USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 36 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.52) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0.989 (180deg=0.67) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0942 (180deg=-0.349) USER MOD Single : A 38 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.69) USER MOD Single : A 44 TYR OH : rot -168:sc= 1.1 USER MOD Single : A 46 HIS : no HD1:sc= -3.05 X(o=-3,f=-3.1!) USER MOD Single : A 54 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.12 F(o=-3,f=-1.1) USER MOD Single : A 68 SER OG : rot 180:sc= -0.117 USER MOD Single : A 70 ASN : amide:sc= -1.85 X(o=-1.8,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -154:sc= -2.48 (180deg=-3.88!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 104 SER OG : rot -54:sc= 0.0866 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.545 13.615 -18.811 1.00 0.00 N ATOM 2 CA GLY A 1 -19.147 13.604 -18.420 1.00 0.00 C ATOM 3 C GLY A 1 -18.265 14.352 -19.400 1.00 0.00 C ATOM 4 O GLY A 1 -18.299 15.581 -19.462 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.106 13.091 -18.109 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.884 14.597 -18.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.648 13.165 -19.743 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.046 14.051 -17.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.803 12.573 -18.341 1.00 0.00 H new ATOM 8 N SER A 2 -17.472 13.611 -20.166 1.00 0.00 N ATOM 9 CA SER A 2 -16.573 14.212 -21.143 1.00 0.00 C ATOM 10 C SER A 2 -15.541 15.102 -20.457 1.00 0.00 C ATOM 11 O SER A 2 -15.877 15.899 -19.581 1.00 0.00 O ATOM 12 CB SER A 2 -17.368 15.027 -22.165 1.00 0.00 C ATOM 13 OG SER A 2 -16.506 15.800 -22.983 1.00 0.00 O ATOM 0 H SER A 2 -17.434 12.592 -20.129 1.00 0.00 H new ATOM 0 HA SER A 2 -16.048 13.408 -21.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.961 14.357 -22.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.068 15.683 -21.647 1.00 0.00 H new ATOM 0 HG SER A 2 -17.038 16.310 -23.629 1.00 0.00 H new ATOM 19 N SER A 3 -14.283 14.960 -20.862 1.00 0.00 N ATOM 20 CA SER A 3 -13.200 15.748 -20.284 1.00 0.00 C ATOM 21 C SER A 3 -13.113 15.528 -18.777 1.00 0.00 C ATOM 22 O SER A 3 -13.926 16.049 -18.014 1.00 0.00 O ATOM 23 CB SER A 3 -13.407 17.234 -20.584 1.00 0.00 C ATOM 24 OG SER A 3 -12.523 18.036 -19.819 1.00 0.00 O ATOM 0 H SER A 3 -13.988 14.307 -21.588 1.00 0.00 H new ATOM 0 HA SER A 3 -12.263 15.421 -20.735 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.245 17.420 -21.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.438 17.512 -20.365 1.00 0.00 H new ATOM 0 HG SER A 3 -12.674 18.981 -20.030 1.00 0.00 H new ATOM 30 N GLY A 4 -12.120 14.752 -18.354 1.00 0.00 N ATOM 31 CA GLY A 4 -11.943 14.477 -16.941 1.00 0.00 C ATOM 32 C GLY A 4 -11.672 15.731 -16.135 1.00 0.00 C ATOM 33 O GLY A 4 -12.060 16.829 -16.533 1.00 0.00 O ATOM 0 H GLY A 4 -11.435 14.309 -18.966 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.837 13.987 -16.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.116 13.779 -16.811 1.00 0.00 H new ATOM 37 N SER A 5 -11.005 15.569 -14.996 1.00 0.00 N ATOM 38 CA SER A 5 -10.687 16.697 -14.129 1.00 0.00 C ATOM 39 C SER A 5 -9.278 16.563 -13.558 1.00 0.00 C ATOM 40 O SER A 5 -8.984 15.626 -12.816 1.00 0.00 O ATOM 41 CB SER A 5 -11.704 16.796 -12.991 1.00 0.00 C ATOM 42 OG SER A 5 -11.437 17.915 -12.163 1.00 0.00 O ATOM 0 H SER A 5 -10.675 14.667 -14.653 1.00 0.00 H new ATOM 0 HA SER A 5 -10.733 17.607 -14.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.709 16.877 -13.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.677 15.884 -12.395 1.00 0.00 H new ATOM 0 HG SER A 5 -12.102 17.956 -11.445 1.00 0.00 H new ATOM 48 N SER A 6 -8.411 17.507 -13.910 1.00 0.00 N ATOM 49 CA SER A 6 -7.032 17.493 -13.436 1.00 0.00 C ATOM 50 C SER A 6 -6.484 16.070 -13.401 1.00 0.00 C ATOM 51 O SER A 6 -6.593 15.376 -12.390 1.00 0.00 O ATOM 52 CB SER A 6 -6.943 18.121 -12.044 1.00 0.00 C ATOM 53 OG SER A 6 -5.609 18.111 -11.564 1.00 0.00 O ATOM 0 H SER A 6 -8.639 18.291 -14.522 1.00 0.00 H new ATOM 0 HA SER A 6 -6.429 18.078 -14.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.312 19.146 -12.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.585 17.575 -11.353 1.00 0.00 H new ATOM 0 HG SER A 6 -5.579 18.519 -10.674 1.00 0.00 H new ATOM 59 N GLY A 7 -5.894 15.641 -14.512 1.00 0.00 N ATOM 60 CA GLY A 7 -5.338 14.303 -14.589 1.00 0.00 C ATOM 61 C GLY A 7 -4.129 14.126 -13.691 1.00 0.00 C ATOM 62 O GLY A 7 -4.204 14.358 -12.485 1.00 0.00 O ATOM 0 H GLY A 7 -5.791 16.197 -15.361 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.103 13.578 -14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.056 14.089 -15.620 1.00 0.00 H new ATOM 66 N SER A 8 -3.012 13.712 -14.280 1.00 0.00 N ATOM 67 CA SER A 8 -1.783 13.498 -13.525 1.00 0.00 C ATOM 68 C SER A 8 -0.580 13.411 -14.458 1.00 0.00 C ATOM 69 O SER A 8 -0.052 12.333 -14.733 1.00 0.00 O ATOM 70 CB SER A 8 -1.889 12.220 -12.690 1.00 0.00 C ATOM 71 OG SER A 8 -1.055 12.288 -11.546 1.00 0.00 O ATOM 0 H SER A 8 -2.933 13.518 -15.278 1.00 0.00 H new ATOM 0 HA SER A 8 -1.642 14.349 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.923 12.068 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.608 11.360 -13.298 1.00 0.00 H new ATOM 0 HG SER A 8 -1.142 11.460 -11.028 1.00 0.00 H new ATOM 77 N PRO A 9 -0.134 14.573 -14.958 1.00 0.00 N ATOM 78 CA PRO A 9 1.012 14.655 -15.869 1.00 0.00 C ATOM 79 C PRO A 9 2.330 14.338 -15.171 1.00 0.00 C ATOM 80 O PRO A 9 3.288 13.893 -15.804 1.00 0.00 O ATOM 81 CB PRO A 9 0.991 16.113 -16.334 1.00 0.00 C ATOM 82 CG PRO A 9 0.299 16.850 -15.240 1.00 0.00 C ATOM 83 CD PRO A 9 -0.715 15.895 -14.674 1.00 0.00 C ATOM 0 HA PRO A 9 0.940 13.933 -16.682 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.001 16.493 -16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.460 16.219 -17.280 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.007 17.166 -14.474 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.183 17.751 -15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.859 16.049 -13.605 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.689 16.016 -15.148 1.00 0.00 H new ATOM 91 N LEU A 10 2.373 14.570 -13.863 1.00 0.00 N ATOM 92 CA LEU A 10 3.574 14.308 -13.079 1.00 0.00 C ATOM 93 C LEU A 10 3.869 12.813 -13.017 1.00 0.00 C ATOM 94 O LEU A 10 2.956 11.988 -13.047 1.00 0.00 O ATOM 95 CB LEU A 10 3.415 14.866 -11.664 1.00 0.00 C ATOM 96 CG LEU A 10 3.461 16.389 -11.534 1.00 0.00 C ATOM 97 CD1 LEU A 10 2.067 16.980 -11.676 1.00 0.00 C ATOM 98 CD2 LEU A 10 4.080 16.793 -10.204 1.00 0.00 C ATOM 0 H LEU A 10 1.590 14.939 -13.324 1.00 0.00 H new ATOM 0 HA LEU A 10 4.412 14.805 -13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.465 14.516 -11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.201 14.444 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 10 4.084 16.783 -12.337 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.120 18.065 -11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.660 16.721 -12.653 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.420 16.578 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.104 17.880 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.484 16.386 -9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.096 16.402 -10.142 1.00 0.00 H new ATOM 110 N ASP A 11 5.150 12.471 -12.929 1.00 0.00 N ATOM 111 CA ASP A 11 5.565 11.075 -12.859 1.00 0.00 C ATOM 112 C ASP A 11 5.785 10.644 -11.413 1.00 0.00 C ATOM 113 O ASP A 11 6.366 11.383 -10.616 1.00 0.00 O ATOM 114 CB ASP A 11 6.846 10.861 -13.668 1.00 0.00 C ATOM 115 CG ASP A 11 6.849 11.645 -14.966 1.00 0.00 C ATOM 116 OD1 ASP A 11 7.047 12.876 -14.914 1.00 0.00 O ATOM 117 OD2 ASP A 11 6.651 11.027 -16.033 1.00 0.00 O ATOM 0 H ASP A 11 5.918 13.141 -12.904 1.00 0.00 H new ATOM 0 HA ASP A 11 4.769 10.464 -13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.706 11.156 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.960 9.800 -13.888 1.00 0.00 H new ATOM 122 N ARG A 12 5.317 9.446 -11.079 1.00 0.00 N ATOM 123 CA ARG A 12 5.460 8.919 -9.727 1.00 0.00 C ATOM 124 C ARG A 12 6.868 9.166 -9.194 1.00 0.00 C ATOM 125 O ARG A 12 7.789 9.459 -9.957 1.00 0.00 O ATOM 126 CB ARG A 12 5.151 7.421 -9.706 1.00 0.00 C ATOM 127 CG ARG A 12 6.216 6.569 -10.377 1.00 0.00 C ATOM 128 CD ARG A 12 5.783 6.128 -11.766 1.00 0.00 C ATOM 129 NE ARG A 12 6.924 5.878 -12.642 1.00 0.00 N ATOM 130 CZ ARG A 12 6.814 5.387 -13.872 1.00 0.00 C ATOM 131 NH1 ARG A 12 5.619 5.096 -14.368 1.00 0.00 N ATOM 132 NH2 ARG A 12 7.899 5.188 -14.608 1.00 0.00 N ATOM 0 H ARG A 12 4.835 8.822 -11.726 1.00 0.00 H new ATOM 0 HA ARG A 12 4.750 9.439 -9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.037 7.097 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.195 7.249 -10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.145 7.134 -10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.422 5.692 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.181 5.223 -11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.148 6.896 -12.208 1.00 0.00 H new ATOM 0 HE ARG A 12 7.857 6.092 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.782 5.249 -13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.537 4.719 -15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.820 5.412 -14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.813 4.811 -15.552 1.00 0.00 H new ATOM 146 N ASP A 13 7.027 9.047 -7.880 1.00 0.00 N ATOM 147 CA ASP A 13 8.322 9.257 -7.244 1.00 0.00 C ATOM 148 C ASP A 13 9.415 8.477 -7.968 1.00 0.00 C ATOM 149 O ASP A 13 9.158 7.477 -8.639 1.00 0.00 O ATOM 150 CB ASP A 13 8.267 8.838 -5.774 1.00 0.00 C ATOM 151 CG ASP A 13 7.713 9.931 -4.881 1.00 0.00 C ATOM 152 OD1 ASP A 13 7.046 10.846 -5.408 1.00 0.00 O ATOM 153 OD2 ASP A 13 7.948 9.873 -3.656 1.00 0.00 O ATOM 0 H ASP A 13 6.275 8.806 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 13 8.559 10.319 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.649 7.945 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.269 8.571 -5.438 1.00 0.00 H new ATOM 158 N PRO A 14 10.665 8.943 -7.830 1.00 0.00 N ATOM 159 CA PRO A 14 11.823 8.304 -8.464 1.00 0.00 C ATOM 160 C PRO A 14 12.153 6.953 -7.839 1.00 0.00 C ATOM 161 O PRO A 14 12.610 6.038 -8.522 1.00 0.00 O ATOM 162 CB PRO A 14 12.958 9.301 -8.215 1.00 0.00 C ATOM 163 CG PRO A 14 12.546 10.048 -6.994 1.00 0.00 C ATOM 164 CD PRO A 14 11.045 10.130 -7.046 1.00 0.00 C ATOM 0 HA PRO A 14 11.646 8.093 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.908 8.789 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.089 9.972 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.878 9.534 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.991 11.043 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.607 10.110 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.709 11.051 -7.523 1.00 0.00 H new ATOM 172 N ALA A 15 11.920 6.836 -6.536 1.00 0.00 N ATOM 173 CA ALA A 15 12.190 5.596 -5.819 1.00 0.00 C ATOM 174 C ALA A 15 10.938 4.732 -5.725 1.00 0.00 C ATOM 175 O ALA A 15 10.800 3.919 -4.811 1.00 0.00 O ATOM 176 CB ALA A 15 12.733 5.897 -4.430 1.00 0.00 C ATOM 0 H ALA A 15 11.545 7.586 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 15 12.942 5.039 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.930 4.962 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.658 6.466 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.000 6.479 -3.871 1.00 0.00 H new ATOM 182 N PHE A 16 10.026 4.914 -6.674 1.00 0.00 N ATOM 183 CA PHE A 16 8.783 4.152 -6.697 1.00 0.00 C ATOM 184 C PHE A 16 9.041 2.701 -7.094 1.00 0.00 C ATOM 185 O PHE A 16 9.398 2.414 -8.237 1.00 0.00 O ATOM 186 CB PHE A 16 7.787 4.789 -7.668 1.00 0.00 C ATOM 187 CG PHE A 16 6.674 3.866 -8.076 1.00 0.00 C ATOM 188 CD1 PHE A 16 5.672 3.528 -7.181 1.00 0.00 C ATOM 189 CD2 PHE A 16 6.630 3.337 -9.356 1.00 0.00 C ATOM 190 CE1 PHE A 16 4.648 2.679 -7.554 1.00 0.00 C ATOM 191 CE2 PHE A 16 5.608 2.487 -9.735 1.00 0.00 C ATOM 192 CZ PHE A 16 4.615 2.159 -8.833 1.00 0.00 C ATOM 0 H PHE A 16 10.124 5.583 -7.438 1.00 0.00 H new ATOM 0 HA PHE A 16 8.360 4.165 -5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.359 5.679 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.321 5.118 -8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.692 3.933 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.403 3.592 -10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.874 2.422 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.586 2.080 -10.735 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.814 1.497 -9.127 1.00 0.00 H new ATOM 202 N ARG A 17 8.859 1.792 -6.143 1.00 0.00 N ATOM 203 CA ARG A 17 9.074 0.371 -6.392 1.00 0.00 C ATOM 204 C ARG A 17 7.760 -0.400 -6.313 1.00 0.00 C ATOM 205 O ARG A 17 6.852 -0.025 -5.570 1.00 0.00 O ATOM 206 CB ARG A 17 10.074 -0.199 -5.385 1.00 0.00 C ATOM 207 CG ARG A 17 11.517 -0.144 -5.861 1.00 0.00 C ATOM 208 CD ARG A 17 12.276 -1.406 -5.484 1.00 0.00 C ATOM 209 NE ARG A 17 13.714 -1.266 -5.704 1.00 0.00 N ATOM 210 CZ ARG A 17 14.281 -1.306 -6.904 1.00 0.00 C ATOM 211 NH1 ARG A 17 13.537 -1.480 -7.988 1.00 0.00 N ATOM 212 NH2 ARG A 17 15.596 -1.171 -7.023 1.00 0.00 N ATOM 0 H ARG A 17 8.563 2.013 -5.192 1.00 0.00 H new ATOM 0 HA ARG A 17 9.479 0.261 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.988 0.352 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.810 -1.235 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.540 -0.014 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.012 0.724 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.091 -1.641 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.899 -2.244 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 17 14.315 -1.130 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.526 -1.584 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.976 -1.510 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.172 -1.036 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.030 -1.202 -7.945 1.00 0.00 H new ATOM 226 N VAL A 18 7.665 -1.478 -7.084 1.00 0.00 N ATOM 227 CA VAL A 18 6.462 -2.303 -7.100 1.00 0.00 C ATOM 228 C VAL A 18 6.809 -3.783 -6.985 1.00 0.00 C ATOM 229 O VAL A 18 7.586 -4.313 -7.780 1.00 0.00 O ATOM 230 CB VAL A 18 5.645 -2.077 -8.386 1.00 0.00 C ATOM 231 CG1 VAL A 18 4.340 -2.856 -8.333 1.00 0.00 C ATOM 232 CG2 VAL A 18 5.382 -0.594 -8.596 1.00 0.00 C ATOM 0 H VAL A 18 8.406 -1.801 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 18 5.862 -2.006 -6.240 1.00 0.00 H new ATOM 0 HB VAL A 18 6.225 -2.443 -9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.776 -2.684 -9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.555 -3.920 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.752 -2.523 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.804 -0.453 -9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.823 -0.200 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.331 -0.065 -8.682 1.00 0.00 H new ATOM 242 N ILE A 19 6.228 -4.445 -5.990 1.00 0.00 N ATOM 243 CA ILE A 19 6.474 -5.864 -5.771 1.00 0.00 C ATOM 244 C ILE A 19 5.167 -6.648 -5.720 1.00 0.00 C ATOM 245 O ILE A 19 4.082 -6.075 -5.826 1.00 0.00 O ATOM 246 CB ILE A 19 7.256 -6.106 -4.466 1.00 0.00 C ATOM 247 CG1 ILE A 19 6.444 -5.623 -3.263 1.00 0.00 C ATOM 248 CG2 ILE A 19 8.604 -5.403 -4.518 1.00 0.00 C ATOM 249 CD1 ILE A 19 5.780 -6.743 -2.492 1.00 0.00 C ATOM 0 H ILE A 19 5.584 -4.021 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 19 7.072 -6.213 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 19 7.430 -7.176 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.100 -5.069 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.679 -4.927 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.145 -5.583 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.184 -5.790 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.451 -4.331 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.222 -6.326 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.098 -7.283 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.541 -7.428 -2.117 1.00 0.00 H new ATOM 261 N THR A 20 5.277 -7.962 -5.554 1.00 0.00 N ATOM 262 CA THR A 20 4.104 -8.825 -5.487 1.00 0.00 C ATOM 263 C THR A 20 4.206 -9.802 -4.322 1.00 0.00 C ATOM 264 O THR A 20 5.285 -10.310 -4.016 1.00 0.00 O ATOM 265 CB THR A 20 3.916 -9.619 -6.794 1.00 0.00 C ATOM 266 OG1 THR A 20 4.860 -9.178 -7.776 1.00 0.00 O ATOM 267 CG2 THR A 20 2.503 -9.452 -7.330 1.00 0.00 C ATOM 0 H THR A 20 6.167 -8.452 -5.463 1.00 0.00 H new ATOM 0 HA THR A 20 3.241 -8.175 -5.338 1.00 0.00 H new ATOM 0 HB THR A 20 4.083 -10.674 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.735 -9.689 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.394 -10.022 -8.253 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.788 -9.817 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.312 -8.398 -7.530 1.00 0.00 H new ATOM 275 N VAL A 21 3.075 -10.063 -3.674 1.00 0.00 N ATOM 276 CA VAL A 21 3.036 -10.981 -2.542 1.00 0.00 C ATOM 277 C VAL A 21 2.104 -12.155 -2.819 1.00 0.00 C ATOM 278 O VAL A 21 1.018 -11.983 -3.374 1.00 0.00 O ATOM 279 CB VAL A 21 2.579 -10.268 -1.256 1.00 0.00 C ATOM 280 CG1 VAL A 21 2.199 -11.284 -0.189 1.00 0.00 C ATOM 281 CG2 VAL A 21 3.667 -9.333 -0.750 1.00 0.00 C ATOM 0 H VAL A 21 2.173 -9.651 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 21 4.051 -11.352 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 21 1.697 -9.671 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.879 -10.762 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.385 -11.909 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.061 -11.910 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.327 -8.837 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.569 -9.907 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.886 -8.584 -1.511 1.00 0.00 H new ATOM 291 N THR A 22 2.534 -13.351 -2.427 1.00 0.00 N ATOM 292 CA THR A 22 1.738 -14.554 -2.633 1.00 0.00 C ATOM 293 C THR A 22 0.401 -14.460 -1.907 1.00 0.00 C ATOM 294 O THR A 22 0.338 -14.569 -0.682 1.00 0.00 O ATOM 295 CB THR A 22 2.485 -15.811 -2.149 1.00 0.00 C ATOM 296 OG1 THR A 22 3.829 -15.802 -2.640 1.00 0.00 O ATOM 297 CG2 THR A 22 1.777 -17.075 -2.615 1.00 0.00 C ATOM 0 H THR A 22 3.429 -13.512 -1.965 1.00 0.00 H new ATOM 0 HA THR A 22 1.561 -14.636 -3.705 1.00 0.00 H new ATOM 0 HB THR A 22 2.497 -15.802 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.297 -16.604 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.323 -17.949 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.764 -17.093 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.737 -17.089 -3.704 1.00 0.00 H new ATOM 305 N LYS A 23 -0.668 -14.258 -2.669 1.00 0.00 N ATOM 306 CA LYS A 23 -2.006 -14.151 -2.099 1.00 0.00 C ATOM 307 C LYS A 23 -2.611 -15.532 -1.868 1.00 0.00 C ATOM 308 O LYS A 23 -2.775 -16.312 -2.806 1.00 0.00 O ATOM 309 CB LYS A 23 -2.912 -13.333 -3.022 1.00 0.00 C ATOM 310 CG LYS A 23 -4.388 -13.445 -2.681 1.00 0.00 C ATOM 311 CD LYS A 23 -5.253 -13.427 -3.931 1.00 0.00 C ATOM 312 CE LYS A 23 -5.616 -12.007 -4.336 1.00 0.00 C ATOM 313 NZ LYS A 23 -5.963 -11.913 -5.781 1.00 0.00 N ATOM 0 H LYS A 23 -0.634 -14.165 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.925 -13.644 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.615 -12.285 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.759 -13.660 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.565 -14.367 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.675 -12.621 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.723 -13.916 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.163 -14.000 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.459 -11.663 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.779 -11.343 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.972 -10.914 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.257 -12.430 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.903 -12.328 -5.940 1.00 0.00 H new ATOM 327 N GLU A 24 -2.942 -15.826 -0.615 1.00 0.00 N ATOM 328 CA GLU A 24 -3.530 -17.113 -0.263 1.00 0.00 C ATOM 329 C GLU A 24 -4.812 -16.924 0.543 1.00 0.00 C ATOM 330 O GLU A 24 -5.859 -17.478 0.206 1.00 0.00 O ATOM 331 CB GLU A 24 -2.532 -17.953 0.537 1.00 0.00 C ATOM 332 CG GLU A 24 -2.817 -19.445 0.491 1.00 0.00 C ATOM 333 CD GLU A 24 -1.579 -20.266 0.187 1.00 0.00 C ATOM 334 OE1 GLU A 24 -0.784 -20.507 1.119 1.00 0.00 O ATOM 335 OE2 GLU A 24 -1.407 -20.668 -0.983 1.00 0.00 O ATOM 0 H GLU A 24 -2.813 -15.191 0.173 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.776 -17.636 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.528 -17.772 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.541 -17.622 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.232 -19.761 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.575 -19.643 -0.267 1.00 0.00 H new ATOM 342 N THR A 25 -4.722 -16.137 1.611 1.00 0.00 N ATOM 343 CA THR A 25 -5.873 -15.875 2.466 1.00 0.00 C ATOM 344 C THR A 25 -6.419 -14.470 2.238 1.00 0.00 C ATOM 345 O THR A 25 -7.627 -14.245 2.302 1.00 0.00 O ATOM 346 CB THR A 25 -5.515 -16.039 3.955 1.00 0.00 C ATOM 347 OG1 THR A 25 -4.485 -15.112 4.316 1.00 0.00 O ATOM 348 CG2 THR A 25 -5.052 -17.458 4.247 1.00 0.00 C ATOM 0 H THR A 25 -3.864 -15.670 1.904 1.00 0.00 H new ATOM 0 HA THR A 25 -6.637 -16.606 2.201 1.00 0.00 H new ATOM 0 HB THR A 25 -6.409 -15.837 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.264 -15.221 5.265 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.805 -17.550 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.849 -18.159 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.170 -17.684 3.647 1.00 0.00 H new ATOM 356 N GLY A 26 -5.521 -13.527 1.971 1.00 0.00 N ATOM 357 CA GLY A 26 -5.932 -12.155 1.737 1.00 0.00 C ATOM 358 C GLY A 26 -4.843 -11.157 2.075 1.00 0.00 C ATOM 359 O GLY A 26 -3.719 -11.540 2.404 1.00 0.00 O ATOM 0 H GLY A 26 -4.516 -13.689 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.216 -12.038 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.818 -11.938 2.334 1.00 0.00 H new ATOM 363 N LEU A 27 -5.173 -9.873 1.992 1.00 0.00 N ATOM 364 CA LEU A 27 -4.213 -8.815 2.290 1.00 0.00 C ATOM 365 C LEU A 27 -3.840 -8.819 3.769 1.00 0.00 C ATOM 366 O LEU A 27 -2.726 -9.188 4.138 1.00 0.00 O ATOM 367 CB LEU A 27 -4.788 -7.453 1.900 1.00 0.00 C ATOM 368 CG LEU A 27 -3.997 -6.664 0.856 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.716 -6.112 1.461 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.686 -7.539 -0.350 1.00 0.00 C ATOM 0 H LEU A 27 -6.098 -9.539 1.721 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.311 -9.001 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.800 -7.603 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.870 -6.844 2.801 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.608 -5.825 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.167 -5.554 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.962 -5.451 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.100 -6.935 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.123 -6.961 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.095 -8.398 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.617 -7.885 -0.799 1.00 0.00 H new ATOM 382 N GLY A 28 -4.782 -8.406 4.612 1.00 0.00 N ATOM 383 CA GLY A 28 -4.534 -8.372 6.042 1.00 0.00 C ATOM 384 C GLY A 28 -3.511 -7.322 6.428 1.00 0.00 C ATOM 385 O GLY A 28 -2.678 -7.549 7.307 1.00 0.00 O ATOM 0 H GLY A 28 -5.712 -8.095 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.469 -8.173 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.187 -9.351 6.371 1.00 0.00 H new ATOM 389 N LEU A 29 -3.570 -6.170 5.768 1.00 0.00 N ATOM 390 CA LEU A 29 -2.640 -5.081 6.046 1.00 0.00 C ATOM 391 C LEU A 29 -3.376 -3.862 6.592 1.00 0.00 C ATOM 392 O LEU A 29 -4.577 -3.698 6.373 1.00 0.00 O ATOM 393 CB LEU A 29 -1.875 -4.702 4.777 1.00 0.00 C ATOM 394 CG LEU A 29 -0.629 -5.535 4.470 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.352 -5.475 5.631 1.00 0.00 C ATOM 396 CD2 LEU A 29 -1.013 -6.976 4.167 1.00 0.00 C ATOM 0 H LEU A 29 -4.252 -5.966 5.037 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.933 -5.424 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.556 -4.778 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.578 -3.656 4.854 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.143 -5.117 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.232 -6.073 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.651 -4.441 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.123 -5.868 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.115 -7.554 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.522 -7.406 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.677 -7.002 3.303 1.00 0.00 H new ATOM 408 N LYS A 30 -2.649 -3.007 7.303 1.00 0.00 N ATOM 409 CA LYS A 30 -3.230 -1.801 7.879 1.00 0.00 C ATOM 410 C LYS A 30 -2.612 -0.550 7.261 1.00 0.00 C ATOM 411 O LYS A 30 -1.415 -0.516 6.974 1.00 0.00 O ATOM 412 CB LYS A 30 -3.029 -1.786 9.396 1.00 0.00 C ATOM 413 CG LYS A 30 -3.680 -2.959 10.107 1.00 0.00 C ATOM 414 CD LYS A 30 -3.622 -2.797 11.617 1.00 0.00 C ATOM 415 CE LYS A 30 -4.547 -3.780 12.319 1.00 0.00 C ATOM 416 NZ LYS A 30 -3.855 -4.502 13.422 1.00 0.00 N ATOM 0 H LYS A 30 -1.654 -3.128 7.494 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.298 -1.803 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.961 -1.788 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.434 -0.858 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.719 -3.047 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.179 -3.883 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.599 -2.949 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.901 -1.778 11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.409 -3.245 12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.927 -4.501 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.429 -5.317 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.927 -4.834 13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.725 -3.860 14.230 1.00 0.00 H new ATOM 430 N ILE A 31 -3.435 0.473 7.060 1.00 0.00 N ATOM 431 CA ILE A 31 -2.967 1.726 6.479 1.00 0.00 C ATOM 432 C ILE A 31 -3.144 2.884 7.455 1.00 0.00 C ATOM 433 O ILE A 31 -3.899 2.786 8.423 1.00 0.00 O ATOM 434 CB ILE A 31 -3.713 2.053 5.172 1.00 0.00 C ATOM 435 CG1 ILE A 31 -5.215 2.183 5.434 1.00 0.00 C ATOM 436 CG2 ILE A 31 -3.443 0.981 4.126 1.00 0.00 C ATOM 437 CD1 ILE A 31 -5.757 3.569 5.163 1.00 0.00 C ATOM 0 H ILE A 31 -4.429 0.460 7.290 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.907 1.596 6.261 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.347 3.006 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.748 1.465 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.419 1.918 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.977 1.226 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.373 0.933 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.785 0.015 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.827 3.588 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.250 4.290 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.585 3.829 4.119 1.00 0.00 H new ATOM 449 N LEU A 32 -2.444 3.983 7.193 1.00 0.00 N ATOM 450 CA LEU A 32 -2.524 5.163 8.047 1.00 0.00 C ATOM 451 C LEU A 32 -2.570 6.438 7.212 1.00 0.00 C ATOM 452 O LEU A 32 -2.041 6.484 6.102 1.00 0.00 O ATOM 453 CB LEU A 32 -1.330 5.208 9.002 1.00 0.00 C ATOM 454 CG LEU A 32 -1.631 4.897 10.469 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.400 5.137 11.329 1.00 0.00 C ATOM 456 CD2 LEU A 32 -2.800 5.737 10.962 1.00 0.00 C ATOM 0 H LEU A 32 -1.815 4.081 6.396 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.444 5.098 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.580 4.500 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.883 6.201 8.946 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.905 3.845 10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.633 4.911 12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.412 4.493 10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.095 6.180 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.001 5.503 12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.553 6.795 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.684 5.516 10.365 1.00 0.00 H new ATOM 468 N GLY A 33 -3.204 7.473 7.754 1.00 0.00 N ATOM 469 CA GLY A 33 -3.305 8.735 7.046 1.00 0.00 C ATOM 470 C GLY A 33 -4.695 8.981 6.493 1.00 0.00 C ATOM 471 O GLY A 33 -5.679 8.455 7.012 1.00 0.00 O ATOM 0 H GLY A 33 -3.650 7.460 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.036 9.548 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.585 8.748 6.228 1.00 0.00 H new ATOM 475 N GLY A 34 -4.777 9.783 5.436 1.00 0.00 N ATOM 476 CA GLY A 34 -6.061 10.085 4.831 1.00 0.00 C ATOM 477 C GLY A 34 -6.295 11.575 4.679 1.00 0.00 C ATOM 478 O GLY A 34 -6.220 12.324 5.653 1.00 0.00 O ATOM 0 H GLY A 34 -3.977 10.229 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.118 9.610 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.856 9.656 5.441 1.00 0.00 H new ATOM 482 N ILE A 35 -6.576 12.005 3.453 1.00 0.00 N ATOM 483 CA ILE A 35 -6.821 13.415 3.177 1.00 0.00 C ATOM 484 C ILE A 35 -7.592 14.073 4.316 1.00 0.00 C ATOM 485 O ILE A 35 -7.426 15.262 4.586 1.00 0.00 O ATOM 486 CB ILE A 35 -7.604 13.604 1.865 1.00 0.00 C ATOM 487 CG1 ILE A 35 -8.773 12.619 1.797 1.00 0.00 C ATOM 488 CG2 ILE A 35 -6.683 13.425 0.667 1.00 0.00 C ATOM 489 CD1 ILE A 35 -9.644 12.798 0.573 1.00 0.00 C ATOM 0 H ILE A 35 -6.640 11.398 2.636 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.845 13.891 3.080 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.005 14.617 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.382 11.602 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.387 12.734 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.252 13.562 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.881 14.162 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.255 12.423 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.452 12.067 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.065 13.803 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.044 12.653 -0.325 1.00 0.00 H new ATOM 501 N ASN A 36 -8.435 13.291 4.982 1.00 0.00 N ATOM 502 CA ASN A 36 -9.232 13.797 6.094 1.00 0.00 C ATOM 503 C ASN A 36 -8.524 13.556 7.424 1.00 0.00 C ATOM 504 O ASN A 36 -8.626 14.363 8.348 1.00 0.00 O ATOM 505 CB ASN A 36 -10.608 13.129 6.107 1.00 0.00 C ATOM 506 CG ASN A 36 -10.529 11.646 6.412 1.00 0.00 C ATOM 507 OD1 ASN A 36 -10.525 11.239 7.574 1.00 0.00 O ATOM 508 ND2 ASN A 36 -10.465 10.830 5.367 1.00 0.00 N ATOM 0 H ASN A 36 -8.584 12.304 4.771 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.358 14.871 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.238 13.617 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.088 13.273 5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.410 9.822 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.471 11.211 4.421 1.00 0.00 H new ATOM 515 N ARG A 37 -7.808 12.440 7.513 1.00 0.00 N ATOM 516 CA ARG A 37 -7.084 12.092 8.730 1.00 0.00 C ATOM 517 C ARG A 37 -5.932 13.063 8.974 1.00 0.00 C ATOM 518 O ARG A 37 -5.654 13.932 8.148 1.00 0.00 O ATOM 519 CB ARG A 37 -6.548 10.662 8.640 1.00 0.00 C ATOM 520 CG ARG A 37 -7.609 9.599 8.876 1.00 0.00 C ATOM 521 CD ARG A 37 -8.229 9.729 10.259 1.00 0.00 C ATOM 522 NE ARG A 37 -8.666 8.439 10.786 1.00 0.00 N ATOM 523 CZ ARG A 37 -9.460 8.308 11.843 1.00 0.00 C ATOM 524 NH1 ARG A 37 -9.903 9.383 12.481 1.00 0.00 N ATOM 525 NH2 ARG A 37 -9.814 7.100 12.263 1.00 0.00 N ATOM 0 H ARG A 37 -7.714 11.761 6.757 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.779 12.160 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.106 10.510 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.750 10.535 9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.387 9.685 8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.165 8.610 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.504 10.172 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.080 10.409 10.212 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.344 7.592 10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.634 10.313 12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.513 9.280 13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.476 6.271 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.424 7.001 13.075 1.00 0.00 H new ATOM 539 N ASN A 38 -5.267 12.910 10.114 1.00 0.00 N ATOM 540 CA ASN A 38 -4.146 13.773 10.468 1.00 0.00 C ATOM 541 C ASN A 38 -2.833 13.204 9.939 1.00 0.00 C ATOM 542 O ASN A 38 -1.911 13.949 9.609 1.00 0.00 O ATOM 543 CB ASN A 38 -4.066 13.945 11.986 1.00 0.00 C ATOM 544 CG ASN A 38 -4.414 15.354 12.428 1.00 0.00 C ATOM 545 OD1 ASN A 38 -4.070 16.328 11.759 1.00 0.00 O ATOM 546 ND2 ASN A 38 -5.099 15.466 13.560 1.00 0.00 N ATOM 0 H ASN A 38 -5.485 12.196 10.809 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.311 14.747 10.008 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.744 13.239 12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.059 13.699 12.324 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.362 16.388 13.908 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.363 14.630 14.081 1.00 0.00 H new ATOM 553 N GLU A 39 -2.757 11.879 9.862 1.00 0.00 N ATOM 554 CA GLU A 39 -1.556 11.211 9.374 1.00 0.00 C ATOM 555 C GLU A 39 -1.365 11.458 7.881 1.00 0.00 C ATOM 556 O GLU A 39 -0.247 11.404 7.370 1.00 0.00 O ATOM 557 CB GLU A 39 -1.636 9.707 9.647 1.00 0.00 C ATOM 558 CG GLU A 39 -0.980 9.290 10.952 1.00 0.00 C ATOM 559 CD GLU A 39 0.488 9.666 11.014 1.00 0.00 C ATOM 560 OE1 GLU A 39 0.795 10.785 11.475 1.00 0.00 O ATOM 561 OE2 GLU A 39 1.329 8.841 10.600 1.00 0.00 O ATOM 0 H GLU A 39 -3.512 11.248 10.131 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.699 11.625 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.683 9.404 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.162 9.171 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.506 9.757 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.081 8.212 11.076 1.00 0.00 H new ATOM 568 N GLY A 40 -2.465 11.729 7.186 1.00 0.00 N ATOM 569 CA GLY A 40 -2.398 11.981 5.758 1.00 0.00 C ATOM 570 C GLY A 40 -1.695 13.283 5.431 1.00 0.00 C ATOM 571 O GLY A 40 -0.936 13.823 6.236 1.00 0.00 O ATOM 0 H GLY A 40 -3.402 11.779 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.876 11.158 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.408 12.004 5.349 1.00 0.00 H new ATOM 575 N PRO A 41 -1.944 13.807 4.221 1.00 0.00 N ATOM 576 CA PRO A 41 -2.844 13.173 3.254 1.00 0.00 C ATOM 577 C PRO A 41 -2.266 11.882 2.684 1.00 0.00 C ATOM 578 O PRO A 41 -2.988 11.071 2.101 1.00 0.00 O ATOM 579 CB PRO A 41 -2.983 14.228 2.154 1.00 0.00 C ATOM 580 CG PRO A 41 -1.737 15.040 2.248 1.00 0.00 C ATOM 581 CD PRO A 41 -1.365 15.058 3.705 1.00 0.00 C ATOM 0 HA PRO A 41 -3.792 12.884 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.081 13.765 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.869 14.844 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.940 14.603 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.900 16.051 1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.284 15.087 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.775 15.930 4.214 1.00 0.00 H new ATOM 589 N LEU A 42 -0.962 11.696 2.856 1.00 0.00 N ATOM 590 CA LEU A 42 -0.287 10.503 2.358 1.00 0.00 C ATOM 591 C LEU A 42 -0.736 9.263 3.126 1.00 0.00 C ATOM 592 O LEU A 42 -1.114 9.347 4.295 1.00 0.00 O ATOM 593 CB LEU A 42 1.230 10.665 2.473 1.00 0.00 C ATOM 594 CG LEU A 42 1.887 11.581 1.440 1.00 0.00 C ATOM 595 CD1 LEU A 42 1.405 11.237 0.039 1.00 0.00 C ATOM 596 CD2 LEU A 42 1.598 13.041 1.761 1.00 0.00 C ATOM 0 H LEU A 42 -0.351 12.356 3.337 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.554 10.376 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.460 11.048 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.687 9.679 2.398 1.00 0.00 H new ATOM 0 HG LEU A 42 2.965 11.427 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.883 11.899 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.662 10.203 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.324 11.362 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.073 13.678 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.521 13.210 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.992 13.281 2.748 1.00 0.00 H new ATOM 608 N VAL A 43 -0.691 8.113 2.461 1.00 0.00 N ATOM 609 CA VAL A 43 -1.091 6.855 3.081 1.00 0.00 C ATOM 610 C VAL A 43 0.115 5.953 3.318 1.00 0.00 C ATOM 611 O VAL A 43 0.902 5.698 2.406 1.00 0.00 O ATOM 612 CB VAL A 43 -2.118 6.104 2.215 1.00 0.00 C ATOM 613 CG1 VAL A 43 -2.418 4.735 2.808 1.00 0.00 C ATOM 614 CG2 VAL A 43 -3.393 6.922 2.071 1.00 0.00 C ATOM 0 H VAL A 43 -0.382 8.026 1.493 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.549 7.105 4.038 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.692 5.958 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.146 4.219 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.500 4.150 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.823 4.855 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.108 6.376 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.824 7.101 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.162 7.876 1.598 1.00 0.00 H new ATOM 624 N TYR A 44 0.253 5.471 4.549 1.00 0.00 N ATOM 625 CA TYR A 44 1.364 4.597 4.907 1.00 0.00 C ATOM 626 C TYR A 44 0.858 3.295 5.520 1.00 0.00 C ATOM 627 O TYR A 44 -0.343 3.123 5.734 1.00 0.00 O ATOM 628 CB TYR A 44 2.301 5.305 5.887 1.00 0.00 C ATOM 629 CG TYR A 44 2.150 6.809 5.890 1.00 0.00 C ATOM 630 CD1 TYR A 44 2.865 7.601 5.000 1.00 0.00 C ATOM 631 CD2 TYR A 44 1.293 7.439 6.784 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.731 8.976 5.000 1.00 0.00 C ATOM 633 CE2 TYR A 44 1.151 8.814 6.790 1.00 0.00 C ATOM 634 CZ TYR A 44 1.872 9.577 5.896 1.00 0.00 C ATOM 635 OH TYR A 44 1.735 10.947 5.900 1.00 0.00 O ATOM 0 H TYR A 44 -0.390 5.671 5.315 1.00 0.00 H new ATOM 0 HA TYR A 44 1.914 4.359 3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.114 4.928 6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.332 5.052 5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.537 7.133 4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.728 6.844 7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.296 9.577 4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.479 9.288 7.491 1.00 0.00 H new ATOM 0 HH TYR A 44 1.249 11.225 6.704 1.00 0.00 H new ATOM 645 N ILE A 45 1.781 2.383 5.801 1.00 0.00 N ATOM 646 CA ILE A 45 1.430 1.097 6.391 1.00 0.00 C ATOM 647 C ILE A 45 1.371 1.188 7.912 1.00 0.00 C ATOM 648 O ILE A 45 2.397 1.121 8.590 1.00 0.00 O ATOM 649 CB ILE A 45 2.436 0.001 5.993 1.00 0.00 C ATOM 650 CG1 ILE A 45 2.435 -0.195 4.475 1.00 0.00 C ATOM 651 CG2 ILE A 45 2.104 -1.304 6.700 1.00 0.00 C ATOM 652 CD1 ILE A 45 3.387 -1.272 4.004 1.00 0.00 C ATOM 0 H ILE A 45 2.778 2.510 5.630 1.00 0.00 H new ATOM 0 HA ILE A 45 0.445 0.832 6.006 1.00 0.00 H new ATOM 0 HB ILE A 45 3.434 0.315 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.425 -0.446 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.699 0.747 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.824 -2.069 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.149 -1.155 7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.101 -1.624 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.333 -1.356 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.404 -1.013 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.111 -2.225 4.455 1.00 0.00 H new ATOM 664 N HIS A 46 0.162 1.341 8.444 1.00 0.00 N ATOM 665 CA HIS A 46 -0.032 1.438 9.886 1.00 0.00 C ATOM 666 C HIS A 46 0.760 0.357 10.616 1.00 0.00 C ATOM 667 O HIS A 46 1.542 0.651 11.519 1.00 0.00 O ATOM 668 CB HIS A 46 -1.517 1.320 10.232 1.00 0.00 C ATOM 669 CG HIS A 46 -1.810 1.514 11.688 1.00 0.00 C ATOM 670 ND1 HIS A 46 -2.740 2.419 12.154 1.00 0.00 N ATOM 671 CD2 HIS A 46 -1.292 0.911 12.783 1.00 0.00 C ATOM 672 CE1 HIS A 46 -2.779 2.366 13.473 1.00 0.00 C ATOM 673 NE2 HIS A 46 -1.911 1.458 13.880 1.00 0.00 N ATOM 0 H HIS A 46 -0.697 1.400 7.898 1.00 0.00 H new ATOM 0 HA HIS A 46 0.333 2.412 10.211 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.076 2.058 9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.876 0.338 9.925 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.533 0.143 12.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.413 2.964 14.111 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.730 1.204 14.851 1.00 0.00 H new ATOM 682 N GLU A 47 0.550 -0.893 10.217 1.00 0.00 N ATOM 683 CA GLU A 47 1.244 -2.018 10.835 1.00 0.00 C ATOM 684 C GLU A 47 0.951 -3.315 10.087 1.00 0.00 C ATOM 685 O GLU A 47 -0.165 -3.535 9.617 1.00 0.00 O ATOM 686 CB GLU A 47 0.831 -2.157 12.302 1.00 0.00 C ATOM 687 CG GLU A 47 1.410 -3.386 12.983 1.00 0.00 C ATOM 688 CD GLU A 47 2.863 -3.204 13.378 1.00 0.00 C ATOM 689 OE1 GLU A 47 3.116 -2.608 14.446 1.00 0.00 O ATOM 690 OE2 GLU A 47 3.745 -3.657 12.620 1.00 0.00 O ATOM 0 H GLU A 47 -0.094 -1.153 9.470 1.00 0.00 H new ATOM 0 HA GLU A 47 2.315 -1.824 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.148 -1.267 12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.257 -2.197 12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.822 -3.615 13.872 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.324 -4.242 12.314 1.00 0.00 H new ATOM 697 N VAL A 48 1.962 -4.172 9.982 1.00 0.00 N ATOM 698 CA VAL A 48 1.814 -5.448 9.292 1.00 0.00 C ATOM 699 C VAL A 48 1.214 -6.504 10.214 1.00 0.00 C ATOM 700 O VAL A 48 1.929 -7.158 10.973 1.00 0.00 O ATOM 701 CB VAL A 48 3.166 -5.957 8.757 1.00 0.00 C ATOM 702 CG1 VAL A 48 2.973 -7.226 7.941 1.00 0.00 C ATOM 703 CG2 VAL A 48 3.851 -4.880 7.930 1.00 0.00 C ATOM 0 H VAL A 48 2.892 -4.006 10.366 1.00 0.00 H new ATOM 0 HA VAL A 48 1.141 -5.278 8.452 1.00 0.00 H new ATOM 0 HB VAL A 48 3.808 -6.194 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.939 -7.571 7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.528 -7.998 8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.314 -7.020 7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.805 -5.257 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.216 -4.610 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.024 -4.000 8.550 1.00 0.00 H new ATOM 713 N ILE A 49 -0.103 -6.665 10.140 1.00 0.00 N ATOM 714 CA ILE A 49 -0.799 -7.644 10.967 1.00 0.00 C ATOM 715 C ILE A 49 -0.113 -9.004 10.904 1.00 0.00 C ATOM 716 O ILE A 49 0.132 -9.555 9.830 1.00 0.00 O ATOM 717 CB ILE A 49 -2.269 -7.802 10.535 1.00 0.00 C ATOM 718 CG1 ILE A 49 -2.994 -6.457 10.615 1.00 0.00 C ATOM 719 CG2 ILE A 49 -2.967 -8.839 11.402 1.00 0.00 C ATOM 720 CD1 ILE A 49 -4.082 -6.295 9.576 1.00 0.00 C ATOM 0 H ILE A 49 -0.709 -6.131 9.517 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.768 -7.272 11.991 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.294 -8.146 9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.431 -6.347 11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.267 -5.654 10.496 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.005 -8.939 11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.461 -9.799 11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.935 -8.522 12.445 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.553 -5.319 9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.648 -6.372 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.830 -7.077 9.708 1.00 0.00 H new ATOM 732 N PRO A 50 0.204 -9.562 12.082 1.00 0.00 N ATOM 733 CA PRO A 50 0.864 -10.867 12.188 1.00 0.00 C ATOM 734 C PRO A 50 -0.053 -12.015 11.779 1.00 0.00 C ATOM 735 O PRO A 50 -0.855 -12.496 12.578 1.00 0.00 O ATOM 736 CB PRO A 50 1.216 -10.967 13.674 1.00 0.00 C ATOM 737 CG PRO A 50 0.227 -10.087 14.358 1.00 0.00 C ATOM 738 CD PRO A 50 -0.058 -8.963 13.401 1.00 0.00 C ATOM 0 HA PRO A 50 1.727 -10.943 11.526 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.144 -11.995 14.030 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.237 -10.636 13.862 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.684 -10.636 14.598 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.627 -9.707 15.298 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.087 -8.614 13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.586 -8.104 13.587 1.00 0.00 H new ATOM 746 N GLY A 51 0.073 -12.451 10.529 1.00 0.00 N ATOM 747 CA GLY A 51 -0.751 -13.539 10.037 1.00 0.00 C ATOM 748 C GLY A 51 -1.399 -13.220 8.704 1.00 0.00 C ATOM 749 O GLY A 51 -2.464 -13.745 8.382 1.00 0.00 O ATOM 0 H GLY A 51 0.731 -12.070 9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.140 -14.436 9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.526 -13.763 10.770 1.00 0.00 H new ATOM 753 N GLY A 52 -0.755 -12.354 7.927 1.00 0.00 N ATOM 754 CA GLY A 52 -1.291 -11.979 6.632 1.00 0.00 C ATOM 755 C GLY A 52 -0.428 -12.464 5.484 1.00 0.00 C ATOM 756 O GLY A 52 0.557 -13.172 5.696 1.00 0.00 O ATOM 0 H GLY A 52 0.128 -11.906 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.295 -12.389 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.382 -10.894 6.581 1.00 0.00 H new ATOM 760 N ASP A 53 -0.798 -12.084 4.266 1.00 0.00 N ATOM 761 CA ASP A 53 -0.050 -12.486 3.080 1.00 0.00 C ATOM 762 C ASP A 53 1.309 -11.794 3.034 1.00 0.00 C ATOM 763 O ASP A 53 2.333 -12.432 2.788 1.00 0.00 O ATOM 764 CB ASP A 53 -0.846 -12.159 1.815 1.00 0.00 C ATOM 765 CG ASP A 53 -1.622 -13.353 1.296 1.00 0.00 C ATOM 766 OD1 ASP A 53 -1.052 -14.464 1.266 1.00 0.00 O ATOM 767 OD2 ASP A 53 -2.800 -13.177 0.918 1.00 0.00 O ATOM 0 H ASP A 53 -1.611 -11.499 4.074 1.00 0.00 H new ATOM 0 HA ASP A 53 0.113 -13.563 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.538 -11.343 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.164 -11.808 1.041 1.00 0.00 H new ATOM 772 N CYS A 54 1.309 -10.487 3.272 1.00 0.00 N ATOM 773 CA CYS A 54 2.543 -9.708 3.255 1.00 0.00 C ATOM 774 C CYS A 54 3.389 -10.003 4.489 1.00 0.00 C ATOM 775 O CYS A 54 4.617 -10.047 4.416 1.00 0.00 O ATOM 776 CB CYS A 54 2.225 -8.213 3.185 1.00 0.00 C ATOM 777 SG CYS A 54 1.410 -7.702 1.654 1.00 0.00 S ATOM 0 H CYS A 54 0.470 -9.945 3.479 1.00 0.00 H new ATOM 0 HA CYS A 54 3.112 -9.993 2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.588 -7.948 4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.152 -7.650 3.296 1.00 0.00 H new ATOM 0 HG CYS A 54 1.181 -6.423 1.691 1.00 0.00 H new ATOM 783 N TYR A 55 2.724 -10.204 5.621 1.00 0.00 N ATOM 784 CA TYR A 55 3.415 -10.491 6.873 1.00 0.00 C ATOM 785 C TYR A 55 4.555 -11.480 6.651 1.00 0.00 C ATOM 786 O TYR A 55 5.657 -11.305 7.173 1.00 0.00 O ATOM 787 CB TYR A 55 2.434 -11.050 7.905 1.00 0.00 C ATOM 788 CG TYR A 55 3.089 -11.451 9.208 1.00 0.00 C ATOM 789 CD1 TYR A 55 3.541 -10.491 10.105 1.00 0.00 C ATOM 790 CD2 TYR A 55 3.254 -12.789 9.542 1.00 0.00 C ATOM 791 CE1 TYR A 55 4.141 -10.853 11.295 1.00 0.00 C ATOM 792 CE2 TYR A 55 3.851 -13.160 10.731 1.00 0.00 C ATOM 793 CZ TYR A 55 4.293 -12.189 11.604 1.00 0.00 C ATOM 794 OH TYR A 55 4.888 -12.553 12.790 1.00 0.00 O ATOM 0 H TYR A 55 1.707 -10.174 5.698 1.00 0.00 H new ATOM 0 HA TYR A 55 3.835 -9.558 7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.668 -10.302 8.108 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.928 -11.917 7.480 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.421 -9.444 9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.910 -13.553 8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.489 -10.094 11.980 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.971 -14.205 10.975 1.00 0.00 H new ATOM 0 HH TYR A 55 4.917 -13.530 12.855 1.00 0.00 H new ATOM 804 N LYS A 56 4.283 -12.522 5.871 1.00 0.00 N ATOM 805 CA LYS A 56 5.285 -13.540 5.576 1.00 0.00 C ATOM 806 C LYS A 56 6.362 -12.990 4.647 1.00 0.00 C ATOM 807 O LYS A 56 7.554 -13.211 4.863 1.00 0.00 O ATOM 808 CB LYS A 56 4.624 -14.765 4.941 1.00 0.00 C ATOM 809 CG LYS A 56 4.095 -15.765 5.954 1.00 0.00 C ATOM 810 CD LYS A 56 2.576 -15.792 5.972 1.00 0.00 C ATOM 811 CE LYS A 56 2.039 -16.062 7.369 1.00 0.00 C ATOM 812 NZ LYS A 56 1.616 -17.480 7.535 1.00 0.00 N ATOM 0 H LYS A 56 3.377 -12.683 5.432 1.00 0.00 H new ATOM 0 HA LYS A 56 5.756 -13.834 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.802 -14.435 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.347 -15.263 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.474 -16.759 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.467 -15.510 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.190 -14.839 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.217 -16.561 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.806 -15.823 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.192 -15.405 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.256 -17.624 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.866 -17.701 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.430 -18.106 7.372 1.00 0.00 H new ATOM 826 N ASP A 57 5.935 -12.273 3.613 1.00 0.00 N ATOM 827 CA ASP A 57 6.864 -11.690 2.652 1.00 0.00 C ATOM 828 C ASP A 57 8.036 -11.023 3.364 1.00 0.00 C ATOM 829 O ASP A 57 9.191 -11.393 3.160 1.00 0.00 O ATOM 830 CB ASP A 57 6.143 -10.671 1.767 1.00 0.00 C ATOM 831 CG ASP A 57 6.748 -10.577 0.381 1.00 0.00 C ATOM 832 OD1 ASP A 57 7.072 -11.635 -0.199 1.00 0.00 O ATOM 833 OD2 ASP A 57 6.898 -9.445 -0.125 1.00 0.00 O ATOM 0 H ASP A 57 4.952 -12.082 3.419 1.00 0.00 H new ATOM 0 HA ASP A 57 7.252 -12.494 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.092 -10.946 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.179 -9.691 2.243 1.00 0.00 H new ATOM 838 N GLY A 58 7.730 -10.037 4.202 1.00 0.00 N ATOM 839 CA GLY A 58 8.769 -9.334 4.932 1.00 0.00 C ATOM 840 C GLY A 58 9.328 -8.159 4.155 1.00 0.00 C ATOM 841 O GLY A 58 9.805 -7.188 4.743 1.00 0.00 O ATOM 0 H GLY A 58 6.781 -9.713 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.366 -8.980 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.576 -10.027 5.167 1.00 0.00 H new ATOM 845 N ARG A 59 9.273 -8.247 2.830 1.00 0.00 N ATOM 846 CA ARG A 59 9.781 -7.183 1.971 1.00 0.00 C ATOM 847 C ARG A 59 9.188 -5.834 2.369 1.00 0.00 C ATOM 848 O ARG A 59 9.876 -4.812 2.349 1.00 0.00 O ATOM 849 CB ARG A 59 9.457 -7.483 0.507 1.00 0.00 C ATOM 850 CG ARG A 59 10.345 -8.554 -0.106 1.00 0.00 C ATOM 851 CD ARG A 59 10.471 -8.378 -1.611 1.00 0.00 C ATOM 852 NE ARG A 59 9.846 -9.475 -2.345 1.00 0.00 N ATOM 853 CZ ARG A 59 9.799 -9.540 -3.671 1.00 0.00 C ATOM 854 NH1 ARG A 59 10.338 -8.576 -4.405 1.00 0.00 N ATOM 855 NH2 ARG A 59 9.212 -10.571 -4.266 1.00 0.00 N ATOM 0 H ARG A 59 8.882 -9.044 2.328 1.00 0.00 H new ATOM 0 HA ARG A 59 10.863 -7.135 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.416 -7.799 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.555 -6.566 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.334 -8.513 0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.933 -9.539 0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.009 -7.436 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.525 -8.315 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 59 9.422 -10.233 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.790 -7.782 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.300 -8.629 -5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.796 -11.315 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.177 -10.620 -5.284 1.00 0.00 H new ATOM 869 N LEU A 60 7.910 -5.838 2.728 1.00 0.00 N ATOM 870 CA LEU A 60 7.224 -4.615 3.130 1.00 0.00 C ATOM 871 C LEU A 60 7.373 -4.374 4.629 1.00 0.00 C ATOM 872 O LEU A 60 7.690 -5.290 5.388 1.00 0.00 O ATOM 873 CB LEU A 60 5.742 -4.693 2.760 1.00 0.00 C ATOM 874 CG LEU A 60 5.408 -4.499 1.280 1.00 0.00 C ATOM 875 CD1 LEU A 60 6.048 -3.225 0.752 1.00 0.00 C ATOM 876 CD2 LEU A 60 5.865 -5.703 0.469 1.00 0.00 C ATOM 0 H LEU A 60 7.327 -6.675 2.749 1.00 0.00 H new ATOM 0 HA LEU A 60 7.682 -3.780 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.361 -5.665 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.204 -3.939 3.335 1.00 0.00 H new ATOM 0 HG LEU A 60 4.327 -4.407 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.800 -3.103 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.673 -2.370 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.130 -3.288 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.620 -5.548 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.943 -5.826 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.360 -6.599 0.831 1.00 0.00 H new ATOM 888 N LYS A 61 7.141 -3.135 5.049 1.00 0.00 N ATOM 889 CA LYS A 61 7.247 -2.773 6.458 1.00 0.00 C ATOM 890 C LYS A 61 6.345 -1.586 6.783 1.00 0.00 C ATOM 891 O LYS A 61 5.905 -0.849 5.900 1.00 0.00 O ATOM 892 CB LYS A 61 8.697 -2.437 6.813 1.00 0.00 C ATOM 893 CG LYS A 61 9.378 -3.500 7.658 1.00 0.00 C ATOM 894 CD LYS A 61 9.905 -4.640 6.802 1.00 0.00 C ATOM 895 CE LYS A 61 11.409 -4.803 6.956 1.00 0.00 C ATOM 896 NZ LYS A 61 11.759 -5.625 8.148 1.00 0.00 N ATOM 0 H LYS A 61 6.878 -2.365 4.434 1.00 0.00 H new ATOM 0 HA LYS A 61 6.923 -3.628 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.265 -2.297 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.721 -1.488 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.201 -3.052 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.672 -3.890 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.407 -5.568 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.663 -4.453 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.817 -5.271 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.874 -3.821 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.793 -5.713 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.392 -5.166 9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.337 -6.571 8.053 1.00 0.00 H new ATOM 910 N PRO A 62 6.063 -1.394 8.080 1.00 0.00 N ATOM 911 CA PRO A 62 5.213 -0.296 8.551 1.00 0.00 C ATOM 912 C PRO A 62 5.884 1.065 8.394 1.00 0.00 C ATOM 913 O PRO A 62 7.058 1.231 8.723 1.00 0.00 O ATOM 914 CB PRO A 62 5.003 -0.621 10.032 1.00 0.00 C ATOM 915 CG PRO A 62 6.187 -1.441 10.412 1.00 0.00 C ATOM 916 CD PRO A 62 6.553 -2.233 9.187 1.00 0.00 C ATOM 0 HA PRO A 62 4.287 -0.224 7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.942 0.287 10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.075 -1.170 10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.015 -0.807 10.729 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.953 -2.101 11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.629 -2.397 9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.080 -3.215 9.187 1.00 0.00 H new ATOM 924 N GLY A 63 5.129 2.037 7.890 1.00 0.00 N ATOM 925 CA GLY A 63 5.668 3.371 7.699 1.00 0.00 C ATOM 926 C GLY A 63 5.885 3.704 6.236 1.00 0.00 C ATOM 927 O GLY A 63 5.987 4.874 5.868 1.00 0.00 O ATOM 0 H GLY A 63 4.154 1.924 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.988 4.101 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.615 3.457 8.232 1.00 0.00 H new ATOM 931 N ASP A 64 5.957 2.674 5.400 1.00 0.00 N ATOM 932 CA ASP A 64 6.163 2.863 3.969 1.00 0.00 C ATOM 933 C ASP A 64 4.937 3.501 3.323 1.00 0.00 C ATOM 934 O ASP A 64 3.802 3.173 3.667 1.00 0.00 O ATOM 935 CB ASP A 64 6.473 1.526 3.295 1.00 0.00 C ATOM 936 CG ASP A 64 7.925 1.411 2.875 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.340 2.160 1.966 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.646 0.572 3.455 1.00 0.00 O ATOM 0 H ASP A 64 5.876 1.699 5.689 1.00 0.00 H new ATOM 0 HA ASP A 64 7.012 3.533 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.230 0.713 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.834 1.407 2.420 1.00 0.00 H new ATOM 943 N GLN A 65 5.176 4.414 2.386 1.00 0.00 N ATOM 944 CA GLN A 65 4.091 5.098 1.694 1.00 0.00 C ATOM 945 C GLN A 65 3.553 4.246 0.549 1.00 0.00 C ATOM 946 O GLN A 65 4.273 3.940 -0.402 1.00 0.00 O ATOM 947 CB GLN A 65 4.570 6.449 1.159 1.00 0.00 C ATOM 948 CG GLN A 65 3.489 7.517 1.146 1.00 0.00 C ATOM 949 CD GLN A 65 3.614 8.460 -0.034 1.00 0.00 C ATOM 950 OE1 GLN A 65 2.764 8.270 -1.037 1.00 0.00 O flip ATOM 951 NE2 GLN A 65 4.465 9.349 -0.046 1.00 0.00 N flip ATOM 0 H GLN A 65 6.110 4.696 2.090 1.00 0.00 H new ATOM 0 HA GLN A 65 3.285 5.264 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.405 6.796 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.949 6.315 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.510 7.038 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.539 8.091 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.098 9.460 0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.537 9.975 -0.848 1.00 0.00 H new ATOM 960 N LEU A 66 2.283 3.867 0.646 1.00 0.00 N ATOM 961 CA LEU A 66 1.648 3.050 -0.382 1.00 0.00 C ATOM 962 C LEU A 66 1.285 3.892 -1.600 1.00 0.00 C ATOM 963 O LEU A 66 1.208 5.118 -1.520 1.00 0.00 O ATOM 964 CB LEU A 66 0.394 2.375 0.178 1.00 0.00 C ATOM 965 CG LEU A 66 0.625 1.106 1.000 1.00 0.00 C ATOM 966 CD1 LEU A 66 -0.625 0.745 1.786 1.00 0.00 C ATOM 967 CD2 LEU A 66 1.041 -0.046 0.097 1.00 0.00 C ATOM 0 H LEU A 66 1.673 4.112 1.426 1.00 0.00 H new ATOM 0 HA LEU A 66 2.358 2.284 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.135 3.096 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.265 2.129 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 66 1.432 1.296 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.442 -0.160 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.879 1.562 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.452 0.574 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.201 -0.941 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.256 -0.237 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.965 0.213 -0.421 1.00 0.00 H new ATOM 979 N VAL A 67 1.060 3.226 -2.728 1.00 0.00 N ATOM 980 CA VAL A 67 0.701 3.913 -3.963 1.00 0.00 C ATOM 981 C VAL A 67 -0.576 3.335 -4.562 1.00 0.00 C ATOM 982 O VAL A 67 -1.397 4.063 -5.121 1.00 0.00 O ATOM 983 CB VAL A 67 1.831 3.821 -5.005 1.00 0.00 C ATOM 984 CG1 VAL A 67 1.368 4.371 -6.346 1.00 0.00 C ATOM 985 CG2 VAL A 67 3.068 4.559 -4.516 1.00 0.00 C ATOM 0 H VAL A 67 1.120 2.211 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 67 0.537 4.960 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 67 2.092 2.771 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.180 4.298 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.513 3.795 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.078 5.415 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.856 4.484 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.824 5.608 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.411 4.115 -3.582 1.00 0.00 H new ATOM 995 N SER A 68 -0.738 2.021 -4.442 1.00 0.00 N ATOM 996 CA SER A 68 -1.914 1.344 -4.975 1.00 0.00 C ATOM 997 C SER A 68 -1.907 -0.135 -4.599 1.00 0.00 C ATOM 998 O SER A 68 -0.849 -0.759 -4.514 1.00 0.00 O ATOM 999 CB SER A 68 -1.970 1.495 -6.497 1.00 0.00 C ATOM 1000 OG SER A 68 -0.680 1.367 -7.070 1.00 0.00 O ATOM 0 H SER A 68 -0.069 1.404 -3.980 1.00 0.00 H new ATOM 0 HA SER A 68 -2.799 1.808 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.634 0.739 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.391 2.467 -6.754 1.00 0.00 H new ATOM 0 HG SER A 68 -0.743 1.466 -8.043 1.00 0.00 H new ATOM 1006 N ILE A 69 -3.094 -0.688 -4.376 1.00 0.00 N ATOM 1007 CA ILE A 69 -3.225 -2.093 -4.010 1.00 0.00 C ATOM 1008 C ILE A 69 -4.075 -2.848 -5.026 1.00 0.00 C ATOM 1009 O ILE A 69 -5.213 -2.471 -5.300 1.00 0.00 O ATOM 1010 CB ILE A 69 -3.850 -2.255 -2.612 1.00 0.00 C ATOM 1011 CG1 ILE A 69 -2.875 -1.776 -1.535 1.00 0.00 C ATOM 1012 CG2 ILE A 69 -4.243 -3.705 -2.372 1.00 0.00 C ATOM 1013 CD1 ILE A 69 -2.099 -2.897 -0.880 1.00 0.00 C ATOM 0 H ILE A 69 -3.979 -0.185 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.219 -2.512 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.750 -1.642 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.173 -1.071 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.430 -1.234 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.683 -3.803 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.969 -4.014 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.358 -4.338 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.428 -2.483 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.793 -3.591 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.516 -3.426 -1.635 1.00 0.00 H new ATOM 1025 N ASN A 70 -3.515 -3.919 -5.579 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.222 -4.729 -6.564 1.00 0.00 C ATOM 1027 C ASN A 70 -4.368 -3.977 -7.883 1.00 0.00 C ATOM 1028 O ASN A 70 -3.721 -4.310 -8.876 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.602 -5.124 -6.034 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.954 -6.563 -6.356 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.041 -6.850 -6.859 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.034 -7.477 -6.068 1.00 0.00 N ATOM 0 H ASN A 70 -2.574 -4.246 -5.362 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.637 -5.631 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.629 -4.979 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.356 -4.464 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.215 -8.462 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.147 -7.194 -5.652 1.00 0.00 H new ATOM 1039 N LYS A 71 -5.223 -2.960 -7.886 1.00 0.00 N ATOM 1040 CA LYS A 71 -5.455 -2.158 -9.082 1.00 0.00 C ATOM 1041 C LYS A 71 -6.288 -0.922 -8.755 1.00 0.00 C ATOM 1042 O LYS A 71 -7.144 -0.515 -9.540 1.00 0.00 O ATOM 1043 CB LYS A 71 -6.160 -2.993 -10.153 1.00 0.00 C ATOM 1044 CG LYS A 71 -7.575 -3.397 -9.775 1.00 0.00 C ATOM 1045 CD LYS A 71 -7.625 -4.819 -9.240 1.00 0.00 C ATOM 1046 CE LYS A 71 -9.055 -5.329 -9.147 1.00 0.00 C ATOM 1047 NZ LYS A 71 -9.420 -6.173 -10.318 1.00 0.00 N ATOM 0 H LYS A 71 -5.767 -2.671 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.487 -1.832 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.189 -2.426 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.574 -3.891 -10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.962 -2.710 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.224 -3.312 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.045 -5.474 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.160 -4.855 -8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.175 -5.907 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.739 -4.483 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.402 -6.501 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.330 -5.614 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.784 -6.994 -10.366 1.00 0.00 H new ATOM 1061 N GLU A 72 -6.030 -0.331 -7.593 1.00 0.00 N ATOM 1062 CA GLU A 72 -6.757 0.859 -7.165 1.00 0.00 C ATOM 1063 C GLU A 72 -5.793 1.991 -6.822 1.00 0.00 C ATOM 1064 O GLU A 72 -4.578 1.848 -6.955 1.00 0.00 O ATOM 1065 CB GLU A 72 -7.636 0.538 -5.954 1.00 0.00 C ATOM 1066 CG GLU A 72 -8.930 -0.174 -6.312 1.00 0.00 C ATOM 1067 CD GLU A 72 -10.055 0.790 -6.637 1.00 0.00 C ATOM 1068 OE1 GLU A 72 -9.760 1.916 -7.089 1.00 0.00 O ATOM 1069 OE2 GLU A 72 -11.230 0.417 -6.440 1.00 0.00 O ATOM 0 H GLU A 72 -5.324 -0.656 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.392 1.183 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.070 -0.083 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.874 1.465 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.757 -0.826 -7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.231 -0.812 -5.481 1.00 0.00 H new ATOM 1076 N SER A 73 -6.345 3.117 -6.380 1.00 0.00 N ATOM 1077 CA SER A 73 -5.536 4.276 -6.022 1.00 0.00 C ATOM 1078 C SER A 73 -5.396 4.394 -4.507 1.00 0.00 C ATOM 1079 O SER A 73 -6.298 4.020 -3.759 1.00 0.00 O ATOM 1080 CB SER A 73 -6.159 5.554 -6.589 1.00 0.00 C ATOM 1081 OG SER A 73 -5.165 6.411 -7.124 1.00 0.00 O ATOM 0 H SER A 73 -7.349 3.251 -6.261 1.00 0.00 H new ATOM 0 HA SER A 73 -4.543 4.142 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.879 5.298 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.708 6.074 -5.804 1.00 0.00 H new ATOM 0 HG SER A 73 -5.588 7.219 -7.481 1.00 0.00 H new ATOM 1087 N MET A 74 -4.257 4.916 -4.064 1.00 0.00 N ATOM 1088 CA MET A 74 -3.998 5.084 -2.639 1.00 0.00 C ATOM 1089 C MET A 74 -3.557 6.511 -2.331 1.00 0.00 C ATOM 1090 O MET A 74 -3.845 7.042 -1.258 1.00 0.00 O ATOM 1091 CB MET A 74 -2.927 4.095 -2.173 1.00 0.00 C ATOM 1092 CG MET A 74 -3.493 2.769 -1.692 1.00 0.00 C ATOM 1093 SD MET A 74 -3.688 2.705 0.099 1.00 0.00 S ATOM 1094 CE MET A 74 -4.415 1.081 0.303 1.00 0.00 C ATOM 0 H MET A 74 -3.499 5.230 -4.671 1.00 0.00 H new ATOM 0 HA MET A 74 -4.925 4.885 -2.101 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.234 3.909 -2.994 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.351 4.549 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.460 2.598 -2.165 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.835 1.961 -2.011 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.004 1.058 1.220 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.060 0.862 -0.548 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.624 0.333 0.361 1.00 0.00 H new ATOM 1104 N ILE A 75 -2.857 7.127 -3.279 1.00 0.00 N ATOM 1105 CA ILE A 75 -2.377 8.493 -3.108 1.00 0.00 C ATOM 1106 C ILE A 75 -3.534 9.486 -3.119 1.00 0.00 C ATOM 1107 O ILE A 75 -4.471 9.356 -3.905 1.00 0.00 O ATOM 1108 CB ILE A 75 -1.373 8.878 -4.210 1.00 0.00 C ATOM 1109 CG1 ILE A 75 -0.214 7.880 -4.246 1.00 0.00 C ATOM 1110 CG2 ILE A 75 -0.856 10.291 -3.985 1.00 0.00 C ATOM 1111 CD1 ILE A 75 0.568 7.816 -2.953 1.00 0.00 C ATOM 0 H ILE A 75 -2.610 6.702 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.875 8.534 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.883 8.848 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.606 6.889 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.462 8.150 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.147 10.549 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.691 10.991 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.359 10.347 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.374 7.088 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.989 8.797 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.095 7.516 -2.141 1.00 0.00 H new ATOM 1123 N GLY A 76 -3.459 10.483 -2.242 1.00 0.00 N ATOM 1124 CA GLY A 76 -4.505 11.486 -2.168 1.00 0.00 C ATOM 1125 C GLY A 76 -5.890 10.875 -2.097 1.00 0.00 C ATOM 1126 O GLY A 76 -6.783 11.253 -2.857 1.00 0.00 O ATOM 0 H GLY A 76 -2.693 10.614 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.342 12.112 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.443 12.137 -3.040 1.00 0.00 H new ATOM 1130 N VAL A 77 -6.072 9.927 -1.184 1.00 0.00 N ATOM 1131 CA VAL A 77 -7.358 9.262 -1.017 1.00 0.00 C ATOM 1132 C VAL A 77 -7.831 9.335 0.431 1.00 0.00 C ATOM 1133 O VAL A 77 -7.049 9.624 1.336 1.00 0.00 O ATOM 1134 CB VAL A 77 -7.287 7.786 -1.448 1.00 0.00 C ATOM 1135 CG1 VAL A 77 -6.782 6.919 -0.305 1.00 0.00 C ATOM 1136 CG2 VAL A 77 -8.647 7.306 -1.932 1.00 0.00 C ATOM 0 H VAL A 77 -5.344 9.602 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.070 9.785 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.582 7.701 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.739 5.879 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.786 7.249 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.459 7.007 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.578 6.261 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.375 7.405 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.963 7.908 -2.784 1.00 0.00 H new ATOM 1146 N SER A 78 -9.117 9.071 0.642 1.00 0.00 N ATOM 1147 CA SER A 78 -9.695 9.110 1.980 1.00 0.00 C ATOM 1148 C SER A 78 -9.289 7.878 2.783 1.00 0.00 C ATOM 1149 O SER A 78 -9.307 6.757 2.274 1.00 0.00 O ATOM 1150 CB SER A 78 -11.221 9.198 1.896 1.00 0.00 C ATOM 1151 OG SER A 78 -11.826 8.702 3.078 1.00 0.00 O ATOM 0 H SER A 78 -9.778 8.828 -0.096 1.00 0.00 H new ATOM 0 HA SER A 78 -9.314 9.996 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.521 10.234 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.575 8.629 1.036 1.00 0.00 H new ATOM 0 HG SER A 78 -12.801 8.770 3.000 1.00 0.00 H new ATOM 1157 N PHE A 79 -8.923 8.095 4.042 1.00 0.00 N ATOM 1158 CA PHE A 79 -8.511 7.004 4.917 1.00 0.00 C ATOM 1159 C PHE A 79 -9.395 5.777 4.711 1.00 0.00 C ATOM 1160 O PHE A 79 -8.899 4.665 4.537 1.00 0.00 O ATOM 1161 CB PHE A 79 -8.567 7.447 6.381 1.00 0.00 C ATOM 1162 CG PHE A 79 -8.327 6.329 7.355 1.00 0.00 C ATOM 1163 CD1 PHE A 79 -7.099 5.689 7.407 1.00 0.00 C ATOM 1164 CD2 PHE A 79 -9.329 5.918 8.219 1.00 0.00 C ATOM 1165 CE1 PHE A 79 -6.876 4.660 8.302 1.00 0.00 C ATOM 1166 CE2 PHE A 79 -9.112 4.890 9.117 1.00 0.00 C ATOM 1167 CZ PHE A 79 -7.883 4.261 9.158 1.00 0.00 C ATOM 0 H PHE A 79 -8.903 9.016 4.479 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.485 6.737 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.823 8.227 6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.543 7.890 6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.307 5.998 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.292 6.407 8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.915 4.168 8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.902 4.579 9.785 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.710 3.458 9.859 1.00 0.00 H new ATOM 1177 N GLU A 80 -10.707 5.991 4.732 1.00 0.00 N ATOM 1178 CA GLU A 80 -11.660 4.903 4.549 1.00 0.00 C ATOM 1179 C GLU A 80 -11.383 4.149 3.251 1.00 0.00 C ATOM 1180 O GLU A 80 -11.412 2.920 3.217 1.00 0.00 O ATOM 1181 CB GLU A 80 -13.091 5.444 4.541 1.00 0.00 C ATOM 1182 CG GLU A 80 -13.559 5.944 5.898 1.00 0.00 C ATOM 1183 CD GLU A 80 -15.050 6.219 5.935 1.00 0.00 C ATOM 1184 OE1 GLU A 80 -15.615 6.571 4.878 1.00 0.00 O ATOM 1185 OE2 GLU A 80 -15.652 6.082 7.020 1.00 0.00 O ATOM 0 H GLU A 80 -11.133 6.907 4.874 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.545 4.211 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.159 6.258 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.766 4.659 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.311 5.204 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.019 6.856 6.151 1.00 0.00 H new ATOM 1192 N GLU A 81 -11.116 4.898 2.185 1.00 0.00 N ATOM 1193 CA GLU A 81 -10.835 4.301 0.884 1.00 0.00 C ATOM 1194 C GLU A 81 -9.624 3.375 0.960 1.00 0.00 C ATOM 1195 O GLU A 81 -9.740 2.166 0.760 1.00 0.00 O ATOM 1196 CB GLU A 81 -10.592 5.392 -0.161 1.00 0.00 C ATOM 1197 CG GLU A 81 -11.434 5.231 -1.415 1.00 0.00 C ATOM 1198 CD GLU A 81 -12.862 5.703 -1.224 1.00 0.00 C ATOM 1199 OE1 GLU A 81 -13.707 4.882 -0.812 1.00 0.00 O ATOM 1200 OE2 GLU A 81 -13.134 6.893 -1.486 1.00 0.00 O ATOM 0 H GLU A 81 -11.088 5.918 2.197 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.703 3.712 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.802 6.364 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.538 5.390 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.976 5.792 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.439 4.182 -1.713 1.00 0.00 H new ATOM 1207 N ALA A 82 -8.463 3.952 1.251 1.00 0.00 N ATOM 1208 CA ALA A 82 -7.231 3.180 1.356 1.00 0.00 C ATOM 1209 C ALA A 82 -7.454 1.894 2.145 1.00 0.00 C ATOM 1210 O ALA A 82 -7.164 0.799 1.663 1.00 0.00 O ATOM 1211 CB ALA A 82 -6.137 4.016 2.003 1.00 0.00 C ATOM 0 H ALA A 82 -8.350 4.952 1.418 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.916 2.907 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.223 3.426 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.950 4.903 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.453 4.319 3.001 1.00 0.00 H new ATOM 1217 N LYS A 83 -7.971 2.034 3.361 1.00 0.00 N ATOM 1218 CA LYS A 83 -8.234 0.884 4.218 1.00 0.00 C ATOM 1219 C LYS A 83 -9.279 -0.034 3.592 1.00 0.00 C ATOM 1220 O LYS A 83 -9.372 -1.211 3.938 1.00 0.00 O ATOM 1221 CB LYS A 83 -8.708 1.348 5.597 1.00 0.00 C ATOM 1222 CG LYS A 83 -8.759 0.234 6.629 1.00 0.00 C ATOM 1223 CD LYS A 83 -8.501 0.760 8.031 1.00 0.00 C ATOM 1224 CE LYS A 83 -9.156 -0.118 9.085 1.00 0.00 C ATOM 1225 NZ LYS A 83 -8.455 -0.029 10.396 1.00 0.00 N ATOM 0 H LYS A 83 -8.216 2.933 3.775 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.305 0.325 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.043 2.134 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.700 1.789 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.735 -0.250 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.017 -0.526 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.427 0.807 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.883 1.777 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.197 0.179 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.159 -1.153 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.932 -0.642 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.468 -0.337 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.474 0.954 10.734 1.00 0.00 H new ATOM 1239 N SER A 84 -10.062 0.513 2.667 1.00 0.00 N ATOM 1240 CA SER A 84 -11.102 -0.256 1.994 1.00 0.00 C ATOM 1241 C SER A 84 -10.511 -1.099 0.868 1.00 0.00 C ATOM 1242 O SER A 84 -10.657 -2.322 0.851 1.00 0.00 O ATOM 1243 CB SER A 84 -12.177 0.678 1.437 1.00 0.00 C ATOM 1244 OG SER A 84 -13.267 -0.057 0.906 1.00 0.00 O ATOM 0 H SER A 84 -9.996 1.486 2.367 1.00 0.00 H new ATOM 0 HA SER A 84 -11.556 -0.925 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.532 1.341 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.747 1.309 0.660 1.00 0.00 H new ATOM 0 HG SER A 84 -13.941 0.563 0.558 1.00 0.00 H new ATOM 1250 N ILE A 85 -9.845 -0.436 -0.071 1.00 0.00 N ATOM 1251 CA ILE A 85 -9.231 -1.124 -1.201 1.00 0.00 C ATOM 1252 C ILE A 85 -8.685 -2.485 -0.785 1.00 0.00 C ATOM 1253 O ILE A 85 -8.646 -3.420 -1.585 1.00 0.00 O ATOM 1254 CB ILE A 85 -8.090 -0.291 -1.814 1.00 0.00 C ATOM 1255 CG1 ILE A 85 -8.659 0.870 -2.632 1.00 0.00 C ATOM 1256 CG2 ILE A 85 -7.200 -1.169 -2.680 1.00 0.00 C ATOM 1257 CD1 ILE A 85 -8.098 2.219 -2.238 1.00 0.00 C ATOM 0 H ILE A 85 -9.717 0.576 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.012 -1.262 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.486 0.121 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.454 0.695 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.743 0.888 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.398 -0.566 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.771 -1.965 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.792 -1.606 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.546 2.995 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.326 2.416 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.017 2.219 -2.380 1.00 0.00 H new ATOM 1269 N ILE A 86 -8.266 -2.590 0.472 1.00 0.00 N ATOM 1270 CA ILE A 86 -7.725 -3.838 0.995 1.00 0.00 C ATOM 1271 C ILE A 86 -8.838 -4.834 1.302 1.00 0.00 C ATOM 1272 O ILE A 86 -8.972 -5.859 0.633 1.00 0.00 O ATOM 1273 CB ILE A 86 -6.896 -3.601 2.272 1.00 0.00 C ATOM 1274 CG1 ILE A 86 -5.624 -2.818 1.942 1.00 0.00 C ATOM 1275 CG2 ILE A 86 -6.552 -4.928 2.933 1.00 0.00 C ATOM 1276 CD1 ILE A 86 -4.917 -2.272 3.163 1.00 0.00 C ATOM 0 H ILE A 86 -8.291 -1.826 1.147 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.076 -4.249 0.222 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.491 -3.013 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.939 -3.466 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.878 -1.991 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.966 -4.745 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.471 -5.452 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.972 -5.539 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.024 -1.729 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.585 -1.598 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.632 -3.096 3.817 1.00 0.00 H new ATOM 1288 N THR A 87 -9.637 -4.525 2.318 1.00 0.00 N ATOM 1289 CA THR A 87 -10.740 -5.391 2.714 1.00 0.00 C ATOM 1290 C THR A 87 -11.611 -5.754 1.517 1.00 0.00 C ATOM 1291 O THR A 87 -12.039 -6.900 1.373 1.00 0.00 O ATOM 1292 CB THR A 87 -11.618 -4.727 3.791 1.00 0.00 C ATOM 1293 OG1 THR A 87 -12.540 -5.681 4.329 1.00 0.00 O ATOM 1294 CG2 THR A 87 -12.383 -3.546 3.212 1.00 0.00 C ATOM 0 H THR A 87 -9.541 -3.681 2.882 1.00 0.00 H new ATOM 0 HA THR A 87 -10.297 -6.298 3.126 1.00 0.00 H new ATOM 0 HB THR A 87 -10.967 -4.364 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.093 -5.251 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.996 -3.093 3.991 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.678 -2.808 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 87 -13.024 -3.890 2.400 1.00 0.00 H new ATOM 1302 N ARG A 88 -11.870 -4.772 0.660 1.00 0.00 N ATOM 1303 CA ARG A 88 -12.691 -4.989 -0.525 1.00 0.00 C ATOM 1304 C ARG A 88 -11.999 -5.937 -1.500 1.00 0.00 C ATOM 1305 O ARG A 88 -12.655 -6.646 -2.263 1.00 0.00 O ATOM 1306 CB ARG A 88 -12.988 -3.657 -1.216 1.00 0.00 C ATOM 1307 CG ARG A 88 -11.742 -2.920 -1.679 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.841 -2.524 -3.144 1.00 0.00 C ATOM 1309 NE ARG A 88 -11.816 -1.075 -3.323 1.00 0.00 N ATOM 1310 CZ ARG A 88 -12.834 -0.280 -3.015 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.951 -0.790 -2.515 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -12.736 1.030 -3.206 1.00 0.00 N ATOM 0 H ARG A 88 -11.523 -3.818 0.764 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.630 -5.444 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.633 -3.839 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.544 -3.018 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.598 -2.028 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.867 -3.553 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.015 -2.972 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.762 -2.925 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.971 -0.651 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.030 -1.796 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.731 -0.176 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.878 1.427 -3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.519 1.640 -2.969 1.00 0.00 H new ATOM 1326 N ALA A 89 -10.670 -5.944 -1.469 1.00 0.00 N ATOM 1327 CA ALA A 89 -9.890 -6.805 -2.348 1.00 0.00 C ATOM 1328 C ALA A 89 -10.587 -8.144 -2.566 1.00 0.00 C ATOM 1329 O ALA A 89 -11.036 -8.784 -1.615 1.00 0.00 O ATOM 1330 CB ALA A 89 -8.497 -7.020 -1.775 1.00 0.00 C ATOM 0 H ALA A 89 -10.112 -5.363 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.801 -6.310 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.925 -7.665 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.991 -6.059 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.575 -7.490 -0.795 1.00 0.00 H new ATOM 1336 N LYS A 90 -10.676 -8.561 -3.824 1.00 0.00 N ATOM 1337 CA LYS A 90 -11.318 -9.824 -4.168 1.00 0.00 C ATOM 1338 C LYS A 90 -10.795 -10.957 -3.291 1.00 0.00 C ATOM 1339 O LYS A 90 -11.549 -11.847 -2.893 1.00 0.00 O ATOM 1340 CB LYS A 90 -11.080 -10.156 -5.643 1.00 0.00 C ATOM 1341 CG LYS A 90 -12.032 -9.443 -6.588 1.00 0.00 C ATOM 1342 CD LYS A 90 -11.786 -9.842 -8.033 1.00 0.00 C ATOM 1343 CE LYS A 90 -12.362 -8.819 -9.000 1.00 0.00 C ATOM 1344 NZ LYS A 90 -13.378 -9.423 -9.906 1.00 0.00 N ATOM 0 H LYS A 90 -10.311 -8.042 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.389 -9.717 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.055 -9.892 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.178 -11.232 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.061 -9.678 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.912 -8.365 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.715 -9.945 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.234 -10.817 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.816 -8.003 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.557 -8.387 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.747 -8.694 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.939 -10.185 -10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.159 -9.813 -9.341 1.00 0.00 H new ATOM 1358 N LEU A 91 -9.502 -10.918 -2.991 1.00 0.00 N ATOM 1359 CA LEU A 91 -8.878 -11.941 -2.158 1.00 0.00 C ATOM 1360 C LEU A 91 -9.350 -13.334 -2.562 1.00 0.00 C ATOM 1361 O LEU A 91 -10.029 -13.501 -3.576 1.00 0.00 O ATOM 1362 CB LEU A 91 -9.196 -11.690 -0.683 1.00 0.00 C ATOM 1363 CG LEU A 91 -10.529 -12.246 -0.180 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -10.297 -13.311 0.880 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -11.401 -11.126 0.369 1.00 0.00 C ATOM 0 H LEU A 91 -8.865 -10.189 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.799 -11.886 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.395 -12.120 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.184 -10.614 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.049 -12.706 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.257 -13.695 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.712 -14.126 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.756 -12.876 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.345 -11.540 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.887 -10.637 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.596 -10.398 -0.418 1.00 0.00 H new ATOM 1377 N ARG A 92 -8.989 -14.331 -1.761 1.00 0.00 N ATOM 1378 CA ARG A 92 -9.377 -15.710 -2.035 1.00 0.00 C ATOM 1379 C ARG A 92 -9.357 -15.993 -3.534 1.00 0.00 C ATOM 1380 O ARG A 92 -10.349 -16.450 -4.103 1.00 0.00 O ATOM 1381 CB ARG A 92 -10.770 -15.992 -1.470 1.00 0.00 C ATOM 1382 CG ARG A 92 -10.916 -17.383 -0.875 1.00 0.00 C ATOM 1383 CD ARG A 92 -11.051 -17.330 0.639 1.00 0.00 C ATOM 1384 NE ARG A 92 -12.447 -17.283 1.063 1.00 0.00 N ATOM 1385 CZ ARG A 92 -12.834 -16.906 2.277 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -11.934 -16.546 3.181 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -14.124 -16.890 2.588 1.00 0.00 N ATOM 0 H ARG A 92 -8.429 -14.210 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.656 -16.367 -1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.998 -15.252 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.507 -15.866 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.791 -17.873 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.050 -17.987 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.569 -18.204 1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.527 -16.453 1.019 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.165 -17.554 0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.942 -16.558 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.234 -16.257 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.819 -17.167 1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.420 -16.601 3.520 1.00 0.00 H new ATOM 1401 N SER A 93 -8.222 -15.718 -4.168 1.00 0.00 N ATOM 1402 CA SER A 93 -8.074 -15.938 -5.602 1.00 0.00 C ATOM 1403 C SER A 93 -6.749 -16.626 -5.912 1.00 0.00 C ATOM 1404 O SER A 93 -6.155 -17.271 -5.048 1.00 0.00 O ATOM 1405 CB SER A 93 -8.161 -14.610 -6.355 1.00 0.00 C ATOM 1406 OG SER A 93 -9.115 -14.678 -7.401 1.00 0.00 O ATOM 0 H SER A 93 -7.391 -15.342 -3.711 1.00 0.00 H new ATOM 0 HA SER A 93 -8.886 -16.587 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.432 -13.813 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.184 -14.357 -6.766 1.00 0.00 H new ATOM 0 HG SER A 93 -9.153 -13.816 -7.866 1.00 0.00 H new ATOM 1412 N GLU A 94 -6.291 -16.483 -7.152 1.00 0.00 N ATOM 1413 CA GLU A 94 -5.035 -17.092 -7.577 1.00 0.00 C ATOM 1414 C GLU A 94 -3.957 -16.031 -7.777 1.00 0.00 C ATOM 1415 O GLU A 94 -2.821 -16.193 -7.332 1.00 0.00 O ATOM 1416 CB GLU A 94 -5.238 -17.880 -8.872 1.00 0.00 C ATOM 1417 CG GLU A 94 -5.692 -19.312 -8.649 1.00 0.00 C ATOM 1418 CD GLU A 94 -6.928 -19.665 -9.453 1.00 0.00 C ATOM 1419 OE1 GLU A 94 -8.026 -19.195 -9.088 1.00 0.00 O ATOM 1420 OE2 GLU A 94 -6.798 -20.410 -10.447 1.00 0.00 O ATOM 0 H GLU A 94 -6.770 -15.952 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.707 -17.775 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.976 -17.366 -9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.303 -17.887 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.883 -19.991 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.897 -19.463 -7.589 1.00 0.00 H new ATOM 1427 N SER A 95 -4.322 -14.944 -8.450 1.00 0.00 N ATOM 1428 CA SER A 95 -3.386 -13.858 -8.714 1.00 0.00 C ATOM 1429 C SER A 95 -2.832 -13.289 -7.411 1.00 0.00 C ATOM 1430 O SER A 95 -3.550 -13.113 -6.426 1.00 0.00 O ATOM 1431 CB SER A 95 -4.070 -12.750 -9.517 1.00 0.00 C ATOM 1432 OG SER A 95 -4.962 -13.292 -10.476 1.00 0.00 O ATOM 0 H SER A 95 -5.259 -14.792 -8.822 1.00 0.00 H new ATOM 0 HA SER A 95 -2.557 -14.260 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.614 -12.090 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.317 -12.142 -10.019 1.00 0.00 H new ATOM 0 HG SER A 95 -5.388 -12.564 -10.975 1.00 0.00 H new ATOM 1438 N PRO A 96 -1.524 -12.994 -7.403 1.00 0.00 N ATOM 1439 CA PRO A 96 -0.844 -12.440 -6.228 1.00 0.00 C ATOM 1440 C PRO A 96 -1.270 -11.005 -5.935 1.00 0.00 C ATOM 1441 O PRO A 96 -1.993 -10.390 -6.718 1.00 0.00 O ATOM 1442 CB PRO A 96 0.635 -12.490 -6.618 1.00 0.00 C ATOM 1443 CG PRO A 96 0.636 -12.451 -8.108 1.00 0.00 C ATOM 1444 CD PRO A 96 -0.608 -13.177 -8.541 1.00 0.00 C ATOM 0 HA PRO A 96 -1.079 -12.997 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.183 -11.646 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.112 -13.396 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.635 -11.423 -8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.528 -12.931 -8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.019 -12.757 -9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.411 -14.232 -8.733 1.00 0.00 H new ATOM 1452 N TRP A 97 -0.816 -10.478 -4.804 1.00 0.00 N ATOM 1453 CA TRP A 97 -1.150 -9.115 -4.408 1.00 0.00 C ATOM 1454 C TRP A 97 -0.172 -8.116 -5.017 1.00 0.00 C ATOM 1455 O TRP A 97 1.041 -8.243 -4.852 1.00 0.00 O ATOM 1456 CB TRP A 97 -1.144 -8.988 -2.884 1.00 0.00 C ATOM 1457 CG TRP A 97 -2.309 -9.665 -2.227 1.00 0.00 C ATOM 1458 CD1 TRP A 97 -2.259 -10.668 -1.301 1.00 0.00 C ATOM 1459 CD2 TRP A 97 -3.696 -9.389 -2.447 1.00 0.00 C ATOM 1460 NE1 TRP A 97 -3.532 -11.032 -0.933 1.00 0.00 N ATOM 1461 CE2 TRP A 97 -4.431 -10.262 -1.621 1.00 0.00 C ATOM 1462 CE3 TRP A 97 -4.389 -8.488 -3.260 1.00 0.00 C ATOM 1463 CZ2 TRP A 97 -5.823 -10.259 -1.588 1.00 0.00 C ATOM 1464 CZ3 TRP A 97 -5.771 -8.486 -3.226 1.00 0.00 C ATOM 1465 CH2 TRP A 97 -6.476 -9.366 -2.394 1.00 0.00 C ATOM 0 H TRP A 97 -0.216 -10.974 -4.145 1.00 0.00 H new ATOM 0 HA TRP A 97 -2.150 -8.890 -4.780 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.219 -9.413 -2.495 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -1.147 -7.932 -2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.352 -11.110 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.769 -11.758 -0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.854 -7.805 -3.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.368 -10.938 -0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.316 -7.795 -3.851 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -7.556 -9.339 -2.389 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.708 -7.123 -5.720 1.00 0.00 N ATOM 1477 CA GLU A 98 0.120 -6.104 -6.354 1.00 0.00 C ATOM 1478 C GLU A 98 0.404 -4.957 -5.389 1.00 0.00 C ATOM 1479 O GLU A 98 -0.434 -4.076 -5.192 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.566 -5.568 -7.612 1.00 0.00 C ATOM 1481 CG GLU A 98 0.403 -5.192 -8.721 1.00 0.00 C ATOM 1482 CD GLU A 98 -0.271 -5.092 -10.076 1.00 0.00 C ATOM 1483 OE1 GLU A 98 -1.418 -4.604 -10.134 1.00 0.00 O ATOM 1484 OE2 GLU A 98 0.351 -5.503 -11.078 1.00 0.00 O ATOM 0 H GLU A 98 -1.711 -7.003 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 98 1.068 -6.564 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.259 -6.321 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.159 -4.693 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.871 -4.237 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.200 -5.934 -8.770 1.00 0.00 H new ATOM 1491 N ILE A 99 1.590 -4.975 -4.790 1.00 0.00 N ATOM 1492 CA ILE A 99 1.985 -3.937 -3.846 1.00 0.00 C ATOM 1493 C ILE A 99 2.828 -2.865 -4.529 1.00 0.00 C ATOM 1494 O ILE A 99 3.910 -3.147 -5.043 1.00 0.00 O ATOM 1495 CB ILE A 99 2.779 -4.523 -2.664 1.00 0.00 C ATOM 1496 CG1 ILE A 99 2.172 -5.858 -2.226 1.00 0.00 C ATOM 1497 CG2 ILE A 99 2.804 -3.540 -1.503 1.00 0.00 C ATOM 1498 CD1 ILE A 99 0.679 -5.795 -1.992 1.00 0.00 C ATOM 0 H ILE A 99 2.294 -5.697 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 99 1.066 -3.488 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 99 3.805 -4.700 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.381 -6.610 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.662 -6.187 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.369 -3.969 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.277 -2.611 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.784 -3.335 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.317 -6.776 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.464 -5.067 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.179 -5.496 -2.913 1.00 0.00 H new ATOM 1510 N ALA A 100 2.325 -1.635 -4.529 1.00 0.00 N ATOM 1511 CA ALA A 100 3.034 -0.520 -5.144 1.00 0.00 C ATOM 1512 C ALA A 100 3.373 0.552 -4.114 1.00 0.00 C ATOM 1513 O ALA A 100 2.485 1.224 -3.588 1.00 0.00 O ATOM 1514 CB ALA A 100 2.205 0.074 -6.273 1.00 0.00 C ATOM 0 H ALA A 100 1.429 -1.386 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 100 3.969 -0.900 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.747 0.906 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.019 -0.689 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.255 0.432 -5.877 1.00 0.00 H new ATOM 1520 N PHE A 101 4.661 0.705 -3.828 1.00 0.00 N ATOM 1521 CA PHE A 101 5.117 1.695 -2.858 1.00 0.00 C ATOM 1522 C PHE A 101 6.431 2.329 -3.305 1.00 0.00 C ATOM 1523 O PHE A 101 6.916 2.067 -4.406 1.00 0.00 O ATOM 1524 CB PHE A 101 5.291 1.048 -1.482 1.00 0.00 C ATOM 1525 CG PHE A 101 6.267 -0.093 -1.475 1.00 0.00 C ATOM 1526 CD1 PHE A 101 6.037 -1.223 -2.244 1.00 0.00 C ATOM 1527 CD2 PHE A 101 7.414 -0.037 -0.699 1.00 0.00 C ATOM 1528 CE1 PHE A 101 6.933 -2.275 -2.241 1.00 0.00 C ATOM 1529 CE2 PHE A 101 8.313 -1.086 -0.692 1.00 0.00 C ATOM 1530 CZ PHE A 101 8.072 -2.207 -1.463 1.00 0.00 C ATOM 0 H PHE A 101 5.408 0.156 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 101 4.361 2.478 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.625 1.805 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.323 0.689 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.147 -1.282 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.607 0.836 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.743 -3.149 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.204 -1.030 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.773 -3.029 -1.457 1.00 0.00 H new ATOM 1540 N ILE A 102 7.000 3.165 -2.443 1.00 0.00 N ATOM 1541 CA ILE A 102 8.257 3.836 -2.747 1.00 0.00 C ATOM 1542 C ILE A 102 9.387 3.314 -1.866 1.00 0.00 C ATOM 1543 O ILE A 102 9.366 3.483 -0.647 1.00 0.00 O ATOM 1544 CB ILE A 102 8.141 5.361 -2.563 1.00 0.00 C ATOM 1545 CG1 ILE A 102 7.065 5.928 -3.492 1.00 0.00 C ATOM 1546 CG2 ILE A 102 9.481 6.030 -2.825 1.00 0.00 C ATOM 1547 CD1 ILE A 102 5.684 5.948 -2.876 1.00 0.00 C ATOM 0 H ILE A 102 6.610 3.394 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 102 8.484 3.620 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 102 7.850 5.567 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.341 6.943 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.037 5.336 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.382 7.107 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.223 5.644 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.799 5.819 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.973 6.362 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.387 4.932 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.696 6.564 -1.977 1.00 0.00 H new ATOM 1559 N ARG A 103 10.373 2.680 -2.492 1.00 0.00 N ATOM 1560 CA ARG A 103 11.513 2.133 -1.765 1.00 0.00 C ATOM 1561 C ARG A 103 12.755 2.995 -1.973 1.00 0.00 C ATOM 1562 O ARG A 103 13.304 3.055 -3.073 1.00 0.00 O ATOM 1563 CB ARG A 103 11.793 0.699 -2.218 1.00 0.00 C ATOM 1564 CG ARG A 103 12.412 -0.171 -1.136 1.00 0.00 C ATOM 1565 CD ARG A 103 13.926 -0.030 -1.106 1.00 0.00 C ATOM 1566 NE ARG A 103 14.597 -1.327 -1.114 1.00 0.00 N ATOM 1567 CZ ARG A 103 15.851 -1.503 -1.516 1.00 0.00 C ATOM 1568 NH1 ARG A 103 16.566 -0.470 -1.939 1.00 0.00 N ATOM 1569 NH2 ARG A 103 16.392 -2.714 -1.493 1.00 0.00 N ATOM 0 H ARG A 103 10.406 2.532 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 103 11.267 2.130 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.860 0.243 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.460 0.723 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.000 0.106 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.146 -1.214 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.253 0.552 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.221 0.525 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 103 14.074 -2.142 -0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.154 0.463 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.529 -0.608 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.845 -3.511 -1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.355 -2.848 -1.802 1.00 0.00 H new ATOM 1583 N SER A 104 13.191 3.662 -0.909 1.00 0.00 N ATOM 1584 CA SER A 104 14.365 4.524 -0.976 1.00 0.00 C ATOM 1585 C SER A 104 15.125 4.509 0.347 1.00 0.00 C ATOM 1586 O SER A 104 15.736 5.504 0.736 1.00 0.00 O ATOM 1587 CB SER A 104 13.953 5.956 -1.324 1.00 0.00 C ATOM 1588 OG SER A 104 15.053 6.695 -1.826 1.00 0.00 O ATOM 0 H SER A 104 12.749 3.622 0.009 1.00 0.00 H new ATOM 0 HA SER A 104 15.022 4.142 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.154 5.938 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.554 6.449 -0.437 1.00 0.00 H new ATOM 0 HG SER A 104 15.794 6.653 -1.186 1.00 0.00 H new ATOM 1594 N GLY A 105 15.083 3.371 1.034 1.00 0.00 N ATOM 1595 CA GLY A 105 15.772 3.247 2.305 1.00 0.00 C ATOM 1596 C GLY A 105 16.982 2.337 2.222 1.00 0.00 C ATOM 1597 O GLY A 105 17.320 1.814 1.161 1.00 0.00 O ATOM 0 H GLY A 105 14.584 2.534 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 105 16.086 4.235 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.081 2.860 3.053 1.00 0.00 H new ATOM 1601 N PRO A 106 17.656 2.138 3.364 1.00 0.00 N ATOM 1602 CA PRO A 106 18.847 1.286 3.442 1.00 0.00 C ATOM 1603 C PRO A 106 18.514 -0.192 3.267 1.00 0.00 C ATOM 1604 O PRO A 106 17.702 -0.747 4.007 1.00 0.00 O ATOM 1605 CB PRO A 106 19.380 1.550 4.853 1.00 0.00 C ATOM 1606 CG PRO A 106 18.188 1.984 5.633 1.00 0.00 C ATOM 1607 CD PRO A 106 17.309 2.730 4.667 1.00 0.00 C ATOM 0 HA PRO A 106 19.563 1.512 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.828 0.653 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.151 2.320 4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.664 1.126 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 106 18.479 2.621 6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 106 16.253 2.597 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 106 17.508 3.801 4.687 1.00 0.00 H new ATOM 1615 N SER A 107 19.147 -0.823 2.283 1.00 0.00 N ATOM 1616 CA SER A 107 18.915 -2.237 2.009 1.00 0.00 C ATOM 1617 C SER A 107 19.834 -2.732 0.897 1.00 0.00 C ATOM 1618 O SER A 107 20.511 -3.750 1.043 1.00 0.00 O ATOM 1619 CB SER A 107 17.454 -2.470 1.620 1.00 0.00 C ATOM 1620 OG SER A 107 16.873 -3.494 2.409 1.00 0.00 O ATOM 0 H SER A 107 19.824 -0.378 1.663 1.00 0.00 H new ATOM 0 HA SER A 107 19.136 -2.799 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.889 -1.546 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.394 -2.740 0.566 1.00 0.00 H new ATOM 0 HG SER A 107 15.939 -3.622 2.142 1.00 0.00 H new ATOM 1626 N SER A 108 19.853 -2.004 -0.215 1.00 0.00 N ATOM 1627 CA SER A 108 20.685 -2.371 -1.355 1.00 0.00 C ATOM 1628 C SER A 108 21.848 -1.395 -1.514 1.00 0.00 C ATOM 1629 O SER A 108 21.678 -0.287 -2.020 1.00 0.00 O ATOM 1630 CB SER A 108 19.850 -2.399 -2.636 1.00 0.00 C ATOM 1631 OG SER A 108 19.610 -3.730 -3.059 1.00 0.00 O ATOM 0 H SER A 108 19.302 -1.157 -0.351 1.00 0.00 H new ATOM 0 HA SER A 108 21.090 -3.367 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.901 -1.891 -2.466 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.368 -1.852 -3.424 1.00 0.00 H new ATOM 0 HG SER A 108 19.073 -3.721 -3.879 1.00 0.00 H new ATOM 1637 N GLY A 109 23.031 -1.817 -1.077 1.00 0.00 N ATOM 1638 CA GLY A 109 24.204 -0.970 -1.179 1.00 0.00 C ATOM 1639 C GLY A 109 24.239 0.104 -0.110 1.00 0.00 C ATOM 1640 O GLY A 109 23.840 -0.133 1.030 1.00 0.00 O ATOM 0 H GLY A 109 23.197 -2.730 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 109 25.100 -1.585 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 109 24.225 -0.500 -2.162 1.00 0.00 H new TER 1644 GLY A 109