00 C ATOM 271 CE LYS A 18 12.337 -21.881 30.809 1.00 0.00 C ATOM 272 NZ LYS A 18 11.742 -20.723 31.534 1.00 0.00 N ATOM 0 H LYS A 18 15.977 -18.332 30.274 1.00 0.00 H new ATOM 0 HA LYS A 18 17.855 -20.016 31.630 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.407 -22.128 30.941 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.136 -21.359 32.492 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.257 -20.039 31.560 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.571 -20.668 29.954 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.174 -23.016 30.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.736 -22.313 32.397 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.356 -21.682 29.737 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.725 -22.771 30.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.769 -20.955 31.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.310 -20.513 32.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.731 -19.891 30.910 1.00 0.00 H new ATOM 286 N PRO A 19 18.496 -20.942 29.316 1.00 0.00 N ATOM 287 CA PRO A 19 19.019 -21.203 27.942 1.00 0.00 C ATOM 288 C PRO A 19 18.073 -22.094 27.135 1.00 0.00 C ATOM 289 O PRO A 19 17.883 -23.268 27.457 1.00 0.00 O ATOM 290 CB PRO A 19 20.369 -21.899 28.190 1.00 0.00 C ATOM 291 CG PRO A 19 20.242 -22.510 29.546 1.00 0.00 C ATOM 292 CD PRO A 19 19.333 -21.579 30.346 1.00 0.00 C ATOM 0 HA PRO A 19 19.116 -20.290 27.354 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.568 -22.657 27.432 1.00 0.00 H new ATOM 0 HB3 PRO A 19 21.193 -21.187 28.153 1.00 0.00 H new ATOM 0 HG2 PRO A 19 19.817 -23.512 29.484 1.00 0.00 H new ATOM 0 HG3 PRO A 19 21.217 -22.607 30.023 1.00 0.00 H new ATOM 0 HD2 PRO A 19 18.730 -22.130 31.068 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.908 -20.842 30.907 1.00 0.00 H new ATOM 300 N ILE A 20 17.483 -21.528 26.085 1.00 0.00 N ATOM 301 CA ILE A 20 16.559 -22.278 25.239 1.00 0.00 C ATOM 302 C ILE A 20 17.323 -23.014 24.144 1.00 0.00 C ATOM 303 O ILE A 20 18.142 -22.421 23.439 1.00 0.00 O ATOM 304 CB ILE A 20 15.538 -21.331 24.601 1.00 0.00 C ATOM 305 CG1 ILE A 20 14.765 -20.610 25.710 1.00 0.00 C ATOM 306 CG2 ILE A 20 14.558 -22.137 23.739 1.00 0.00 C ATOM 307 CD1 ILE A 20 13.837 -19.553 25.097 1.00 0.00 C ATOM 0 H ILE A 20 17.627 -20.559 25.801 1.00 0.00 H new ATOM 0 HA ILE A 20 16.036 -23.005 25.861 1.00 0.00 H new ATOM 0 HB ILE A 20 16.054 -20.603 23.975 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.182 -21.329 26.285 1.00 0.00 H new ATOM 0 HG13 ILE A 20 15.461 -20.137 26.403 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.832 -21.462 23.286 1.00 0.00 H new ATOM 0 HG22 ILE A 20 15.107 -22.659 22.955 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.037 -22.864 24.363 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.290 -19.044 25.891 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.430 -18.826 24.541 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.130 -20.036 24.422 1.00 0.00 H new ATOM 319 N GLY A 21 17.043 -24.303 24.001 1.00 0.00 N ATOM 320 CA GLY A 21 17.700 -25.111 22.982 1.00 0.00 C ATOM 321 C GLY A 21 17.266 -24.672 21.587 1.00 0.00 C ATOM 322 O GLY A 21 16.164 -24.154 21.404 1.00 0.00 O ATOM 0 H GLY A 21 16.369 -24.809 24.575 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.782 -25.018 23.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 17.456 -26.163 23.131 1.00 0.00 H new ATOM 326 N GLU A 22 18.141 -24.879 20.610 1.00 0.00 N ATOM 327 CA GLU A 22 17.843 -24.494 19.236 1.00 0.00 C ATOM 328 C GLU A 22 16.476 -25.029 18.822 1.00 0.00 C ATOM 329 O GLU A 22 15.678 -24.318 18.211 1.00 0.00 O ATOM 330 CB GLU A 22 18.915 -25.050 18.293 1.00 0.00 C ATOM 331 CG GLU A 22 20.293 -24.460 18.644 1.00 0.00 C ATOM 332 CD GLU A 22 20.937 -25.241 19.790 1.00 0.00 C ATOM 333 OE1 GLU A 22 20.291 -26.132 20.316 1.00 0.00 O ATOM 334 OE2 GLU A 22 22.075 -24.943 20.116 1.00 0.00 O ATOM 0 H GLU A 22 19.057 -25.308 20.742 1.00 0.00 H new ATOM 0 HA GLU A 22 17.834 -23.406 19.174 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.947 -26.137 18.369 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.661 -24.810 17.261 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.941 -24.489 17.768 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.185 -23.413 18.926 1.00 0.00 H new ATOM 341 N SER A 23 16.209 -26.283 19.169 1.00 0.00 N ATOM 342 CA SER A 23 14.930 -26.898 18.838 1.00 0.00 C ATOM 343 C SER A 23 13.785 -26.175 19.543 1.00 0.00 C ATOM 344 O SER A 23 12.735 -25.931 18.950 1.00 0.00 O ATOM 345 CB SER A 23 14.935 -28.372 19.243 1.00 0.00 C ATOM 346 OG SER A 23 13.696 -28.963 18.876 1.00 0.00 O ATOM 0 H SER A 23 16.855 -26.889 19.675 1.00 0.00 H new ATOM 0 HA SER A 23 14.782 -26.820 17.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.759 -28.893 18.754 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.092 -28.465 20.318 1.00 0.00 H new ATOM 0 HG SER A 23 13.696 -29.909 19.133 1.00 0.00 H new ATOM 352 N TYR A 24 13.995 -25.835 20.815 1.00 0.00 N ATOM 353 CA TYR A 24 12.973 -25.141 21.591 1.00 0.00 C ATOM 354 C TYR A 24 12.950 -23.660 21.242 1.00 0.00 C ATOM 355 O TYR A 24 12.032 -22.935 21.624 1.00 0.00 O ATOM 356 CB TYR A 24 13.243 -25.314 23.085 1.00 0.00 C ATOM 357 CG TYR A 24 13.112 -26.771 23.454 1.00 0.00 C ATOM 358 CD1 TYR A 24 14.201 -27.637 23.293 1.00 0.00 C ATOM 359 CD2 TYR A 24 11.900 -27.258 23.958 1.00 0.00 C ATOM 360 CE1 TYR A 24 14.079 -28.988 23.635 1.00 0.00 C ATOM 361 CE2 TYR A 24 11.778 -28.609 24.302 1.00 0.00 C ATOM 362 CZ TYR A 24 12.866 -29.474 24.140 1.00 0.00 C ATOM 363 OH TYR A 24 12.745 -30.806 24.480 1.00 0.00 O ATOM 0 H TYR A 24 14.857 -26.028 21.325 1.00 0.00 H new ATOM 0 HA TYR A 24 12.003 -25.574 21.347 1.00 0.00 H new ATOM 0 HB2 TYR A 24 14.243 -24.954 23.329 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.539 -24.716 23.664 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.136 -27.261 22.904 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.059 -26.591 24.081 1.00 0.00 H new ATOM 0 HE1 TYR A 24 14.919 -29.655 23.510 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.844 -28.984 24.693 1.00 0.00 H new ATOM 0 HH TYR A 24 11.840 -30.977 24.815 1.00 0.00 H new ATOM 373 N LYS A 25 13.965 -23.215 20.509 1.00 0.00 N ATOM 374 CA LYS A 25 14.054 -21.817 20.098 1.00 0.00 C ATOM 375 C LYS A 25 13.437 -21.627 18.715 1.00 0.00 C ATOM 376 O LYS A 25 12.897 -20.566 18.404 1.00 0.00 O ATOM 377 CB LYS A 25 15.523 -21.372 20.077 1.00 0.00 C ATOM 378 CG LYS A 25 15.603 -19.842 20.133 1.00 0.00 C ATOM 379 CD LYS A 25 17.062 -19.403 20.290 1.00 0.00 C ATOM 380 CE LYS A 25 17.857 -19.742 19.025 1.00 0.00 C ATOM 381 NZ LYS A 25 19.112 -18.941 19.004 1.00 0.00 N ATOM 0 H LYS A 25 14.736 -23.800 20.187 1.00 0.00 H new ATOM 0 HA LYS A 25 13.502 -21.208 20.814 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.056 -21.804 20.924 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.011 -21.738 19.173 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.181 -19.413 19.224 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.010 -19.468 20.967 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.108 -18.331 20.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.508 -19.899 21.152 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.091 -20.806 19.003 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.260 -19.528 18.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.655 -19.168 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.877 -17.928 19.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.682 -19.167 19.844 1.00 0.00 H new ATOM 395 N ARG A 26 13.525 -22.665 17.891 1.00 0.00 N ATOM 396 CA ARG A 26 12.978 -22.611 16.543 1.00 0.00 C ATOM 397 C ARG A 26 11.457 -22.582 16.587 1.00 0.00 C ATOM 398 O ARG A 26 10.816 -21.878 15.806 1.00 0.00 O ATOM 399 CB ARG A 26 13.453 -23.819 15.734 1.00 0.00 C ATOM 400 CG ARG A 26 12.945 -23.699 14.293 1.00 0.00 C ATOM 401 CD ARG A 26 13.493 -24.855 13.457 1.00 0.00 C ATOM 402 NE ARG A 26 14.938 -24.721 13.302 1.00 0.00 N ATOM 403 CZ ARG A 26 15.643 -25.621 12.624 1.00 0.00 C ATOM 404 NH1 ARG A 26 15.044 -26.646 12.083 1.00 0.00 N ATOM 405 NH2 ARG A 26 16.934 -25.480 12.499 1.00 0.00 N ATOM 0 H ARG A 26 13.969 -23.551 18.133 1.00 0.00 H new ATOM 0 HA ARG A 26 13.331 -21.699 16.062 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.542 -23.872 15.744 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.085 -24.740 16.185 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.855 -23.712 14.279 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.258 -22.747 13.865 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.257 -25.805 13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.014 -24.865 12.478 1.00 0.00 H new ATOM 0 HE ARG A 26 15.415 -23.923 13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.035 -26.757 12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.585 -27.337 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.403 -24.679 12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.474 -26.171 11.979 1.00 0.00 H new ATOM 419 N ILE A 27 10.882 -23.360 17.497 1.00 0.00 N ATOM 420 CA ILE A 27 9.435 -23.421 17.622 1.00 0.00 C ATOM 421 C ILE A 27 8.874 -22.042 17.931 1.00 0.00 C ATOM 422 O ILE A 27 7.938 -21.578 17.280 1.00 0.00 O ATOM 423 CB ILE A 27 9.047 -24.393 18.746 1.00 0.00 C ATOM 424 CG1 ILE A 27 7.530 -24.367 18.955 1.00 0.00 C ATOM 425 CG2 ILE A 27 9.746 -23.996 20.053 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.132 -25.514 19.884 1.00 0.00 C ATOM 0 H ILE A 27 11.392 -23.952 18.153 1.00 0.00 H new ATOM 0 HA ILE A 27 9.019 -23.772 16.678 1.00 0.00 H new ATOM 0 HB ILE A 27 9.359 -25.398 18.462 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.226 -23.413 19.385 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.017 -24.463 17.998 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.463 -24.692 20.843 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.826 -24.027 19.912 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.445 -22.987 20.334 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.053 -25.501 20.037 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.423 -26.464 19.435 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.636 -25.397 20.844 1.00 0.00 H new ATOM 438 N LEU A 28 9.454 -21.394 18.928 1.00 0.00 N ATOM 439 CA LEU A 28 9.008 -20.065 19.319 1.00 0.00 C ATOM 440 C LEU A 28 9.227 -19.076 18.180 1.00 0.00 C ATOM 441 O LEU A 28 8.356 -18.263 17.874 1.00 0.00 O ATOM 442 CB LEU A 28 9.775 -19.597 20.562 1.00 0.00 C ATOM 443 CG LEU A 28 9.265 -18.220 21.021 1.00 0.00 C ATOM 444 CD1 LEU A 28 7.776 -18.303 21.406 1.00 0.00 C ATOM 445 CD2 LEU A 28 10.090 -17.757 22.230 1.00 0.00 C ATOM 0 H LEU A 28 10.229 -21.763 19.479 1.00 0.00 H new ATOM 0 HA LEU A 28 7.944 -20.111 19.549 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.654 -20.323 21.366 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.841 -19.542 20.340 1.00 0.00 H new ATOM 0 HG LEU A 28 9.373 -17.505 20.205 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.428 -17.322 21.729 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.195 -18.628 20.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.650 -19.018 22.219 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.734 -16.781 22.561 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.982 -18.477 23.041 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.140 -17.683 21.947 1.00 0.00 H new ATOM 457 N ALA A 29 10.399 -19.154 17.558 1.00 0.00 N ATOM 458 CA ALA A 29 10.729 -18.262 16.456 1.00 0.00 C ATOM 459 C ALA A 29 9.809 -18.516 15.271 1.00 0.00 C ATOM 460 O ALA A 29 9.608 -17.642 14.427 1.00 0.00 O ATOM 461 CB ALA A 29 12.184 -18.470 16.030 1.00 0.00 C ATOM 0 H ALA A 29 11.131 -19.822 17.798 1.00 0.00 H new ATOM 0 HA ALA A 29 10.595 -17.234 16.793 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.421 -17.798 15.205 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.843 -18.258 16.872 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.325 -19.502 15.709 1.00 0.00 H new ATOM 467 N LYS A 30 9.259 -19.722 15.213 1.00 0.00 N ATOM 468 CA LYS A 30 8.370 -20.092 14.123 1.00 0.00 C ATOM 469 C LYS A 30 7.185 -19.136 14.068 1.00 0.00 C ATOM 470 O LYS A 30 6.499 -19.034 13.051 1.00 0.00 O ATOM 471 CB LYS A 30 7.862 -21.535 14.306 1.00 0.00 C ATOM 472 CG LYS A 30 7.510 -22.144 12.932 1.00 0.00 C ATOM 473 CD LYS A 30 8.767 -22.776 12.313 1.00 0.00 C ATOM 474 CE LYS A 30 8.607 -22.899 10.796 1.00 0.00 C ATOM 475 NZ LYS A 30 9.825 -23.540 10.220 1.00 0.00 N ATOM 0 H LYS A 30 9.412 -20.456 15.904 1.00 0.00 H new ATOM 0 HA LYS A 30 8.927 -20.031 13.188 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.625 -22.139 14.797 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.985 -21.542 14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.730 -22.897 13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.115 -21.373 12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.641 -22.167 12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.940 -23.760 12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.724 -23.492 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.457 -21.914 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.718 -23.625 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.659 -22.957 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.948 -24.486 10.634 1.00 0.00 H new ATOM 489 N LEU A 31 6.950 -18.444 15.174 1.00 0.00 N ATOM 490 CA LEU A 31 5.841 -17.506 15.249 1.00 0.00 C ATOM 491 C LEU A 31 5.994 -16.435 14.180 1.00 0.00 C ATOM 492 O LEU A 31 5.013 -16.008 13.576 1.00 0.00 O ATOM 493 CB LEU A 31 5.797 -16.854 16.633 1.00 0.00 C ATOM 494 CG LEU A 31 4.587 -15.909 16.740 1.00 0.00 C ATOM 495 CD1 LEU A 31 3.273 -16.692 16.542 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.593 -15.252 18.124 1.00 0.00 C ATOM 0 H LEU A 31 7.508 -18.514 16.025 1.00 0.00 H new ATOM 0 HA LEU A 31 4.910 -18.048 15.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.736 -17.623 17.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.718 -16.298 16.810 1.00 0.00 H new ATOM 0 HG LEU A 31 4.655 -15.147 15.964 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.427 -16.009 16.621 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.272 -17.158 15.557 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.190 -17.463 17.308 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.739 -14.580 18.211 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.528 -16.022 18.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.515 -14.686 18.254 1.00 0.00 H new ATOM 508 N GLN A 32 7.227 -16.005 13.952 1.00 0.00 N ATOM 509 CA GLN A 32 7.488 -14.982 12.952 1.00 0.00 C ATOM 510 C GLN A 32 6.897 -15.392 11.608 1.00 0.00 C ATOM 511 O GLN A 32 6.291 -14.577 10.912 1.00 0.00 O ATOM 512 CB GLN A 32 8.997 -14.771 12.811 1.00 0.00 C ATOM 513 CG GLN A 32 9.537 -14.112 14.081 1.00 0.00 C ATOM 514 CD GLN A 32 11.051 -13.958 13.987 1.00 0.00 C ATOM 515 OE1 GLN A 32 11.563 -13.457 12.986 1.00 0.00 O ATOM 516 NE2 GLN A 32 11.802 -14.365 14.973 1.00 0.00 N ATOM 0 H GLN A 32 8.055 -16.345 14.441 1.00 0.00 H new ATOM 0 HA GLN A 32 7.020 -14.051 13.271 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.495 -15.726 12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.209 -14.145 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.072 -13.136 14.220 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.278 -14.715 14.951 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.375 -14.780 15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.816 -14.268 14.915 1.00 0.00 H new ATOM 525 N ARG A 33 7.063 -16.663 11.254 1.00 0.00 N ATOM 526 CA ARG A 33 6.526 -17.167 9.997 1.00 0.00 C ATOM 527 C ARG A 33 5.003 -17.092 10.009 1.00 0.00 C ATOM 528 O ARG A 33 4.382 -16.674 9.035 1.00 0.00 O ATOM 529 CB ARG A 33 6.985 -18.627 9.782 1.00 0.00 C ATOM 530 CG ARG A 33 8.279 -18.675 8.952 1.00 0.00 C ATOM 531 CD ARG A 33 7.946 -18.576 7.457 1.00 0.00 C ATOM 532 NE ARG A 33 9.168 -18.705 6.670 1.00 0.00 N ATOM 533 CZ ARG A 33 9.907 -17.644 6.357 1.00 0.00 C ATOM 534 NH1 ARG A 33 9.549 -16.452 6.758 1.00 0.00 N ATOM 535 NH2 ARG A 33 10.994 -17.795 5.654 1.00 0.00 N ATOM 0 H ARG A 33 7.560 -17.356 11.814 1.00 0.00 H new ATOM 0 HA ARG A 33 6.899 -16.552 9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.148 -19.108 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.201 -19.189 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.937 -17.856 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.816 -19.602 9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.239 -19.358 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.464 -17.622 7.244 1.00 0.00 H new ATOM 0 HE ARG A 33 9.462 -19.629 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.701 -16.334 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.118 -15.640 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.276 -18.725 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.562 -16.983 5.413 1.00 0.00 H new ATOM 549 N ILE A 34 4.411 -17.504 11.119 1.00 0.00 N ATOM 550 CA ILE A 34 2.964 -17.479 11.244 1.00 0.00 C ATOM 551 C ILE A 34 2.455 -16.044 11.218 1.00 0.00 C ATOM 552 O ILE A 34 1.452 -15.744 10.574 1.00 0.00 O ATOM 553 CB ILE A 34 2.543 -18.153 12.549 1.00 0.00 C ATOM 554 CG1 ILE A 34 2.864 -19.648 12.469 1.00 0.00 C ATOM 555 CG2 ILE A 34 1.036 -17.959 12.761 1.00 0.00 C ATOM 556 CD1 ILE A 34 2.694 -20.287 13.847 1.00 0.00 C ATOM 0 H ILE A 34 4.905 -17.856 11.939 1.00 0.00 H new ATOM 0 HA ILE A 34 2.531 -18.021 10.403 1.00 0.00 H new ATOM 0 HB ILE A 34 3.084 -17.708 13.384 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.205 -20.133 11.749 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.885 -19.792 12.114 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.735 -18.440 13.692 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.810 -16.894 12.813 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.491 -18.406 11.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.923 -21.351 13.786 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.371 -19.810 14.555 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.666 -20.156 14.184 1.00 0.00 H new ATOM 568 N HIS A 35 3.142 -15.166 11.937 1.00 0.00 N ATOM 569 CA HIS A 35 2.738 -13.770 12.004 1.00 0.00 C ATOM 570 C HIS A 35 2.634 -13.170 10.607 1.00 0.00 C ATOM 571 O HIS A 35 1.637 -12.533 10.269 1.00 0.00 O ATOM 572 CB HIS A 35 3.757 -12.980 12.827 1.00 0.00 C ATOM 573 CG HIS A 35 3.336 -11.539 12.900 1.00 0.00 C ATOM 574 ND1 HIS A 35 2.244 -11.125 13.645 1.00 0.00 N ATOM 575 CD2 HIS A 35 3.855 -10.402 12.330 1.00 0.00 C ATOM 576 CE1 HIS A 35 2.140 -9.790 13.505 1.00 0.00 C ATOM 577 NE2 HIS A 35 3.098 -9.299 12.714 1.00 0.00 N ATOM 0 H HIS A 35 3.976 -15.395 12.478 1.00 0.00 H new ATOM 0 HA HIS A 35 1.759 -13.715 12.479 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.832 -13.399 13.831 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.745 -13.058 12.374 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.719 -10.369 11.683 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.375 -9.189 13.975 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.243 -8.325 12.448 1.00 0.00 H new ATOM 585 N ASN A 36 3.665 -13.381 9.796 1.00 0.00 N ATOM 586 CA ASN A 36 3.673 -12.860 8.432 1.00 0.00 C ATOM 587 C ASN A 36 2.919 -13.795 7.487 1.00 0.00 C ATOM 588 O ASN A 36 2.096 -13.354 6.683 1.00 0.00 O ATOM 589 CB ASN A 36 5.114 -12.698 7.951 1.00 0.00 C ATOM 590 CG ASN A 36 5.141 -11.880 6.668 1.00 0.00 C ATOM 591 OD1 ASN A 36 4.101 -11.403 6.212 1.00 0.00 O ATOM 592 ND2 ASN A 36 6.274 -11.688 6.052 1.00 0.00 N ATOM 0 H ASN A 36 4.501 -13.905 10.056 1.00 0.00 H new ATOM 0 HA ASN A 36 3.174 -11.891 8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.710 -12.206 8.719 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.562 -13.677 7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.300 -11.142 5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.134 -12.084 6.431 1.00 0.00 H new ATOM 599 N SER A 37 3.214 -15.087 7.594 1.00 0.00 N ATOM 600 CA SER A 37 2.577 -16.098 6.753 1.00 0.00 C ATOM 601 C SER A 37 1.237 -16.527 7.347 1.00 0.00 C ATOM 602 O SER A 37 0.711 -17.587 7.010 1.00 0.00 O ATOM 603 CB SER A 37 3.500 -17.315 6.598 1.00 0.00 C ATOM 604 OG SER A 37 3.239 -17.936 5.347 1.00 0.00 O ATOM 0 H SER A 37 3.893 -15.461 8.257 1.00 0.00 H new ATOM 0 HA SER A 37 2.395 -15.663 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.544 -17.006 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.332 -18.021 7.411 1.00 0.00 H new ATOM 0 HG SER A 37 3.826 -18.714 5.239 1.00 0.00 H new ATOM 610 N ASN A 38 0.697 -15.704 8.239 1.00 0.00 N ATOM 611 CA ASN A 38 -0.574 -16.021 8.882 1.00 0.00 C ATOM 612 C ASN A 38 -1.582 -16.523 7.857 1.00 0.00 C ATOM 613 O ASN A 38 -1.902 -15.835 6.888 1.00 0.00 O ATOM 614 CB ASN A 38 -1.136 -14.776 9.567 1.00 0.00 C ATOM 615 CG ASN A 38 -2.340 -15.151 10.423 1.00 0.00 C ATOM 616 OD1 ASN A 38 -3.481 -14.906 10.034 1.00 0.00 O ATOM 617 ND2 ASN A 38 -2.152 -15.736 11.574 1.00 0.00 N ATOM 0 H ASN A 38 1.114 -14.820 8.532 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.398 -16.802 9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.368 -14.314 10.187 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.427 -14.039 8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.952 -15.991 12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.205 -15.938 11.895 1.00 0.00 H new ATOM 624 N ILE A 39 -2.072 -17.737 8.083 1.00 0.00 N ATOM 625 CA ILE A 39 -3.042 -18.348 7.184 1.00 0.00 C ATOM 626 C ILE A 39 -2.635 -18.124 5.735 1.00 0.00 C ATOM 627 O ILE A 39 -3.335 -17.445 4.984 1.00 0.00 O ATOM 628 CB ILE A 39 -4.427 -17.752 7.416 1.00 0.00 C ATOM 629 CG1 ILE A 39 -4.734 -17.747 8.908 1.00 0.00 C ATOM 630 CG2 ILE A 39 -5.475 -18.597 6.689 1.00 0.00 C ATOM 631 CD1 ILE A 39 -6.095 -17.098 9.147 1.00 0.00 C ATOM 0 H ILE A 39 -1.813 -18.317 8.881 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.070 -19.418 7.389 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.450 -16.732 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.733 -18.767 9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.960 -17.202 9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.465 -18.171 6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.258 -18.606 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.450 -19.617 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.314 -17.095 10.215 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.079 -16.073 8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.865 -17.662 8.620 1.00 0.00 H new ATOM 643 N LEU A 40 -1.495 -18.692 5.349 1.00 0.00 N ATOM 644 CA LEU A 40 -0.986 -18.548 3.982 1.00 0.00 C ATOM 645 C LEU A 40 -0.839 -19.912 3.323 1.00 0.00 C ATOM 646 O LEU A 40 -0.494 -20.895 3.977 1.00 0.00 O ATOM 647 CB LEU A 40 0.375 -17.842 3.995 1.00 0.00 C ATOM 648 CG LEU A 40 0.836 -17.552 2.554 1.00 0.00 C ATOM 649 CD1 LEU A 40 -0.120 -16.558 1.866 1.00 0.00 C ATOM 650 CD2 LEU A 40 2.257 -16.973 2.591 1.00 0.00 C ATOM 0 H LEU A 40 -0.905 -19.256 5.961 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.699 -17.951 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.305 -16.911 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.112 -18.465 4.502 1.00 0.00 H new ATOM 0 HG LEU A 40 0.829 -18.480 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.224 -16.367 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.124 -16.981 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.136 -15.623 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.592 -16.765 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.259 -16.050 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.931 -17.693 3.054 1.00 0.00 H new ATOM 662 N ASP A 41 -1.094 -19.957 2.019 1.00 0.00 N ATOM 663 CA ASP A 41 -0.989 -21.203 1.267 1.00 0.00 C ATOM 664 C ASP A 41 0.262 -21.971 1.677 1.00 0.00 C ATOM 665 O ASP A 41 0.226 -23.189 1.845 1.00 0.00 O ATOM 666 CB ASP A 41 -0.940 -20.903 -0.235 1.00 0.00 C ATOM 667 CG ASP A 41 -2.305 -20.420 -0.719 1.00 0.00 C ATOM 668 OD1 ASP A 41 -3.279 -20.661 -0.024 1.00 0.00 O ATOM 669 OD2 ASP A 41 -2.357 -19.822 -1.780 1.00 0.00 O ATOM 0 H ASP A 41 -1.374 -19.149 1.463 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.864 -21.815 1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.184 -20.144 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.647 -21.799 -0.783 1.00 0.00 H new ATOM 674 N GLU A 42 1.364 -21.253 1.844 1.00 0.00 N ATOM 675 CA GLU A 42 2.613 -21.883 2.244 1.00 0.00 C ATOM 676 C GLU A 42 2.527 -22.373 3.688 1.00 0.00 C ATOM 677 O GLU A 42 3.013 -23.455 4.018 1.00 0.00 O ATOM 678 CB GLU A 42 3.756 -20.884 2.110 1.00 0.00 C ATOM 679 CG GLU A 42 5.086 -21.585 2.410 1.00 0.00 C ATOM 680 CD GLU A 42 6.246 -20.610 2.232 1.00 0.00 C ATOM 681 OE1 GLU A 42 5.988 -19.423 2.136 1.00 0.00 O ATOM 682 OE2 GLU A 42 7.376 -21.069 2.196 1.00 0.00 O ATOM 0 H GLU A 42 1.419 -20.243 1.710 1.00 0.00 H new ATOM 0 HA GLU A 42 2.797 -22.739 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.772 -20.466 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.608 -20.052 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.080 -21.972 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.214 -22.439 1.745 1.00 0.00 H new ATOM 689 N ARG A 43 1.902 -21.567 4.541 1.00 0.00 N ATOM 690 CA ARG A 43 1.749 -21.920 5.947 1.00 0.00 C ATOM 691 C ARG A 43 0.844 -23.145 6.089 1.00 0.00 C ATOM 692 O ARG A 43 1.068 -23.994 6.951 1.00 0.00 O ATOM 693 CB ARG A 43 1.148 -20.748 6.727 1.00 0.00 C ATOM 694 CG ARG A 43 1.131 -21.086 8.221 1.00 0.00 C ATOM 695 CD ARG A 43 0.300 -20.047 8.968 1.00 0.00 C ATOM 696 NE ARG A 43 0.177 -20.423 10.377 1.00 0.00 N ATOM 697 CZ ARG A 43 -0.915 -20.129 11.086 1.00 0.00 C ATOM 698 NH1 ARG A 43 -1.911 -19.497 10.529 1.00 0.00 N ATOM 699 NH2 ARG A 43 -0.987 -20.474 12.344 1.00 0.00 N ATOM 0 H ARG A 43 1.495 -20.668 4.284 1.00 0.00 H new ATOM 0 HA ARG A 43 2.734 -22.152 6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.732 -19.844 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.136 -20.545 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.713 -22.081 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.148 -21.104 8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.768 -19.066 8.884 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.689 -19.967 8.517 1.00 0.00 H new ATOM 0 HE ARG A 43 0.944 -20.922 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.857 -19.225 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.743 -19.275 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.209 -20.967 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.821 -20.250 12.887 1.00 0.00 H new ATOM 713 N GLN A 44 -0.198 -23.216 5.261 1.00 0.00 N ATOM 714 CA GLN A 44 -1.147 -24.329 5.331 1.00 0.00 C ATOM 715 C GLN A 44 -0.420 -25.654 5.558 1.00 0.00 C ATOM 716 O GLN A 44 -0.817 -26.450 6.409 1.00 0.00 O ATOM 717 CB GLN A 44 -1.951 -24.419 4.029 1.00 0.00 C ATOM 718 CG GLN A 44 -2.900 -23.223 3.918 1.00 0.00 C ATOM 719 CD GLN A 44 -3.688 -23.301 2.613 1.00 0.00 C ATOM 720 OE1 GLN A 44 -3.582 -24.285 1.879 1.00 0.00 O ATOM 721 NE2 GLN A 44 -4.476 -22.315 2.279 1.00 0.00 N ATOM 0 H GLN A 44 -0.406 -22.524 4.541 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.818 -24.143 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.275 -24.438 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.520 -25.349 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.585 -23.212 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.332 -22.293 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.562 -21.502 2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.006 -22.358 1.408 1.00 0.00 H new ATOM 730 N GLY A 45 0.651 -25.877 4.804 1.00 0.00 N ATOM 731 CA GLY A 45 1.427 -27.101 4.945 1.00 0.00 C ATOM 732 C GLY A 45 2.130 -27.129 6.291 1.00 0.00 C ATOM 733 O GLY A 45 2.252 -28.179 6.921 1.00 0.00 O ATOM 0 H GLY A 45 0.999 -25.231 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.772 -27.967 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.161 -27.168 4.142 1.00 0.00 H new ATOM 737 N LEU A 46 2.596 -25.965 6.726 1.00 0.00 N ATOM 738 CA LEU A 46 3.289 -25.867 8.000 1.00 0.00 C ATOM 739 C LEU A 46 2.347 -26.191 9.153 1.00 0.00 C ATOM 740 O LEU A 46 2.754 -26.784 10.149 1.00 0.00 O ATOM 741 CB LEU A 46 3.891 -24.465 8.190 1.00 0.00 C ATOM 742 CG LEU A 46 4.489 -24.325 9.603 1.00 0.00 C ATOM 743 CD1 LEU A 46 5.547 -25.414 9.845 1.00 0.00 C ATOM 744 CD2 LEU A 46 5.143 -22.947 9.745 1.00 0.00 C ATOM 0 H LEU A 46 2.507 -25.084 6.219 1.00 0.00 H new ATOM 0 HA LEU A 46 4.100 -26.595 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.664 -24.290 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.122 -23.708 8.037 1.00 0.00 H new ATOM 0 HG LEU A 46 3.690 -24.435 10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.961 -25.303 10.847 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.086 -26.397 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.346 -25.315 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.567 -22.847 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.935 -22.842 9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.394 -22.171 9.589 1.00 0.00 H new ATOM 756 N MET A 47 1.098 -25.773 9.023 1.00 0.00 N ATOM 757 CA MET A 47 0.115 -25.999 10.074 1.00 0.00 C ATOM 758 C MET A 47 -0.055 -27.492 10.343 1.00 0.00 C ATOM 759 O MET A 47 -0.161 -27.912 11.492 1.00 0.00 O ATOM 760 CB MET A 47 -1.232 -25.396 9.640 1.00 0.00 C ATOM 761 CG MET A 47 -1.253 -23.876 9.893 1.00 0.00 C ATOM 762 SD MET A 47 -2.279 -23.065 8.639 1.00 0.00 S ATOM 763 CE MET A 47 -3.730 -24.134 8.798 1.00 0.00 C ATOM 0 H MET A 47 0.741 -25.278 8.206 1.00 0.00 H new ATOM 0 HA MET A 47 0.461 -25.522 10.991 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.402 -25.596 8.582 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.044 -25.873 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.646 -23.668 10.888 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.239 -23.478 9.861 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.618 -23.592 8.473 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.598 -25.021 8.178 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.849 -24.434 9.839 1.00 0.00 H new ATOM 773 N HIS A 48 -0.085 -28.284 9.285 1.00 0.00 N ATOM 774 CA HIS A 48 -0.251 -29.722 9.438 1.00 0.00 C ATOM 775 C HIS A 48 0.904 -30.325 10.233 1.00 0.00 C ATOM 776 O HIS A 48 0.689 -31.118 11.150 1.00 0.00 O ATOM 777 CB HIS A 48 -0.323 -30.382 8.065 1.00 0.00 C ATOM 778 CG HIS A 48 -0.650 -31.840 8.229 1.00 0.00 C ATOM 779 ND1 HIS A 48 0.327 -32.794 8.466 1.00 0.00 N ATOM 780 CD2 HIS A 48 -1.841 -32.519 8.194 1.00 0.00 C ATOM 781 CE1 HIS A 48 -0.289 -33.987 8.563 1.00 0.00 C ATOM 782 NE2 HIS A 48 -1.612 -33.876 8.406 1.00 0.00 N ATOM 0 H HIS A 48 0.002 -27.962 8.321 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.178 -29.902 9.983 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.082 -29.894 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.627 -30.267 7.544 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.809 -32.070 8.027 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.223 -34.920 8.745 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.305 -34.624 8.435 1.00 0.00 H new ATOM 790 N GLU A 49 2.126 -29.952 9.874 1.00 0.00 N ATOM 791 CA GLU A 49 3.303 -30.473 10.560 1.00 0.00 C ATOM 792 C GLU A 49 3.511 -29.773 11.897 1.00 0.00 C ATOM 793 O GLU A 49 3.676 -30.422 12.927 1.00 0.00 O ATOM 794 CB GLU A 49 4.541 -30.279 9.686 1.00 0.00 C ATOM 795 CG GLU A 49 5.744 -30.954 10.348 1.00 0.00 C ATOM 796 CD GLU A 49 6.956 -30.874 9.427 1.00 0.00 C ATOM 797 OE1 GLU A 49 6.898 -30.121 8.468 1.00 0.00 O ATOM 798 OE2 GLU A 49 7.922 -31.570 9.690 1.00 0.00 O ATOM 0 H GLU A 49 2.328 -29.297 9.119 1.00 0.00 H new ATOM 0 HA GLU A 49 3.146 -31.535 10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.371 -30.704 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.738 -29.216 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.966 -30.469 11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.512 -31.996 10.568 1.00 0.00 H new ATOM 805 N LEU A 50 3.500 -28.447 11.872 1.00 0.00 N ATOM 806 CA LEU A 50 3.703 -27.670 13.091 1.00 0.00 C ATOM 807 C LEU A 50 2.762 -28.142 14.190 1.00 0.00 C ATOM 808 O LEU A 50 3.143 -28.204 15.359 1.00 0.00 O ATOM 809 CB LEU A 50 3.461 -26.183 12.815 1.00 0.00 C ATOM 810 CG LEU A 50 3.732 -25.347 14.074 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.201 -25.494 14.511 1.00 0.00 C ATOM 812 CD2 LEU A 50 3.419 -23.875 13.775 1.00 0.00 C ATOM 0 H LEU A 50 3.354 -27.890 11.030 1.00 0.00 H new ATOM 0 HA LEU A 50 4.732 -27.814 13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.108 -25.848 12.004 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.433 -26.032 12.486 1.00 0.00 H new ATOM 0 HG LEU A 50 3.096 -25.701 14.885 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.376 -24.895 15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.413 -26.541 14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.855 -25.150 13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.609 -23.275 14.665 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.053 -23.527 12.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.372 -23.777 13.488 1.00 0.00 H new ATOM 824 N MET A 51 1.535 -28.471 13.811 1.00 0.00 N ATOM 825 CA MET A 51 0.550 -28.929 14.782 1.00 0.00 C ATOM 826 C MET A 51 1.094 -30.115 15.568 1.00 0.00 C ATOM 827 O MET A 51 0.910 -30.203 16.781 1.00 0.00 O ATOM 828 CB MET A 51 -0.738 -29.333 14.061 1.00 0.00 C ATOM 829 CG MET A 51 -1.780 -29.806 15.077 1.00 0.00 C ATOM 830 SD MET A 51 -3.331 -30.175 14.220 1.00 0.00 S ATOM 831 CE MET A 51 -2.980 -31.912 13.851 1.00 0.00 C ATOM 0 H MET A 51 1.200 -28.430 12.849 1.00 0.00 H new ATOM 0 HA MET A 51 0.336 -28.116 15.476 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.128 -28.487 13.495 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.530 -30.128 13.345 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.420 -30.693 15.598 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.943 -29.037 15.832 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.529 -32.212 12.958 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.911 -32.039 13.680 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.289 -32.532 14.692 1.00 0.00 H new ATOM 841 N GLU A 52 1.761 -31.023 14.872 1.00 0.00 N ATOM 842 CA GLU A 52 2.324 -32.196 15.521 1.00 0.00 C ATOM 843 C GLU A 52 3.453 -31.799 16.467 1.00 0.00 C ATOM 844 O GLU A 52 3.576 -32.344 17.563 1.00 0.00 O ATOM 845 CB GLU A 52 2.863 -33.163 14.467 1.00 0.00 C ATOM 846 CG GLU A 52 1.711 -33.660 13.592 1.00 0.00 C ATOM 847 CD GLU A 52 0.760 -34.521 14.415 1.00 0.00 C ATOM 848 OE1 GLU A 52 1.181 -35.010 15.450 1.00 0.00 O ATOM 849 OE2 GLU A 52 -0.377 -34.677 14.000 1.00 0.00 O ATOM 0 H GLU A 52 1.925 -30.971 13.867 1.00 0.00 H new ATOM 0 HA GLU A 52 1.536 -32.681 16.097 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.612 -32.666 13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.356 -34.006 14.950 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.172 -32.811 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.103 -34.237 12.754 1.00 0.00 H new ATOM 856 N LEU A 53 4.280 -30.855 16.030 1.00 0.00 N ATOM 857 CA LEU A 53 5.398 -30.406 16.847 1.00 0.00 C ATOM 858 C LEU A 53 4.909 -29.627 18.061 1.00 0.00 C ATOM 859 O LEU A 53 5.249 -29.957 19.195 1.00 0.00 O ATOM 860 CB LEU A 53 6.332 -29.516 16.006 1.00 0.00 C ATOM 861 CG LEU A 53 7.305 -30.387 15.205 1.00 0.00 C ATOM 862 CD1 LEU A 53 6.522 -31.328 14.291 1.00 0.00 C ATOM 863 CD2 LEU A 53 8.212 -29.493 14.358 1.00 0.00 C ATOM 0 H LEU A 53 4.198 -30.391 15.125 1.00 0.00 H new ATOM 0 HA LEU A 53 5.941 -31.284 17.196 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.745 -28.896 15.329 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.887 -28.840 16.657 1.00 0.00 H new ATOM 0 HG LEU A 53 7.912 -30.975 15.894 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.218 -31.946 13.723 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.877 -31.968 14.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.912 -30.743 13.603 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.904 -30.113 13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.604 -28.903 13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.775 -28.825 15.009 1.00 0.00 H new ATOM 875 N ILE A 54 4.107 -28.597 17.821 1.00 0.00 N ATOM 876 CA ILE A 54 3.598 -27.778 18.917 1.00 0.00 C ATOM 877 C ILE A 54 3.063 -28.659 20.038 1.00 0.00 C ATOM 878 O ILE A 54 2.958 -28.223 21.181 1.00 0.00 O ATOM 879 CB ILE A 54 2.499 -26.827 18.411 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.139 -25.651 17.646 1.00 0.00 C ATOM 881 CG2 ILE A 54 1.658 -26.290 19.581 1.00 0.00 C ATOM 882 CD1 ILE A 54 3.702 -24.573 18.602 1.00 0.00 C ATOM 0 H ILE A 54 3.798 -28.311 16.892 1.00 0.00 H new ATOM 0 HA ILE A 54 4.420 -27.180 19.311 1.00 0.00 H new ATOM 0 HB ILE A 54 1.843 -27.384 17.742 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.941 -26.026 17.011 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.396 -25.200 16.988 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.888 -25.620 19.198 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.187 -27.123 20.103 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.302 -25.746 20.272 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.143 -23.764 18.019 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.896 -24.177 19.220 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.465 -25.017 19.242 1.00 0.00 H new ATOM 894 N ASP A 55 2.717 -29.892 19.706 1.00 0.00 N ATOM 895 CA ASP A 55 2.191 -30.810 20.700 1.00 0.00 C ATOM 896 C ASP A 55 3.320 -31.481 21.468 1.00 0.00 C ATOM 897 O ASP A 55 3.417 -31.354 22.688 1.00 0.00 O ATOM 898 CB ASP A 55 1.337 -31.868 20.006 1.00 0.00 C ATOM 899 CG ASP A 55 0.668 -32.755 21.045 1.00 0.00 C ATOM 900 OD1 ASP A 55 0.042 -32.215 21.941 1.00 0.00 O ATOM 901 OD2 ASP A 55 0.790 -33.963 20.929 1.00 0.00 O ATOM 0 H ASP A 55 2.790 -30.277 18.764 1.00 0.00 H new ATOM 0 HA ASP A 55 1.582 -30.249 21.409 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.582 -31.388 19.384 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.957 -32.472 19.344 1.00 0.00 H new ATOM 906 N LEU A 56 4.165 -32.201 20.745 1.00 0.00 N ATOM 907 CA LEU A 56 5.279 -32.900 21.367 1.00 0.00 C ATOM 908 C LEU A 56 6.268 -31.919 21.989 1.00 0.00 C ATOM 909 O LEU A 56 6.764 -32.141 23.094 1.00 0.00 O ATOM 910 CB LEU A 56 5.997 -33.759 20.326 1.00 0.00 C ATOM 911 CG LEU A 56 5.085 -34.917 19.887 1.00 0.00 C ATOM 912 CD1 LEU A 56 5.673 -35.569 18.631 1.00 0.00 C ATOM 913 CD2 LEU A 56 4.954 -35.972 21.009 1.00 0.00 C ATOM 0 H LEU A 56 4.101 -32.316 19.734 1.00 0.00 H new ATOM 0 HA LEU A 56 4.881 -33.535 22.159 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.268 -33.150 19.463 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.924 -34.152 20.743 1.00 0.00 H new ATOM 0 HG LEU A 56 4.092 -34.522 19.674 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.032 -36.391 18.314 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.736 -34.829 17.833 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.670 -35.951 18.852 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.304 -36.781 20.674 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.939 -36.373 21.248 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.526 -35.507 21.897 1.00 0.00 H new ATOM 925 N TYR A 57 6.558 -30.842 21.269 1.00 0.00 N ATOM 926 CA TYR A 57 7.499 -29.840 21.754 1.00 0.00 C ATOM 927 C TYR A 57 7.002 -29.224 23.057 1.00 0.00 C ATOM 928 O TYR A 57 7.758 -29.095 24.021 1.00 0.00 O ATOM 929 CB TYR A 57 7.676 -28.734 20.699 1.00 0.00 C ATOM 930 CG TYR A 57 8.698 -29.159 19.661 1.00 0.00 C ATOM 931 CD1 TYR A 57 8.550 -30.377 18.983 1.00 0.00 C ATOM 932 CD2 TYR A 57 9.799 -28.336 19.386 1.00 0.00 C ATOM 933 CE1 TYR A 57 9.502 -30.769 18.034 1.00 0.00 C ATOM 934 CE2 TYR A 57 10.746 -28.728 18.436 1.00 0.00 C ATOM 935 CZ TYR A 57 10.599 -29.945 17.761 1.00 0.00 C ATOM 936 OH TYR A 57 11.539 -30.332 16.830 1.00 0.00 O ATOM 0 H TYR A 57 6.158 -30.641 20.353 1.00 0.00 H new ATOM 0 HA TYR A 57 8.457 -30.327 21.937 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.721 -28.526 20.216 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.998 -27.810 21.180 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.702 -31.013 19.192 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.915 -27.398 19.909 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.389 -31.708 17.513 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.592 -28.091 18.223 1.00 0.00 H new ATOM 0 HH TYR A 57 12.234 -29.644 16.761 1.00 0.00 H new ATOM 946 N GLU A 58 5.734 -28.839 23.078 1.00 0.00 N ATOM 947 CA GLU A 58 5.166 -28.232 24.271 1.00 0.00 C ATOM 948 C GLU A 58 5.086 -29.247 25.401 1.00 0.00 C ATOM 949 O GLU A 58 5.634 -29.017 26.470 1.00 0.00 O ATOM 950 CB GLU A 58 3.774 -27.687 23.967 1.00 0.00 C ATOM 951 CG GLU A 58 3.892 -26.492 23.020 1.00 0.00 C ATOM 952 CD GLU A 58 4.536 -25.314 23.745 1.00 0.00 C ATOM 953 OE1 GLU A 58 4.507 -25.308 24.965 1.00 0.00 O ATOM 954 OE2 GLU A 58 5.056 -24.441 23.070 1.00 0.00 O ATOM 0 H GLU A 58 5.088 -28.934 22.295 1.00 0.00 H new ATOM 0 HA GLU A 58 5.813 -27.412 24.583 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.158 -28.464 23.515 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.280 -27.386 24.891 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.489 -26.765 22.150 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.905 -26.209 22.654 1.00 0.00 H new ATOM 961 N GLU A 59 4.417 -30.372 25.135 1.00 0.00 N ATOM 962 CA GLU A 59 4.264 -31.444 26.124 1.00 0.00 C ATOM 963 C GLU A 59 5.609 -31.786 26.772 1.00 0.00 C ATOM 964 O GLU A 59 5.667 -32.492 27.779 1.00 0.00 O ATOM 965 CB GLU A 59 3.655 -32.694 25.484 1.00 0.00 C ATOM 966 CG GLU A 59 3.281 -33.699 26.585 1.00 0.00 C ATOM 967 CD GLU A 59 2.492 -34.857 25.989 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.049 -34.727 24.861 1.00 0.00 O ATOM 969 OE2 GLU A 59 2.343 -35.857 26.671 1.00 0.00 O ATOM 0 H GLU A 59 3.970 -30.565 24.239 1.00 0.00 H new ATOM 0 HA GLU A 59 3.587 -31.086 26.899 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.771 -32.426 24.905 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.366 -33.144 24.791 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.183 -34.074 27.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.690 -33.204 27.355 1.00 0.00 H new ATOM 976 N SER A 60 6.684 -31.269 26.201 1.00 0.00 N ATOM 977 CA SER A 60 8.016 -31.525 26.739 1.00 0.00 C ATOM 978 C SER A 60 8.120 -31.193 28.235 1.00 0.00 C ATOM 979 O SER A 60 8.664 -31.982 29.011 1.00 0.00 O ATOM 980 CB SER A 60 9.038 -30.672 25.991 1.00 0.00 C ATOM 981 OG SER A 60 8.745 -29.295 26.199 1.00 0.00 O ATOM 0 H SER A 60 6.665 -30.674 25.372 1.00 0.00 H new ATOM 0 HA SER A 60 8.213 -32.589 26.610 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.045 -30.898 26.343 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.013 -30.904 24.926 1.00 0.00 H new ATOM 0 HG SER A 60 8.154 -28.975 25.486 1.00 0.00 H new ATOM 987 N GLN A 61 7.625 -30.014 28.637 1.00 0.00 N ATOM 988 CA GLN A 61 7.709 -29.579 30.051 1.00 0.00 C ATOM 989 C GLN A 61 6.489 -30.005 30.866 1.00 0.00 C ATOM 990 O GLN A 61 6.628 -30.460 32.002 1.00 0.00 O ATOM 991 CB GLN A 61 7.881 -28.042 30.143 1.00 0.00 C ATOM 992 CG GLN A 61 8.471 -27.512 28.841 1.00 0.00 C ATOM 993 CD GLN A 61 8.697 -26.016 28.959 1.00 0.00 C ATOM 994 OE1 GLN A 61 9.109 -25.532 30.013 1.00 0.00 O ATOM 995 NE2 GLN A 61 8.446 -25.249 27.937 1.00 0.00 N ATOM 0 H GLN A 61 7.166 -29.347 28.017 1.00 0.00 H new ATOM 0 HA GLN A 61 8.583 -30.072 30.476 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.918 -27.570 30.336 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.533 -27.789 30.979 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.412 -28.017 28.624 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.797 -27.724 28.011 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.105 -25.655 27.066 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.591 -24.242 28.008 1.00 0.00 H new ATOM 1004 N PRO A 62 5.310 -29.892 30.319 1.00 0.00 N ATOM 1005 CA PRO A 62 4.064 -30.286 31.008 1.00 0.00 C ATOM 1006 C PRO A 62 3.560 -31.651 30.542 1.00 0.00 C ATOM 1007 O PRO A 62 2.680 -31.762 29.688 1.00 0.00 O ATOM 1008 CB PRO A 62 3.088 -29.182 30.553 1.00 0.00 C ATOM 1009 CG PRO A 62 3.618 -28.699 29.211 1.00 0.00 C ATOM 1010 CD PRO A 62 5.005 -29.334 29.015 1.00 0.00 C ATOM 0 HA PRO A 62 4.185 -30.376 32.088 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.074 -29.570 30.458 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.052 -28.368 31.277 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.945 -28.989 28.404 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.687 -27.611 29.193 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.989 -30.103 28.243 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.746 -28.594 28.712 1.00 0.00 H new ATOM 1018 N SER A 63 4.137 -32.690 31.150 1.00 0.00 N ATOM 1019 CA SER A 63 3.768 -34.067 30.854 1.00 0.00 C ATOM 1020 C SER A 63 2.580 -34.482 31.719 1.00 0.00 C ATOM 1021 O SER A 63 1.979 -35.534 31.506 1.00 0.00 O ATOM 1022 CB SER A 63 4.952 -34.996 31.131 1.00 0.00 C ATOM 1023 OG SER A 63 4.592 -36.327 30.789 1.00 0.00 O ATOM 0 H SER A 63 4.868 -32.597 31.856 1.00 0.00 H new ATOM 0 HA SER A 63 3.492 -34.141 29.802 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.820 -34.681 30.552 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.234 -34.942 32.183 1.00 0.00 H new ATOM 0 HG SER A 63 3.623 -36.438 30.881 1.00 0.00 H new ATOM 1029 N SER A 64 2.251 -33.645 32.705 1.00 0.00 N ATOM 1030 CA SER A 64 1.136 -33.930 33.607 1.00 0.00 C ATOM 1031 C SER A 64 -0.190 -33.535 32.967 1.00 0.00 C ATOM 1032 O SER A 64 -1.150 -33.211 33.664 1.00 0.00 O ATOM 1033 CB SER A 64 1.309 -33.171 34.923 1.00 0.00 C ATOM 1034 OG SER A 64 2.376 -33.751 35.661 1.00 0.00 O ATOM 0 H SER A 64 2.738 -32.770 32.898 1.00 0.00 H new ATOM 0 HA SER A 64 1.129 -35.002 33.805 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.517 -32.119 34.725 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.387 -33.210 35.503 1.00 0.00 H new ATOM 0 HG SER A 64 2.492 -33.266 36.505 1.00 0.00 H new ATOM 1040 N GLU A 65 -0.227 -33.561 31.637 1.00 0.00 N ATOM 1041 CA GLU A 65 -1.435 -33.203 30.894 1.00 0.00 C ATOM 1042 C GLU A 65 -1.701 -31.704 31.015 1.00 0.00 C ATOM 1043 O GLU A 65 -2.726 -31.201 30.556 1.00 0.00 O ATOM 1044 CB GLU A 65 -2.637 -33.995 31.437 1.00 0.00 C ATOM 1045 CG GLU A 65 -3.761 -34.036 30.396 1.00 0.00 C ATOM 1046 CD GLU A 65 -4.916 -34.891 30.912 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -4.711 -35.606 31.879 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -5.986 -34.817 30.331 1.00 0.00 O ATOM 0 H GLU A 65 0.565 -33.826 31.051 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.290 -33.451 29.843 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.329 -35.010 31.689 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.000 -33.534 32.356 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.111 -33.025 30.186 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.385 -34.445 29.458 1.00 0.00 H new ATOM 1055 N ARG A 66 -0.766 -30.996 31.637 1.00 0.00 N ATOM 1056 CA ARG A 66 -0.904 -29.556 31.820 1.00 0.00 C ATOM 1057 C ARG A 66 -0.747 -28.819 30.495 1.00 0.00 C ATOM 1058 O ARG A 66 -1.153 -27.665 30.364 1.00 0.00 O ATOM 1059 CB ARG A 66 0.137 -29.058 32.816 1.00 0.00 C ATOM 1060 CG ARG A 66 -0.214 -29.566 34.214 1.00 0.00 C ATOM 1061 CD ARG A 66 0.850 -29.101 35.207 1.00 0.00 C ATOM 1062 NE ARG A 66 0.524 -29.579 36.547 1.00 0.00 N ATOM 1063 CZ ARG A 66 -0.313 -28.907 37.331 1.00 0.00 C ATOM 1064 NH1 ARG A 66 -0.844 -27.790 36.914 1.00 0.00 N ATOM 1065 NH2 ARG A 66 -0.605 -29.363 38.520 1.00 0.00 N ATOM 0 H ARG A 66 0.092 -31.393 32.021 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.903 -29.355 32.207 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.128 -29.408 32.528 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.170 -27.969 32.811 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.194 -29.193 34.513 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.274 -30.654 34.213 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.828 -29.475 34.906 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.911 -28.013 35.205 1.00 0.00 H new ATOM 0 HE ARG A 66 0.946 -30.443 36.888 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.617 -27.432 35.986 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.486 -27.275 37.516 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.191 -30.236 38.848 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.247 -28.846 39.121 1.00 0.00 H new ATOM 1079 N LEU A 67 -0.158 -29.492 29.516 1.00 0.00 N ATOM 1080 CA LEU A 67 0.043 -28.894 28.204 1.00 0.00 C ATOM 1081 C LEU A 67 -1.230 -28.207 27.731 1.00 0.00 C ATOM 1082 O LEU A 67 -1.197 -27.372 26.829 1.00 0.00 O ATOM 1083 CB LEU A 67 0.452 -29.970 27.192 1.00 0.00 C ATOM 1084 CG LEU A 67 -0.689 -31.016 27.030 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -1.461 -30.767 25.725 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -0.106 -32.437 26.999 1.00 0.00 C ATOM 0 H LEU A 67 0.187 -30.448 29.605 1.00 0.00 H new ATOM 0 HA LEU A 67 0.837 -28.152 28.282 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.672 -29.509 26.229 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.364 -30.465 27.525 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.366 -30.915 27.879 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.256 -31.506 25.626 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.896 -29.768 25.744 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.780 -30.850 24.878 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.914 -33.159 26.885 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.584 -32.529 26.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.427 -32.632 27.930 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.352 -28.570 28.346 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.636 -27.987 27.975 1.00 0.00 C ATOM 1100 C ASN A 68 -3.501 -26.474 27.838 1.00 0.00 C ATOM 1101 O ASN A 68 -4.176 -25.853 27.018 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.681 -28.313 29.044 1.00 0.00 C ATOM 1103 CG ASN A 68 -4.998 -29.804 29.028 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -4.800 -30.472 28.013 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -5.478 -30.371 30.102 1.00 0.00 N ATOM 0 H ASN A 68 -2.398 -29.259 29.097 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.953 -28.406 27.020 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.310 -28.023 30.027 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.589 -27.738 28.863 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.689 -31.369 30.101 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.641 -29.816 30.942 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.610 -25.891 28.635 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.381 -24.452 28.579 1.00 0.00 C ATOM 1114 C ALA A 69 -1.791 -24.065 27.222 1.00 0.00 C ATOM 1115 O ALA A 69 -2.136 -23.028 26.656 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.425 -24.031 29.697 1.00 0.00 C ATOM 0 H ALA A 69 -2.040 -26.387 29.320 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.334 -23.940 28.711 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.259 -22.955 29.648 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.860 -24.288 30.663 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.474 -24.550 29.577 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.906 -24.916 26.706 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.273 -24.674 25.409 1.00 0.00 C ATOM 1124 C PHE A 70 -1.173 -25.176 24.288 1.00 0.00 C ATOM 1125 O PHE A 70 -1.017 -24.786 23.131 1.00 0.00 O ATOM 1126 CB PHE A 70 1.081 -25.386 25.347 1.00 0.00 C ATOM 1127 CG PHE A 70 2.073 -24.657 26.225 1.00 0.00 C ATOM 1128 CD1 PHE A 70 2.686 -23.487 25.762 1.00 0.00 C ATOM 1129 CD2 PHE A 70 2.380 -25.151 27.500 1.00 0.00 C ATOM 1130 CE1 PHE A 70 3.605 -22.809 26.573 1.00 0.00 C ATOM 1131 CE2 PHE A 70 3.300 -24.473 28.310 1.00 0.00 C ATOM 1132 CZ PHE A 70 3.912 -23.302 27.847 1.00 0.00 C ATOM 0 H PHE A 70 -0.611 -25.778 27.165 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.118 -23.602 25.287 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.976 -26.419 25.678 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.442 -25.416 24.319 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.450 -23.107 24.779 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.908 -26.054 27.858 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.077 -21.906 26.216 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.537 -24.854 29.292 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.621 -22.779 28.472 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.122 -26.034 24.641 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.045 -26.572 23.655 1.00 0.00 C ATOM 1144 C ARG A 71 -3.839 -25.439 23.021 1.00 0.00 C ATOM 1145 O ARG A 71 -4.126 -25.463 21.824 1.00 0.00 O ATOM 1146 CB ARG A 71 -3.994 -27.581 24.299 1.00 0.00 C ATOM 1147 CG ARG A 71 -4.897 -28.201 23.231 1.00 0.00 C ATOM 1148 CD ARG A 71 -5.797 -29.255 23.880 1.00 0.00 C ATOM 1149 NE ARG A 71 -6.720 -28.626 24.818 1.00 0.00 N ATOM 1150 CZ ARG A 71 -7.860 -28.083 24.402 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -8.156 -28.090 23.131 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -8.680 -27.540 25.261 1.00 0.00 N ATOM 0 H ARG A 71 -2.271 -26.368 25.593 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.471 -27.085 22.883 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.423 -28.361 24.802 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.600 -27.089 25.060 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.504 -27.429 22.759 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.292 -28.656 22.446 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.356 -29.788 23.111 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.187 -29.993 24.400 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.487 -28.602 25.811 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.514 -28.511 22.460 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.030 -27.674 22.809 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.447 -27.532 26.254 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.554 -27.124 24.939 1.00 0.00 H new ATOM 1166 N GLU A 72 -4.188 -24.440 23.827 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.941 -23.297 23.325 1.00 0.00 C ATOM 1168 C GLU A 72 -4.330 -22.827 22.013 1.00 0.00 C ATOM 1169 O GLU A 72 -5.030 -22.609 21.028 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.903 -22.158 24.346 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.677 -22.568 25.600 1.00 0.00 C ATOM 1172 CD GLU A 72 -5.585 -21.469 26.651 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.963 -20.457 26.371 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -6.137 -21.654 27.723 1.00 0.00 O ATOM 0 H GLU A 72 -3.964 -24.399 24.821 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.977 -23.593 23.161 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.871 -21.922 24.604 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.338 -21.256 23.916 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.721 -22.755 25.348 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.273 -23.499 25.999 1.00 0.00 H new ATOM 1181 N LEU A 73 -3.012 -22.705 22.002 1.00 0.00 N ATOM 1182 CA LEU A 73 -2.310 -22.300 20.796 1.00 0.00 C ATOM 1183 C LEU A 73 -2.491 -23.362 19.718 1.00 0.00 C ATOM 1184 O LEU A 73 -2.669 -23.044 18.544 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.818 -22.087 21.091 1.00 0.00 C ATOM 1186 CG LEU A 73 -0.054 -21.795 19.784 1.00 0.00 C ATOM 1187 CD1 LEU A 73 -0.683 -20.597 19.053 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.412 -21.480 20.114 1.00 0.00 C ATOM 0 H LEU A 73 -2.411 -22.879 22.808 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.726 -21.357 20.441 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.692 -21.258 21.787 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.405 -22.973 21.572 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.109 -22.670 19.137 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.133 -20.403 18.132 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.723 -20.821 18.814 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.640 -19.716 19.694 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.956 -21.273 19.192 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.459 -20.608 20.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.863 -22.335 20.617 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.444 -24.625 20.131 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.600 -25.731 19.199 1.00 0.00 C ATOM 1202 C ARG A 74 -4.006 -25.731 18.625 1.00 0.00 C ATOM 1203 O ARG A 74 -4.247 -26.247 17.534 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.325 -27.057 19.913 1.00 0.00 C ATOM 1205 CG ARG A 74 -2.402 -28.205 18.913 1.00 0.00 C ATOM 1206 CD ARG A 74 -2.002 -29.513 19.595 1.00 0.00 C ATOM 1207 NE ARG A 74 -1.920 -30.590 18.612 1.00 0.00 N ATOM 1208 CZ ARG A 74 -3.001 -31.275 18.248 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -4.162 -30.981 18.763 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -2.899 -32.237 17.372 1.00 0.00 N ATOM 0 H ARG A 74 -2.300 -24.905 21.101 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.886 -25.613 18.384 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.340 -27.033 20.378 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.051 -27.208 20.712 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.414 -28.286 18.516 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.742 -28.008 18.068 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.040 -29.392 20.094 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.731 -29.768 20.365 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.017 -30.821 18.197 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.241 -30.226 19.445 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.991 -31.506 18.484 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.991 -32.463 16.967 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.727 -32.762 17.093 1.00 0.00 H new ATOM 1224 N THR A 75 -4.928 -25.135 19.367 1.00 0.00 N ATOM 1225 CA THR A 75 -6.309 -25.054 18.926 1.00 0.00 C ATOM 1226 C THR A 75 -6.391 -24.255 17.633 1.00 0.00 C ATOM 1227 O THR A 75 -7.100 -24.633 16.704 1.00 0.00 O ATOM 1228 CB THR A 75 -7.169 -24.401 19.995 1.00 0.00 C ATOM 1229 OG1 THR A 75 -6.859 -24.961 21.262 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.642 -24.641 19.681 1.00 0.00 C ATOM 0 H THR A 75 -4.744 -24.703 20.273 1.00 0.00 H new ATOM 0 HA THR A 75 -6.681 -26.063 18.749 1.00 0.00 H new ATOM 0 HB THR A 75 -6.971 -23.329 20.013 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.516 -24.658 21.923 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.259 -24.172 20.448 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.882 -24.210 18.709 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.840 -25.713 19.661 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.655 -23.148 17.581 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.646 -22.305 16.393 1.00 0.00 C ATOM 1240 C GLN A 76 -5.116 -23.099 15.200 1.00 0.00 C ATOM 1241 O GLN A 76 -5.687 -23.055 14.110 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.757 -21.076 16.639 1.00 0.00 C ATOM 1243 CG GLN A 76 -5.524 -20.034 17.457 1.00 0.00 C ATOM 1244 CD GLN A 76 -5.864 -20.602 18.829 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -6.914 -21.220 19.004 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -5.032 -20.432 19.820 1.00 0.00 N ATOM 0 H GLN A 76 -5.062 -22.817 18.342 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.662 -21.975 16.178 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.851 -21.372 17.168 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.444 -20.646 15.687 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.924 -19.131 17.566 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.437 -19.749 16.935 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.162 -19.920 19.674 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.251 -20.811 20.741 1.00 0.00 H new ATOM 1255 N LEU A 77 -4.033 -23.838 15.422 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.449 -24.652 14.364 1.00 0.00 C ATOM 1257 C LEU A 77 -4.440 -25.730 13.932 1.00 0.00 C ATOM 1258 O LEU A 77 -4.607 -25.998 12.743 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.145 -25.299 14.862 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.984 -24.306 14.729 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -1.351 -22.988 15.413 1.00 0.00 C ATOM 1262 CD2 LEU A 77 0.262 -24.893 15.394 1.00 0.00 C ATOM 0 H LEU A 77 -3.546 -23.889 16.317 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.223 -24.017 13.507 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.255 -25.605 15.902 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.933 -26.199 14.285 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.785 -24.121 13.673 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.524 -22.285 15.316 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.240 -22.569 14.942 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.551 -23.170 16.469 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.089 -24.190 15.301 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.059 -25.077 16.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.527 -25.831 14.906 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.099 -26.340 14.910 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.073 -27.382 14.621 1.00 0.00 C ATOM 1276 C GLU A 78 -7.313 -26.787 13.959 1.00 0.00 C ATOM 1277 O GLU A 78 -7.855 -27.352 13.011 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.470 -28.093 15.916 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.426 -29.245 15.599 1.00 0.00 C ATOM 1280 CD GLU A 78 -7.762 -30.011 16.872 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -7.402 -29.538 17.937 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -8.370 -31.063 16.764 1.00 0.00 O ATOM 0 H GLU A 78 -4.977 -26.133 15.901 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.622 -28.100 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.582 -28.473 16.421 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.947 -27.389 16.598 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.339 -28.857 15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.971 -29.916 14.871 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.750 -25.641 14.463 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.918 -24.976 13.913 1.00 0.00 C ATOM 1291 C LYS A 79 -8.612 -24.471 12.513 1.00 0.00 C ATOM 1292 O LYS A 79 -9.422 -24.608 11.597 1.00 0.00 O ATOM 1293 CB LYS A 79 -9.325 -23.812 14.816 1.00 0.00 C ATOM 1294 CG LYS A 79 -10.656 -23.234 14.331 1.00 0.00 C ATOM 1295 CD LYS A 79 -11.161 -22.184 15.330 1.00 0.00 C ATOM 1296 CE LYS A 79 -10.308 -20.912 15.243 1.00 0.00 C ATOM 1297 NZ LYS A 79 -11.016 -19.797 15.932 1.00 0.00 N ATOM 0 H LYS A 79 -7.314 -25.156 15.248 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.743 -25.686 13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.418 -24.153 15.847 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.555 -23.041 14.803 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.530 -22.782 13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.392 -24.031 14.224 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.204 -21.946 15.121 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.123 -22.587 16.342 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.335 -21.081 15.704 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.126 -20.653 14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.441 -18.933 15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.934 -19.632 15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.168 -20.047 16.930 1.00 0.00 H new ATOM 1311 N ALA A 80 -7.428 -23.889 12.358 1.00 0.00 N ATOM 1312 CA ALA A 80 -7.009 -23.369 11.067 1.00 0.00 C ATOM 1313 C ALA A 80 -6.805 -24.512 10.082 1.00 0.00 C ATOM 1314 O ALA A 80 -7.021 -24.357 8.880 1.00 0.00 O ATOM 1315 CB ALA A 80 -5.714 -22.567 11.204 1.00 0.00 C ATOM 0 H ALA A 80 -6.747 -23.767 13.107 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.792 -22.709 10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.417 -22.186 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.874 -21.732 11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.927 -23.211 11.597 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.388 -25.662 10.603 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.158 -26.829 9.762 1.00 0.00 C ATOM 1323 C LEU A 81 -7.439 -27.209 9.036 1.00 0.00 C ATOM 1324 O LEU A 81 -7.410 -27.920 8.033 1.00 0.00 O ATOM 1325 CB LEU A 81 -5.671 -28.012 10.612 1.00 0.00 C ATOM 1326 CG LEU A 81 -5.522 -29.273 9.742 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -4.588 -28.992 8.555 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.951 -30.411 10.597 1.00 0.00 C ATOM 0 H LEU A 81 -6.204 -25.809 11.595 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.391 -26.583 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.715 -27.766 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.377 -28.202 11.421 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.499 -29.561 9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.491 -29.892 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.003 -28.187 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.606 -28.697 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.843 -31.307 9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.976 -30.119 10.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.627 -30.617 11.427 1.00 0.00 H new ATOM 1340 N GLY A 82 -8.566 -26.741 9.550 1.00 0.00 N ATOM 1341 CA GLY A 82 -9.843 -27.054 8.933 1.00 0.00 C ATOM 1342 C GLY A 82 -9.934 -26.440 7.540 1.00 0.00 C ATOM 1343 O GLY A 82 -10.595 -26.982 6.655 1.00 0.00 O ATOM 0 H GLY A 82 -8.622 -26.152 10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.966 -28.135 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.655 -26.678 9.555 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.254 -25.312 7.351 1.00 0.00 N ATOM 1348 CA LEU A 83 -9.254 -24.636 6.059 1.00 0.00 C ATOM 1349 C LEU A 83 -10.680 -24.356 5.598 1.00 0.00 C ATOM 1350 O LEU A 83 -11.028 -24.592 4.441 1.00 0.00 O ATOM 1351 CB LEU A 83 -8.540 -25.505 5.022 1.00 0.00 C ATOM 1352 CG LEU A 83 -7.114 -25.808 5.498 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -6.448 -26.792 4.529 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -6.285 -24.511 5.577 1.00 0.00 C ATOM 0 H LEU A 83 -8.700 -24.850 8.072 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.729 -23.686 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.089 -26.435 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.512 -24.992 4.061 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.161 -26.251 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.435 -27.007 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.024 -27.717 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.412 -26.353 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.276 -24.744 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.238 -24.048 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.754 -23.822 6.279 1.00 0.00 H new ATOM 1366 N GLU A 84 -11.501 -23.851 6.511 1.00 0.00 N ATOM 1367 CA GLU A 84 -12.885 -23.540 6.182 1.00 0.00 C ATOM 1368 C GLU A 84 -12.938 -22.425 5.143 1.00 0.00 C ATOM 1369 O GLU A 84 -12.520 -21.297 5.407 1.00 0.00 O ATOM 1370 CB GLU A 84 -13.637 -23.105 7.441 1.00 0.00 C ATOM 1371 CG GLU A 84 -15.116 -22.900 7.108 1.00 0.00 C ATOM 1372 CD GLU A 84 -15.886 -22.521 8.369 1.00 0.00 C ATOM 1373 OE1 GLU A 84 -15.341 -22.692 9.446 1.00 0.00 O ATOM 1374 OE2 GLU A 84 -17.010 -22.067 8.238 1.00 0.00 O ATOM 0 H GLU A 84 -11.235 -23.650 7.475 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.357 -24.433 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.530 -23.860 8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.210 -22.181 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.223 -22.117 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.531 -23.812 6.679 1.00 0.00 H new ATOM 1381 N HIS A 85 -13.451 -22.748 3.962 1.00 0.00 N ATOM 1382 CA HIS A 85 -13.554 -21.765 2.891 1.00 0.00 C ATOM 1383 C HIS A 85 -14.389 -22.316 1.741 1.00 0.00 C ATOM 1384 O HIS A 85 -13.851 -22.743 0.720 1.00 0.00 O ATOM 1385 CB HIS A 85 -12.158 -21.404 2.382 1.00 0.00 C ATOM 1386 CG HIS A 85 -12.263 -20.294 1.373 1.00 0.00 C ATOM 1387 ND1 HIS A 85 -12.461 -20.540 0.022 1.00 0.00 N ATOM 1388 CD2 HIS A 85 -12.197 -18.929 1.499 1.00 0.00 C ATOM 1389 CE1 HIS A 85 -12.506 -19.350 -0.604 1.00 0.00 C ATOM 1390 NE2 HIS A 85 -12.350 -18.335 0.250 1.00 0.00 N ATOM 0 H HIS A 85 -13.800 -23.676 3.723 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.040 -20.872 3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.525 -21.095 3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.687 -22.277 1.930 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -12.555 -21.456 -0.417 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.049 -18.397 2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.651 -19.230 -1.668 1.00 0.00 H new ATOM 1398 N HIS A 86 -15.708 -22.305 1.915 1.00 0.00 N ATOM 1399 CA HIS A 86 -16.614 -22.810 0.885 1.00 0.00 C ATOM 1400 C HIS A 86 -16.943 -21.716 -0.129 1.00 0.00 C ATOM 1401 O HIS A 86 -17.548 -21.985 -1.166 1.00 0.00 O ATOM 1402 CB HIS A 86 -17.905 -23.320 1.532 1.00 0.00 C ATOM 1403 CG HIS A 86 -17.628 -24.609 2.261 1.00 0.00 C ATOM 1404 ND1 HIS A 86 -18.629 -25.334 2.889 1.00 0.00 N ATOM 1405 CD2 HIS A 86 -16.468 -25.315 2.470 1.00 0.00 C ATOM 1406 CE1 HIS A 86 -18.058 -26.422 3.439 1.00 0.00 C ATOM 1407 NE2 HIS A 86 -16.743 -26.460 3.212 1.00 0.00 N ATOM 0 H HIS A 86 -16.172 -21.955 2.753 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.120 -23.630 0.364 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.296 -22.575 2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -18.668 -23.478 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.491 -25.025 2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.598 -27.173 3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -16.082 -27.175 3.517 1.00 0.00 H new ATOM 1415 N HIS A 87 -16.542 -20.483 0.177 1.00 0.00 N ATOM 1416 CA HIS A 87 -16.798 -19.352 -0.717 1.00 0.00 C ATOM 1417 C HIS A 87 -15.665 -18.333 -0.636 1.00 0.00 C ATOM 1418 O HIS A 87 -14.858 -18.359 0.293 1.00 0.00 O ATOM 1419 CB HIS A 87 -18.117 -18.677 -0.342 1.00 0.00 C ATOM 1420 CG HIS A 87 -19.242 -19.665 -0.464 1.00 0.00 C ATOM 1421 ND1 HIS A 87 -19.753 -20.057 -1.691 1.00 0.00 N ATOM 1422 CD2 HIS A 87 -19.968 -20.347 0.479 1.00 0.00 C ATOM 1423 CE1 HIS A 87 -20.745 -20.936 -1.456 1.00 0.00 C ATOM 1424 NE2 HIS A 87 -20.917 -21.147 -0.149 1.00 0.00 N ATOM 0 H HIS A 87 -16.041 -20.241 1.032 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.859 -19.730 -1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -18.064 -18.295 0.677 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -18.298 -17.822 -0.994 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -19.825 -20.274 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -21.330 -21.412 -2.229 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -21.598 -21.763 0.294 1.00 0.00 H new ATOM 1432 N HIS A 88 -15.614 -17.439 -1.621 1.00 0.00 N ATOM 1433 CA HIS A 88 -14.577 -16.414 -1.661 1.00 0.00 C ATOM 1434 C HIS A 88 -14.855 -15.322 -0.634 1.00 0.00 C ATOM 1435 O HIS A 88 -15.983 -15.161 -0.169 1.00 0.00 O ATOM 1436 CB HIS A 88 -14.499 -15.798 -3.059 1.00 0.00 C ATOM 1437 CG HIS A 88 -14.147 -16.865 -4.058 1.00 0.00 C ATOM 1438 ND1 HIS A 88 -12.918 -17.506 -4.054 1.00 0.00 N ATOM 1439 CD2 HIS A 88 -14.852 -17.415 -5.099 1.00 0.00 C ATOM 1440 CE1 HIS A 88 -12.920 -18.397 -5.063 1.00 0.00 C ATOM 1441 NE2 HIS A 88 -14.076 -18.382 -5.732 1.00 0.00 N ATOM 0 H HIS A 88 -16.275 -17.404 -2.397 1.00 0.00 H new ATOM 0 HA HIS A 88 -13.624 -16.885 -1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -15.453 -15.341 -3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -13.750 -15.006 -3.078 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -15.857 -17.139 -5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -12.089 -19.044 -5.302 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -14.335 -18.956 -6.535 1.00 0.00 H new ATOM 1449 N HIS A 89 -13.808 -14.589 -0.274 1.00 0.00 N ATOM 1450 CA HIS A 89 -13.923 -13.524 0.717 1.00 0.00 C ATOM 1451 C HIS A 89 -14.926 -12.448 0.291 1.00 0.00 C ATOM 1452 O HIS A 89 -15.710 -11.971 1.112 1.00 0.00 O ATOM 1453 CB HIS A 89 -12.550 -12.889 0.946 1.00 0.00 C ATOM 1454 CG HIS A 89 -12.017 -12.348 -0.352 1.00 0.00 C ATOM 1455 ND1 HIS A 89 -11.522 -13.176 -1.348 1.00 0.00 N ATOM 1456 CD2 HIS A 89 -11.886 -11.068 -0.829 1.00 0.00 C ATOM 1457 CE1 HIS A 89 -11.119 -12.391 -2.364 1.00 0.00 C ATOM 1458 NE2 HIS A 89 -11.318 -11.097 -2.100 1.00 0.00 N ATOM 0 H HIS A 89 -12.869 -14.712 -0.653 1.00 0.00 H new ATOM 0 HA HIS A 89 -14.291 -13.968 1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.628 -12.087 1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.860 -13.628 1.353 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.179 -10.174 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -10.687 -12.762 -3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -11.101 -10.301 -2.700 1.00 0.00 H new ATOM 1466 N HIS A 90 -14.898 -12.056 -0.981 1.00 0.00 N ATOM 1467 CA HIS A 90 -15.818 -11.025 -1.460 1.00 0.00 C ATOM 1468 C HIS A 90 -17.261 -11.427 -1.179 1.00 0.00 C ATOM 1469 O HIS A 90 -17.895 -10.762 -0.376 1.00 0.00 O ATOM 1470 CB HIS A 90 -15.636 -10.796 -2.962 1.00 0.00 C ATOM 1471 CG HIS A 90 -16.557 -9.691 -3.412 1.00 0.00 C ATOM 1472 ND1 HIS A 90 -16.314 -8.358 -3.113 1.00 0.00 N ATOM 1473 CD2 HIS A 90 -17.725 -9.704 -4.135 1.00 0.00 C ATOM 1474 CE1 HIS A 90 -17.314 -7.632 -3.650 1.00 0.00 C ATOM 1475 NE2 HIS A 90 -18.200 -8.404 -4.284 1.00 0.00 N ATOM 1476 OXT HIS A 90 -17.713 -12.393 -1.771 1.00 0.00 O ATOM 0 H HIS A 90 -14.262 -12.427 -1.687 1.00 0.00 H new ATOM 0 HA HIS A 90 -15.593 -10.100 -0.929 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.601 -10.533 -3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -15.854 -11.713 -3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.203 -10.589 -4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.390 -6.557 -3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.044 -8.105 -4.773 1.00 0.00 H new TER 1484 HIS A 90