USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 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 73 MET CE :methyl -128:sc= -0.937 (180deg=-2.26!) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.0791 K(o=-1,f=-2.1) USER MOD Set 2.1: A 47 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.3!) USER MOD Set 2.2: A 49 ASN : amide:sc= -0.0657 X(o=-1.7,f=-1.7) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 141:sc= 0.0334 (180deg=0) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.0327 K(o=0.066,f=-0.86) USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.043 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00112 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 156:sc= -3.45! USER MOD Single : A 38 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-1.4) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 18:sc= 0.791 USER MOD Single : A 61 GLN : amide:sc= -0.325 K(o=-0.33,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= -0.0424 (180deg=-0.443) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 75 SER OG : rot -20:sc= -0.466 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.683 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 47:sc= 0.841 USER MOD Single : A 91 SER OG : rot 23:sc= 0.784 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.462 -13.588 -15.391 1.00 0.00 N ATOM 2 CA GLY A 1 -2.752 -14.148 -16.528 1.00 0.00 C ATOM 3 C GLY A 1 -1.264 -14.317 -16.216 1.00 0.00 C ATOM 4 O GLY A 1 -0.700 -13.557 -15.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.920 -14.354 -14.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.790 -13.088 -14.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.185 -12.921 -15.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.184 -15.113 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.874 -13.497 -17.394 1.00 0.00 H new ATOM 8 N SER A 2 -0.669 -15.319 -16.848 1.00 0.00 N ATOM 9 CA SER A 2 0.742 -15.598 -16.647 1.00 0.00 C ATOM 10 C SER A 2 1.006 -15.936 -15.178 1.00 0.00 C ATOM 11 O SER A 2 1.126 -15.041 -14.344 1.00 0.00 O ATOM 12 CB SER A 2 1.605 -14.411 -17.082 1.00 0.00 C ATOM 13 OG SER A 2 2.964 -14.563 -16.678 1.00 0.00 O ATOM 0 H SER A 2 -1.139 -15.947 -17.500 1.00 0.00 H new ATOM 0 HA SER A 2 1.012 -16.455 -17.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.558 -14.307 -18.166 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.200 -13.493 -16.656 1.00 0.00 H new ATOM 0 HG SER A 2 3.482 -13.786 -16.975 1.00 0.00 H new ATOM 19 N SER A 3 1.088 -17.231 -14.908 1.00 0.00 N ATOM 20 CA SER A 3 1.335 -17.698 -13.555 1.00 0.00 C ATOM 21 C SER A 3 0.298 -17.105 -12.599 1.00 0.00 C ATOM 22 O SER A 3 0.549 -16.084 -11.960 1.00 0.00 O ATOM 23 CB SER A 3 2.748 -17.335 -13.096 1.00 0.00 C ATOM 24 OG SER A 3 2.898 -17.452 -11.683 1.00 0.00 O ATOM 0 H SER A 3 0.988 -17.971 -15.603 1.00 0.00 H new ATOM 0 HA SER A 3 1.248 -18.784 -13.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.468 -17.985 -13.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.977 -16.314 -13.401 1.00 0.00 H new ATOM 0 HG SER A 3 3.814 -17.213 -11.430 1.00 0.00 H new ATOM 30 N GLY A 4 -0.846 -17.770 -12.530 1.00 0.00 N ATOM 31 CA GLY A 4 -1.922 -17.321 -11.663 1.00 0.00 C ATOM 32 C GLY A 4 -2.669 -18.511 -11.056 1.00 0.00 C ATOM 33 O GLY A 4 -2.464 -18.848 -9.891 1.00 0.00 O ATOM 0 H GLY A 4 -1.051 -18.617 -13.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.516 -16.697 -10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.617 -16.702 -12.230 1.00 0.00 H new ATOM 37 N SER A 5 -3.521 -19.113 -11.873 1.00 0.00 N ATOM 38 CA SER A 5 -4.299 -20.258 -11.431 1.00 0.00 C ATOM 39 C SER A 5 -5.248 -19.842 -10.306 1.00 0.00 C ATOM 40 O SER A 5 -5.064 -18.793 -9.689 1.00 0.00 O ATOM 41 CB SER A 5 -3.389 -21.396 -10.965 1.00 0.00 C ATOM 42 OG SER A 5 -3.912 -22.675 -11.315 1.00 0.00 O ATOM 0 H SER A 5 -3.690 -18.829 -12.838 1.00 0.00 H new ATOM 0 HA SER A 5 -4.884 -20.621 -12.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.401 -21.275 -11.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.262 -21.340 -9.884 1.00 0.00 H new ATOM 0 HG SER A 5 -3.302 -23.375 -11.002 1.00 0.00 H new ATOM 48 N SER A 6 -6.243 -20.685 -10.072 1.00 0.00 N ATOM 49 CA SER A 6 -7.222 -20.418 -9.032 1.00 0.00 C ATOM 50 C SER A 6 -7.902 -19.071 -9.286 1.00 0.00 C ATOM 51 O SER A 6 -7.326 -18.019 -9.014 1.00 0.00 O ATOM 52 CB SER A 6 -6.571 -20.430 -7.647 1.00 0.00 C ATOM 53 OG SER A 6 -6.397 -21.755 -7.151 1.00 0.00 O ATOM 0 H SER A 6 -6.392 -21.554 -10.585 1.00 0.00 H new ATOM 0 HA SER A 6 -7.973 -21.208 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.603 -19.931 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.187 -19.860 -6.952 1.00 0.00 H new ATOM 0 HG SER A 6 -5.977 -21.721 -6.266 1.00 0.00 H new ATOM 59 N GLY A 7 -9.118 -19.147 -9.806 1.00 0.00 N ATOM 60 CA GLY A 7 -9.883 -17.947 -10.100 1.00 0.00 C ATOM 61 C GLY A 7 -9.772 -16.933 -8.960 1.00 0.00 C ATOM 62 O GLY A 7 -9.284 -15.822 -9.158 1.00 0.00 O ATOM 0 H GLY A 7 -9.593 -20.021 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.522 -17.499 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.929 -18.208 -10.259 1.00 0.00 H new ATOM 66 N VAL A 8 -10.233 -17.353 -7.790 1.00 0.00 N ATOM 67 CA VAL A 8 -10.192 -16.495 -6.618 1.00 0.00 C ATOM 68 C VAL A 8 -8.768 -15.969 -6.426 1.00 0.00 C ATOM 69 O VAL A 8 -7.806 -16.601 -6.860 1.00 0.00 O ATOM 70 CB VAL A 8 -10.720 -17.251 -5.398 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.138 -17.770 -5.646 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.778 -18.392 -5.010 1.00 0.00 C ATOM 0 H VAL A 8 -10.637 -18.276 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.842 -15.631 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.761 -16.552 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.490 -18.304 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.802 -16.930 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.134 -18.446 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.177 -18.913 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.690 -19.090 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.795 -17.987 -4.771 1.00 0.00 H new ATOM 82 N PRO A 9 -8.676 -14.788 -5.758 1.00 0.00 N ATOM 83 CA PRO A 9 -7.386 -14.171 -5.503 1.00 0.00 C ATOM 84 C PRO A 9 -6.640 -14.901 -4.385 1.00 0.00 C ATOM 85 O PRO A 9 -7.250 -15.619 -3.593 1.00 0.00 O ATOM 86 CB PRO A 9 -7.703 -12.724 -5.160 1.00 0.00 C ATOM 87 CG PRO A 9 -9.175 -12.699 -4.781 1.00 0.00 C ATOM 88 CD PRO A 9 -9.794 -14.012 -5.230 1.00 0.00 C ATOM 0 HA PRO A 9 -6.717 -14.226 -6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.082 -12.373 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.507 -12.069 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.290 -12.571 -3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.678 -11.857 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.276 -14.527 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.558 -13.850 -5.991 1.00 0.00 H new ATOM 96 N GLU A 10 -5.332 -14.693 -4.355 1.00 0.00 N ATOM 97 CA GLU A 10 -4.497 -15.323 -3.347 1.00 0.00 C ATOM 98 C GLU A 10 -3.870 -14.262 -2.439 1.00 0.00 C ATOM 99 O GLU A 10 -3.177 -13.364 -2.914 1.00 0.00 O ATOM 100 CB GLU A 10 -3.420 -16.196 -3.994 1.00 0.00 C ATOM 101 CG GLU A 10 -2.394 -16.659 -2.958 1.00 0.00 C ATOM 102 CD GLU A 10 -2.341 -18.186 -2.882 1.00 0.00 C ATOM 103 OE1 GLU A 10 -1.670 -18.775 -3.757 1.00 0.00 O ATOM 104 OE2 GLU A 10 -2.974 -18.730 -1.951 1.00 0.00 O ATOM 0 H GLU A 10 -4.830 -14.097 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.125 -15.972 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.884 -17.063 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.918 -15.636 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.409 -16.270 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.650 -16.251 -1.980 1.00 0.00 H new ATOM 111 N LYS A 11 -4.136 -14.402 -1.149 1.00 0.00 N ATOM 112 CA LYS A 11 -3.607 -13.467 -0.170 1.00 0.00 C ATOM 113 C LYS A 11 -2.094 -13.660 -0.053 1.00 0.00 C ATOM 114 O LYS A 11 -1.579 -14.742 -0.330 1.00 0.00 O ATOM 115 CB LYS A 11 -4.349 -13.606 1.160 1.00 0.00 C ATOM 116 CG LYS A 11 -5.854 -13.403 0.973 1.00 0.00 C ATOM 117 CD LYS A 11 -6.446 -12.593 2.128 1.00 0.00 C ATOM 118 CE LYS A 11 -7.304 -13.478 3.034 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.815 -13.419 4.430 1.00 0.00 N ATOM 0 H LYS A 11 -4.711 -15.149 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.774 -12.440 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.162 -14.593 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.966 -12.875 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.041 -12.889 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.350 -14.372 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.642 -12.141 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.051 -11.777 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.343 -13.152 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.278 -14.507 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.408 -14.025 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.830 -13.752 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.862 -12.438 4.773 1.00 0.00 H new ATOM 133 N PHE A 12 -1.423 -12.593 0.357 1.00 0.00 N ATOM 134 CA PHE A 12 0.021 -12.632 0.514 1.00 0.00 C ATOM 135 C PHE A 12 0.431 -12.200 1.923 1.00 0.00 C ATOM 136 O PHE A 12 -0.171 -11.295 2.499 1.00 0.00 O ATOM 137 CB PHE A 12 0.607 -11.647 -0.499 1.00 0.00 C ATOM 138 CG PHE A 12 0.130 -11.873 -1.935 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.301 -13.086 -2.526 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.466 -10.861 -2.621 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.142 -13.296 -3.858 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.909 -11.071 -3.954 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.738 -12.284 -4.544 1.00 0.00 C ATOM 0 H PHE A 12 -1.853 -11.697 0.585 1.00 0.00 H new ATOM 0 HA PHE A 12 0.386 -13.647 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.347 -10.633 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.694 -11.719 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.774 -13.890 -1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.602 -9.898 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.006 -14.259 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.382 -10.267 -4.499 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.075 -12.444 -5.557 1.00 0.00 H new ATOM 153 N LYS A 13 1.453 -12.867 2.438 1.00 0.00 N ATOM 154 CA LYS A 13 1.951 -12.564 3.769 1.00 0.00 C ATOM 155 C LYS A 13 2.598 -11.178 3.763 1.00 0.00 C ATOM 156 O LYS A 13 2.723 -10.551 2.712 1.00 0.00 O ATOM 157 CB LYS A 13 2.881 -13.675 4.260 1.00 0.00 C ATOM 158 CG LYS A 13 2.361 -14.291 5.560 1.00 0.00 C ATOM 159 CD LYS A 13 3.514 -14.624 6.509 1.00 0.00 C ATOM 160 CE LYS A 13 3.394 -16.054 7.038 1.00 0.00 C ATOM 161 NZ LYS A 13 4.520 -16.883 6.553 1.00 0.00 N ATOM 0 H LYS A 13 1.950 -13.617 1.957 1.00 0.00 H new ATOM 0 HA LYS A 13 1.129 -12.530 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.966 -14.448 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.882 -13.273 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.674 -13.598 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.796 -15.196 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.464 -14.504 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.517 -13.923 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.385 -16.045 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.449 -16.489 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.423 -17.851 6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.511 -16.906 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.418 -16.476 6.883 1.00 0.00 H new ATOM 175 N LEU A 14 2.994 -10.739 4.949 1.00 0.00 N ATOM 176 CA LEU A 14 3.626 -9.439 5.093 1.00 0.00 C ATOM 177 C LEU A 14 4.981 -9.609 5.782 1.00 0.00 C ATOM 178 O LEU A 14 5.146 -10.487 6.628 1.00 0.00 O ATOM 179 CB LEU A 14 2.689 -8.464 5.811 1.00 0.00 C ATOM 180 CG LEU A 14 1.635 -7.781 4.937 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.222 -8.128 5.411 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.866 -6.270 4.881 1.00 0.00 C ATOM 0 H LEU A 14 2.889 -11.261 5.819 1.00 0.00 H new ATOM 0 HA LEU A 14 3.818 -8.999 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.177 -9.003 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.295 -7.692 6.286 1.00 0.00 H new ATOM 0 HG LEU A 14 1.736 -8.160 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.508 -7.630 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.075 -9.207 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.092 -7.795 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.104 -5.808 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.808 -5.855 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.852 -6.068 4.462 1.00 0.00 H new ATOM 194 N SER A 15 5.917 -8.754 5.396 1.00 0.00 N ATOM 195 CA SER A 15 7.253 -8.799 5.966 1.00 0.00 C ATOM 196 C SER A 15 7.246 -8.179 7.365 1.00 0.00 C ATOM 197 O SER A 15 6.250 -7.588 7.781 1.00 0.00 O ATOM 198 CB SER A 15 8.259 -8.074 5.069 1.00 0.00 C ATOM 199 OG SER A 15 9.296 -8.942 4.621 1.00 0.00 O ATOM 0 H SER A 15 5.777 -8.026 4.695 1.00 0.00 H new ATOM 0 HA SER A 15 7.559 -9.843 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.740 -7.654 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.696 -7.239 5.616 1.00 0.00 H new ATOM 0 HG SER A 15 9.917 -8.443 4.050 1.00 0.00 H new ATOM 205 N THR A 16 8.368 -8.335 8.052 1.00 0.00 N ATOM 206 CA THR A 16 8.503 -7.798 9.395 1.00 0.00 C ATOM 207 C THR A 16 8.288 -6.284 9.388 1.00 0.00 C ATOM 208 O THR A 16 7.618 -5.744 10.267 1.00 0.00 O ATOM 209 CB THR A 16 9.873 -8.215 9.935 1.00 0.00 C ATOM 210 OG1 THR A 16 9.710 -9.591 10.270 1.00 0.00 O ATOM 211 CG2 THR A 16 10.206 -7.543 11.269 1.00 0.00 C ATOM 0 H THR A 16 9.192 -8.826 7.704 1.00 0.00 H new ATOM 0 HA THR A 16 7.739 -8.200 10.060 1.00 0.00 H new ATOM 0 HB THR A 16 10.642 -7.969 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.552 -9.943 10.627 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.188 -7.873 11.608 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.212 -6.461 11.140 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.456 -7.816 12.011 1.00 0.00 H new ATOM 219 N ALA A 17 8.870 -5.640 8.386 1.00 0.00 N ATOM 220 CA ALA A 17 8.750 -4.198 8.253 1.00 0.00 C ATOM 221 C ALA A 17 7.350 -3.852 7.743 1.00 0.00 C ATOM 222 O ALA A 17 6.689 -2.966 8.283 1.00 0.00 O ATOM 223 CB ALA A 17 9.853 -3.677 7.330 1.00 0.00 C ATOM 0 H ALA A 17 9.426 -6.091 7.659 1.00 0.00 H new ATOM 0 HA ALA A 17 8.878 -3.711 9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.763 -2.595 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.827 -3.923 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.756 -4.141 6.349 1.00 0.00 H new ATOM 229 N LEU A 18 6.938 -4.568 6.707 1.00 0.00 N ATOM 230 CA LEU A 18 5.629 -4.348 6.117 1.00 0.00 C ATOM 231 C LEU A 18 4.561 -4.436 7.209 1.00 0.00 C ATOM 232 O LEU A 18 3.549 -3.740 7.150 1.00 0.00 O ATOM 233 CB LEU A 18 5.397 -5.312 4.952 1.00 0.00 C ATOM 234 CG LEU A 18 4.631 -4.745 3.755 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.283 -3.457 3.247 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.491 -5.791 2.648 1.00 0.00 C ATOM 0 H LEU A 18 7.489 -5.302 6.261 1.00 0.00 H new ATOM 0 HA LEU A 18 5.568 -3.347 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.366 -5.668 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.855 -6.180 5.327 1.00 0.00 H new ATOM 0 HG LEU A 18 3.624 -4.488 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.719 -3.075 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.287 -2.713 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.308 -3.665 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.943 -5.362 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.481 -6.102 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.949 -6.656 3.031 1.00 0.00 H new ATOM 248 N MET A 19 4.823 -5.298 8.181 1.00 0.00 N ATOM 249 CA MET A 19 3.897 -5.486 9.285 1.00 0.00 C ATOM 250 C MET A 19 3.843 -4.241 10.173 1.00 0.00 C ATOM 251 O MET A 19 2.797 -3.921 10.736 1.00 0.00 O ATOM 252 CB MET A 19 4.336 -6.691 10.120 1.00 0.00 C ATOM 253 CG MET A 19 3.198 -7.703 10.262 1.00 0.00 C ATOM 254 SD MET A 19 3.234 -8.437 11.889 1.00 0.00 S ATOM 255 CE MET A 19 4.606 -9.562 11.691 1.00 0.00 C ATOM 0 H MET A 19 5.664 -5.874 8.227 1.00 0.00 H new ATOM 0 HA MET A 19 2.902 -5.660 8.875 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.196 -7.169 9.651 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.656 -6.357 11.107 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.240 -7.211 10.097 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.293 -8.478 9.502 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.768 -10.106 12.622 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.385 -10.269 10.891 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.505 -8.999 11.439 1.00 0.00 H new ATOM 265 N ASP A 20 4.983 -3.573 10.271 1.00 0.00 N ATOM 266 CA ASP A 20 5.078 -2.371 11.080 1.00 0.00 C ATOM 267 C ASP A 20 4.664 -1.161 10.241 1.00 0.00 C ATOM 268 O ASP A 20 4.742 -0.024 10.703 1.00 0.00 O ATOM 269 CB ASP A 20 6.512 -2.143 11.562 1.00 0.00 C ATOM 270 CG ASP A 20 6.718 -2.283 13.072 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.916 -3.018 13.688 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.671 -1.651 13.576 1.00 0.00 O ATOM 0 H ASP A 20 5.849 -3.842 9.803 1.00 0.00 H new ATOM 0 HA ASP A 20 4.422 -2.493 11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.167 -2.851 11.054 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.827 -1.144 11.259 1.00 0.00 H new ATOM 277 N VAL A 21 4.232 -1.447 9.021 1.00 0.00 N ATOM 278 CA VAL A 21 3.806 -0.397 8.112 1.00 0.00 C ATOM 279 C VAL A 21 2.283 -0.260 8.177 1.00 0.00 C ATOM 280 O VAL A 21 1.750 0.843 8.061 1.00 0.00 O ATOM 281 CB VAL A 21 4.321 -0.685 6.700 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.653 0.233 5.675 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.844 -0.562 6.637 1.00 0.00 C ATOM 0 H VAL A 21 4.168 -2.391 8.641 1.00 0.00 H new ATOM 0 HA VAL A 21 4.232 0.561 8.409 1.00 0.00 H new ATOM 0 HB VAL A 21 4.058 -1.713 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.037 0.008 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.575 0.074 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.871 1.272 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.184 -0.772 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.139 0.449 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.295 -1.276 7.326 1.00 0.00 H new ATOM 293 N LEU A 22 1.626 -1.395 8.362 1.00 0.00 N ATOM 294 CA LEU A 22 0.176 -1.415 8.444 1.00 0.00 C ATOM 295 C LEU A 22 -0.249 -2.151 9.716 1.00 0.00 C ATOM 296 O LEU A 22 -0.961 -1.595 10.551 1.00 0.00 O ATOM 297 CB LEU A 22 -0.425 -2.002 7.165 1.00 0.00 C ATOM 298 CG LEU A 22 0.295 -1.647 5.862 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.026 -2.698 4.783 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.079 -0.239 5.395 1.00 0.00 C ATOM 0 H LEU A 22 2.071 -2.308 8.457 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.215 -0.400 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.446 -3.088 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.460 -1.669 7.087 1.00 0.00 H new ATOM 0 HG LEU A 22 1.368 -1.649 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.549 -2.422 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.382 -3.670 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.045 -2.752 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.446 -0.012 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.154 -0.186 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.204 0.485 6.159 1.00 0.00 H new ATOM 312 N GLY A 23 0.206 -3.391 9.824 1.00 0.00 N ATOM 313 CA GLY A 23 -0.118 -4.209 10.981 1.00 0.00 C ATOM 314 C GLY A 23 -0.913 -5.450 10.569 1.00 0.00 C ATOM 315 O GLY A 23 -1.746 -5.939 11.331 1.00 0.00 O ATOM 0 H GLY A 23 0.796 -3.849 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.800 -4.511 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.696 -3.623 11.695 1.00 0.00 H new ATOM 319 N ILE A 24 -0.626 -5.925 9.366 1.00 0.00 N ATOM 320 CA ILE A 24 -1.303 -7.100 8.844 1.00 0.00 C ATOM 321 C ILE A 24 -0.287 -8.228 8.657 1.00 0.00 C ATOM 322 O ILE A 24 0.911 -7.976 8.543 1.00 0.00 O ATOM 323 CB ILE A 24 -2.076 -6.751 7.570 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.403 -5.602 6.817 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.543 -6.449 7.884 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.857 -5.563 5.357 1.00 0.00 C ATOM 0 H ILE A 24 0.066 -5.517 8.738 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.049 -7.457 9.554 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.060 -7.620 6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.643 -4.655 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.320 -5.718 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.070 -6.204 6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.004 -7.323 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.602 -5.604 8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.364 -4.737 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.594 -6.502 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.937 -5.422 5.315 1.00 0.00 H new ATOM 338 N GLU A 25 -0.803 -9.448 8.632 1.00 0.00 N ATOM 339 CA GLU A 25 0.044 -10.616 8.461 1.00 0.00 C ATOM 340 C GLU A 25 -0.170 -11.229 7.076 1.00 0.00 C ATOM 341 O GLU A 25 0.789 -11.607 6.406 1.00 0.00 O ATOM 342 CB GLU A 25 -0.213 -11.646 9.563 1.00 0.00 C ATOM 343 CG GLU A 25 -1.689 -12.044 9.607 1.00 0.00 C ATOM 344 CD GLU A 25 -1.932 -13.136 10.651 1.00 0.00 C ATOM 345 OE1 GLU A 25 -1.179 -14.134 10.614 1.00 0.00 O ATOM 346 OE2 GLU A 25 -2.864 -12.949 11.462 1.00 0.00 O ATOM 0 H GLU A 25 -1.798 -9.653 8.727 1.00 0.00 H new ATOM 0 HA GLU A 25 1.084 -10.301 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.401 -12.530 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.085 -11.235 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.298 -11.171 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.003 -12.398 8.625 1.00 0.00 H new ATOM 353 N VAL A 26 -1.434 -11.309 6.689 1.00 0.00 N ATOM 354 CA VAL A 26 -1.787 -11.871 5.396 1.00 0.00 C ATOM 355 C VAL A 26 -2.901 -11.032 4.767 1.00 0.00 C ATOM 356 O VAL A 26 -4.034 -11.038 5.247 1.00 0.00 O ATOM 357 CB VAL A 26 -2.163 -13.345 5.550 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.288 -14.025 4.185 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.156 -14.078 6.438 1.00 0.00 C ATOM 0 H VAL A 26 -2.227 -10.994 7.248 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.933 -11.837 4.719 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.136 -13.393 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.556 -15.072 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.061 -13.527 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.336 -13.961 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.447 -15.124 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.164 -14.016 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.139 -13.617 7.426 1.00 0.00 H new ATOM 369 N GLU A 27 -2.541 -10.329 3.703 1.00 0.00 N ATOM 370 CA GLU A 27 -3.497 -9.487 3.004 1.00 0.00 C ATOM 371 C GLU A 27 -3.392 -9.706 1.493 1.00 0.00 C ATOM 372 O GLU A 27 -2.548 -10.473 1.031 1.00 0.00 O ATOM 373 CB GLU A 27 -3.292 -8.013 3.359 1.00 0.00 C ATOM 374 CG GLU A 27 -4.614 -7.357 3.760 1.00 0.00 C ATOM 375 CD GLU A 27 -5.305 -8.147 4.873 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.613 -8.443 5.871 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.508 -8.438 4.700 1.00 0.00 O ATOM 0 H GLU A 27 -1.601 -10.325 3.308 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.500 -9.768 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.577 -7.928 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.864 -7.486 2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.430 -6.336 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.271 -7.295 2.892 1.00 0.00 H new ATOM 384 N THR A 28 -4.261 -9.020 0.766 1.00 0.00 N ATOM 385 CA THR A 28 -4.277 -9.130 -0.683 1.00 0.00 C ATOM 386 C THR A 28 -3.281 -8.148 -1.303 1.00 0.00 C ATOM 387 O THR A 28 -2.458 -7.565 -0.599 1.00 0.00 O ATOM 388 CB THR A 28 -5.715 -8.917 -1.157 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.030 -7.594 -0.731 1.00 0.00 O ATOM 390 CG2 THR A 28 -6.716 -9.798 -0.406 1.00 0.00 C ATOM 0 H THR A 28 -4.960 -8.386 1.153 1.00 0.00 H new ATOM 0 HA THR A 28 -3.955 -10.119 -1.008 1.00 0.00 H new ATOM 0 HB THR A 28 -5.779 -9.124 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.745 -7.231 -1.294 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.721 -9.607 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.464 -10.847 -0.560 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.676 -9.568 0.659 1.00 0.00 H new ATOM 398 N ARG A 29 -3.389 -7.994 -2.615 1.00 0.00 N ATOM 399 CA ARG A 29 -2.508 -7.093 -3.338 1.00 0.00 C ATOM 400 C ARG A 29 -2.998 -5.650 -3.202 1.00 0.00 C ATOM 401 O ARG A 29 -2.203 -4.739 -2.977 1.00 0.00 O ATOM 402 CB ARG A 29 -2.438 -7.463 -4.821 1.00 0.00 C ATOM 403 CG ARG A 29 -1.115 -7.005 -5.438 1.00 0.00 C ATOM 404 CD ARG A 29 -0.941 -7.575 -6.847 1.00 0.00 C ATOM 405 NE ARG A 29 -0.646 -6.483 -7.802 1.00 0.00 N ATOM 406 CZ ARG A 29 -0.078 -6.667 -9.002 1.00 0.00 C ATOM 407 NH1 ARG A 29 0.259 -7.901 -9.401 1.00 0.00 N ATOM 408 NH2 ARG A 29 0.152 -5.617 -9.802 1.00 0.00 N ATOM 0 H ARG A 29 -4.073 -8.478 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.512 -7.185 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.543 -8.542 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.270 -7.003 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.085 -5.916 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.285 -7.325 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.132 -8.305 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.847 -8.100 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.890 -5.531 -7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.083 -8.700 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.691 -8.041 -10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.105 -4.678 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.584 -5.757 -10.715 1.00 0.00 H new ATOM 422 N PRO A 30 -4.340 -5.482 -3.349 1.00 0.00 N ATOM 423 CA PRO A 30 -4.945 -4.165 -3.245 1.00 0.00 C ATOM 424 C PRO A 30 -5.013 -3.706 -1.788 1.00 0.00 C ATOM 425 O PRO A 30 -4.582 -2.601 -1.460 1.00 0.00 O ATOM 426 CB PRO A 30 -6.316 -4.311 -3.886 1.00 0.00 C ATOM 427 CG PRO A 30 -6.611 -5.802 -3.905 1.00 0.00 C ATOM 428 CD PRO A 30 -5.312 -6.538 -3.617 1.00 0.00 C ATOM 0 HA PRO A 30 -4.363 -3.394 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.073 -3.770 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.321 -3.899 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.365 -6.052 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.012 -6.100 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.417 -7.206 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.007 -7.151 -4.465 1.00 0.00 H new ATOM 436 N ARG A 31 -5.556 -4.577 -0.951 1.00 0.00 N ATOM 437 CA ARG A 31 -5.686 -4.275 0.465 1.00 0.00 C ATOM 438 C ARG A 31 -4.414 -3.600 0.982 1.00 0.00 C ATOM 439 O ARG A 31 -4.483 -2.609 1.706 1.00 0.00 O ATOM 440 CB ARG A 31 -5.947 -5.545 1.277 1.00 0.00 C ATOM 441 CG ARG A 31 -7.415 -5.965 1.180 1.00 0.00 C ATOM 442 CD ARG A 31 -7.711 -7.144 2.110 1.00 0.00 C ATOM 443 NE ARG A 31 -9.042 -7.711 1.800 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.202 -7.094 2.064 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.201 -5.886 2.644 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.362 -7.684 1.748 1.00 0.00 N ATOM 0 H ARG A 31 -5.911 -5.493 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.534 -3.601 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.310 -6.351 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.682 -5.375 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.056 -5.122 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.651 -6.240 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.944 -7.910 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.680 -6.815 3.149 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.079 -8.629 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.318 -5.436 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.084 -5.416 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.363 -8.603 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.245 -7.214 1.949 1.00 0.00 H new ATOM 460 N ILE A 32 -3.281 -4.164 0.589 1.00 0.00 N ATOM 461 CA ILE A 32 -1.995 -3.629 1.004 1.00 0.00 C ATOM 462 C ILE A 32 -1.754 -2.292 0.301 1.00 0.00 C ATOM 463 O ILE A 32 -1.644 -1.255 0.953 1.00 0.00 O ATOM 464 CB ILE A 32 -0.887 -4.657 0.768 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.264 -6.016 1.361 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.454 -4.150 1.305 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.345 -7.119 0.831 1.00 0.00 C ATOM 0 H ILE A 32 -3.227 -4.986 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.991 -3.431 2.076 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.773 -4.795 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.198 -5.974 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.299 -6.250 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.225 -4.899 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.723 -3.224 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.371 -3.965 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.634 -8.075 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.432 -7.175 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.687 -6.894 1.101 1.00 0.00 H new ATOM 479 N ILE A 33 -1.678 -2.360 -1.020 1.00 0.00 N ATOM 480 CA ILE A 33 -1.451 -1.167 -1.819 1.00 0.00 C ATOM 481 C ILE A 33 -2.290 -0.017 -1.259 1.00 0.00 C ATOM 482 O ILE A 33 -1.809 1.110 -1.148 1.00 0.00 O ATOM 483 CB ILE A 33 -1.712 -1.455 -3.299 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.616 -2.346 -3.886 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.879 -0.156 -4.089 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.132 -3.126 -5.096 1.00 0.00 C ATOM 0 H ILE A 33 -1.770 -3.222 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.407 -0.860 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.650 -2.004 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.236 -1.734 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.261 -3.041 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.063 -0.389 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.722 0.407 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.971 0.441 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.333 -3.751 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.969 -3.756 -4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.463 -2.428 -5.865 1.00 0.00 H new ATOM 498 N ALA A 34 -3.529 -0.340 -0.921 1.00 0.00 N ATOM 499 CA ALA A 34 -4.439 0.652 -0.375 1.00 0.00 C ATOM 500 C ALA A 34 -4.007 1.006 1.049 1.00 0.00 C ATOM 501 O ALA A 34 -3.836 2.180 1.376 1.00 0.00 O ATOM 502 CB ALA A 34 -5.872 0.118 -0.433 1.00 0.00 C ATOM 0 H ALA A 34 -3.925 -1.276 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.408 1.567 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.555 0.862 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.141 -0.090 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.942 -0.799 0.151 1.00 0.00 H new ATOM 508 N ALA A 35 -3.842 -0.030 1.858 1.00 0.00 N ATOM 509 CA ALA A 35 -3.432 0.157 3.240 1.00 0.00 C ATOM 510 C ALA A 35 -2.306 1.191 3.298 1.00 0.00 C ATOM 511 O ALA A 35 -2.191 1.935 4.270 1.00 0.00 O ATOM 512 CB ALA A 35 -3.019 -1.190 3.837 1.00 0.00 C ATOM 0 H ALA A 35 -3.985 -1.002 1.583 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.260 0.538 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.712 -1.050 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.863 -1.879 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.188 -1.602 3.265 1.00 0.00 H new ATOM 518 N ILE A 36 -1.503 1.204 2.244 1.00 0.00 N ATOM 519 CA ILE A 36 -0.390 2.134 2.163 1.00 0.00 C ATOM 520 C ILE A 36 -0.906 3.503 1.714 1.00 0.00 C ATOM 521 O ILE A 36 -0.489 4.532 2.243 1.00 0.00 O ATOM 522 CB ILE A 36 0.716 1.570 1.268 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.316 0.300 1.873 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.783 2.629 0.981 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.128 -0.473 0.831 1.00 0.00 C ATOM 0 H ILE A 36 -1.601 0.585 1.439 1.00 0.00 H new ATOM 0 HA ILE A 36 0.064 2.270 3.144 1.00 0.00 H new ATOM 0 HB ILE A 36 0.273 1.292 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.955 0.561 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.519 -0.334 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.557 2.202 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.325 3.480 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.228 2.961 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.544 -1.372 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.481 -0.754 0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.939 0.155 0.462 1.00 0.00 H new ATOM 537 N TRP A 37 -1.806 3.471 0.742 1.00 0.00 N ATOM 538 CA TRP A 37 -2.384 4.696 0.216 1.00 0.00 C ATOM 539 C TRP A 37 -2.912 5.514 1.396 1.00 0.00 C ATOM 540 O TRP A 37 -2.529 6.669 1.577 1.00 0.00 O ATOM 541 CB TRP A 37 -3.458 4.391 -0.829 1.00 0.00 C ATOM 542 CG TRP A 37 -2.905 3.869 -2.157 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.704 3.323 -2.392 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.585 3.867 -3.430 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.561 2.971 -3.719 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.741 3.311 -4.369 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.871 4.318 -3.775 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -3.090 3.156 -5.717 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -5.204 4.156 -5.125 1.00 0.00 C ATOM 550 CH2 TRP A 37 -4.366 3.599 -6.084 1.00 0.00 C ATOM 0 H TRP A 37 -2.149 2.616 0.305 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.630 5.285 -0.306 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.149 3.654 -0.420 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.034 5.297 -1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.944 3.177 -1.639 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.740 2.540 -4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.548 4.755 -3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.411 2.718 -6.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.181 4.487 -5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.698 3.508 -7.108 1.00 0.00 H new ATOM 561 N HIS A 38 -3.785 4.883 2.169 1.00 0.00 N ATOM 562 CA HIS A 38 -4.370 5.538 3.326 1.00 0.00 C ATOM 563 C HIS A 38 -3.266 5.908 4.319 1.00 0.00 C ATOM 564 O HIS A 38 -3.012 7.087 4.560 1.00 0.00 O ATOM 565 CB HIS A 38 -5.461 4.666 3.950 1.00 0.00 C ATOM 566 CG HIS A 38 -6.051 5.234 5.219 1.00 0.00 C ATOM 567 ND1 HIS A 38 -7.374 5.627 5.321 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.484 5.470 6.437 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.583 6.078 6.549 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.410 5.980 7.239 1.00 0.00 N ATOM 0 H HIS A 38 -4.101 3.925 2.016 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.858 6.463 3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.260 4.525 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.046 3.681 4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.456 5.275 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.518 6.457 6.936 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.268 6.254 8.211 1.00 0.00 H new ATOM 578 N TYR A 39 -2.641 4.877 4.870 1.00 0.00 N ATOM 579 CA TYR A 39 -1.570 5.079 5.831 1.00 0.00 C ATOM 580 C TYR A 39 -0.726 6.301 5.464 1.00 0.00 C ATOM 581 O TYR A 39 -0.501 7.177 6.297 1.00 0.00 O ATOM 582 CB TYR A 39 -0.694 3.827 5.756 1.00 0.00 C ATOM 583 CG TYR A 39 0.574 3.902 6.608 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.477 4.016 7.980 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.814 3.856 6.005 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.671 4.087 8.783 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.008 3.927 6.808 1.00 0.00 C ATOM 588 CZ TYR A 39 2.877 4.038 8.157 1.00 0.00 C ATOM 589 OH TYR A 39 4.005 4.105 8.915 1.00 0.00 O ATOM 0 H TYR A 39 -2.856 3.900 4.669 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.976 5.245 6.829 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.282 2.966 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.412 3.655 4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.494 4.052 8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.890 3.767 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.610 4.177 9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.985 3.893 6.349 1.00 0.00 H new ATOM 0 HH TYR A 39 4.793 4.057 8.334 1.00 0.00 H new ATOM 599 N VAL A 40 -0.281 6.319 4.216 1.00 0.00 N ATOM 600 CA VAL A 40 0.534 7.419 3.728 1.00 0.00 C ATOM 601 C VAL A 40 -0.180 8.742 4.013 1.00 0.00 C ATOM 602 O VAL A 40 0.360 9.607 4.701 1.00 0.00 O ATOM 603 CB VAL A 40 0.850 7.218 2.245 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.560 8.443 1.665 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.679 5.950 2.028 1.00 0.00 C ATOM 0 H VAL A 40 -0.469 5.590 3.528 1.00 0.00 H new ATOM 0 HA VAL A 40 1.491 7.447 4.250 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.094 7.096 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.773 8.274 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.919 9.319 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.494 8.610 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.890 5.831 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.617 6.030 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.121 5.085 2.387 1.00 0.00 H new ATOM 615 N LYS A 41 -1.383 8.858 3.470 1.00 0.00 N ATOM 616 CA LYS A 41 -2.176 10.061 3.657 1.00 0.00 C ATOM 617 C LYS A 41 -2.415 10.282 5.152 1.00 0.00 C ATOM 618 O LYS A 41 -2.205 11.381 5.662 1.00 0.00 O ATOM 619 CB LYS A 41 -3.462 9.988 2.832 1.00 0.00 C ATOM 620 CG LYS A 41 -4.621 10.669 3.563 1.00 0.00 C ATOM 621 CD LYS A 41 -5.641 11.232 2.571 1.00 0.00 C ATOM 622 CE LYS A 41 -5.566 12.759 2.514 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.723 13.234 1.121 1.00 0.00 N ATOM 0 H LYS A 41 -1.828 8.138 2.900 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.637 10.934 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.306 10.466 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.714 8.946 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.109 9.953 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.237 11.473 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.456 10.818 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.645 10.924 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.345 13.191 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.610 13.097 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.301 14.099 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.787 13.439 0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.192 12.499 0.554 1.00 0.00 H new ATOM 637 N ALA A 42 -2.850 9.219 5.812 1.00 0.00 N ATOM 638 CA ALA A 42 -3.119 9.282 7.239 1.00 0.00 C ATOM 639 C ALA A 42 -1.923 9.916 7.952 1.00 0.00 C ATOM 640 O ALA A 42 -2.095 10.709 8.876 1.00 0.00 O ATOM 641 CB ALA A 42 -3.434 7.880 7.762 1.00 0.00 C ATOM 0 H ALA A 42 -3.023 8.309 5.385 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.990 9.907 7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.636 7.928 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.309 7.487 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.582 7.225 7.582 1.00 0.00 H new ATOM 647 N ARG A 43 -0.737 9.541 7.495 1.00 0.00 N ATOM 648 CA ARG A 43 0.488 10.063 8.078 1.00 0.00 C ATOM 649 C ARG A 43 0.947 11.311 7.320 1.00 0.00 C ATOM 650 O ARG A 43 2.130 11.647 7.331 1.00 0.00 O ATOM 651 CB ARG A 43 1.603 9.016 8.046 1.00 0.00 C ATOM 652 CG ARG A 43 1.171 7.733 8.758 1.00 0.00 C ATOM 653 CD ARG A 43 1.530 7.783 10.245 1.00 0.00 C ATOM 654 NE ARG A 43 1.038 9.045 10.842 1.00 0.00 N ATOM 655 CZ ARG A 43 1.788 10.144 11.000 1.00 0.00 C ATOM 656 NH1 ARG A 43 3.069 10.143 10.608 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.257 11.244 11.552 1.00 0.00 N ATOM 0 H ARG A 43 -0.598 8.883 6.728 1.00 0.00 H new ATOM 0 HA ARG A 43 0.278 10.321 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.866 8.791 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.497 9.417 8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.096 7.594 8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.654 6.874 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.090 6.930 10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.610 7.709 10.370 1.00 0.00 H new ATOM 0 HE ARG A 43 0.067 9.080 11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.474 9.306 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.640 10.980 10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.282 11.244 11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.828 12.081 11.672 1.00 0.00 H new ATOM 671 N LYS A 44 -0.013 11.962 6.681 1.00 0.00 N ATOM 672 CA LYS A 44 0.278 13.165 5.919 1.00 0.00 C ATOM 673 C LYS A 44 1.602 12.984 5.175 1.00 0.00 C ATOM 674 O LYS A 44 2.445 13.880 5.175 1.00 0.00 O ATOM 675 CB LYS A 44 0.246 14.395 6.828 1.00 0.00 C ATOM 676 CG LYS A 44 -0.994 15.249 6.553 1.00 0.00 C ATOM 677 CD LYS A 44 -0.787 16.687 7.030 1.00 0.00 C ATOM 678 CE LYS A 44 -2.039 17.218 7.731 1.00 0.00 C ATOM 679 NZ LYS A 44 -1.949 18.685 7.912 1.00 0.00 N ATOM 0 H LYS A 44 -0.993 11.680 6.675 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.491 13.334 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.251 14.080 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.145 14.991 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.213 15.244 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.857 14.816 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.062 16.729 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.544 17.324 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.924 16.972 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.154 16.732 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.807 19.029 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.116 18.913 8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.862 19.145 6.983 1.00 0.00 H new ATOM 693 N LEU A 45 1.744 11.820 4.560 1.00 0.00 N ATOM 694 CA LEU A 45 2.952 11.510 3.813 1.00 0.00 C ATOM 695 C LEU A 45 2.792 11.993 2.370 1.00 0.00 C ATOM 696 O LEU A 45 3.778 12.299 1.702 1.00 0.00 O ATOM 697 CB LEU A 45 3.288 10.022 3.931 1.00 0.00 C ATOM 698 CG LEU A 45 3.973 9.590 5.228 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.121 8.068 5.289 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.315 10.304 5.404 1.00 0.00 C ATOM 0 H LEU A 45 1.043 11.079 4.563 1.00 0.00 H new ATOM 0 HA LEU A 45 3.807 12.040 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.365 9.452 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.931 9.748 3.095 1.00 0.00 H new ATOM 0 HG LEU A 45 3.339 9.886 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.611 7.787 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.136 7.604 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.722 7.727 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.781 9.979 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.969 10.061 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.152 11.381 5.437 1.00 0.00 H new ATOM 712 N GLN A 46 1.543 12.045 1.932 1.00 0.00 N ATOM 713 CA GLN A 46 1.241 12.485 0.581 1.00 0.00 C ATOM 714 C GLN A 46 2.104 13.693 0.211 1.00 0.00 C ATOM 715 O GLN A 46 2.179 14.662 0.965 1.00 0.00 O ATOM 716 CB GLN A 46 -0.246 12.807 0.428 1.00 0.00 C ATOM 717 CG GLN A 46 -0.575 13.212 -1.010 1.00 0.00 C ATOM 718 CD GLN A 46 -2.050 13.595 -1.149 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.726 13.922 -0.187 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.509 13.538 -2.396 1.00 0.00 N ATOM 0 H GLN A 46 0.728 11.789 2.489 1.00 0.00 H new ATOM 0 HA GLN A 46 1.475 11.671 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.841 11.938 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.519 13.614 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.052 14.053 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.345 12.388 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.889 13.256 -3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.481 13.776 -2.593 1.00 0.00 H new ATOM 729 N ASN A 47 2.735 13.596 -0.950 1.00 0.00 N ATOM 730 CA ASN A 47 3.590 14.669 -1.430 1.00 0.00 C ATOM 731 C ASN A 47 2.737 15.705 -2.164 1.00 0.00 C ATOM 732 O ASN A 47 1.889 15.350 -2.981 1.00 0.00 O ATOM 733 CB ASN A 47 4.640 14.141 -2.409 1.00 0.00 C ATOM 734 CG ASN A 47 5.795 15.132 -2.562 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.676 16.172 -3.189 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.916 14.753 -1.955 1.00 0.00 N ATOM 0 H ASN A 47 2.671 12.791 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 47 4.091 15.112 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.022 13.183 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.179 13.962 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.745 15.346 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.947 13.869 -1.447 1.00 0.00 H new ATOM 743 N PRO A 48 2.999 17.000 -1.838 1.00 0.00 N ATOM 744 CA PRO A 48 2.265 18.090 -2.458 1.00 0.00 C ATOM 745 C PRO A 48 2.736 18.321 -3.896 1.00 0.00 C ATOM 746 O PRO A 48 1.924 18.361 -4.819 1.00 0.00 O ATOM 747 CB PRO A 48 2.505 19.289 -1.555 1.00 0.00 C ATOM 748 CG PRO A 48 3.733 18.947 -0.726 1.00 0.00 C ATOM 749 CD PRO A 48 3.996 17.458 -0.875 1.00 0.00 C ATOM 0 HA PRO A 48 1.199 17.882 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.669 20.193 -2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.642 19.476 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.595 19.523 -1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.570 19.203 0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.008 17.269 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.893 16.940 0.079 1.00 0.00 H new ATOM 757 N ASN A 49 4.045 18.466 -4.040 1.00 0.00 N ATOM 758 CA ASN A 49 4.633 18.691 -5.349 1.00 0.00 C ATOM 759 C ASN A 49 3.965 17.767 -6.369 1.00 0.00 C ATOM 760 O ASN A 49 3.666 18.184 -7.487 1.00 0.00 O ATOM 761 CB ASN A 49 6.131 18.381 -5.341 1.00 0.00 C ATOM 762 CG ASN A 49 6.878 19.309 -4.381 1.00 0.00 C ATOM 763 OD1 ASN A 49 7.396 18.898 -3.356 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.904 20.581 -4.769 1.00 0.00 N ATOM 0 H ASN A 49 4.715 18.432 -3.272 1.00 0.00 H new ATOM 0 HA ASN A 49 4.483 19.739 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.290 17.344 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.534 18.492 -6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.378 21.279 -4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.450 20.858 -5.639 1.00 0.00 H new ATOM 771 N ASP A 50 3.750 16.530 -5.948 1.00 0.00 N ATOM 772 CA ASP A 50 3.122 15.543 -6.811 1.00 0.00 C ATOM 773 C ASP A 50 2.229 14.630 -5.969 1.00 0.00 C ATOM 774 O ASP A 50 2.682 14.050 -4.984 1.00 0.00 O ATOM 775 CB ASP A 50 4.171 14.671 -7.504 1.00 0.00 C ATOM 776 CG ASP A 50 5.301 15.441 -8.190 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.883 16.318 -7.514 1.00 0.00 O ATOM 778 OD2 ASP A 50 5.558 15.137 -9.375 1.00 0.00 O ATOM 0 H ASP A 50 3.999 16.188 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 50 2.540 16.075 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.606 13.997 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.672 14.050 -8.247 1.00 0.00 H new ATOM 783 N PRO A 51 0.943 14.527 -6.400 1.00 0.00 N ATOM 784 CA PRO A 51 -0.017 13.694 -5.697 1.00 0.00 C ATOM 785 C PRO A 51 0.233 12.211 -5.980 1.00 0.00 C ATOM 786 O PRO A 51 -0.487 11.350 -5.478 1.00 0.00 O ATOM 787 CB PRO A 51 -1.378 14.170 -6.179 1.00 0.00 C ATOM 788 CG PRO A 51 -1.121 14.927 -7.472 1.00 0.00 C ATOM 789 CD PRO A 51 0.372 15.199 -7.564 1.00 0.00 C ATOM 0 HA PRO A 51 0.061 13.785 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.049 13.328 -6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.852 14.813 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.456 14.343 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.681 15.862 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.789 14.808 -8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.582 16.269 -7.546 1.00 0.00 H new ATOM 797 N SER A 52 1.255 11.959 -6.785 1.00 0.00 N ATOM 798 CA SER A 52 1.608 10.596 -7.141 1.00 0.00 C ATOM 799 C SER A 52 2.566 10.014 -6.099 1.00 0.00 C ATOM 800 O SER A 52 2.355 8.907 -5.607 1.00 0.00 O ATOM 801 CB SER A 52 2.240 10.536 -8.533 1.00 0.00 C ATOM 802 OG SER A 52 1.634 9.539 -9.352 1.00 0.00 O ATOM 0 H SER A 52 1.850 12.676 -7.201 1.00 0.00 H new ATOM 0 HA SER A 52 0.695 10.001 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.146 11.509 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.306 10.329 -8.439 1.00 0.00 H new ATOM 0 HG SER A 52 2.064 9.533 -10.233 1.00 0.00 H new ATOM 808 N PHE A 53 3.597 10.787 -5.793 1.00 0.00 N ATOM 809 CA PHE A 53 4.588 10.363 -4.818 1.00 0.00 C ATOM 810 C PHE A 53 4.224 10.856 -3.416 1.00 0.00 C ATOM 811 O PHE A 53 3.431 11.784 -3.268 1.00 0.00 O ATOM 812 CB PHE A 53 5.922 10.985 -5.235 1.00 0.00 C ATOM 813 CG PHE A 53 6.770 10.091 -6.141 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.403 9.004 -5.623 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.891 10.382 -7.464 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.191 8.174 -6.464 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.679 9.551 -8.304 1.00 0.00 C ATOM 818 CZ PHE A 53 8.312 8.465 -7.787 1.00 0.00 C ATOM 0 H PHE A 53 3.768 11.705 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 53 4.639 9.275 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.727 11.926 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.495 11.225 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.306 8.772 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.388 11.245 -7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.694 7.311 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.775 9.782 -9.355 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.911 7.833 -8.427 1.00 0.00 H new ATOM 828 N PHE A 54 4.822 10.213 -2.424 1.00 0.00 N ATOM 829 CA PHE A 54 4.571 10.575 -1.039 1.00 0.00 C ATOM 830 C PHE A 54 5.830 10.398 -0.189 1.00 0.00 C ATOM 831 O PHE A 54 6.634 9.503 -0.444 1.00 0.00 O ATOM 832 CB PHE A 54 3.483 9.633 -0.521 1.00 0.00 C ATOM 833 CG PHE A 54 3.763 8.152 -0.788 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.762 7.518 -0.118 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.013 7.472 -1.695 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.021 6.144 -0.365 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.273 6.098 -1.943 1.00 0.00 C ATOM 838 CZ PHE A 54 4.272 5.463 -1.273 1.00 0.00 C ATOM 0 H PHE A 54 5.480 9.444 -2.552 1.00 0.00 H new ATOM 0 HA PHE A 54 4.268 11.620 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.368 9.783 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.533 9.902 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.358 8.059 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.220 7.976 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.813 5.640 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.677 5.557 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.470 4.418 -1.462 1.00 0.00 H new ATOM 848 N ASN A 55 5.963 11.265 0.804 1.00 0.00 N ATOM 849 CA ASN A 55 7.111 11.216 1.693 1.00 0.00 C ATOM 850 C ASN A 55 7.092 9.898 2.470 1.00 0.00 C ATOM 851 O ASN A 55 6.035 9.295 2.652 1.00 0.00 O ATOM 852 CB ASN A 55 7.073 12.362 2.705 1.00 0.00 C ATOM 853 CG ASN A 55 7.643 13.647 2.100 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.779 14.025 2.336 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.793 14.295 1.309 1.00 0.00 N ATOM 0 H ASN A 55 5.294 12.006 1.013 1.00 0.00 H new ATOM 0 HA ASN A 55 8.012 11.301 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.046 12.532 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.645 12.088 3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.078 15.164 0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.856 13.923 1.154 1.00 0.00 H new ATOM 862 N CYS A 56 8.274 9.489 2.908 1.00 0.00 N ATOM 863 CA CYS A 56 8.406 8.254 3.662 1.00 0.00 C ATOM 864 C CYS A 56 8.316 8.588 5.152 1.00 0.00 C ATOM 865 O CYS A 56 8.972 9.516 5.624 1.00 0.00 O ATOM 866 CB CYS A 56 9.704 7.519 3.319 1.00 0.00 C ATOM 867 SG CYS A 56 11.128 8.372 4.088 1.00 0.00 S ATOM 0 H CYS A 56 9.149 9.991 2.755 1.00 0.00 H new ATOM 0 HA CYS A 56 7.598 7.573 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.653 6.489 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.834 7.479 2.238 1.00 0.00 H new ATOM 0 HG CYS A 56 10.705 9.154 5.036 1.00 0.00 H new ATOM 873 N ASP A 57 7.499 7.815 5.851 1.00 0.00 N ATOM 874 CA ASP A 57 7.315 8.017 7.278 1.00 0.00 C ATOM 875 C ASP A 57 8.562 7.535 8.022 1.00 0.00 C ATOM 876 O ASP A 57 9.166 8.289 8.783 1.00 0.00 O ATOM 877 CB ASP A 57 6.117 7.220 7.797 1.00 0.00 C ATOM 878 CG ASP A 57 5.002 8.062 8.422 1.00 0.00 C ATOM 879 OD1 ASP A 57 4.489 8.947 7.703 1.00 0.00 O ATOM 880 OD2 ASP A 57 4.687 7.801 9.603 1.00 0.00 O ATOM 0 H ASP A 57 6.956 7.047 5.456 1.00 0.00 H new ATOM 0 HA ASP A 57 7.142 9.080 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.698 6.644 6.972 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.470 6.504 8.539 1.00 0.00 H new ATOM 885 N ALA A 58 8.910 6.280 7.776 1.00 0.00 N ATOM 886 CA ALA A 58 10.074 5.689 8.414 1.00 0.00 C ATOM 887 C ALA A 58 10.005 4.166 8.279 1.00 0.00 C ATOM 888 O ALA A 58 11.036 3.497 8.225 1.00 0.00 O ATOM 889 CB ALA A 58 10.143 6.142 9.873 1.00 0.00 C ATOM 0 H ALA A 58 8.407 5.657 7.144 1.00 0.00 H new ATOM 0 HA ALA A 58 10.990 6.023 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.016 5.698 10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.220 7.229 9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.242 5.823 10.396 1.00 0.00 H new ATOM 895 N ALA A 59 8.780 3.663 8.229 1.00 0.00 N ATOM 896 CA ALA A 59 8.564 2.232 8.102 1.00 0.00 C ATOM 897 C ALA A 59 8.374 1.879 6.625 1.00 0.00 C ATOM 898 O ALA A 59 8.468 0.713 6.245 1.00 0.00 O ATOM 899 CB ALA A 59 7.365 1.819 8.959 1.00 0.00 C ATOM 0 H ALA A 59 7.927 4.221 8.274 1.00 0.00 H new ATOM 0 HA ALA A 59 9.430 1.679 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.202 0.745 8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.561 2.065 10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.476 2.352 8.622 1.00 0.00 H new ATOM 905 N LEU A 60 8.109 2.907 5.833 1.00 0.00 N ATOM 906 CA LEU A 60 7.905 2.720 4.407 1.00 0.00 C ATOM 907 C LEU A 60 9.261 2.539 3.721 1.00 0.00 C ATOM 908 O LEU A 60 9.333 2.029 2.604 1.00 0.00 O ATOM 909 CB LEU A 60 7.073 3.867 3.829 1.00 0.00 C ATOM 910 CG LEU A 60 5.556 3.663 3.832 1.00 0.00 C ATOM 911 CD1 LEU A 60 4.825 4.978 3.555 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.150 2.563 2.849 1.00 0.00 C ATOM 0 H LEU A 60 8.031 3.873 6.152 1.00 0.00 H new ATOM 0 HA LEU A 60 7.329 1.813 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.299 4.773 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.394 4.041 2.802 1.00 0.00 H new ATOM 0 HG LEU A 60 5.257 3.333 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.749 4.805 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.081 5.706 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.124 5.362 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.067 2.438 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.464 2.840 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.629 1.626 3.133 1.00 0.00 H new ATOM 924 N GLN A 61 10.303 2.966 4.419 1.00 0.00 N ATOM 925 CA GLN A 61 11.652 2.857 3.892 1.00 0.00 C ATOM 926 C GLN A 61 12.115 1.399 3.914 1.00 0.00 C ATOM 927 O GLN A 61 12.334 0.798 2.863 1.00 0.00 O ATOM 928 CB GLN A 61 12.619 3.751 4.672 1.00 0.00 C ATOM 929 CG GLN A 61 12.919 5.038 3.901 1.00 0.00 C ATOM 930 CD GLN A 61 14.412 5.153 3.586 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.231 4.372 4.041 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.719 6.169 2.785 1.00 0.00 N ATOM 0 H GLN A 61 10.240 3.388 5.345 1.00 0.00 H new ATOM 0 HA GLN A 61 11.645 3.200 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.190 3.996 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.547 3.211 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.346 5.053 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.600 5.900 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.984 6.786 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.690 6.332 2.516 1.00 0.00 H new ATOM 941 N LYS A 62 12.249 0.872 5.122 1.00 0.00 N ATOM 942 CA LYS A 62 12.681 -0.505 5.294 1.00 0.00 C ATOM 943 C LYS A 62 12.015 -1.380 4.231 1.00 0.00 C ATOM 944 O LYS A 62 12.583 -2.384 3.803 1.00 0.00 O ATOM 945 CB LYS A 62 12.422 -0.972 6.728 1.00 0.00 C ATOM 946 CG LYS A 62 13.616 -0.656 7.631 1.00 0.00 C ATOM 947 CD LYS A 62 13.933 -1.835 8.553 1.00 0.00 C ATOM 948 CE LYS A 62 15.277 -2.469 8.190 1.00 0.00 C ATOM 949 NZ LYS A 62 16.356 -1.919 9.040 1.00 0.00 N ATOM 0 H LYS A 62 12.066 1.373 5.991 1.00 0.00 H new ATOM 0 HA LYS A 62 13.758 -0.589 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.528 -0.485 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.229 -2.045 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.488 -0.423 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.400 0.230 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.955 -1.496 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.143 -2.582 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.222 -3.550 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.502 -2.282 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.261 -2.360 8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.419 -0.891 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.147 -2.119 10.039 1.00 0.00 H new ATOM 963 N VAL A 63 10.818 -0.970 3.837 1.00 0.00 N ATOM 964 CA VAL A 63 10.068 -1.704 2.833 1.00 0.00 C ATOM 965 C VAL A 63 10.628 -1.382 1.446 1.00 0.00 C ATOM 966 O VAL A 63 11.100 -2.272 0.741 1.00 0.00 O ATOM 967 CB VAL A 63 8.576 -1.392 2.962 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.777 -2.058 1.839 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.045 -1.811 4.335 1.00 0.00 C ATOM 0 H VAL A 63 10.349 -0.138 4.196 1.00 0.00 H new ATOM 0 HA VAL A 63 10.176 -2.778 2.986 1.00 0.00 H new ATOM 0 HB VAL A 63 8.450 -0.313 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.720 -1.820 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.129 -1.690 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.913 -3.138 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.982 -1.578 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.191 -2.883 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.583 -1.271 5.114 1.00 0.00 H new ATOM 979 N PHE A 64 10.558 -0.105 1.097 1.00 0.00 N ATOM 980 CA PHE A 64 11.053 0.346 -0.192 1.00 0.00 C ATOM 981 C PHE A 64 12.519 0.773 -0.098 1.00 0.00 C ATOM 982 O PHE A 64 13.393 0.137 -0.684 1.00 0.00 O ATOM 983 CB PHE A 64 10.207 1.554 -0.598 1.00 0.00 C ATOM 984 CG PHE A 64 8.710 1.256 -0.711 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.276 0.255 -1.522 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.814 1.994 -0.002 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.887 -0.022 -1.628 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.426 1.717 -0.107 1.00 0.00 C ATOM 989 CZ PHE A 64 5.991 0.715 -0.918 1.00 0.00 C ATOM 0 H PHE A 64 10.166 0.631 1.685 1.00 0.00 H new ATOM 0 HA PHE A 64 10.984 -0.462 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.354 2.350 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.565 1.930 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.988 -0.330 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.159 2.791 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.542 -0.817 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.715 2.302 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.935 0.505 -0.998 1.00 0.00 H new ATOM 999 N GLY A 65 12.742 1.848 0.643 1.00 0.00 N ATOM 1000 CA GLY A 65 14.088 2.368 0.822 1.00 0.00 C ATOM 1001 C GLY A 65 14.290 3.653 0.017 1.00 0.00 C ATOM 1002 O GLY A 65 15.423 4.050 -0.251 1.00 0.00 O ATOM 0 H GLY A 65 12.014 2.374 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.268 2.564 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.816 1.620 0.508 1.00 0.00 H new ATOM 1006 N GLU A 66 13.174 4.268 -0.347 1.00 0.00 N ATOM 1007 CA GLU A 66 13.214 5.500 -1.116 1.00 0.00 C ATOM 1008 C GLU A 66 12.528 6.629 -0.345 1.00 0.00 C ATOM 1009 O GLU A 66 11.439 6.444 0.197 1.00 0.00 O ATOM 1010 CB GLU A 66 12.575 5.308 -2.492 1.00 0.00 C ATOM 1011 CG GLU A 66 13.370 4.306 -3.331 1.00 0.00 C ATOM 1012 CD GLU A 66 13.723 4.895 -4.699 1.00 0.00 C ATOM 1013 OE1 GLU A 66 12.786 5.037 -5.514 1.00 0.00 O ATOM 1014 OE2 GLU A 66 14.922 5.188 -4.899 1.00 0.00 O ATOM 0 H GLU A 66 12.236 3.936 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 66 14.257 5.775 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.550 4.957 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.527 6.265 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.283 4.028 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.788 3.394 -3.463 1.00 0.00 H new ATOM 1021 N GLU A 67 13.193 7.775 -0.320 1.00 0.00 N ATOM 1022 CA GLU A 67 12.660 8.935 0.375 1.00 0.00 C ATOM 1023 C GLU A 67 11.146 9.025 0.174 1.00 0.00 C ATOM 1024 O GLU A 67 10.405 9.281 1.122 1.00 0.00 O ATOM 1025 CB GLU A 67 13.352 10.218 -0.088 1.00 0.00 C ATOM 1026 CG GLU A 67 13.191 10.413 -1.597 1.00 0.00 C ATOM 1027 CD GLU A 67 13.915 11.677 -2.067 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.444 12.773 -1.694 1.00 0.00 O ATOM 1029 OE2 GLU A 67 14.923 11.518 -2.788 1.00 0.00 O ATOM 0 H GLU A 67 14.096 7.925 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 67 12.859 8.819 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.931 11.074 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.411 10.176 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.588 9.545 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.132 10.481 -1.848 1.00 0.00 H new ATOM 1036 N LYS A 68 10.732 8.810 -1.066 1.00 0.00 N ATOM 1037 CA LYS A 68 9.320 8.864 -1.403 1.00 0.00 C ATOM 1038 C LYS A 68 9.019 7.828 -2.488 1.00 0.00 C ATOM 1039 O LYS A 68 9.900 7.463 -3.264 1.00 0.00 O ATOM 1040 CB LYS A 68 8.914 10.289 -1.784 1.00 0.00 C ATOM 1041 CG LYS A 68 9.763 10.809 -2.946 1.00 0.00 C ATOM 1042 CD LYS A 68 8.900 11.559 -3.963 1.00 0.00 C ATOM 1043 CE LYS A 68 9.735 12.572 -4.749 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.155 13.688 -3.873 1.00 0.00 N ATOM 0 H LYS A 68 11.350 8.598 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 68 8.712 8.605 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.860 10.309 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.029 10.946 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.541 11.471 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.266 9.975 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.442 10.848 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.088 12.073 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.613 12.081 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.155 12.958 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.332 14.535 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.403 13.890 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.026 13.425 -3.369 1.00 0.00 H new ATOM 1058 N LEU A 69 7.771 7.383 -2.506 1.00 0.00 N ATOM 1059 CA LEU A 69 7.343 6.396 -3.483 1.00 0.00 C ATOM 1060 C LEU A 69 6.010 6.833 -4.093 1.00 0.00 C ATOM 1061 O LEU A 69 5.303 7.661 -3.520 1.00 0.00 O ATOM 1062 CB LEU A 69 7.304 5.002 -2.854 1.00 0.00 C ATOM 1063 CG LEU A 69 7.929 3.876 -3.681 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.030 3.164 -2.893 1.00 0.00 C ATOM 1065 CD2 LEU A 69 6.859 2.902 -4.178 1.00 0.00 C ATOM 0 H LEU A 69 7.043 7.688 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 69 8.062 6.332 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.813 5.045 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.264 4.744 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 69 8.396 4.317 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.458 2.368 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.810 3.879 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.608 2.737 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.330 2.112 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.342 2.463 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.142 3.436 -4.801 1.00 0.00 H new ATOM 1077 N LYS A 70 5.706 6.257 -5.246 1.00 0.00 N ATOM 1078 CA LYS A 70 4.469 6.577 -5.940 1.00 0.00 C ATOM 1079 C LYS A 70 3.323 5.770 -5.327 1.00 0.00 C ATOM 1080 O LYS A 70 3.555 4.842 -4.555 1.00 0.00 O ATOM 1081 CB LYS A 70 4.631 6.368 -7.447 1.00 0.00 C ATOM 1082 CG LYS A 70 5.985 6.890 -7.931 1.00 0.00 C ATOM 1083 CD LYS A 70 6.192 6.585 -9.416 1.00 0.00 C ATOM 1084 CE LYS A 70 5.776 7.774 -10.283 1.00 0.00 C ATOM 1085 NZ LYS A 70 5.006 7.313 -11.460 1.00 0.00 N ATOM 0 H LYS A 70 6.294 5.570 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 70 4.222 7.631 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.541 5.308 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.829 6.881 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.044 7.966 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.784 6.433 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.240 6.346 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.611 5.706 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.174 8.467 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.661 8.320 -10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.731 8.133 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.593 6.670 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.152 6.812 -11.142 1.00 0.00 H new ATOM 1099 N PHE A 71 2.109 6.155 -5.693 1.00 0.00 N ATOM 1100 CA PHE A 71 0.925 5.480 -5.189 1.00 0.00 C ATOM 1101 C PHE A 71 0.432 4.425 -6.181 1.00 0.00 C ATOM 1102 O PHE A 71 -0.524 3.703 -5.901 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.158 6.546 -5.015 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.032 7.356 -3.723 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.168 6.740 -2.518 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.216 8.692 -3.780 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.051 7.492 -1.319 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.332 9.444 -2.581 1.00 0.00 C ATOM 1109 CZ PHE A 71 0.196 8.828 -1.376 1.00 0.00 C ATOM 0 H PHE A 71 1.920 6.926 -6.333 1.00 0.00 H new ATOM 0 HA PHE A 71 1.155 4.977 -4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.122 7.228 -5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.135 6.063 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.365 5.679 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.325 9.181 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.158 7.003 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.528 10.505 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.284 9.400 -0.464 1.00 0.00 H new ATOM 1119 N THR A 72 1.105 4.369 -7.321 1.00 0.00 N ATOM 1120 CA THR A 72 0.747 3.415 -8.356 1.00 0.00 C ATOM 1121 C THR A 72 1.887 2.420 -8.582 1.00 0.00 C ATOM 1122 O THR A 72 1.650 1.270 -8.946 1.00 0.00 O ATOM 1123 CB THR A 72 0.367 4.200 -9.613 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.618 4.608 -10.158 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.345 5.515 -9.288 1.00 0.00 C ATOM 0 H THR A 72 1.897 4.970 -7.550 1.00 0.00 H new ATOM 0 HA THR A 72 -0.113 2.814 -8.059 1.00 0.00 H new ATOM 0 HB THR A 72 -0.275 3.586 -10.245 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.465 5.123 -10.978 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.593 6.033 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.260 5.306 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.310 6.144 -8.685 1.00 0.00 H new ATOM 1133 N MET A 73 3.102 2.901 -8.358 1.00 0.00 N ATOM 1134 CA MET A 73 4.280 2.069 -8.534 1.00 0.00 C ATOM 1135 C MET A 73 4.547 1.227 -7.284 1.00 0.00 C ATOM 1136 O MET A 73 5.616 0.634 -7.148 1.00 0.00 O ATOM 1137 CB MET A 73 5.493 2.955 -8.822 1.00 0.00 C ATOM 1138 CG MET A 73 6.088 3.508 -7.525 1.00 0.00 C ATOM 1139 SD MET A 73 7.545 2.578 -7.077 1.00 0.00 S ATOM 1140 CE MET A 73 8.594 2.955 -8.471 1.00 0.00 C ATOM 0 H MET A 73 3.295 3.856 -8.056 1.00 0.00 H new ATOM 0 HA MET A 73 4.105 1.395 -9.373 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.249 2.380 -9.357 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.200 3.779 -9.472 1.00 0.00 H new ATOM 0 HG2 MET A 73 6.343 4.560 -7.652 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.351 3.453 -6.724 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.975 2.029 -8.900 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.019 3.494 -9.224 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.429 3.573 -8.141 1.00 0.00 H new ATOM 1150 N VAL A 74 3.557 1.201 -6.404 1.00 0.00 N ATOM 1151 CA VAL A 74 3.672 0.442 -5.170 1.00 0.00 C ATOM 1152 C VAL A 74 3.499 -1.047 -5.475 1.00 0.00 C ATOM 1153 O VAL A 74 4.142 -1.891 -4.852 1.00 0.00 O ATOM 1154 CB VAL A 74 2.668 0.962 -4.140 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.857 0.267 -2.790 1.00 0.00 C ATOM 1156 CG2 VAL A 74 2.769 2.482 -3.994 1.00 0.00 C ATOM 0 H VAL A 74 2.671 1.693 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 74 4.662 0.572 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 74 1.667 0.726 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.131 0.655 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.710 -0.806 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.865 0.456 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.044 2.826 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.774 2.750 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.561 2.954 -4.954 1.00 0.00 H new ATOM 1166 N SER A 75 2.628 -1.325 -6.434 1.00 0.00 N ATOM 1167 CA SER A 75 2.362 -2.698 -6.829 1.00 0.00 C ATOM 1168 C SER A 75 3.636 -3.339 -7.381 1.00 0.00 C ATOM 1169 O SER A 75 3.776 -4.561 -7.369 1.00 0.00 O ATOM 1170 CB SER A 75 1.241 -2.765 -7.867 1.00 0.00 C ATOM 1171 OG SER A 75 0.473 -3.960 -7.748 1.00 0.00 O ATOM 0 H SER A 75 2.097 -0.623 -6.949 1.00 0.00 H new ATOM 0 HA SER A 75 2.037 -3.251 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.587 -1.901 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.670 -2.708 -8.868 1.00 0.00 H new ATOM 0 HG SER A 75 0.990 -4.634 -7.259 1.00 0.00 H new ATOM 1177 N GLN A 76 4.533 -2.486 -7.853 1.00 0.00 N ATOM 1178 CA GLN A 76 5.792 -2.954 -8.409 1.00 0.00 C ATOM 1179 C GLN A 76 6.892 -2.906 -7.347 1.00 0.00 C ATOM 1180 O GLN A 76 8.077 -2.905 -7.676 1.00 0.00 O ATOM 1181 CB GLN A 76 6.183 -2.138 -9.643 1.00 0.00 C ATOM 1182 CG GLN A 76 6.526 -0.697 -9.260 1.00 0.00 C ATOM 1183 CD GLN A 76 7.493 -0.077 -10.271 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.703 -0.115 -10.116 1.00 0.00 O ATOM 1185 NE2 GLN A 76 6.894 0.496 -11.311 1.00 0.00 N ATOM 0 H GLN A 76 4.413 -1.473 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 76 5.665 -3.990 -8.725 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.039 -2.601 -10.134 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.363 -2.142 -10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.614 -0.103 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.972 -0.677 -8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.876 0.492 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.452 0.939 -12.041 1.00 0.00 H new ATOM 1194 N LYS A 77 6.461 -2.867 -6.095 1.00 0.00 N ATOM 1195 CA LYS A 77 7.394 -2.819 -4.983 1.00 0.00 C ATOM 1196 C LYS A 77 6.925 -3.777 -3.887 1.00 0.00 C ATOM 1197 O LYS A 77 7.676 -4.654 -3.461 1.00 0.00 O ATOM 1198 CB LYS A 77 7.580 -1.378 -4.502 1.00 0.00 C ATOM 1199 CG LYS A 77 8.308 -0.539 -5.554 1.00 0.00 C ATOM 1200 CD LYS A 77 9.669 -0.069 -5.034 1.00 0.00 C ATOM 1201 CE LYS A 77 10.055 1.279 -5.649 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.488 1.563 -5.417 1.00 0.00 N ATOM 0 H LYS A 77 5.477 -2.868 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 77 8.381 -3.156 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.608 -0.934 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.147 -1.372 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.445 -1.126 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.699 0.324 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.637 0.018 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.430 -0.813 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.849 1.269 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.446 2.072 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.733 2.481 -5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.675 1.593 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.065 0.816 -5.853 1.00 0.00 H new ATOM 1216 N ILE A 78 5.686 -3.578 -3.462 1.00 0.00 N ATOM 1217 CA ILE A 78 5.108 -4.414 -2.423 1.00 0.00 C ATOM 1218 C ILE A 78 5.138 -5.876 -2.875 1.00 0.00 C ATOM 1219 O ILE A 78 5.374 -6.774 -2.069 1.00 0.00 O ATOM 1220 CB ILE A 78 3.711 -3.915 -2.049 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.773 -3.955 -3.257 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.777 -2.522 -1.420 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.863 -5.184 -3.204 1.00 0.00 C ATOM 0 H ILE A 78 5.066 -2.850 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 78 5.699 -4.350 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 78 3.297 -4.588 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.166 -3.050 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.359 -3.971 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.771 -2.191 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.388 -2.559 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.219 -1.823 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.206 -5.188 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.472 -6.088 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.261 -5.152 -2.296 1.00 0.00 H new ATOM 1235 N SER A 79 4.895 -6.068 -4.164 1.00 0.00 N ATOM 1236 CA SER A 79 4.891 -7.405 -4.733 1.00 0.00 C ATOM 1237 C SER A 79 6.006 -8.244 -4.105 1.00 0.00 C ATOM 1238 O SER A 79 5.739 -9.267 -3.476 1.00 0.00 O ATOM 1239 CB SER A 79 5.054 -7.357 -6.253 1.00 0.00 C ATOM 1240 OG SER A 79 6.424 -7.287 -6.641 1.00 0.00 O ATOM 0 H SER A 79 4.700 -5.320 -4.830 1.00 0.00 H new ATOM 0 HA SER A 79 3.929 -7.868 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.597 -8.242 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.521 -6.492 -6.648 1.00 0.00 H new ATOM 0 HG SER A 79 6.486 -7.260 -7.619 1.00 0.00 H new ATOM 1246 N HIS A 80 7.232 -7.781 -4.299 1.00 0.00 N ATOM 1247 CA HIS A 80 8.389 -8.476 -3.760 1.00 0.00 C ATOM 1248 C HIS A 80 8.079 -8.967 -2.345 1.00 0.00 C ATOM 1249 O HIS A 80 8.363 -10.114 -2.005 1.00 0.00 O ATOM 1250 CB HIS A 80 9.633 -7.588 -3.821 1.00 0.00 C ATOM 1251 CG HIS A 80 10.728 -8.125 -4.712 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.463 -9.255 -4.398 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.204 -7.676 -5.909 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.339 -9.467 -5.369 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.177 -8.487 -6.304 1.00 0.00 N ATOM 0 H HIS A 80 7.450 -6.933 -4.822 1.00 0.00 H new ATOM 0 HA HIS A 80 8.609 -9.352 -4.371 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.343 -6.598 -4.175 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.028 -7.463 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.849 -6.808 -6.444 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.055 -10.274 -5.413 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.715 -8.393 -7.165 1.00 0.00 H new ATOM 1263 N HIS A 81 7.501 -8.073 -1.556 1.00 0.00 N ATOM 1264 CA HIS A 81 7.149 -8.400 -0.185 1.00 0.00 C ATOM 1265 C HIS A 81 6.034 -9.448 -0.177 1.00 0.00 C ATOM 1266 O HIS A 81 6.075 -10.398 0.603 1.00 0.00 O ATOM 1267 CB HIS A 81 6.783 -7.138 0.598 1.00 0.00 C ATOM 1268 CG HIS A 81 7.913 -6.145 0.726 1.00 0.00 C ATOM 1269 ND1 HIS A 81 8.936 -6.288 1.646 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.170 -4.994 0.040 1.00 0.00 C ATOM 1271 CE1 HIS A 81 9.766 -5.264 1.513 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.289 -4.462 0.517 1.00 0.00 N ATOM 0 H HIS A 81 7.268 -7.122 -1.841 1.00 0.00 H new ATOM 0 HA HIS A 81 8.011 -8.834 0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.939 -6.651 0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.451 -7.425 1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.566 -4.585 -0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.662 -5.094 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.721 -3.597 0.193 1.00 0.00 H new ATOM 1280 N LEU A 82 5.064 -9.239 -1.055 1.00 0.00 N ATOM 1281 CA LEU A 82 3.939 -10.153 -1.159 1.00 0.00 C ATOM 1282 C LEU A 82 4.462 -11.580 -1.330 1.00 0.00 C ATOM 1283 O LEU A 82 5.106 -11.893 -2.330 1.00 0.00 O ATOM 1284 CB LEU A 82 2.988 -9.708 -2.272 1.00 0.00 C ATOM 1285 CG LEU A 82 2.510 -8.257 -2.206 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.396 -7.999 -3.223 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.085 -7.884 -0.784 1.00 0.00 C ATOM 0 H LEU A 82 5.034 -8.450 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 82 3.349 -10.137 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.484 -9.863 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.114 -10.359 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 82 3.346 -7.610 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.075 -6.960 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.768 -8.199 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.551 -8.655 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.749 -6.847 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.271 -8.535 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.932 -8.004 -0.108 1.00 0.00 H new ATOM 1299 N SER A 83 4.166 -12.408 -0.339 1.00 0.00 N ATOM 1300 CA SER A 83 4.598 -13.795 -0.368 1.00 0.00 C ATOM 1301 C SER A 83 3.415 -14.719 -0.071 1.00 0.00 C ATOM 1302 O SER A 83 2.426 -14.295 0.526 1.00 0.00 O ATOM 1303 CB SER A 83 5.728 -14.041 0.634 1.00 0.00 C ATOM 1304 OG SER A 83 6.933 -14.445 -0.008 1.00 0.00 O ATOM 0 H SER A 83 3.632 -12.145 0.489 1.00 0.00 H new ATOM 0 HA SER A 83 4.979 -14.013 -1.366 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.910 -13.131 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.421 -14.808 1.345 1.00 0.00 H new ATOM 0 HG SER A 83 7.630 -14.590 0.666 1.00 0.00 H new ATOM 1310 N PRO A 84 3.558 -15.997 -0.513 1.00 0.00 N ATOM 1311 CA PRO A 84 2.513 -16.984 -0.301 1.00 0.00 C ATOM 1312 C PRO A 84 2.489 -17.453 1.155 1.00 0.00 C ATOM 1313 O PRO A 84 3.499 -17.927 1.675 1.00 0.00 O ATOM 1314 CB PRO A 84 2.824 -18.103 -1.281 1.00 0.00 C ATOM 1315 CG PRO A 84 4.281 -17.920 -1.674 1.00 0.00 C ATOM 1316 CD PRO A 84 4.715 -16.534 -1.224 1.00 0.00 C ATOM 0 HA PRO A 84 1.515 -16.584 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.663 -19.079 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.174 -18.049 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.901 -18.685 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.402 -18.027 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.590 -16.584 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.983 -15.907 -2.074 1.00 0.00 H new ATOM 1324 N PRO A 85 1.296 -17.301 1.789 1.00 0.00 N ATOM 1325 CA PRO A 85 1.127 -17.704 3.174 1.00 0.00 C ATOM 1326 C PRO A 85 1.037 -19.226 3.296 1.00 0.00 C ATOM 1327 O PRO A 85 0.980 -19.930 2.289 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.134 -16.995 3.640 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.879 -16.596 2.376 1.00 0.00 C ATOM 1330 CD PRO A 85 0.079 -16.744 1.205 1.00 0.00 C ATOM 0 HA PRO A 85 1.977 -17.428 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.743 -17.651 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.110 -16.120 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.756 -17.228 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.235 -15.568 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.330 -17.403 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.273 -15.783 0.728 1.00 0.00 H new ATOM 1338 N PRO A 86 1.027 -19.702 4.570 1.00 0.00 N ATOM 1339 CA PRO A 86 0.945 -21.128 4.836 1.00 0.00 C ATOM 1340 C PRO A 86 -0.473 -21.650 4.593 1.00 0.00 C ATOM 1341 O PRO A 86 -1.431 -20.879 4.596 1.00 0.00 O ATOM 1342 CB PRO A 86 1.397 -21.285 6.279 1.00 0.00 C ATOM 1343 CG PRO A 86 1.270 -19.907 6.908 1.00 0.00 C ATOM 1344 CD PRO A 86 1.093 -18.897 5.787 1.00 0.00 C ATOM 0 HA PRO A 86 1.574 -21.718 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.779 -22.013 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.425 -21.644 6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.419 -19.875 7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.157 -19.673 7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.185 -18.310 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.925 -18.194 5.752 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.563 -22.990 4.384 1.00 0.00 N ATOM 1353 CA PRO A 87 -1.848 -23.625 4.140 1.00 0.00 C ATOM 1354 C PRO A 87 -2.658 -23.737 5.433 1.00 0.00 C ATOM 1355 O PRO A 87 -2.090 -23.804 6.522 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.510 -24.976 3.531 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.055 -25.240 3.884 1.00 0.00 C ATOM 1358 CD PRO A 87 0.550 -23.934 4.373 1.00 0.00 C ATOM 0 HA PRO A 87 -2.482 -23.048 3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.157 -25.757 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.654 -24.964 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.018 -26.007 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.488 -25.610 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.984 -24.046 5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.349 -23.596 3.713 1.00 0.00 H new ATOM 1366 N SER A 88 -3.973 -23.755 5.270 1.00 0.00 N ATOM 1367 CA SER A 88 -4.867 -23.859 6.410 1.00 0.00 C ATOM 1368 C SER A 88 -6.321 -23.870 5.936 1.00 0.00 C ATOM 1369 O SER A 88 -7.060 -22.913 6.164 1.00 0.00 O ATOM 1370 CB SER A 88 -4.638 -22.710 7.395 1.00 0.00 C ATOM 1371 OG SER A 88 -4.996 -21.449 6.837 1.00 0.00 O ATOM 0 H SER A 88 -4.440 -23.699 4.365 1.00 0.00 H new ATOM 0 HA SER A 88 -4.654 -24.794 6.928 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.222 -22.885 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.589 -22.691 7.692 1.00 0.00 H new ATOM 0 HG SER A 88 -5.874 -21.519 6.407 1.00 0.00 H new ATOM 1377 N GLY A 89 -6.689 -24.963 5.284 1.00 0.00 N ATOM 1378 CA GLY A 89 -8.043 -25.111 4.776 1.00 0.00 C ATOM 1379 C GLY A 89 -8.076 -26.057 3.574 1.00 0.00 C ATOM 1380 O GLY A 89 -7.767 -25.654 2.453 1.00 0.00 O ATOM 0 H GLY A 89 -6.074 -25.754 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.691 -25.495 5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.436 -24.136 4.487 1.00 0.00 H new ATOM 1384 N PRO A 90 -8.463 -27.330 3.855 1.00 0.00 N ATOM 1385 CA PRO A 90 -8.541 -28.337 2.810 1.00 0.00 C ATOM 1386 C PRO A 90 -9.774 -28.119 1.930 1.00 0.00 C ATOM 1387 O PRO A 90 -10.886 -28.480 2.312 1.00 0.00 O ATOM 1388 CB PRO A 90 -8.564 -29.667 3.546 1.00 0.00 C ATOM 1389 CG PRO A 90 -8.967 -29.345 4.976 1.00 0.00 C ATOM 1390 CD PRO A 90 -8.837 -27.843 5.170 1.00 0.00 C ATOM 0 HA PRO A 90 -7.698 -28.294 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.273 -30.356 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.586 -30.148 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.991 -29.667 5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.329 -29.878 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.774 -27.406 5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.081 -27.604 5.918 1.00 0.00 H new ATOM 1398 N SER A 91 -9.534 -27.530 0.767 1.00 0.00 N ATOM 1399 CA SER A 91 -10.611 -27.260 -0.171 1.00 0.00 C ATOM 1400 C SER A 91 -10.043 -27.071 -1.579 1.00 0.00 C ATOM 1401 O SER A 91 -9.345 -26.094 -1.844 1.00 0.00 O ATOM 1402 CB SER A 91 -11.411 -26.026 0.249 1.00 0.00 C ATOM 1403 OG SER A 91 -12.340 -26.320 1.289 1.00 0.00 O ATOM 0 H SER A 91 -8.610 -27.232 0.453 1.00 0.00 H new ATOM 0 HA SER A 91 -11.287 -28.115 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.726 -25.247 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.946 -25.630 -0.614 1.00 0.00 H new ATOM 0 HG SER A 91 -12.044 -27.117 1.777 1.00 0.00 H new ATOM 1409 N SER A 92 -10.364 -28.022 -2.444 1.00 0.00 N ATOM 1410 CA SER A 92 -9.894 -27.972 -3.818 1.00 0.00 C ATOM 1411 C SER A 92 -10.898 -28.668 -4.740 1.00 0.00 C ATOM 1412 O SER A 92 -11.406 -28.062 -5.681 1.00 0.00 O ATOM 1413 CB SER A 92 -8.514 -28.618 -3.953 1.00 0.00 C ATOM 1414 OG SER A 92 -7.496 -27.654 -4.210 1.00 0.00 O ATOM 0 H SER A 92 -10.943 -28.831 -2.220 1.00 0.00 H new ATOM 0 HA SER A 92 -9.805 -26.926 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.277 -29.161 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.533 -29.349 -4.761 1.00 0.00 H new ATOM 0 HG SER A 92 -6.630 -28.106 -4.288 1.00 0.00 H new ATOM 1420 N GLY A 93 -11.152 -29.933 -4.436 1.00 0.00 N ATOM 1421 CA GLY A 93 -12.086 -30.718 -5.226 1.00 0.00 C ATOM 1422 C GLY A 93 -13.509 -30.173 -5.094 1.00 0.00 C ATOM 1423 O GLY A 93 -14.423 -30.642 -5.771 1.00 0.00 O ATOM 0 H GLY A 93 -10.728 -30.433 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.783 -30.704 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.059 -31.758 -4.900 1.00 0.00 H new TER 1427 GLY A 93