USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0.941) USER MOD Set 1.2: A 62 SER OG : rot 81:sc= 0.606 USER MOD Set 2.1: A 53 GLN : amide:sc= 1.48 K(o=2,f=-7.5!) USER MOD Set 2.2: A 56 GLN : amide:sc= 0.5 K(o=2,f=-6.7!) USER MOD Set 3.1: A 48 CYS SG : rot -63:sc= 1.22 USER MOD Set 3.2: A 54 SER OG : rot 111:sc= 2.17 USER MOD Set 3.3: A 71 ASN : amide:sc= 2.24 K(o=5.6,f=-3.1!) USER MOD Set 4.1: A 43 THR OG1 : rot -99:sc= 1.27 USER MOD Set 4.2: A 68 HIS : no HD1:sc= 0.836 K(o=2.1,f=-5.7!) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0347 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.98 K(o=0.98,f=-4.1!) USER MOD Single : A 12 GLN : amide:sc= 0.262 K(o=0.26,f=-6.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0565 X(o=-0.056,f=-0.056) USER MOD Single : A 15 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0053) USER MOD Single : A 17 HIS : no HE2:sc= 0.681 K(o=0.68,f=-2.5!) USER MOD Single : A 19 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.48) USER MOD Single : A 23 ASN : amide:sc= 1.79 K(o=1.8,f=-0.44) USER MOD Single : A 27 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 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0931 X(o=-0.093,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.1) USER MOD Single : A 47 TYR OH : rot 150:sc= 0.331 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 64 MET CE :methyl 173:sc= 0 (180deg=-0.0601) USER MOD Single : A 66 TYR OH : rot -167:sc= 1.27 USER MOD Single : A 67 THR OG1 : rot 160:sc= -0.0905 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 175:sc= 0 (180deg=-0.0516) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 1.51 (180deg=1.51) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.368 1.160 -0.952 1.00 0.00 N ATOM 2 CA ALA A 1 2.986 0.970 -2.369 1.00 0.00 C ATOM 3 C ALA A 1 1.996 2.053 -2.812 1.00 0.00 C ATOM 4 O ALA A 1 1.238 2.593 -2.002 1.00 0.00 O ATOM 5 CB ALA A 1 2.403 -0.432 -2.619 1.00 0.00 C ATOM 0 H1 ALA A 1 4.377 1.405 -0.894 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.801 1.928 -0.540 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.194 0.281 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 1 3.893 1.060 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.135 -0.532 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.146 -1.186 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.515 -0.572 -2.003 1.00 0.00 H new ATOM 13 N GLU A 2 1.986 2.374 -4.107 1.00 0.00 N ATOM 14 CA GLU A 2 1.099 3.339 -4.739 1.00 0.00 C ATOM 15 C GLU A 2 0.913 2.926 -6.204 1.00 0.00 C ATOM 16 O GLU A 2 1.700 2.126 -6.723 1.00 0.00 O ATOM 17 CB GLU A 2 1.701 4.750 -4.634 1.00 0.00 C ATOM 18 CG GLU A 2 3.022 5.008 -5.371 1.00 0.00 C ATOM 19 CD GLU A 2 4.257 4.404 -4.677 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.764 5.021 -3.712 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.759 3.347 -5.124 1.00 0.00 O ATOM 0 H GLU A 2 2.630 1.944 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 2 0.130 3.355 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.963 5.460 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.854 4.974 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.949 4.600 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.165 6.084 -5.472 1.00 0.00 H new ATOM 28 N HIS A 3 -0.100 3.471 -6.880 1.00 0.00 N ATOM 29 CA HIS A 3 -0.211 3.331 -8.328 1.00 0.00 C ATOM 30 C HIS A 3 0.774 4.294 -8.998 1.00 0.00 C ATOM 31 O HIS A 3 1.062 5.369 -8.465 1.00 0.00 O ATOM 32 CB HIS A 3 -1.653 3.590 -8.786 1.00 0.00 C ATOM 33 CG HIS A 3 -2.524 2.364 -8.648 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.166 1.928 -7.511 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.795 1.451 -9.634 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.810 0.788 -7.805 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.614 0.449 -9.094 1.00 0.00 N ATOM 0 H HIS A 3 -0.850 4.010 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 3 0.040 2.312 -8.621 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.078 4.404 -8.199 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.649 3.916 -9.826 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -3.154 2.391 -6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.439 1.496 -10.653 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.404 0.220 -7.104 1.00 0.00 H new ATOM 45 N TRP A 4 1.242 3.938 -10.194 1.00 0.00 N ATOM 46 CA TRP A 4 2.174 4.734 -10.982 1.00 0.00 C ATOM 47 C TRP A 4 1.568 4.936 -12.357 1.00 0.00 C ATOM 48 O TRP A 4 1.064 3.985 -12.955 1.00 0.00 O ATOM 49 CB TRP A 4 3.528 4.025 -11.092 1.00 0.00 C ATOM 50 CG TRP A 4 4.395 4.189 -9.885 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.359 3.426 -8.771 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.380 5.233 -9.620 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.249 3.919 -7.842 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.907 5.038 -8.308 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.860 6.344 -10.350 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.863 5.901 -7.751 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.817 7.217 -9.799 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.317 6.999 -8.502 1.00 0.00 C ATOM 0 H TRP A 4 0.975 3.066 -10.650 1.00 0.00 H new ATOM 0 HA TRP A 4 2.345 5.697 -10.501 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.358 2.962 -11.264 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.059 4.408 -11.964 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.728 2.561 -8.630 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.403 3.507 -6.922 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.486 6.526 -11.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.246 5.724 -6.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.170 8.059 -10.375 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.049 7.674 -8.084 1.00 0.00 H new ATOM 69 N ILE A 5 1.635 6.164 -12.864 1.00 0.00 N ATOM 70 CA ILE A 5 0.981 6.558 -14.098 1.00 0.00 C ATOM 71 C ILE A 5 1.993 7.407 -14.872 1.00 0.00 C ATOM 72 O ILE A 5 2.538 8.377 -14.341 1.00 0.00 O ATOM 73 CB ILE A 5 -0.319 7.343 -13.782 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.277 6.709 -12.742 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.071 7.642 -15.084 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.998 5.425 -13.172 1.00 0.00 C ATOM 0 H ILE A 5 2.154 6.921 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 5 0.683 5.697 -14.696 1.00 0.00 H new ATOM 0 HB ILE A 5 0.024 8.257 -13.297 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.706 6.494 -11.838 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.030 7.450 -12.475 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.984 8.194 -14.859 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.439 8.240 -15.740 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.326 6.706 -15.580 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.638 5.078 -12.361 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.606 5.627 -14.054 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.262 4.656 -13.407 1.00 0.00 H new ATOM 88 N ASP A 6 2.265 7.026 -16.118 1.00 0.00 N ATOM 89 CA ASP A 6 2.998 7.860 -17.064 1.00 0.00 C ATOM 90 C ASP A 6 1.959 8.779 -17.688 1.00 0.00 C ATOM 91 O ASP A 6 1.004 8.292 -18.294 1.00 0.00 O ATOM 92 CB ASP A 6 3.644 7.001 -18.158 1.00 0.00 C ATOM 93 CG ASP A 6 3.979 7.799 -19.431 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.259 9.016 -19.362 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.939 7.177 -20.513 1.00 0.00 O ATOM 0 H ASP A 6 1.981 6.124 -16.501 1.00 0.00 H new ATOM 0 HA ASP A 6 3.797 8.411 -16.568 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.557 6.551 -17.767 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.971 6.183 -18.415 1.00 0.00 H new ATOM 100 N VAL A 7 2.140 10.089 -17.549 1.00 0.00 N ATOM 101 CA VAL A 7 1.165 11.078 -18.011 1.00 0.00 C ATOM 102 C VAL A 7 1.674 11.897 -19.202 1.00 0.00 C ATOM 103 O VAL A 7 1.160 12.986 -19.458 1.00 0.00 O ATOM 104 CB VAL A 7 0.626 11.922 -16.838 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.029 11.055 -15.754 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.730 12.768 -16.191 1.00 0.00 C ATOM 0 H VAL A 7 2.967 10.497 -17.113 1.00 0.00 H new ATOM 0 HA VAL A 7 0.304 10.539 -18.408 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.128 12.580 -17.269 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.393 11.693 -14.949 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.864 10.502 -16.185 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.704 10.353 -15.357 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.310 13.348 -15.369 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.514 12.113 -15.810 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.152 13.445 -16.934 1.00 0.00 H new ATOM 116 N ARG A 8 2.654 11.404 -19.964 1.00 0.00 N ATOM 117 CA ARG A 8 3.087 12.059 -21.199 1.00 0.00 C ATOM 118 C ARG A 8 2.626 11.257 -22.410 1.00 0.00 C ATOM 119 O ARG A 8 1.848 10.309 -22.282 1.00 0.00 O ATOM 120 CB ARG A 8 4.608 12.296 -21.174 1.00 0.00 C ATOM 121 CG ARG A 8 4.914 13.749 -21.564 1.00 0.00 C ATOM 122 CD ARG A 8 6.406 13.982 -21.805 1.00 0.00 C ATOM 123 NE ARG A 8 6.692 15.431 -21.798 1.00 0.00 N ATOM 124 CZ ARG A 8 7.323 16.150 -22.734 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.887 15.573 -23.792 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.374 17.466 -22.578 1.00 0.00 N ATOM 0 H ARG A 8 3.164 10.549 -19.745 1.00 0.00 H new ATOM 0 HA ARG A 8 2.620 13.041 -21.277 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.002 12.086 -20.180 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.103 11.613 -21.864 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.358 14.006 -22.466 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.567 14.416 -20.775 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.991 13.483 -21.033 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.702 13.548 -22.760 1.00 0.00 H new ATOM 0 HE ARG A 8 6.369 15.947 -20.980 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.844 14.560 -23.904 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.362 16.144 -24.491 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.940 17.900 -21.763 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.847 18.044 -23.273 1.00 0.00 H new ATOM 140 N VAL A 9 3.062 11.667 -23.600 1.00 0.00 N ATOM 141 CA VAL A 9 2.778 10.936 -24.828 1.00 0.00 C ATOM 142 C VAL A 9 3.396 9.530 -24.752 1.00 0.00 C ATOM 143 O VAL A 9 4.445 9.359 -24.123 1.00 0.00 O ATOM 144 CB VAL A 9 3.295 11.721 -26.053 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.381 12.919 -26.345 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.743 12.224 -25.898 1.00 0.00 C ATOM 0 H VAL A 9 3.619 12.511 -23.737 1.00 0.00 H new ATOM 0 HA VAL A 9 1.700 10.825 -24.942 1.00 0.00 H new ATOM 0 HB VAL A 9 3.284 11.015 -26.883 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.759 13.462 -27.211 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.371 12.564 -26.551 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.363 13.582 -25.480 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.038 12.766 -26.796 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.807 12.888 -25.036 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.410 11.374 -25.752 1.00 0.00 H new ATOM 156 N PRO A 10 2.824 8.531 -25.448 1.00 0.00 N ATOM 157 CA PRO A 10 3.381 7.182 -25.491 1.00 0.00 C ATOM 158 C PRO A 10 4.771 7.118 -26.136 1.00 0.00 C ATOM 159 O PRO A 10 5.458 6.110 -25.997 1.00 0.00 O ATOM 160 CB PRO A 10 2.367 6.339 -26.262 1.00 0.00 C ATOM 161 CG PRO A 10 1.577 7.350 -27.090 1.00 0.00 C ATOM 162 CD PRO A 10 1.585 8.597 -26.212 1.00 0.00 C ATOM 0 HA PRO A 10 3.538 6.809 -24.479 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.863 5.606 -26.899 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.716 5.785 -25.586 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.046 7.534 -28.056 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.563 7.004 -27.289 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.546 9.503 -26.817 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.718 8.617 -25.552 1.00 0.00 H new ATOM 170 N GLU A 11 5.210 8.178 -26.819 1.00 0.00 N ATOM 171 CA GLU A 11 6.560 8.287 -27.352 1.00 0.00 C ATOM 172 C GLU A 11 7.613 8.091 -26.249 1.00 0.00 C ATOM 173 O GLU A 11 8.599 7.402 -26.513 1.00 0.00 O ATOM 174 CB GLU A 11 6.713 9.634 -28.075 1.00 0.00 C ATOM 175 CG GLU A 11 8.027 9.731 -28.860 1.00 0.00 C ATOM 176 CD GLU A 11 8.115 11.047 -29.654 1.00 0.00 C ATOM 177 OE1 GLU A 11 8.626 12.056 -29.116 1.00 0.00 O ATOM 178 OE2 GLU A 11 7.695 11.083 -30.833 1.00 0.00 O ATOM 0 H GLU A 11 4.627 8.991 -27.017 1.00 0.00 H new ATOM 0 HA GLU A 11 6.729 7.490 -28.076 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.874 9.774 -28.757 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.669 10.442 -27.345 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.869 9.664 -28.171 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.106 8.886 -29.544 1.00 0.00 H new ATOM 185 N GLN A 12 7.417 8.608 -25.018 1.00 0.00 N ATOM 186 CA GLN A 12 8.347 8.259 -23.940 1.00 0.00 C ATOM 187 C GLN A 12 8.226 6.769 -23.609 1.00 0.00 C ATOM 188 O GLN A 12 9.236 6.073 -23.570 1.00 0.00 O ATOM 189 CB GLN A 12 8.232 9.154 -22.688 1.00 0.00 C ATOM 190 CG GLN A 12 6.973 9.029 -21.808 1.00 0.00 C ATOM 191 CD GLN A 12 7.221 9.627 -20.426 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.303 10.843 -20.277 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.414 8.800 -19.405 1.00 0.00 N ATOM 0 H GLN A 12 6.659 9.239 -24.759 1.00 0.00 H new ATOM 0 HA GLN A 12 9.352 8.457 -24.312 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.098 8.955 -22.057 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.307 10.191 -23.014 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.137 9.539 -22.286 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.693 7.980 -21.711 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.342 7.792 -19.545 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.634 9.173 -18.481 1.00 0.00 H new ATOM 202 N TYR A 13 6.995 6.273 -23.441 1.00 0.00 N ATOM 203 CA TYR A 13 6.694 4.927 -22.965 1.00 0.00 C ATOM 204 C TYR A 13 7.357 3.866 -23.844 1.00 0.00 C ATOM 205 O TYR A 13 7.846 2.853 -23.339 1.00 0.00 O ATOM 206 CB TYR A 13 5.166 4.760 -22.937 1.00 0.00 C ATOM 207 CG TYR A 13 4.632 3.569 -22.167 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.346 3.693 -20.794 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.334 2.367 -22.839 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.754 2.629 -20.093 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.736 1.299 -22.146 1.00 0.00 C ATOM 212 CZ TYR A 13 3.435 1.429 -20.769 1.00 0.00 C ATOM 213 OH TYR A 13 2.811 0.423 -20.094 1.00 0.00 O ATOM 0 H TYR A 13 6.157 6.819 -23.640 1.00 0.00 H new ATOM 0 HA TYR A 13 7.096 4.791 -21.961 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.731 5.665 -22.512 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.811 4.689 -23.965 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.583 4.611 -20.277 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.565 2.265 -23.889 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.543 2.728 -19.038 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.507 0.380 -22.665 1.00 0.00 H new ATOM 0 HH TYR A 13 2.660 -0.333 -20.699 1.00 0.00 H new ATOM 223 N GLN A 14 7.390 4.134 -25.152 1.00 0.00 N ATOM 224 CA GLN A 14 8.023 3.328 -26.174 1.00 0.00 C ATOM 225 C GLN A 14 9.521 3.161 -25.891 1.00 0.00 C ATOM 226 O GLN A 14 9.997 2.024 -25.855 1.00 0.00 O ATOM 227 CB GLN A 14 7.746 4.017 -27.523 1.00 0.00 C ATOM 228 CG GLN A 14 8.245 3.260 -28.757 1.00 0.00 C ATOM 229 CD GLN A 14 7.575 1.894 -28.925 1.00 0.00 C ATOM 230 OE1 GLN A 14 8.189 0.851 -28.718 1.00 0.00 O ATOM 231 NE2 GLN A 14 6.302 1.863 -29.286 1.00 0.00 N ATOM 0 H GLN A 14 6.948 4.968 -25.538 1.00 0.00 H new ATOM 0 HA GLN A 14 7.617 2.317 -26.191 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.671 4.170 -27.621 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.209 5.004 -27.510 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.060 3.862 -29.647 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.324 3.124 -28.683 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.799 2.734 -29.456 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.824 0.968 -29.394 1.00 0.00 H new ATOM 240 N GLN A 15 10.264 4.258 -25.686 1.00 0.00 N ATOM 241 CA GLN A 15 11.703 4.172 -25.448 1.00 0.00 C ATOM 242 C GLN A 15 11.977 3.609 -24.049 1.00 0.00 C ATOM 243 O GLN A 15 12.735 2.645 -23.942 1.00 0.00 O ATOM 244 CB GLN A 15 12.439 5.493 -25.743 1.00 0.00 C ATOM 245 CG GLN A 15 11.880 6.754 -25.073 1.00 0.00 C ATOM 246 CD GLN A 15 12.779 7.967 -25.314 1.00 0.00 C ATOM 247 OE1 GLN A 15 12.812 8.537 -26.403 1.00 0.00 O ATOM 248 NE2 GLN A 15 13.528 8.389 -24.311 1.00 0.00 N ATOM 0 H GLN A 15 9.891 5.207 -25.681 1.00 0.00 H new ATOM 0 HA GLN A 15 12.125 3.467 -26.165 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.480 5.379 -25.439 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.437 5.651 -26.822 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.881 6.959 -25.458 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.779 6.583 -24.001 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.493 7.909 -23.412 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.141 9.195 -24.436 1.00 0.00 H new ATOM 257 N GLU A 16 11.337 4.130 -22.996 1.00 0.00 N ATOM 258 CA GLU A 16 11.325 3.506 -21.679 1.00 0.00 C ATOM 259 C GLU A 16 10.203 4.079 -20.810 1.00 0.00 C ATOM 260 O GLU A 16 9.840 5.251 -20.917 1.00 0.00 O ATOM 261 CB GLU A 16 12.679 3.570 -20.938 1.00 0.00 C ATOM 262 CG GLU A 16 13.199 4.965 -20.556 1.00 0.00 C ATOM 263 CD GLU A 16 13.811 5.754 -21.730 1.00 0.00 C ATOM 264 OE1 GLU A 16 14.761 5.261 -22.380 1.00 0.00 O ATOM 265 OE2 GLU A 16 13.402 6.913 -21.960 1.00 0.00 O ATOM 0 H GLU A 16 10.811 5.003 -23.040 1.00 0.00 H new ATOM 0 HA GLU A 16 11.135 2.448 -21.859 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.595 2.978 -20.026 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.431 3.088 -21.563 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.378 5.543 -20.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.950 4.859 -19.773 1.00 0.00 H new ATOM 272 N HIS A 17 9.705 3.264 -19.885 1.00 0.00 N ATOM 273 CA HIS A 17 8.790 3.666 -18.831 1.00 0.00 C ATOM 274 C HIS A 17 9.205 2.965 -17.543 1.00 0.00 C ATOM 275 O HIS A 17 9.809 1.889 -17.577 1.00 0.00 O ATOM 276 CB HIS A 17 7.340 3.337 -19.219 1.00 0.00 C ATOM 277 CG HIS A 17 7.079 1.904 -19.618 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.210 1.362 -20.879 1.00 0.00 N ATOM 279 CD2 HIS A 17 6.572 0.921 -18.808 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.798 0.085 -20.821 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.395 -0.236 -19.577 1.00 0.00 N ATOM 0 H HIS A 17 9.938 2.272 -19.851 1.00 0.00 H new ATOM 0 HA HIS A 17 8.837 4.744 -18.680 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.693 3.584 -18.377 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.049 3.984 -20.046 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.558 1.845 -21.708 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.347 1.022 -17.756 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.791 -0.594 -21.661 1.00 0.00 H new ATOM 289 N VAL A 18 8.884 3.587 -16.409 1.00 0.00 N ATOM 290 CA VAL A 18 9.050 3.019 -15.078 1.00 0.00 C ATOM 291 C VAL A 18 8.305 1.684 -15.044 1.00 0.00 C ATOM 292 O VAL A 18 7.132 1.614 -15.420 1.00 0.00 O ATOM 293 CB VAL A 18 8.539 4.045 -14.043 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.381 3.455 -12.634 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.504 5.240 -13.965 1.00 0.00 C ATOM 0 H VAL A 18 8.490 4.528 -16.394 1.00 0.00 H new ATOM 0 HA VAL A 18 10.092 2.816 -14.831 1.00 0.00 H new ATOM 0 HB VAL A 18 7.553 4.358 -14.387 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.019 4.227 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.667 2.632 -12.662 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.345 3.087 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.135 5.958 -13.233 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.492 4.891 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.569 5.719 -14.942 1.00 0.00 H new ATOM 305 N GLN A 19 8.987 0.622 -14.610 1.00 0.00 N ATOM 306 CA GLN A 19 8.413 -0.709 -14.516 1.00 0.00 C ATOM 307 C GLN A 19 7.300 -0.663 -13.462 1.00 0.00 C ATOM 308 O GLN A 19 7.576 -0.549 -12.266 1.00 0.00 O ATOM 309 CB GLN A 19 9.528 -1.730 -14.208 1.00 0.00 C ATOM 310 CG GLN A 19 9.149 -3.185 -14.530 1.00 0.00 C ATOM 311 CD GLN A 19 8.047 -3.742 -13.627 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.299 -4.178 -12.506 1.00 0.00 O ATOM 313 NE2 GLN A 19 6.803 -3.730 -14.081 1.00 0.00 N ATOM 0 H GLN A 19 9.962 0.669 -14.313 1.00 0.00 H new ATOM 0 HA GLN A 19 7.965 -1.034 -15.455 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.419 -1.463 -14.777 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.791 -1.659 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.823 -3.246 -15.568 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.036 -3.812 -14.437 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.604 -3.366 -15.013 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.044 -4.085 -13.499 1.00 0.00 H new ATOM 322 N GLY A 20 6.046 -0.712 -13.920 1.00 0.00 N ATOM 323 CA GLY A 20 4.849 -0.675 -13.085 1.00 0.00 C ATOM 324 C GLY A 20 3.914 0.463 -13.495 1.00 0.00 C ATOM 325 O GLY A 20 2.735 0.440 -13.139 1.00 0.00 O ATOM 0 H GLY A 20 5.832 -0.781 -14.915 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.322 -1.626 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.136 -0.553 -12.041 1.00 0.00 H new ATOM 329 N ALA A 21 4.422 1.448 -14.245 1.00 0.00 N ATOM 330 CA ALA A 21 3.611 2.534 -14.784 1.00 0.00 C ATOM 331 C ALA A 21 2.812 2.061 -15.996 1.00 0.00 C ATOM 332 O ALA A 21 3.119 1.037 -16.610 1.00 0.00 O ATOM 333 CB ALA A 21 4.495 3.731 -15.158 1.00 0.00 C ATOM 0 H ALA A 21 5.409 1.510 -14.493 1.00 0.00 H new ATOM 0 HA ALA A 21 2.908 2.850 -14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.873 4.532 -15.558 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.019 4.087 -14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.222 3.425 -15.911 1.00 0.00 H new ATOM 339 N ILE A 22 1.817 2.869 -16.359 1.00 0.00 N ATOM 340 CA ILE A 22 0.914 2.671 -17.482 1.00 0.00 C ATOM 341 C ILE A 22 0.701 4.043 -18.131 1.00 0.00 C ATOM 342 O ILE A 22 0.612 5.047 -17.421 1.00 0.00 O ATOM 343 CB ILE A 22 -0.404 2.018 -16.997 1.00 0.00 C ATOM 344 CG1 ILE A 22 -1.053 2.747 -15.792 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.164 0.529 -16.681 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.413 2.172 -15.377 1.00 0.00 C ATOM 0 H ILE A 22 1.611 3.726 -15.846 1.00 0.00 H new ATOM 0 HA ILE A 22 1.328 1.988 -18.224 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.121 2.109 -17.813 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.374 2.697 -14.941 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.176 3.801 -16.041 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.094 0.075 -16.340 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.182 0.018 -17.579 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.591 0.440 -15.900 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.802 2.735 -14.528 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.110 2.246 -16.212 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.295 1.126 -15.095 1.00 0.00 H new ATOM 358 N ASN A 23 0.681 4.100 -19.466 1.00 0.00 N ATOM 359 CA ASN A 23 0.562 5.356 -20.205 1.00 0.00 C ATOM 360 C ASN A 23 -0.888 5.839 -20.182 1.00 0.00 C ATOM 361 O ASN A 23 -1.765 5.177 -20.741 1.00 0.00 O ATOM 362 CB ASN A 23 1.042 5.194 -21.656 1.00 0.00 C ATOM 363 CG ASN A 23 0.876 6.508 -22.411 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.018 6.658 -23.235 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.712 7.486 -22.121 1.00 0.00 N ATOM 0 H ASN A 23 0.747 3.276 -20.063 1.00 0.00 H new ATOM 0 HA ASN A 23 1.197 6.098 -19.720 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.088 4.887 -21.669 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.473 4.407 -22.150 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.621 8.389 -22.586 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.449 7.339 -21.432 1.00 0.00 H new ATOM 372 N ILE A 24 -1.133 6.990 -19.556 1.00 0.00 N ATOM 373 CA ILE A 24 -2.422 7.674 -19.490 1.00 0.00 C ATOM 374 C ILE A 24 -2.111 9.179 -19.614 1.00 0.00 C ATOM 375 O ILE A 24 -1.933 9.843 -18.591 1.00 0.00 O ATOM 376 CB ILE A 24 -3.193 7.322 -18.191 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.306 5.797 -17.955 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.593 7.955 -18.250 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.172 5.409 -16.753 1.00 0.00 C ATOM 0 H ILE A 24 -0.401 7.495 -19.057 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.085 7.357 -20.294 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.628 7.725 -17.351 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.718 5.332 -18.850 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.306 5.387 -17.815 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.141 7.712 -17.340 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.499 9.037 -18.339 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.132 7.565 -19.113 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.198 4.323 -16.659 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.750 5.842 -15.846 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.185 5.785 -16.898 1.00 0.00 H new ATOM 391 N PRO A 25 -1.961 9.714 -20.841 1.00 0.00 N ATOM 392 CA PRO A 25 -1.488 11.075 -21.087 1.00 0.00 C ATOM 393 C PRO A 25 -2.258 12.147 -20.310 1.00 0.00 C ATOM 394 O PRO A 25 -3.462 12.020 -20.083 1.00 0.00 O ATOM 395 CB PRO A 25 -1.618 11.293 -22.599 1.00 0.00 C ATOM 396 CG PRO A 25 -1.500 9.881 -23.167 1.00 0.00 C ATOM 397 CD PRO A 25 -2.199 9.036 -22.107 1.00 0.00 C ATOM 0 HA PRO A 25 -0.461 11.175 -20.737 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.571 11.753 -22.859 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.834 11.947 -22.980 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.985 9.794 -24.139 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.460 9.584 -23.301 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.266 8.955 -22.313 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.800 8.022 -22.089 1.00 0.00 H new ATOM 405 N LEU A 26 -1.580 13.253 -19.989 1.00 0.00 N ATOM 406 CA LEU A 26 -2.108 14.410 -19.263 1.00 0.00 C ATOM 407 C LEU A 26 -3.452 14.888 -19.817 1.00 0.00 C ATOM 408 O LEU A 26 -4.354 15.213 -19.048 1.00 0.00 O ATOM 409 CB LEU A 26 -1.055 15.536 -19.336 1.00 0.00 C ATOM 410 CG LEU A 26 -1.503 16.888 -18.744 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.746 16.789 -17.238 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.430 17.946 -19.006 1.00 0.00 C ATOM 0 H LEU A 26 -0.599 13.371 -20.242 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.296 14.122 -18.229 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.157 15.207 -18.813 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.779 15.687 -20.380 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.439 17.168 -19.227 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.060 17.760 -16.856 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.526 16.053 -17.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.826 16.483 -16.740 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.750 18.900 -18.587 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.505 17.639 -18.538 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.280 18.054 -20.080 1.00 0.00 H new ATOM 424 N LYS A 27 -3.599 14.908 -21.146 1.00 0.00 N ATOM 425 CA LYS A 27 -4.814 15.374 -21.816 1.00 0.00 C ATOM 426 C LYS A 27 -6.032 14.488 -21.524 1.00 0.00 C ATOM 427 O LYS A 27 -7.153 14.915 -21.796 1.00 0.00 O ATOM 428 CB LYS A 27 -4.568 15.471 -23.334 1.00 0.00 C ATOM 429 CG LYS A 27 -3.425 16.423 -23.741 1.00 0.00 C ATOM 430 CD LYS A 27 -3.590 17.886 -23.293 1.00 0.00 C ATOM 431 CE LYS A 27 -4.863 18.529 -23.867 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.983 19.963 -23.501 1.00 0.00 N ATOM 0 H LYS A 27 -2.871 14.598 -21.790 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.046 16.361 -21.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.347 14.475 -23.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.487 15.801 -23.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.492 16.038 -23.330 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.328 16.402 -24.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.622 17.929 -22.204 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.720 18.461 -23.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.859 18.432 -24.953 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.737 17.989 -23.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.856 20.354 -23.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.014 20.056 -22.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.163 20.485 -23.871 1.00 0.00 H new ATOM 446 N GLU A 28 -5.841 13.281 -20.984 1.00 0.00 N ATOM 447 CA GLU A 28 -6.898 12.296 -20.775 1.00 0.00 C ATOM 448 C GLU A 28 -6.883 11.716 -19.355 1.00 0.00 C ATOM 449 O GLU A 28 -7.828 11.017 -18.993 1.00 0.00 O ATOM 450 CB GLU A 28 -6.782 11.175 -21.821 1.00 0.00 C ATOM 451 CG GLU A 28 -6.939 11.669 -23.268 1.00 0.00 C ATOM 452 CD GLU A 28 -6.962 10.507 -24.274 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.813 9.599 -24.131 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.145 10.499 -25.223 1.00 0.00 O ATOM 0 H GLU A 28 -4.925 12.957 -20.674 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.853 12.807 -20.896 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.812 10.688 -21.715 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.542 10.420 -21.619 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.861 12.244 -23.357 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.118 12.343 -23.512 1.00 0.00 H new ATOM 461 N VAL A 29 -5.874 12.007 -18.520 1.00 0.00 N ATOM 462 CA VAL A 29 -5.779 11.500 -17.153 1.00 0.00 C ATOM 463 C VAL A 29 -7.062 11.819 -16.364 1.00 0.00 C ATOM 464 O VAL A 29 -7.581 10.954 -15.659 1.00 0.00 O ATOM 465 CB VAL A 29 -4.459 11.999 -16.498 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.524 13.435 -15.953 1.00 0.00 C ATOM 467 CG2 VAL A 29 -4.017 11.042 -15.384 1.00 0.00 C ATOM 0 H VAL A 29 -5.094 12.609 -18.784 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.717 10.412 -17.150 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.724 12.012 -17.303 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.562 13.701 -15.514 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.755 14.123 -16.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.301 13.500 -15.191 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.092 11.406 -14.937 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.793 10.989 -14.620 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.851 10.049 -15.802 1.00 0.00 H new ATOM 477 N LYS A 30 -7.642 13.010 -16.576 1.00 0.00 N ATOM 478 CA LYS A 30 -8.878 13.461 -15.934 1.00 0.00 C ATOM 479 C LYS A 30 -10.068 12.537 -16.227 1.00 0.00 C ATOM 480 O LYS A 30 -10.997 12.456 -15.426 1.00 0.00 O ATOM 481 CB LYS A 30 -9.173 14.901 -16.392 1.00 0.00 C ATOM 482 CG LYS A 30 -10.137 15.627 -15.439 1.00 0.00 C ATOM 483 CD LYS A 30 -10.329 17.106 -15.799 1.00 0.00 C ATOM 484 CE LYS A 30 -11.042 17.286 -17.148 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.296 18.714 -17.463 1.00 0.00 N ATOM 0 H LYS A 30 -7.251 13.701 -17.216 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.735 13.432 -14.854 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.239 15.459 -16.456 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.601 14.881 -17.394 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.104 15.125 -15.457 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.758 15.552 -14.420 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.907 17.597 -15.016 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.357 17.599 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.436 16.844 -17.939 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.988 16.746 -17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.778 18.786 -18.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.896 19.131 -16.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.392 19.226 -17.505 1.00 0.00 H new ATOM 499 N GLU A 31 -10.049 11.825 -17.355 1.00 0.00 N ATOM 500 CA GLU A 31 -11.156 10.999 -17.827 1.00 0.00 C ATOM 501 C GLU A 31 -10.865 9.503 -17.625 1.00 0.00 C ATOM 502 O GLU A 31 -11.719 8.670 -17.934 1.00 0.00 O ATOM 503 CB GLU A 31 -11.411 11.301 -19.318 1.00 0.00 C ATOM 504 CG GLU A 31 -11.730 12.774 -19.627 1.00 0.00 C ATOM 505 CD GLU A 31 -12.960 13.302 -18.865 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.072 12.750 -19.030 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.832 14.300 -18.122 1.00 0.00 O ATOM 0 H GLU A 31 -9.243 11.808 -17.979 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.046 11.239 -17.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.532 11.005 -19.891 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.240 10.683 -19.664 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.864 13.387 -19.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.899 12.885 -20.698 1.00 0.00 H new ATOM 514 N ARG A 32 -9.678 9.142 -17.113 1.00 0.00 N ATOM 515 CA ARG A 32 -9.192 7.757 -17.096 1.00 0.00 C ATOM 516 C ARG A 32 -8.662 7.327 -15.732 1.00 0.00 C ATOM 517 O ARG A 32 -8.686 6.133 -15.429 1.00 0.00 O ATOM 518 CB ARG A 32 -8.101 7.602 -18.167 1.00 0.00 C ATOM 519 CG ARG A 32 -8.627 7.741 -19.606 1.00 0.00 C ATOM 520 CD ARG A 32 -7.467 7.643 -20.605 1.00 0.00 C ATOM 521 NE ARG A 32 -7.925 7.713 -22.003 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.411 6.719 -22.753 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.592 5.495 -22.261 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.707 6.993 -24.014 1.00 0.00 N ATOM 0 H ARG A 32 -9.026 9.808 -16.697 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.038 7.104 -17.312 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.328 8.352 -17.998 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.629 6.626 -18.054 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.360 6.960 -19.810 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.138 8.696 -19.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.759 8.450 -20.416 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.932 6.706 -20.447 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.864 8.627 -22.451 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.358 5.297 -21.288 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.965 4.756 -22.857 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.562 7.934 -24.379 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.080 6.263 -24.620 1.00 0.00 H new ATOM 538 N ILE A 33 -8.235 8.257 -14.872 1.00 0.00 N ATOM 539 CA ILE A 33 -7.809 7.921 -13.515 1.00 0.00 C ATOM 540 C ILE A 33 -8.942 7.217 -12.752 1.00 0.00 C ATOM 541 O ILE A 33 -8.673 6.291 -11.992 1.00 0.00 O ATOM 542 CB ILE A 33 -7.277 9.180 -12.796 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.514 8.824 -11.502 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.404 10.187 -12.505 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.159 8.150 -11.751 1.00 0.00 C ATOM 0 H ILE A 33 -8.176 9.251 -15.095 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.982 7.212 -13.556 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.571 9.655 -13.477 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.356 9.733 -10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.133 8.162 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.991 11.059 -11.999 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.866 10.497 -13.442 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.154 9.719 -11.868 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.681 7.930 -10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.310 7.223 -12.304 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.521 8.818 -12.330 1.00 0.00 H new ATOM 557 N ALA A 34 -10.205 7.584 -13.014 1.00 0.00 N ATOM 558 CA ALA A 34 -11.376 7.016 -12.353 1.00 0.00 C ATOM 559 C ALA A 34 -11.543 5.508 -12.599 1.00 0.00 C ATOM 560 O ALA A 34 -12.284 4.858 -11.861 1.00 0.00 O ATOM 561 CB ALA A 34 -12.629 7.773 -12.809 1.00 0.00 C ATOM 0 H ALA A 34 -10.439 8.297 -13.705 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.230 7.132 -11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.507 7.353 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.534 8.826 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.738 7.679 -13.889 1.00 0.00 H new ATOM 567 N THR A 35 -10.870 4.944 -13.604 1.00 0.00 N ATOM 568 CA THR A 35 -10.910 3.526 -13.935 1.00 0.00 C ATOM 569 C THR A 35 -9.536 2.872 -13.725 1.00 0.00 C ATOM 570 O THR A 35 -9.476 1.691 -13.379 1.00 0.00 O ATOM 571 CB THR A 35 -11.443 3.367 -15.375 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.981 4.392 -16.244 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.974 3.432 -15.395 1.00 0.00 C ATOM 0 H THR A 35 -10.265 5.481 -14.226 1.00 0.00 H new ATOM 0 HA THR A 35 -11.590 3.001 -13.264 1.00 0.00 H new ATOM 0 HB THR A 35 -11.076 2.400 -15.719 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.344 4.247 -17.143 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.330 3.318 -16.419 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.380 2.630 -14.778 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.302 4.394 -15.002 1.00 0.00 H new ATOM 581 N ALA A 36 -8.436 3.625 -13.864 1.00 0.00 N ATOM 582 CA ALA A 36 -7.094 3.137 -13.557 1.00 0.00 C ATOM 583 C ALA A 36 -6.890 2.969 -12.046 1.00 0.00 C ATOM 584 O ALA A 36 -6.263 2.002 -11.614 1.00 0.00 O ATOM 585 CB ALA A 36 -6.059 4.113 -14.122 1.00 0.00 C ATOM 0 H ALA A 36 -8.457 4.590 -14.193 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.969 2.157 -14.018 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.056 3.752 -13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.181 4.188 -15.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.202 5.095 -13.672 1.00 0.00 H new ATOM 591 N VAL A 37 -7.432 3.895 -11.249 1.00 0.00 N ATOM 592 CA VAL A 37 -7.329 3.944 -9.795 1.00 0.00 C ATOM 593 C VAL A 37 -8.703 4.385 -9.253 1.00 0.00 C ATOM 594 O VAL A 37 -8.870 5.543 -8.862 1.00 0.00 O ATOM 595 CB VAL A 37 -6.163 4.850 -9.344 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.867 4.643 -7.850 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.857 4.653 -10.132 1.00 0.00 C ATOM 0 H VAL A 37 -7.982 4.668 -11.624 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.088 2.964 -9.383 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.505 5.865 -9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.042 5.289 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.753 4.890 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.595 3.602 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.094 5.330 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.517 3.623 -10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.033 4.866 -11.186 1.00 0.00 H new ATOM 607 N PRO A 38 -9.733 3.515 -9.288 1.00 0.00 N ATOM 608 CA PRO A 38 -11.072 3.870 -8.823 1.00 0.00 C ATOM 609 C PRO A 38 -11.092 4.323 -7.358 1.00 0.00 C ATOM 610 O PRO A 38 -11.835 5.240 -7.002 1.00 0.00 O ATOM 611 CB PRO A 38 -11.937 2.619 -9.024 1.00 0.00 C ATOM 612 CG PRO A 38 -11.173 1.794 -10.056 1.00 0.00 C ATOM 613 CD PRO A 38 -9.715 2.142 -9.773 1.00 0.00 C ATOM 0 HA PRO A 38 -11.451 4.722 -9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.065 2.070 -8.091 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.934 2.878 -9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.362 0.727 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.459 2.058 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.287 1.468 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.107 2.051 -10.673 1.00 0.00 H new ATOM 621 N ASP A 39 -10.284 3.685 -6.502 1.00 0.00 N ATOM 622 CA ASP A 39 -10.185 4.028 -5.087 1.00 0.00 C ATOM 623 C ASP A 39 -9.264 5.233 -4.909 1.00 0.00 C ATOM 624 O ASP A 39 -8.053 5.093 -4.724 1.00 0.00 O ATOM 625 CB ASP A 39 -9.709 2.840 -4.242 1.00 0.00 C ATOM 626 CG ASP A 39 -9.547 3.239 -2.762 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.145 4.251 -2.329 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.848 2.513 -2.020 1.00 0.00 O ATOM 0 H ASP A 39 -9.679 2.912 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.182 4.288 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.424 2.022 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.758 2.473 -4.629 1.00 0.00 H new ATOM 633 N LYS A 40 -9.840 6.434 -4.975 1.00 0.00 N ATOM 634 CA LYS A 40 -9.097 7.685 -4.847 1.00 0.00 C ATOM 635 C LYS A 40 -8.462 7.913 -3.468 1.00 0.00 C ATOM 636 O LYS A 40 -7.747 8.904 -3.303 1.00 0.00 O ATOM 637 CB LYS A 40 -9.970 8.863 -5.315 1.00 0.00 C ATOM 638 CG LYS A 40 -11.188 9.155 -4.421 1.00 0.00 C ATOM 639 CD LYS A 40 -11.918 10.445 -4.834 1.00 0.00 C ATOM 640 CE LYS A 40 -12.433 10.476 -6.284 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.533 9.509 -6.536 1.00 0.00 N ATOM 0 H LYS A 40 -10.841 6.565 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.233 7.610 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.351 9.759 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.320 8.659 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.882 8.316 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.863 9.240 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.764 10.595 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.242 11.288 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.782 11.482 -6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.606 10.260 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.836 9.578 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.198 8.544 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.337 9.727 -5.913 1.00 0.00 H new ATOM 655 N ASN A 41 -8.704 7.041 -2.480 1.00 0.00 N ATOM 656 CA ASN A 41 -7.979 7.078 -1.211 1.00 0.00 C ATOM 657 C ASN A 41 -6.566 6.487 -1.352 1.00 0.00 C ATOM 658 O ASN A 41 -5.719 6.706 -0.485 1.00 0.00 O ATOM 659 CB ASN A 41 -8.755 6.313 -0.129 1.00 0.00 C ATOM 660 CG ASN A 41 -8.105 6.455 1.245 1.00 0.00 C ATOM 661 OD1 ASN A 41 -8.034 7.546 1.804 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.645 5.362 1.837 1.00 0.00 N ATOM 0 H ASN A 41 -9.401 6.299 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.884 8.123 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.779 6.684 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.809 5.258 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.227 5.422 2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.709 4.461 1.364 1.00 0.00 H new ATOM 669 N ASP A 42 -6.296 5.700 -2.401 1.00 0.00 N ATOM 670 CA ASP A 42 -4.961 5.147 -2.637 1.00 0.00 C ATOM 671 C ASP A 42 -4.008 6.245 -3.122 1.00 0.00 C ATOM 672 O ASP A 42 -4.438 7.220 -3.748 1.00 0.00 O ATOM 673 CB ASP A 42 -5.006 3.995 -3.650 1.00 0.00 C ATOM 674 CG ASP A 42 -3.637 3.302 -3.794 1.00 0.00 C ATOM 675 OD1 ASP A 42 -2.881 3.223 -2.798 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.338 2.800 -4.899 1.00 0.00 O ATOM 0 H ASP A 42 -6.988 5.433 -3.101 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.591 4.749 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.751 3.264 -3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.323 4.377 -4.620 1.00 0.00 H new ATOM 681 N THR A 43 -2.713 6.087 -2.848 1.00 0.00 N ATOM 682 CA THR A 43 -1.689 6.993 -3.347 1.00 0.00 C ATOM 683 C THR A 43 -1.512 6.778 -4.856 1.00 0.00 C ATOM 684 O THR A 43 -1.632 5.653 -5.355 1.00 0.00 O ATOM 685 CB THR A 43 -0.378 6.770 -2.572 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.592 6.990 -1.187 1.00 0.00 O ATOM 687 CG2 THR A 43 0.750 7.721 -2.997 1.00 0.00 C ATOM 0 H THR A 43 -2.349 5.327 -2.274 1.00 0.00 H new ATOM 0 HA THR A 43 -1.990 8.029 -3.191 1.00 0.00 H new ATOM 0 HB THR A 43 -0.079 5.745 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.292 7.892 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.644 7.509 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.967 7.578 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.440 8.752 -2.826 1.00 0.00 H new ATOM 695 N VAL A 44 -1.141 7.839 -5.571 1.00 0.00 N ATOM 696 CA VAL A 44 -0.753 7.788 -6.973 1.00 0.00 C ATOM 697 C VAL A 44 0.550 8.575 -7.095 1.00 0.00 C ATOM 698 O VAL A 44 0.742 9.569 -6.393 1.00 0.00 O ATOM 699 CB VAL A 44 -1.870 8.391 -7.860 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.634 8.102 -9.350 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.280 7.902 -7.493 1.00 0.00 C ATOM 0 H VAL A 44 -1.102 8.780 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.606 6.762 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.819 9.463 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.440 8.542 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.682 8.534 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.613 7.024 -9.513 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.010 8.366 -8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.329 6.818 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.502 8.174 -6.461 1.00 0.00 H new ATOM 711 N LYS A 45 1.441 8.174 -7.996 1.00 0.00 N ATOM 712 CA LYS A 45 2.607 8.965 -8.361 1.00 0.00 C ATOM 713 C LYS A 45 2.645 9.069 -9.871 1.00 0.00 C ATOM 714 O LYS A 45 2.252 8.147 -10.592 1.00 0.00 O ATOM 715 CB LYS A 45 3.895 8.372 -7.769 1.00 0.00 C ATOM 716 CG LYS A 45 4.013 8.734 -6.280 1.00 0.00 C ATOM 717 CD LYS A 45 5.238 8.095 -5.619 1.00 0.00 C ATOM 718 CE LYS A 45 5.221 8.385 -4.110 1.00 0.00 C ATOM 719 NZ LYS A 45 6.076 7.443 -3.349 1.00 0.00 N ATOM 0 H LYS A 45 1.373 7.287 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 45 2.535 9.968 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.893 7.289 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.761 8.750 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.071 9.817 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.112 8.411 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.237 7.019 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.151 8.489 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.562 9.405 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.197 8.323 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.184 7.784 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.633 6.502 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.011 7.382 -3.800 1.00 0.00 H new ATOM 733 N VAL A 46 3.106 10.220 -10.334 1.00 0.00 N ATOM 734 CA VAL A 46 3.135 10.603 -11.733 1.00 0.00 C ATOM 735 C VAL A 46 4.550 11.093 -12.036 1.00 0.00 C ATOM 736 O VAL A 46 5.222 11.651 -11.165 1.00 0.00 O ATOM 737 CB VAL A 46 2.039 11.657 -12.023 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.655 11.003 -12.095 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.950 12.794 -10.993 1.00 0.00 C ATOM 0 H VAL A 46 3.485 10.940 -9.719 1.00 0.00 H new ATOM 0 HA VAL A 46 2.910 9.764 -12.391 1.00 0.00 H new ATOM 0 HB VAL A 46 2.337 12.090 -12.978 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.097 11.765 -12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.645 10.260 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.432 10.519 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.155 13.483 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.733 12.378 -10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.899 13.329 -10.959 1.00 0.00 H new ATOM 749 N TYR A 47 5.004 10.890 -13.269 1.00 0.00 N ATOM 750 CA TYR A 47 6.288 11.335 -13.786 1.00 0.00 C ATOM 751 C TYR A 47 6.120 11.566 -15.292 1.00 0.00 C ATOM 752 O TYR A 47 5.119 11.133 -15.877 1.00 0.00 O ATOM 753 CB TYR A 47 7.380 10.287 -13.509 1.00 0.00 C ATOM 754 CG TYR A 47 7.273 9.043 -14.372 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.239 8.117 -14.144 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.168 8.844 -15.442 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.080 7.011 -14.991 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.036 7.716 -16.270 1.00 0.00 C ATOM 759 CZ TYR A 47 6.986 6.803 -16.054 1.00 0.00 C ATOM 760 OH TYR A 47 6.868 5.726 -16.878 1.00 0.00 O ATOM 0 H TYR A 47 4.457 10.386 -13.967 1.00 0.00 H new ATOM 0 HA TYR A 47 6.600 12.256 -13.294 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.357 10.744 -13.668 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.331 9.995 -12.460 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.564 8.259 -13.313 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.956 9.559 -15.626 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.266 6.319 -14.831 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.740 7.549 -17.072 1.00 0.00 H new ATOM 0 HH TYR A 47 7.211 5.955 -17.767 1.00 0.00 H new ATOM 770 N CYS A 48 7.088 12.232 -15.923 1.00 0.00 N ATOM 771 CA CYS A 48 7.137 12.404 -17.370 1.00 0.00 C ATOM 772 C CYS A 48 8.559 12.787 -17.795 1.00 0.00 C ATOM 773 O CYS A 48 9.406 13.070 -16.950 1.00 0.00 O ATOM 774 CB CYS A 48 6.113 13.469 -17.801 1.00 0.00 C ATOM 775 SG CYS A 48 6.406 15.032 -16.937 1.00 0.00 S ATOM 0 H CYS A 48 7.868 12.671 -15.435 1.00 0.00 H new ATOM 0 HA CYS A 48 6.877 11.468 -17.864 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.177 13.626 -18.878 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.104 13.116 -17.590 1.00 0.00 H new ATOM 0 HG CYS A 48 6.234 14.861 -15.660 1.00 0.00 H new ATOM 781 N ASN A 49 8.816 12.834 -19.105 1.00 0.00 N ATOM 782 CA ASN A 49 10.108 13.191 -19.687 1.00 0.00 C ATOM 783 C ASN A 49 10.609 14.552 -19.193 1.00 0.00 C ATOM 784 O ASN A 49 11.733 14.639 -18.699 1.00 0.00 O ATOM 785 CB ASN A 49 10.025 13.168 -21.223 1.00 0.00 C ATOM 786 CG ASN A 49 11.370 13.550 -21.837 1.00 0.00 C ATOM 787 OD1 ASN A 49 11.601 14.705 -22.180 1.00 0.00 O ATOM 788 ND2 ASN A 49 12.286 12.605 -21.971 1.00 0.00 N ATOM 0 H ASN A 49 8.109 12.618 -19.808 1.00 0.00 H new ATOM 0 HA ASN A 49 10.832 12.446 -19.358 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.733 12.174 -21.562 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.254 13.860 -21.562 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.199 12.832 -22.364 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.079 11.649 -21.681 1.00 0.00 H new ATOM 795 N ALA A 50 9.780 15.599 -19.304 1.00 0.00 N ATOM 796 CA ALA A 50 10.161 16.947 -18.882 1.00 0.00 C ATOM 797 C ALA A 50 10.139 17.082 -17.355 1.00 0.00 C ATOM 798 O ALA A 50 10.966 17.797 -16.789 1.00 0.00 O ATOM 799 CB ALA A 50 9.221 17.978 -19.515 1.00 0.00 C ATOM 0 H ALA A 50 8.836 15.534 -19.685 1.00 0.00 H new ATOM 0 HA ALA A 50 11.181 17.131 -19.220 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.511 18.979 -19.196 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.285 17.910 -20.601 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.197 17.779 -19.199 1.00 0.00 H new ATOM 805 N GLY A 51 9.193 16.408 -16.692 1.00 0.00 N ATOM 806 CA GLY A 51 9.083 16.370 -15.235 1.00 0.00 C ATOM 807 C GLY A 51 8.070 17.368 -14.674 1.00 0.00 C ATOM 808 O GLY A 51 8.013 17.541 -13.456 1.00 0.00 O ATOM 0 H GLY A 51 8.471 15.865 -17.164 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.799 15.364 -14.926 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.061 16.573 -14.799 1.00 0.00 H new ATOM 812 N ARG A 52 7.273 18.025 -15.531 1.00 0.00 N ATOM 813 CA ARG A 52 6.272 19.013 -15.127 1.00 0.00 C ATOM 814 C ARG A 52 4.868 18.680 -15.622 1.00 0.00 C ATOM 815 O ARG A 52 3.924 19.078 -14.955 1.00 0.00 O ATOM 816 CB ARG A 52 6.721 20.435 -15.470 1.00 0.00 C ATOM 817 CG ARG A 52 6.735 20.761 -16.965 1.00 0.00 C ATOM 818 CD ARG A 52 7.163 22.219 -17.109 1.00 0.00 C ATOM 819 NE ARG A 52 7.182 22.651 -18.518 1.00 0.00 N ATOM 820 CZ ARG A 52 6.137 23.092 -19.233 1.00 0.00 C ATOM 821 NH1 ARG A 52 4.922 23.163 -18.692 1.00 0.00 N ATOM 822 NH2 ARG A 52 6.312 23.449 -20.501 1.00 0.00 N ATOM 0 H ARG A 52 7.310 17.879 -16.540 1.00 0.00 H new ATOM 0 HA ARG A 52 6.197 18.966 -14.041 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.062 21.141 -14.965 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.722 20.591 -15.069 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.425 20.104 -17.495 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.748 20.606 -17.401 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.481 22.855 -16.544 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.155 22.351 -16.676 1.00 0.00 H new ATOM 0 HE ARG A 52 8.081 22.610 -18.998 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.778 22.880 -17.723 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.136 23.500 -19.247 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.237 23.387 -20.925 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.521 23.785 -21.050 1.00 0.00 H new ATOM 836 N GLN A 53 4.687 17.897 -16.695 1.00 0.00 N ATOM 837 CA GLN A 53 3.367 17.365 -17.062 1.00 0.00 C ATOM 838 C GLN A 53 2.810 16.510 -15.920 1.00 0.00 C ATOM 839 O GLN A 53 1.609 16.522 -15.670 1.00 0.00 O ATOM 840 CB GLN A 53 3.417 16.532 -18.359 1.00 0.00 C ATOM 841 CG GLN A 53 3.491 17.331 -19.667 1.00 0.00 C ATOM 842 CD GLN A 53 4.717 18.220 -19.815 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.784 17.754 -20.212 1.00 0.00 O ATOM 844 NE2 GLN A 53 4.596 19.501 -19.514 1.00 0.00 N ATOM 0 H GLN A 53 5.439 17.618 -17.325 1.00 0.00 H new ATOM 0 HA GLN A 53 2.711 18.217 -17.241 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.282 15.871 -18.310 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.532 15.896 -18.394 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.466 16.632 -20.503 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.599 17.953 -19.745 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.701 19.866 -19.187 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.397 20.125 -19.609 1.00 0.00 H new ATOM 853 N SER A 54 3.669 15.811 -15.181 1.00 0.00 N ATOM 854 CA SER A 54 3.305 15.128 -13.952 1.00 0.00 C ATOM 855 C SER A 54 2.905 16.116 -12.857 1.00 0.00 C ATOM 856 O SER A 54 1.937 15.870 -12.148 1.00 0.00 O ATOM 857 CB SER A 54 4.461 14.216 -13.558 1.00 0.00 C ATOM 858 OG SER A 54 5.723 14.783 -13.882 1.00 0.00 O ATOM 0 H SER A 54 4.653 15.705 -15.428 1.00 0.00 H new ATOM 0 HA SER A 54 2.418 14.513 -14.105 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.417 14.018 -12.487 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.354 13.257 -14.064 1.00 0.00 H new ATOM 0 HG SER A 54 6.198 15.018 -13.057 1.00 0.00 H new ATOM 864 N GLY A 55 3.577 17.264 -12.761 1.00 0.00 N ATOM 865 CA GLY A 55 3.158 18.380 -11.922 1.00 0.00 C ATOM 866 C GLY A 55 1.727 18.821 -12.256 1.00 0.00 C ATOM 867 O GLY A 55 0.885 18.939 -11.364 1.00 0.00 O ATOM 0 H GLY A 55 4.441 17.444 -13.273 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.216 18.091 -10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.841 19.218 -12.060 1.00 0.00 H new ATOM 871 N GLN A 56 1.428 18.998 -13.547 1.00 0.00 N ATOM 872 CA GLN A 56 0.104 19.383 -14.031 1.00 0.00 C ATOM 873 C GLN A 56 -0.923 18.307 -13.660 1.00 0.00 C ATOM 874 O GLN A 56 -1.948 18.612 -13.049 1.00 0.00 O ATOM 875 CB GLN A 56 0.133 19.601 -15.556 1.00 0.00 C ATOM 876 CG GLN A 56 1.116 20.702 -15.998 1.00 0.00 C ATOM 877 CD GLN A 56 1.204 20.865 -17.518 1.00 0.00 C ATOM 878 OE1 GLN A 56 2.160 20.422 -18.155 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.226 21.509 -18.134 1.00 0.00 N ATOM 0 H GLN A 56 2.111 18.875 -14.294 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.186 20.321 -13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.404 18.665 -16.044 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.869 19.860 -15.898 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.811 21.650 -15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.107 20.472 -15.607 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.562 21.873 -17.598 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.260 21.642 -19.145 1.00 0.00 H new ATOM 888 N ALA A 57 -0.634 17.039 -13.978 1.00 0.00 N ATOM 889 CA ALA A 57 -1.525 15.923 -13.685 1.00 0.00 C ATOM 890 C ALA A 57 -1.775 15.798 -12.188 1.00 0.00 C ATOM 891 O ALA A 57 -2.891 15.494 -11.778 1.00 0.00 O ATOM 892 CB ALA A 57 -0.940 14.611 -14.219 1.00 0.00 C ATOM 0 H ALA A 57 0.229 16.763 -14.447 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.475 16.121 -14.182 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.620 13.790 -13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.809 14.684 -15.299 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.025 14.425 -13.748 1.00 0.00 H new ATOM 898 N LYS A 58 -0.758 16.057 -11.366 1.00 0.00 N ATOM 899 CA LYS A 58 -0.880 15.937 -9.915 1.00 0.00 C ATOM 900 C LYS A 58 -1.943 16.911 -9.412 1.00 0.00 C ATOM 901 O LYS A 58 -2.739 16.550 -8.544 1.00 0.00 O ATOM 902 CB LYS A 58 0.503 16.119 -9.254 1.00 0.00 C ATOM 903 CG LYS A 58 0.465 16.025 -7.721 1.00 0.00 C ATOM 904 CD LYS A 58 0.299 17.392 -7.043 1.00 0.00 C ATOM 905 CE LYS A 58 -0.365 17.214 -5.675 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.714 18.519 -5.067 1.00 0.00 N ATOM 0 H LYS A 58 0.165 16.353 -11.684 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.217 14.939 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.184 15.361 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.910 17.089 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.357 15.375 -7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.385 15.559 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.271 17.871 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.306 18.048 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.265 16.609 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.307 16.670 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.403 18.372 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.144 18.962 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.128 19.140 -5.791 1.00 0.00 H new ATOM 920 N GLU A 59 -1.998 18.124 -9.962 1.00 0.00 N ATOM 921 CA GLU A 59 -3.011 19.098 -9.578 1.00 0.00 C ATOM 922 C GLU A 59 -4.391 18.697 -10.111 1.00 0.00 C ATOM 923 O GLU A 59 -5.373 18.885 -9.393 1.00 0.00 O ATOM 924 CB GLU A 59 -2.606 20.506 -10.037 1.00 0.00 C ATOM 925 CG GLU A 59 -1.400 21.060 -9.259 1.00 0.00 C ATOM 926 CD GLU A 59 -1.719 21.310 -7.773 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.538 20.388 -6.945 1.00 0.00 O ATOM 928 OE2 GLU A 59 -2.137 22.438 -7.422 1.00 0.00 O ATOM 0 H GLU A 59 -1.349 18.453 -10.677 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.081 19.114 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.368 20.482 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.453 21.181 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.569 20.358 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.073 21.993 -9.719 1.00 0.00 H new ATOM 935 N ILE A 60 -4.490 18.088 -11.302 1.00 0.00 N ATOM 936 CA ILE A 60 -5.756 17.529 -11.793 1.00 0.00 C ATOM 937 C ILE A 60 -6.256 16.489 -10.785 1.00 0.00 C ATOM 938 O ILE A 60 -7.411 16.547 -10.365 1.00 0.00 O ATOM 939 CB ILE A 60 -5.615 16.925 -13.217 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.243 18.009 -14.253 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.907 16.212 -13.664 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.927 17.448 -15.648 1.00 0.00 C ATOM 0 H ILE A 60 -3.706 17.970 -11.943 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.488 18.332 -11.881 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.811 16.191 -13.166 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.066 18.719 -14.335 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.378 18.564 -13.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.769 15.803 -14.665 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.135 15.403 -12.970 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.731 16.925 -13.674 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.675 18.267 -16.321 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.084 16.761 -15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.798 16.917 -16.033 1.00 0.00 H new ATOM 954 N LEU A 61 -5.400 15.551 -10.370 1.00 0.00 N ATOM 955 CA LEU A 61 -5.817 14.478 -9.474 1.00 0.00 C ATOM 956 C LEU A 61 -6.196 15.042 -8.102 1.00 0.00 C ATOM 957 O LEU A 61 -7.139 14.554 -7.478 1.00 0.00 O ATOM 958 CB LEU A 61 -4.736 13.391 -9.342 1.00 0.00 C ATOM 959 CG LEU A 61 -4.311 12.660 -10.639 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.729 11.280 -10.305 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.436 12.487 -11.668 1.00 0.00 C ATOM 0 H LEU A 61 -4.417 15.516 -10.641 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.697 14.006 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.848 13.848 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.092 12.643 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.561 13.304 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.434 10.777 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.857 11.399 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.481 10.683 -9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.051 11.966 -12.544 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.246 11.906 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.812 13.466 -11.964 1.00 0.00 H new ATOM 973 N SER A 62 -5.508 16.092 -7.650 1.00 0.00 N ATOM 974 CA SER A 62 -5.840 16.780 -6.410 1.00 0.00 C ATOM 975 C SER A 62 -7.222 17.438 -6.507 1.00 0.00 C ATOM 976 O SER A 62 -8.013 17.334 -5.570 1.00 0.00 O ATOM 977 CB SER A 62 -4.761 17.815 -6.081 1.00 0.00 C ATOM 978 OG SER A 62 -3.484 17.203 -6.030 1.00 0.00 O ATOM 0 H SER A 62 -4.704 16.487 -8.138 1.00 0.00 H new ATOM 0 HA SER A 62 -5.877 16.049 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.763 18.603 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.982 18.288 -5.124 1.00 0.00 H new ATOM 0 HG SER A 62 -3.139 17.090 -6.940 1.00 0.00 H new ATOM 984 N GLU A 63 -7.555 18.063 -7.643 1.00 0.00 N ATOM 985 CA GLU A 63 -8.870 18.657 -7.877 1.00 0.00 C ATOM 986 C GLU A 63 -9.949 17.562 -7.909 1.00 0.00 C ATOM 987 O GLU A 63 -11.041 17.747 -7.370 1.00 0.00 O ATOM 988 CB GLU A 63 -8.831 19.467 -9.186 1.00 0.00 C ATOM 989 CG GLU A 63 -10.079 20.328 -9.429 1.00 0.00 C ATOM 990 CD GLU A 63 -10.204 21.488 -8.423 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.616 22.568 -8.655 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.912 21.344 -7.401 1.00 0.00 O ATOM 0 H GLU A 63 -6.913 18.170 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.126 19.335 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.954 20.114 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.709 18.779 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.046 20.732 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.967 19.700 -9.365 1.00 0.00 H new ATOM 999 N MET A 64 -9.626 16.392 -8.475 1.00 0.00 N ATOM 1000 CA MET A 64 -10.478 15.201 -8.458 1.00 0.00 C ATOM 1001 C MET A 64 -10.561 14.547 -7.067 1.00 0.00 C ATOM 1002 O MET A 64 -11.303 13.578 -6.894 1.00 0.00 O ATOM 1003 CB MET A 64 -9.989 14.193 -9.511 1.00 0.00 C ATOM 1004 CG MET A 64 -10.215 14.705 -10.937 1.00 0.00 C ATOM 1005 SD MET A 64 -9.747 13.523 -12.227 1.00 0.00 S ATOM 1006 CE MET A 64 -11.118 12.339 -12.092 1.00 0.00 C ATOM 0 H MET A 64 -8.745 16.246 -8.968 1.00 0.00 H new ATOM 0 HA MET A 64 -11.490 15.521 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.928 13.995 -9.360 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.512 13.246 -9.378 1.00 0.00 H new ATOM 0 HG2 MET A 64 -11.268 14.961 -11.058 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.646 15.624 -11.077 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.051 11.611 -12.901 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.060 11.823 -11.134 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.067 12.871 -12.160 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.837 15.057 -6.067 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.968 14.644 -4.678 1.00 0.00 C ATOM 1018 C GLY A 65 -9.161 13.393 -4.337 1.00 0.00 C ATOM 1019 O GLY A 65 -9.430 12.780 -3.303 1.00 0.00 O ATOM 0 H GLY A 65 -9.133 15.781 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.647 15.461 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.020 14.459 -4.460 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.195 12.990 -5.173 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.249 11.941 -4.802 1.00 0.00 C ATOM 1025 C TYR A 66 -6.466 12.447 -3.592 1.00 0.00 C ATOM 1026 O TYR A 66 -5.904 13.546 -3.625 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.350 11.546 -5.982 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.060 10.671 -7.003 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.047 11.213 -7.851 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.796 9.288 -7.042 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -8.807 10.376 -8.686 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.546 8.446 -7.880 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.579 8.981 -8.682 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.374 8.165 -9.426 1.00 0.00 O ATOM 0 H TYR A 66 -8.052 13.376 -6.106 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.771 11.022 -4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.988 12.449 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.475 11.017 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.220 12.279 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.013 8.873 -6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.564 10.798 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.333 7.388 -7.911 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.232 7.234 -9.155 1.00 0.00 H new ATOM 1044 N THR A 67 -6.472 11.672 -2.510 1.00 0.00 N ATOM 1045 CA THR A 67 -6.017 12.128 -1.201 1.00 0.00 C ATOM 1046 C THR A 67 -4.505 12.372 -1.133 1.00 0.00 C ATOM 1047 O THR A 67 -4.062 13.219 -0.354 1.00 0.00 O ATOM 1048 CB THR A 67 -6.477 11.109 -0.143 1.00 0.00 C ATOM 1049 OG1 THR A 67 -6.120 9.800 -0.536 1.00 0.00 O ATOM 1050 CG2 THR A 67 -8.002 11.128 0.026 1.00 0.00 C ATOM 0 H THR A 67 -6.795 10.704 -2.518 1.00 0.00 H new ATOM 0 HA THR A 67 -6.465 13.102 -1.003 1.00 0.00 H new ATOM 0 HB THR A 67 -5.993 11.385 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.117 9.212 0.248 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.294 10.397 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.321 12.122 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.476 10.879 -0.923 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.710 11.650 -1.931 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.258 11.681 -1.859 1.00 0.00 C ATOM 1060 C HIS A 68 -1.705 11.402 -3.254 1.00 0.00 C ATOM 1061 O HIS A 68 -1.777 10.275 -3.749 1.00 0.00 O ATOM 1062 CB HIS A 68 -1.792 10.652 -0.813 1.00 0.00 C ATOM 1063 CG HIS A 68 -0.313 10.668 -0.516 1.00 0.00 C ATOM 1064 ND1 HIS A 68 0.489 9.559 -0.384 1.00 0.00 N ATOM 1065 CD2 HIS A 68 0.471 11.762 -0.255 1.00 0.00 C ATOM 1066 CE1 HIS A 68 1.730 9.970 -0.076 1.00 0.00 C ATOM 1067 NE2 HIS A 68 1.771 11.313 0.017 1.00 0.00 N ATOM 0 H HIS A 68 -4.068 11.023 -2.651 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.886 12.655 -1.542 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.335 10.829 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.067 9.655 -1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.144 12.791 -0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.576 9.316 0.076 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.584 11.887 0.240 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.179 12.438 -3.906 1.00 0.00 N ATOM 1076 CA VAL A 69 -0.559 12.351 -5.218 1.00 0.00 C ATOM 1077 C VAL A 69 0.694 13.215 -5.186 1.00 0.00 C ATOM 1078 O VAL A 69 0.708 14.266 -4.540 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.543 12.777 -6.333 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -0.955 12.530 -7.733 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -2.885 12.036 -6.233 1.00 0.00 C ATOM 0 H VAL A 69 -1.175 13.383 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.286 11.321 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.711 13.844 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.675 12.841 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.036 13.104 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.737 11.469 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.544 12.367 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.716 10.963 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.349 12.252 -5.271 1.00 0.00 H new ATOM 1091 N GLU A 70 1.742 12.775 -5.881 1.00 0.00 N ATOM 1092 CA GLU A 70 3.022 13.454 -5.913 1.00 0.00 C ATOM 1093 C GLU A 70 3.631 13.311 -7.311 1.00 0.00 C ATOM 1094 O GLU A 70 3.453 12.292 -7.985 1.00 0.00 O ATOM 1095 CB GLU A 70 3.906 12.859 -4.803 1.00 0.00 C ATOM 1096 CG GLU A 70 5.307 13.472 -4.703 1.00 0.00 C ATOM 1097 CD GLU A 70 5.282 14.985 -4.411 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.011 15.778 -5.341 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.543 15.388 -3.255 1.00 0.00 O ATOM 0 H GLU A 70 1.718 11.924 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 70 2.922 14.522 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.399 12.986 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.005 11.787 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.864 12.965 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.842 13.296 -5.636 1.00 0.00 H new ATOM 1106 N ASN A 71 4.347 14.353 -7.734 1.00 0.00 N ATOM 1107 CA ASN A 71 5.136 14.374 -8.955 1.00 0.00 C ATOM 1108 C ASN A 71 6.541 13.897 -8.602 1.00 0.00 C ATOM 1109 O ASN A 71 7.249 14.566 -7.846 1.00 0.00 O ATOM 1110 CB ASN A 71 5.182 15.798 -9.530 1.00 0.00 C ATOM 1111 CG ASN A 71 6.166 15.919 -10.690 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.509 14.939 -11.344 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.636 17.115 -10.989 1.00 0.00 N ATOM 0 H ASN A 71 4.392 15.231 -7.216 1.00 0.00 H new ATOM 0 HA ASN A 71 4.693 13.724 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.186 16.084 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.463 16.497 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.287 17.228 -11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.348 17.927 -10.443 1.00 0.00 H new ATOM 1120 N ALA A 72 6.940 12.743 -9.135 1.00 0.00 N ATOM 1121 CA ALA A 72 8.269 12.192 -8.913 1.00 0.00 C ATOM 1122 C ALA A 72 9.357 13.052 -9.573 1.00 0.00 C ATOM 1123 O ALA A 72 10.479 13.096 -9.069 1.00 0.00 O ATOM 1124 CB ALA A 72 8.318 10.763 -9.453 1.00 0.00 C ATOM 0 H ALA A 72 6.348 12.166 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 72 8.467 12.188 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.312 10.346 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.578 10.153 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.099 10.770 -10.521 1.00 0.00 H new ATOM 1130 N GLY A 73 9.043 13.734 -10.678 1.00 0.00 N ATOM 1131 CA GLY A 73 9.973 14.566 -11.429 1.00 0.00 C ATOM 1132 C GLY A 73 10.184 14.015 -12.835 1.00 0.00 C ATOM 1133 O GLY A 73 9.337 13.291 -13.369 1.00 0.00 O ATOM 0 H GLY A 73 8.107 13.719 -11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.590 15.585 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.928 14.614 -10.906 1.00 0.00 H new ATOM 1137 N GLY A 74 11.311 14.399 -13.442 1.00 0.00 N ATOM 1138 CA GLY A 74 11.719 13.933 -14.760 1.00 0.00 C ATOM 1139 C GLY A 74 11.987 12.428 -14.770 1.00 0.00 C ATOM 1140 O GLY A 74 12.227 11.821 -13.724 1.00 0.00 O ATOM 0 H GLY A 74 11.972 15.052 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.941 14.169 -15.486 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.618 14.465 -15.072 1.00 0.00 H new ATOM 1144 N LEU A 75 12.009 11.830 -15.965 1.00 0.00 N ATOM 1145 CA LEU A 75 12.163 10.382 -16.165 1.00 0.00 C ATOM 1146 C LEU A 75 13.445 9.825 -15.530 1.00 0.00 C ATOM 1147 O LEU A 75 13.482 8.671 -15.105 1.00 0.00 O ATOM 1148 CB LEU A 75 12.121 10.052 -17.673 1.00 0.00 C ATOM 1149 CG LEU A 75 11.194 8.876 -18.032 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.150 8.698 -19.552 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.603 7.553 -17.372 1.00 0.00 C ATOM 0 H LEU A 75 11.919 12.348 -16.839 1.00 0.00 H new ATOM 0 HA LEU A 75 11.329 9.897 -15.658 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.796 10.937 -18.219 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.131 9.822 -18.012 1.00 0.00 H new ATOM 0 HG LEU A 75 10.207 9.129 -17.645 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.493 7.865 -19.802 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.772 9.610 -20.014 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.154 8.492 -19.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.907 6.768 -17.668 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.610 7.284 -17.690 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.583 7.666 -16.288 1.00 0.00 H new ATOM 1163 N LYS A 76 14.506 10.633 -15.448 1.00 0.00 N ATOM 1164 CA LYS A 76 15.765 10.226 -14.835 1.00 0.00 C ATOM 1165 C LYS A 76 15.631 10.043 -13.318 1.00 0.00 C ATOM 1166 O LYS A 76 16.387 9.264 -12.738 1.00 0.00 O ATOM 1167 CB LYS A 76 16.828 11.282 -15.192 1.00 0.00 C ATOM 1168 CG LYS A 76 18.253 10.840 -14.831 1.00 0.00 C ATOM 1169 CD LYS A 76 19.291 11.860 -15.319 1.00 0.00 C ATOM 1170 CE LYS A 76 20.704 11.392 -14.944 1.00 0.00 C ATOM 1171 NZ LYS A 76 21.750 12.343 -15.397 1.00 0.00 N ATOM 0 H LYS A 76 14.512 11.588 -15.806 1.00 0.00 H new ATOM 0 HA LYS A 76 16.065 9.253 -15.223 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.778 11.494 -16.260 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.598 12.212 -14.672 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.337 10.720 -13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.458 9.867 -15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.214 11.981 -16.400 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.092 12.835 -14.874 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.769 11.271 -13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.890 10.413 -15.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.687 11.985 -15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.707 12.440 -16.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.590 13.271 -14.955 1.00 0.00 H new ATOM 1185 N ASP A 77 14.705 10.753 -12.661 1.00 0.00 N ATOM 1186 CA ASP A 77 14.676 10.835 -11.202 1.00 0.00 C ATOM 1187 C ASP A 77 14.220 9.536 -10.541 1.00 0.00 C ATOM 1188 O ASP A 77 14.841 9.118 -9.562 1.00 0.00 O ATOM 1189 CB ASP A 77 13.770 11.979 -10.730 1.00 0.00 C ATOM 1190 CG ASP A 77 13.902 12.164 -9.206 1.00 0.00 C ATOM 1191 OD1 ASP A 77 13.169 11.511 -8.432 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.758 12.970 -8.774 1.00 0.00 O ATOM 0 H ASP A 77 13.964 11.280 -13.123 1.00 0.00 H new ATOM 0 HA ASP A 77 15.705 11.025 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.041 12.903 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.734 11.763 -10.990 1.00 0.00 H new ATOM 1197 N ILE A 78 13.152 8.907 -11.057 1.00 0.00 N ATOM 1198 CA ILE A 78 12.477 7.793 -10.393 1.00 0.00 C ATOM 1199 C ILE A 78 13.477 6.667 -10.094 1.00 0.00 C ATOM 1200 O ILE A 78 14.068 6.095 -11.014 1.00 0.00 O ATOM 1201 CB ILE A 78 11.259 7.285 -11.208 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.364 8.416 -11.767 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.400 6.383 -10.305 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.775 8.832 -13.183 1.00 0.00 C ATOM 0 H ILE A 78 12.734 9.162 -11.952 1.00 0.00 H new ATOM 0 HA ILE A 78 12.081 8.154 -9.444 1.00 0.00 H new ATOM 0 HB ILE A 78 11.661 6.745 -12.066 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.325 8.085 -11.774 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.419 9.281 -11.106 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.540 6.019 -10.867 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.996 5.536 -9.965 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.055 6.954 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.118 9.628 -13.533 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.805 9.189 -13.173 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.695 7.975 -13.852 1.00 0.00 H new ATOM 1216 N ALA A 79 13.640 6.335 -8.810 1.00 0.00 N ATOM 1217 CA ALA A 79 14.562 5.318 -8.312 1.00 0.00 C ATOM 1218 C ALA A 79 13.948 3.914 -8.450 1.00 0.00 C ATOM 1219 O ALA A 79 13.846 3.169 -7.472 1.00 0.00 O ATOM 1220 CB ALA A 79 14.951 5.662 -6.865 1.00 0.00 C ATOM 0 H ALA A 79 13.112 6.786 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 79 15.473 5.309 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.640 4.908 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.433 6.639 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.056 5.683 -6.243 1.00 0.00 H new ATOM 1226 N MET A 80 13.490 3.568 -9.655 1.00 0.00 N ATOM 1227 CA MET A 80 12.852 2.295 -9.982 1.00 0.00 C ATOM 1228 C MET A 80 13.402 1.785 -11.320 1.00 0.00 C ATOM 1229 O MET A 80 13.836 2.610 -12.137 1.00 0.00 O ATOM 1230 CB MET A 80 11.329 2.479 -10.096 1.00 0.00 C ATOM 1231 CG MET A 80 10.653 2.757 -8.748 1.00 0.00 C ATOM 1232 SD MET A 80 8.877 3.121 -8.844 1.00 0.00 S ATOM 1233 CE MET A 80 8.209 1.537 -9.425 1.00 0.00 C ATOM 0 H MET A 80 13.557 4.192 -10.459 1.00 0.00 H new ATOM 0 HA MET A 80 13.065 1.575 -9.192 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.119 3.303 -10.778 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.893 1.582 -10.536 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.797 1.892 -8.101 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.156 3.599 -8.272 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.120 1.586 -9.444 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.581 1.332 -10.429 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.524 0.740 -8.751 1.00 0.00 H new ATOM 1243 N PRO A 81 13.371 0.459 -11.566 1.00 0.00 N ATOM 1244 CA PRO A 81 13.659 -0.128 -12.870 1.00 0.00 C ATOM 1245 C PRO A 81 12.815 0.498 -13.982 1.00 0.00 C ATOM 1246 O PRO A 81 11.711 0.999 -13.740 1.00 0.00 O ATOM 1247 CB PRO A 81 13.357 -1.627 -12.739 1.00 0.00 C ATOM 1248 CG PRO A 81 13.512 -1.896 -11.246 1.00 0.00 C ATOM 1249 CD PRO A 81 13.030 -0.592 -10.614 1.00 0.00 C ATOM 0 HA PRO A 81 14.697 0.053 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.352 -1.865 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.049 -2.228 -13.329 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.912 -2.747 -10.924 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.546 -2.116 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.956 -0.620 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.514 -0.421 -9.652 1.00 0.00 H new ATOM 1257 N LYS A 82 13.309 0.427 -15.219 1.00 0.00 N ATOM 1258 CA LYS A 82 12.661 0.999 -16.395 1.00 0.00 C ATOM 1259 C LYS A 82 12.810 -0.002 -17.533 1.00 0.00 C ATOM 1260 O LYS A 82 13.822 -0.704 -17.605 1.00 0.00 O ATOM 1261 CB LYS A 82 13.298 2.356 -16.761 1.00 0.00 C ATOM 1262 CG LYS A 82 13.174 3.391 -15.632 1.00 0.00 C ATOM 1263 CD LYS A 82 13.960 4.678 -15.910 1.00 0.00 C ATOM 1264 CE LYS A 82 13.956 5.600 -14.679 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.695 5.026 -13.522 1.00 0.00 N ATOM 0 H LYS A 82 14.190 -0.040 -15.433 1.00 0.00 H new ATOM 0 HA LYS A 82 11.606 1.187 -16.197 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.351 2.207 -16.998 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.821 2.746 -17.660 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.122 3.638 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.529 2.949 -14.701 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.986 4.431 -16.181 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.522 5.199 -16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.400 6.558 -14.948 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.926 5.798 -14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.659 5.690 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.258 4.125 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.686 4.861 -13.790 1.00 0.00 H new ATOM 1279 N VAL A 83 11.813 -0.076 -18.407 1.00 0.00 N ATOM 1280 CA VAL A 83 11.677 -1.100 -19.428 1.00 0.00 C ATOM 1281 C VAL A 83 11.142 -0.447 -20.705 1.00 0.00 C ATOM 1282 O VAL A 83 10.460 0.578 -20.637 1.00 0.00 O ATOM 1283 CB VAL A 83 10.728 -2.200 -18.906 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.435 -3.136 -17.913 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.446 -1.666 -18.243 1.00 0.00 C ATOM 0 H VAL A 83 11.051 0.602 -18.422 1.00 0.00 H new ATOM 0 HA VAL A 83 12.637 -1.562 -19.656 1.00 0.00 H new ATOM 0 HB VAL A 83 10.435 -2.747 -19.802 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.735 -3.897 -17.568 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.280 -3.617 -18.405 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.793 -2.559 -17.060 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.836 -2.503 -17.905 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.711 -1.042 -17.390 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.882 -1.074 -18.965 1.00 0.00 H new ATOM 1295 N LYS A 84 11.463 -1.018 -21.870 1.00 0.00 N ATOM 1296 CA LYS A 84 10.962 -0.537 -23.161 1.00 0.00 C ATOM 1297 C LYS A 84 9.456 -0.793 -23.271 1.00 0.00 C ATOM 1298 O LYS A 84 8.913 -1.636 -22.550 1.00 0.00 O ATOM 1299 CB LYS A 84 11.701 -1.229 -24.321 1.00 0.00 C ATOM 1300 CG LYS A 84 13.217 -0.972 -24.315 1.00 0.00 C ATOM 1301 CD LYS A 84 13.892 -1.616 -25.534 1.00 0.00 C ATOM 1302 CE LYS A 84 15.401 -1.337 -25.506 1.00 0.00 C ATOM 1303 NZ LYS A 84 16.105 -1.940 -26.665 1.00 0.00 N ATOM 0 H LYS A 84 12.078 -1.828 -21.944 1.00 0.00 H new ATOM 0 HA LYS A 84 11.145 0.536 -23.224 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.521 -2.303 -24.268 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.284 -0.882 -25.267 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.407 0.101 -24.315 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.653 -1.373 -23.400 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.712 -2.691 -25.534 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.458 -1.220 -26.452 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.569 -0.260 -25.501 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.824 -1.730 -24.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.121 -1.726 -26.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.967 -2.971 -26.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.721 -1.547 -27.548 1.00 0.00 H new ATOM 1317 N GLY A 85 8.800 -0.089 -24.198 1.00 0.00 N ATOM 1318 CA GLY A 85 7.416 -0.325 -24.591 1.00 0.00 C ATOM 1319 C GLY A 85 7.177 -1.804 -24.879 1.00 0.00 C ATOM 1320 O GLY A 85 7.972 -2.403 -25.634 1.00 0.00 O ATOM 1321 OXT GLY A 85 6.184 -2.357 -24.367 1.00 0.00 O ATOM 0 H GLY A 85 9.233 0.681 -24.707 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.747 0.008 -23.798 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.179 0.265 -25.476 1.00 0.00 H new TER 1325 GLY A 85