USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 793 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 16 GLN : amide:sc= -0.285 X(o=-0.61,f=-0.45) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.323 K(o=-0.61,f=-2.6) USER MOD Set 2.1: A 11 SER OG : rot -90:sc= -0.543! USER MOD Set 2.2: A 60 LYS NZ :NH3+ -166:sc= -0.825 (180deg=-0.148) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.162 (180deg=-0.431) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.0385! (180deg=-1.09!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.773 K(o=0.77,f=-3.9!) USER MOD Single : A 10 CYS SG : rot -60:sc= 0.109 USER MOD Single : A 14 THR OG1 : rot -25:sc= 1.12 USER MOD Single : A 19 SER OG : rot 4:sc= 0.906 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0.839 (180deg=0.638) USER MOD Single : A 30 ASN : amide:sc= 1.53 K(o=1.5,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -0.0087 (180deg=-0.164) USER MOD Single : A 35 SER OG : rot -35:sc= 0.322 USER MOD Single : A 37 THR OG1 : rot -58:sc= 0.72 USER MOD Single : A 39 GLN : amide:sc= -1.22 K(o=-1.2,f=-11!) USER MOD Single : A 44 SER OG : rot 140:sc= 0.0888 USER MOD Single : A 46 GLN : amide:sc= -0.088 K(o=-0.088,f=-2.6!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 42:sc= 0.87 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -1:sc= 0.706 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -166:sc= 0.0183 USER MOD Single : A 82 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.04) USER MOD Single : A 85 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.66) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -2.33! K(o=-2.3!,f=-0.7) USER MOD Single : A 96 HIS : no HE2:sc= -0.494 K(o=-0.49,f=-1.6) USER MOD Single : A 97 HIS : no HD1:sc= -0.567 K(o=-0.57,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.113 -12.659 -34.734 1.00 14.01 N ATOM 2 CA MET A 1 2.976 -12.110 -33.950 1.00 24.15 C ATOM 3 C MET A 1 3.002 -12.621 -32.504 1.00 53.54 C ATOM 4 O MET A 1 3.003 -13.830 -32.263 1.00 25.21 O ATOM 5 CB MET A 1 1.642 -12.463 -34.628 1.00 2.23 C ATOM 6 CG MET A 1 1.433 -13.953 -34.885 1.00 73.01 C ATOM 7 SD MET A 1 2.706 -14.669 -35.949 1.00 3.21 S ATOM 8 CE MET A 1 2.487 -13.724 -37.458 1.00 22.31 C ATOM 0 H1 MET A 1 4.387 -11.979 -35.471 1.00 14.01 H new ATOM 0 H2 MET A 1 4.921 -12.828 -34.102 1.00 14.01 H new ATOM 0 H3 MET A 1 3.828 -13.555 -35.179 1.00 14.01 H new ATOM 0 HA MET A 1 3.076 -11.025 -33.920 1.00 24.15 H new ATOM 0 HB2 MET A 1 0.825 -12.097 -34.005 1.00 2.23 H new ATOM 0 HB3 MET A 1 1.581 -11.932 -35.578 1.00 2.23 H new ATOM 0 HG2 MET A 1 1.423 -14.483 -33.932 1.00 73.01 H new ATOM 0 HG3 MET A 1 0.456 -14.104 -35.344 1.00 73.01 H new ATOM 0 HE1 MET A 1 2.577 -14.387 -38.319 1.00 22.31 H new ATOM 0 HE2 MET A 1 1.500 -13.261 -37.458 1.00 22.31 H new ATOM 0 HE3 MET A 1 3.251 -12.949 -37.516 1.00 22.31 H new ATOM 20 N ASP A 2 3.018 -11.700 -31.544 1.00 41.21 N ATOM 21 CA ASP A 2 3.138 -12.061 -30.128 1.00 60.04 C ATOM 22 C ASP A 2 1.851 -12.702 -29.571 1.00 35.44 C ATOM 23 O ASP A 2 1.013 -12.023 -28.973 1.00 13.13 O ATOM 24 CB ASP A 2 3.503 -10.832 -29.291 1.00 54.15 C ATOM 25 CG ASP A 2 4.785 -10.164 -29.752 1.00 54.31 C ATOM 26 OD1 ASP A 2 4.719 -9.314 -30.667 1.00 42.43 O ATOM 27 OD2 ASP A 2 5.860 -10.476 -29.198 1.00 35.00 O ATOM 0 H ASP A 2 2.950 -10.697 -31.718 1.00 41.21 H new ATOM 0 HA ASP A 2 3.933 -12.803 -30.060 1.00 60.04 H new ATOM 0 HB2 ASP A 2 2.687 -10.111 -29.338 1.00 54.15 H new ATOM 0 HB3 ASP A 2 3.608 -11.128 -28.247 1.00 54.15 H new ATOM 32 N ARG A 3 1.701 -14.012 -29.759 1.00 10.53 N ATOM 33 CA ARG A 3 0.567 -14.744 -29.180 1.00 15.01 C ATOM 34 C ARG A 3 0.751 -14.886 -27.664 1.00 72.22 C ATOM 35 O ARG A 3 -0.196 -15.169 -26.925 1.00 72.01 O ATOM 36 CB ARG A 3 0.404 -16.125 -29.839 1.00 22.44 C ATOM 37 CG ARG A 3 1.536 -17.106 -29.538 1.00 14.13 C ATOM 38 CD ARG A 3 1.337 -18.435 -30.265 1.00 52.05 C ATOM 39 NE ARG A 3 0.022 -19.023 -29.995 1.00 51.54 N ATOM 40 CZ ARG A 3 -0.452 -20.075 -30.610 1.00 43.14 C ATOM 41 NH1 ARG A 3 0.248 -20.680 -31.513 1.00 55.51 N ATOM 42 NH2 ARG A 3 -1.636 -20.507 -30.324 1.00 33.12 N ATOM 0 H ARG A 3 2.343 -14.588 -30.303 1.00 10.53 H new ATOM 0 HA ARG A 3 -0.343 -14.175 -29.372 1.00 15.01 H new ATOM 0 HB2 ARG A 3 -0.538 -16.563 -29.508 1.00 22.44 H new ATOM 0 HB3 ARG A 3 0.332 -15.993 -30.919 1.00 22.44 H new ATOM 0 HG2 ARG A 3 2.488 -16.667 -29.836 1.00 14.13 H new ATOM 0 HG3 ARG A 3 1.589 -17.283 -28.464 1.00 14.13 H new ATOM 0 HD2 ARG A 3 1.451 -18.281 -31.338 1.00 52.05 H new ATOM 0 HD3 ARG A 3 2.115 -19.134 -29.959 1.00 52.05 H new ATOM 0 HE ARG A 3 -0.560 -18.584 -29.282 1.00 51.54 H new ATOM 0 HH11 ARG A 3 1.179 -20.337 -31.751 1.00 55.51 H new ATOM 0 HH12 ARG A 3 -0.130 -21.500 -31.987 1.00 55.51 H new ATOM 0 HH21 ARG A 3 -2.198 -20.028 -29.620 1.00 33.12 H new ATOM 0 HH22 ARG A 3 -2.009 -21.327 -30.802 1.00 33.12 H new ATOM 56 N LYS A 4 1.984 -14.668 -27.214 1.00 23.23 N ATOM 57 CA LYS A 4 2.319 -14.666 -25.787 1.00 4.23 C ATOM 58 C LYS A 4 1.547 -13.574 -25.013 1.00 31.11 C ATOM 59 O LYS A 4 1.313 -13.701 -23.812 1.00 24.11 O ATOM 60 CB LYS A 4 3.834 -14.467 -25.619 1.00 42.41 C ATOM 61 CG LYS A 4 4.379 -13.269 -26.393 1.00 0.34 C ATOM 62 CD LYS A 4 5.877 -13.073 -26.182 1.00 53.53 C ATOM 63 CE LYS A 4 6.217 -12.796 -24.722 1.00 53.40 C ATOM 64 NZ LYS A 4 7.656 -12.469 -24.537 1.00 4.42 N ATOM 0 H LYS A 4 2.780 -14.488 -27.825 1.00 23.23 H new ATOM 0 HA LYS A 4 2.022 -15.628 -25.368 1.00 4.23 H new ATOM 0 HB2 LYS A 4 4.061 -14.340 -24.560 1.00 42.41 H new ATOM 0 HB3 LYS A 4 4.350 -15.369 -25.949 1.00 42.41 H new ATOM 0 HG2 LYS A 4 4.179 -13.405 -27.456 1.00 0.34 H new ATOM 0 HG3 LYS A 4 3.850 -12.368 -26.082 1.00 0.34 H new ATOM 0 HD2 LYS A 4 6.410 -13.964 -26.516 1.00 53.53 H new ATOM 0 HD3 LYS A 4 6.225 -12.244 -26.799 1.00 53.53 H new ATOM 0 HE2 LYS A 4 5.608 -11.968 -24.359 1.00 53.40 H new ATOM 0 HE3 LYS A 4 5.963 -13.668 -24.119 1.00 53.40 H new ATOM 0 HZ1 LYS A 4 7.844 -12.288 -23.530 1.00 4.42 H new ATOM 0 HZ2 LYS A 4 8.238 -13.268 -24.860 1.00 4.42 H new ATOM 0 HZ3 LYS A 4 7.894 -11.622 -25.092 1.00 4.42 H new ATOM 78 N LEU A 5 1.160 -12.499 -25.703 1.00 45.41 N ATOM 79 CA LEU A 5 0.365 -11.427 -25.082 1.00 45.25 C ATOM 80 C LEU A 5 -1.127 -11.798 -24.999 1.00 23.24 C ATOM 81 O LEU A 5 -1.862 -11.263 -24.170 1.00 21.32 O ATOM 82 CB LEU A 5 0.537 -10.099 -25.851 1.00 1.14 C ATOM 83 CG LEU A 5 1.750 -9.238 -25.448 1.00 41.41 C ATOM 84 CD1 LEU A 5 1.645 -8.795 -23.990 1.00 73.34 C ATOM 85 CD2 LEU A 5 3.059 -9.982 -25.690 1.00 51.13 C ATOM 0 H LEU A 5 1.381 -12.344 -26.687 1.00 45.41 H new ATOM 0 HA LEU A 5 0.738 -11.299 -24.066 1.00 45.25 H new ATOM 0 HB2 LEU A 5 0.614 -10.325 -26.914 1.00 1.14 H new ATOM 0 HB3 LEU A 5 -0.367 -9.504 -25.716 1.00 1.14 H new ATOM 0 HG LEU A 5 1.747 -8.348 -26.077 1.00 41.41 H new ATOM 0 HD11 LEU A 5 2.513 -8.189 -23.730 1.00 73.34 H new ATOM 0 HD12 LEU A 5 0.738 -8.207 -23.853 1.00 73.34 H new ATOM 0 HD13 LEU A 5 1.609 -9.673 -23.345 1.00 73.34 H new ATOM 0 HD21 LEU A 5 3.897 -9.349 -25.396 1.00 51.13 H new ATOM 0 HD22 LEU A 5 3.071 -10.898 -25.099 1.00 51.13 H new ATOM 0 HD23 LEU A 5 3.146 -10.231 -26.748 1.00 51.13 H new ATOM 97 N LEU A 6 -1.562 -12.747 -25.833 1.00 1.40 N ATOM 98 CA LEU A 6 -2.981 -13.149 -25.893 1.00 15.01 C ATOM 99 C LEU A 6 -3.396 -14.041 -24.698 1.00 74.12 C ATOM 100 O LEU A 6 -4.442 -14.688 -24.727 1.00 24.24 O ATOM 101 CB LEU A 6 -3.256 -13.876 -27.220 1.00 21.02 C ATOM 102 CG LEU A 6 -3.003 -13.046 -28.495 1.00 41.30 C ATOM 103 CD1 LEU A 6 -3.292 -13.872 -29.750 1.00 51.45 C ATOM 104 CD2 LEU A 6 -3.836 -11.763 -28.483 1.00 51.41 C ATOM 0 H LEU A 6 -0.956 -13.254 -26.478 1.00 1.40 H new ATOM 0 HA LEU A 6 -3.582 -12.242 -25.834 1.00 15.01 H new ATOM 0 HB2 LEU A 6 -2.634 -14.770 -27.260 1.00 21.02 H new ATOM 0 HB3 LEU A 6 -4.294 -14.209 -27.224 1.00 21.02 H new ATOM 0 HG LEU A 6 -1.950 -12.765 -28.512 1.00 41.30 H new ATOM 0 HD11 LEU A 6 -3.106 -13.265 -30.636 1.00 51.45 H new ATOM 0 HD12 LEU A 6 -2.642 -14.747 -29.767 1.00 51.45 H new ATOM 0 HD13 LEU A 6 -4.334 -14.193 -29.742 1.00 51.45 H new ATOM 0 HD21 LEU A 6 -3.641 -11.194 -29.392 1.00 51.41 H new ATOM 0 HD22 LEU A 6 -4.895 -12.017 -28.434 1.00 51.41 H new ATOM 0 HD23 LEU A 6 -3.567 -11.162 -27.614 1.00 51.41 H new ATOM 116 N HIS A 7 -2.589 -14.034 -23.637 1.00 53.05 N ATOM 117 CA HIS A 7 -2.887 -14.791 -22.409 1.00 4.13 C ATOM 118 C HIS A 7 -4.017 -14.134 -21.590 1.00 21.11 C ATOM 119 O HIS A 7 -4.324 -14.585 -20.487 1.00 71.14 O ATOM 120 CB HIS A 7 -1.622 -14.910 -21.540 1.00 0.10 C ATOM 121 CG HIS A 7 -1.123 -13.595 -21.004 1.00 74.22 C ATOM 122 ND1 HIS A 7 -0.011 -12.955 -21.500 1.00 24.03 N ATOM 123 CD2 HIS A 7 -1.596 -12.800 -20.011 1.00 21.11 C ATOM 124 CE1 HIS A 7 0.178 -11.829 -20.842 1.00 4.41 C ATOM 125 NE2 HIS A 7 -0.767 -11.710 -19.936 1.00 65.30 N ATOM 0 H HIS A 7 -1.715 -13.509 -23.598 1.00 53.05 H new ATOM 0 HA HIS A 7 -3.222 -15.783 -22.710 1.00 4.13 H new ATOM 0 HB2 HIS A 7 -1.830 -15.577 -20.703 1.00 0.10 H new ATOM 0 HB3 HIS A 7 -0.831 -15.375 -22.129 1.00 0.10 H new ATOM 0 HD1 HIS A 7 0.576 -13.299 -22.260 1.00 24.03 H new ATOM 0 HD2 HIS A 7 -2.463 -12.990 -19.395 1.00 21.11 H new ATOM 0 HE1 HIS A 7 0.976 -11.122 -21.018 1.00 4.41 H new ATOM 134 N LEU A 8 -4.599 -13.061 -22.139 1.00 73.53 N ATOM 135 CA LEU A 8 -5.602 -12.221 -21.453 1.00 12.23 C ATOM 136 C LEU A 8 -6.502 -12.996 -20.472 1.00 60.51 C ATOM 137 O LEU A 8 -7.287 -13.865 -20.869 1.00 2.42 O ATOM 138 CB LEU A 8 -6.476 -11.503 -22.493 1.00 71.51 C ATOM 139 CG LEU A 8 -5.708 -10.650 -23.517 1.00 22.32 C ATOM 140 CD1 LEU A 8 -6.667 -9.991 -24.503 1.00 50.31 C ATOM 141 CD2 LEU A 8 -4.844 -9.603 -22.815 1.00 13.21 C ATOM 0 H LEU A 8 -4.387 -12.743 -23.085 1.00 73.53 H new ATOM 0 HA LEU A 8 -5.040 -11.504 -20.855 1.00 12.23 H new ATOM 0 HB2 LEU A 8 -7.060 -12.250 -23.031 1.00 71.51 H new ATOM 0 HB3 LEU A 8 -7.184 -10.862 -21.968 1.00 71.51 H new ATOM 0 HG LEU A 8 -5.047 -11.310 -24.079 1.00 22.32 H new ATOM 0 HD11 LEU A 8 -6.101 -9.393 -25.217 1.00 50.31 H new ATOM 0 HD12 LEU A 8 -7.226 -10.760 -25.036 1.00 50.31 H new ATOM 0 HD13 LEU A 8 -7.361 -9.348 -23.961 1.00 50.31 H new ATOM 0 HD21 LEU A 8 -4.311 -9.012 -23.560 1.00 13.21 H new ATOM 0 HD22 LEU A 8 -5.479 -8.948 -22.219 1.00 13.21 H new ATOM 0 HD23 LEU A 8 -4.125 -10.101 -22.165 1.00 13.21 H new ATOM 153 N LEU A 9 -6.371 -12.666 -19.190 1.00 12.32 N ATOM 154 CA LEU A 9 -7.181 -13.270 -18.130 1.00 4.24 C ATOM 155 C LEU A 9 -7.522 -12.203 -17.077 1.00 51.23 C ATOM 156 O LEU A 9 -6.663 -11.788 -16.295 1.00 21.40 O ATOM 157 CB LEU A 9 -6.419 -14.454 -17.494 1.00 31.33 C ATOM 158 CG LEU A 9 -7.266 -15.488 -16.715 1.00 65.01 C ATOM 159 CD1 LEU A 9 -6.419 -16.710 -16.362 1.00 11.11 C ATOM 160 CD2 LEU A 9 -7.872 -14.888 -15.446 1.00 53.41 C ATOM 0 H LEU A 9 -5.702 -11.973 -18.854 1.00 12.32 H new ATOM 0 HA LEU A 9 -8.111 -13.654 -18.550 1.00 4.24 H new ATOM 0 HB2 LEU A 9 -5.885 -14.979 -18.286 1.00 31.33 H new ATOM 0 HB3 LEU A 9 -5.667 -14.050 -16.816 1.00 31.33 H new ATOM 0 HG LEU A 9 -8.087 -15.792 -17.364 1.00 65.01 H new ATOM 0 HD11 LEU A 9 -7.028 -17.429 -15.814 1.00 11.11 H new ATOM 0 HD12 LEU A 9 -6.047 -17.172 -17.277 1.00 11.11 H new ATOM 0 HD13 LEU A 9 -5.576 -16.402 -15.743 1.00 11.11 H new ATOM 0 HD21 LEU A 9 -8.459 -15.647 -14.929 1.00 53.41 H new ATOM 0 HD22 LEU A 9 -7.073 -14.539 -14.792 1.00 53.41 H new ATOM 0 HD23 LEU A 9 -8.516 -14.050 -15.712 1.00 53.41 H new ATOM 172 N CYS A 10 -8.773 -11.750 -17.075 1.00 73.11 N ATOM 173 CA CYS A 10 -9.214 -10.695 -16.155 1.00 20.04 C ATOM 174 C CYS A 10 -9.507 -11.240 -14.749 1.00 31.34 C ATOM 175 O CYS A 10 -9.963 -12.371 -14.589 1.00 71.22 O ATOM 176 CB CYS A 10 -10.464 -9.993 -16.697 1.00 2.41 C ATOM 177 SG CYS A 10 -11.060 -8.645 -15.646 1.00 1.25 S ATOM 0 H CYS A 10 -9.503 -12.095 -17.699 1.00 73.11 H new ATOM 0 HA CYS A 10 -8.395 -9.980 -16.079 1.00 20.04 H new ATOM 0 HB2 CYS A 10 -10.246 -9.598 -17.689 1.00 2.41 H new ATOM 0 HB3 CYS A 10 -11.260 -10.728 -16.815 1.00 2.41 H new ATOM 0 HG CYS A 10 -11.365 -9.112 -14.472 1.00 1.25 H new ATOM 183 N SER A 11 -9.234 -10.419 -13.736 1.00 33.25 N ATOM 184 CA SER A 11 -9.511 -10.781 -12.338 1.00 2.44 C ATOM 185 C SER A 11 -11.026 -10.845 -12.075 1.00 22.14 C ATOM 186 O SER A 11 -11.796 -10.061 -12.637 1.00 31.42 O ATOM 187 CB SER A 11 -8.868 -9.760 -11.382 1.00 2.45 C ATOM 188 OG SER A 11 -7.463 -9.655 -11.594 1.00 21.53 O ATOM 0 H SER A 11 -8.820 -9.494 -13.853 1.00 33.25 H new ATOM 0 HA SER A 11 -9.081 -11.766 -12.158 1.00 2.44 H new ATOM 0 HB2 SER A 11 -9.332 -8.784 -11.525 1.00 2.45 H new ATOM 0 HB3 SER A 11 -9.060 -10.056 -10.351 1.00 2.45 H new ATOM 0 HG SER A 11 -6.997 -10.300 -11.022 1.00 21.53 H new ATOM 194 N PRO A 12 -11.478 -11.789 -11.228 1.00 52.31 N ATOM 195 CA PRO A 12 -12.895 -11.885 -10.842 1.00 52.21 C ATOM 196 C PRO A 12 -13.348 -10.674 -10.007 1.00 62.15 C ATOM 197 O PRO A 12 -12.862 -10.456 -8.897 1.00 71.21 O ATOM 198 CB PRO A 12 -12.966 -13.181 -10.014 1.00 73.23 C ATOM 199 CG PRO A 12 -11.690 -13.904 -10.305 1.00 44.03 C ATOM 200 CD PRO A 12 -10.668 -12.837 -10.591 1.00 51.42 C ATOM 0 HA PRO A 12 -13.555 -11.896 -11.709 1.00 52.21 H new ATOM 0 HB2 PRO A 12 -13.061 -12.964 -8.950 1.00 73.23 H new ATOM 0 HB3 PRO A 12 -13.831 -13.781 -10.296 1.00 73.23 H new ATOM 0 HG2 PRO A 12 -11.387 -14.518 -9.457 1.00 44.03 H new ATOM 0 HG3 PRO A 12 -11.806 -14.573 -11.158 1.00 44.03 H new ATOM 0 HD2 PRO A 12 -10.186 -12.481 -9.680 1.00 51.42 H new ATOM 0 HD3 PRO A 12 -9.878 -13.197 -11.250 1.00 51.42 H new ATOM 208 N ASP A 13 -14.291 -9.904 -10.547 1.00 53.34 N ATOM 209 CA ASP A 13 -14.732 -8.642 -9.937 1.00 50.04 C ATOM 210 C ASP A 13 -15.252 -8.814 -8.495 1.00 55.53 C ATOM 211 O ASP A 13 -15.247 -7.864 -7.712 1.00 55.34 O ATOM 212 CB ASP A 13 -15.814 -8.003 -10.812 1.00 1.42 C ATOM 213 CG ASP A 13 -16.985 -8.941 -11.046 1.00 65.41 C ATOM 214 OD1 ASP A 13 -16.838 -9.896 -11.836 1.00 73.44 O ATOM 215 OD2 ASP A 13 -18.053 -8.736 -10.437 1.00 1.52 O ATOM 0 H ASP A 13 -14.772 -10.133 -11.417 1.00 53.34 H new ATOM 0 HA ASP A 13 -13.859 -7.993 -9.876 1.00 50.04 H new ATOM 0 HB2 ASP A 13 -16.171 -7.089 -10.337 1.00 1.42 H new ATOM 0 HB3 ASP A 13 -15.382 -7.716 -11.771 1.00 1.42 H new ATOM 220 N THR A 14 -15.707 -10.020 -8.154 1.00 2.52 N ATOM 221 CA THR A 14 -16.240 -10.291 -6.806 1.00 44.53 C ATOM 222 C THR A 14 -15.377 -11.299 -6.024 1.00 52.33 C ATOM 223 O THR A 14 -15.785 -11.788 -4.967 1.00 3.33 O ATOM 224 CB THR A 14 -17.700 -10.812 -6.871 1.00 32.32 C ATOM 225 OG1 THR A 14 -18.218 -11.035 -5.545 1.00 71.41 O ATOM 226 CG2 THR A 14 -17.789 -12.103 -7.674 1.00 53.33 C ATOM 0 H THR A 14 -15.720 -10.823 -8.783 1.00 2.52 H new ATOM 0 HA THR A 14 -16.217 -9.339 -6.277 1.00 44.53 H new ATOM 0 HB THR A 14 -18.299 -10.049 -7.369 1.00 32.32 H new ATOM 0 HG1 THR A 14 -17.475 -11.196 -4.926 1.00 71.41 H new ATOM 0 HG21 THR A 14 -18.824 -12.444 -7.702 1.00 53.33 H new ATOM 0 HG22 THR A 14 -17.438 -11.924 -8.690 1.00 53.33 H new ATOM 0 HG23 THR A 14 -17.168 -12.867 -7.205 1.00 53.33 H new ATOM 234 N ARG A 15 -14.180 -11.600 -6.527 1.00 51.22 N ATOM 235 CA ARG A 15 -13.266 -12.528 -5.842 1.00 60.02 C ATOM 236 C ARG A 15 -11.848 -11.938 -5.733 1.00 62.22 C ATOM 237 O ARG A 15 -11.023 -12.094 -6.633 1.00 34.25 O ATOM 238 CB ARG A 15 -13.214 -13.888 -6.565 1.00 23.03 C ATOM 239 CG ARG A 15 -12.314 -14.926 -5.886 1.00 11.11 C ATOM 240 CD ARG A 15 -12.984 -15.611 -4.692 1.00 50.32 C ATOM 241 NE ARG A 15 -13.524 -14.665 -3.713 1.00 33.44 N ATOM 242 CZ ARG A 15 -13.004 -14.443 -2.533 1.00 44.01 C ATOM 243 NH1 ARG A 15 -11.891 -15.001 -2.182 1.00 53.22 N ATOM 244 NH2 ARG A 15 -13.594 -13.644 -1.708 1.00 63.24 N ATOM 0 H ARG A 15 -13.817 -11.220 -7.401 1.00 51.22 H new ATOM 0 HA ARG A 15 -13.655 -12.681 -4.835 1.00 60.02 H new ATOM 0 HB2 ARG A 15 -14.225 -14.289 -6.633 1.00 23.03 H new ATOM 0 HB3 ARG A 15 -12.864 -13.731 -7.585 1.00 23.03 H new ATOM 0 HG2 ARG A 15 -12.026 -15.682 -6.616 1.00 11.11 H new ATOM 0 HG3 ARG A 15 -11.397 -14.440 -5.551 1.00 11.11 H new ATOM 0 HD2 ARG A 15 -13.790 -16.250 -5.053 1.00 50.32 H new ATOM 0 HD3 ARG A 15 -12.259 -16.259 -4.200 1.00 50.32 H new ATOM 0 HE ARG A 15 -14.363 -14.144 -3.968 1.00 33.44 H new ATOM 0 HH11 ARG A 15 -11.407 -15.624 -2.829 1.00 53.22 H new ATOM 0 HH12 ARG A 15 -11.498 -14.818 -1.259 1.00 53.22 H new ATOM 0 HH21 ARG A 15 -14.465 -13.186 -1.976 1.00 63.24 H new ATOM 0 HH22 ARG A 15 -13.189 -13.471 -0.788 1.00 63.24 H new ATOM 258 N GLN A 16 -11.588 -11.252 -4.626 1.00 41.42 N ATOM 259 CA GLN A 16 -10.271 -10.662 -4.354 1.00 70.54 C ATOM 260 C GLN A 16 -9.557 -11.408 -3.214 1.00 63.42 C ATOM 261 O GLN A 16 -9.873 -11.200 -2.040 1.00 34.33 O ATOM 262 CB GLN A 16 -10.430 -9.176 -3.992 1.00 11.15 C ATOM 263 CG GLN A 16 -10.846 -8.285 -5.163 1.00 4.54 C ATOM 264 CD GLN A 16 -9.678 -7.916 -6.066 1.00 44.24 C ATOM 265 OE1 GLN A 16 -9.358 -8.613 -7.020 1.00 23.02 O ATOM 266 NE2 GLN A 16 -9.033 -6.806 -5.763 1.00 63.30 N ATOM 0 H GLN A 16 -12.276 -11.086 -3.892 1.00 41.42 H new ATOM 0 HA GLN A 16 -9.662 -10.752 -5.253 1.00 70.54 H new ATOM 0 HB2 GLN A 16 -11.172 -9.084 -3.199 1.00 11.15 H new ATOM 0 HB3 GLN A 16 -9.486 -8.809 -3.589 1.00 11.15 H new ATOM 0 HG2 GLN A 16 -11.607 -8.798 -5.752 1.00 4.54 H new ATOM 0 HG3 GLN A 16 -11.303 -7.374 -4.776 1.00 4.54 H new ATOM 0 HE21 GLN A 16 -9.326 -6.249 -4.961 1.00 63.30 H new ATOM 0 HE22 GLN A 16 -8.241 -6.505 -6.331 1.00 63.30 H new ATOM 275 N PRO A 17 -8.600 -12.305 -3.538 1.00 33.51 N ATOM 276 CA PRO A 17 -7.818 -13.029 -2.520 1.00 5.44 C ATOM 277 C PRO A 17 -6.990 -12.074 -1.643 1.00 1.33 C ATOM 278 O PRO A 17 -5.933 -11.590 -2.056 1.00 10.00 O ATOM 279 CB PRO A 17 -6.902 -13.951 -3.346 1.00 64.44 C ATOM 280 CG PRO A 17 -7.540 -14.025 -4.697 1.00 54.45 C ATOM 281 CD PRO A 17 -8.214 -12.697 -4.906 1.00 12.35 C ATOM 0 HA PRO A 17 -8.456 -13.573 -1.824 1.00 5.44 H new ATOM 0 HB2 PRO A 17 -5.891 -13.549 -3.409 1.00 64.44 H new ATOM 0 HB3 PRO A 17 -6.824 -14.939 -2.892 1.00 64.44 H new ATOM 0 HG2 PRO A 17 -6.796 -14.212 -5.471 1.00 54.45 H new ATOM 0 HG3 PRO A 17 -8.261 -14.841 -4.745 1.00 54.45 H new ATOM 0 HD2 PRO A 17 -7.541 -11.969 -5.360 1.00 12.35 H new ATOM 0 HD3 PRO A 17 -9.081 -12.782 -5.562 1.00 12.35 H new ATOM 289 N LEU A 18 -7.488 -11.796 -0.441 1.00 23.44 N ATOM 290 CA LEU A 18 -6.863 -10.817 0.462 1.00 75.13 C ATOM 291 C LEU A 18 -6.111 -11.519 1.612 1.00 20.24 C ATOM 292 O LEU A 18 -6.615 -12.474 2.210 1.00 54.02 O ATOM 293 CB LEU A 18 -7.959 -9.869 1.005 1.00 50.45 C ATOM 294 CG LEU A 18 -7.490 -8.602 1.760 1.00 21.02 C ATOM 295 CD1 LEU A 18 -7.083 -8.916 3.200 1.00 32.42 C ATOM 296 CD2 LEU A 18 -6.352 -7.911 1.007 1.00 14.44 C ATOM 0 H LEU A 18 -8.327 -12.235 -0.063 1.00 23.44 H new ATOM 0 HA LEU A 18 -6.124 -10.236 -0.090 1.00 75.13 H new ATOM 0 HB2 LEU A 18 -8.577 -9.552 0.165 1.00 50.45 H new ATOM 0 HB3 LEU A 18 -8.600 -10.443 1.674 1.00 50.45 H new ATOM 0 HG LEU A 18 -8.337 -7.917 1.806 1.00 21.02 H new ATOM 0 HD11 LEU A 18 -6.760 -8.000 3.695 1.00 32.42 H new ATOM 0 HD12 LEU A 18 -7.934 -9.337 3.735 1.00 32.42 H new ATOM 0 HD13 LEU A 18 -6.264 -9.635 3.198 1.00 32.42 H new ATOM 0 HD21 LEU A 18 -6.039 -7.023 1.556 1.00 14.44 H new ATOM 0 HD22 LEU A 18 -5.509 -8.596 0.913 1.00 14.44 H new ATOM 0 HD23 LEU A 18 -6.696 -7.621 0.014 1.00 14.44 H new ATOM 308 N SER A 19 -4.893 -11.048 1.896 1.00 13.14 N ATOM 309 CA SER A 19 -4.072 -11.572 3.005 1.00 42.23 C ATOM 310 C SER A 19 -3.135 -10.483 3.557 1.00 14.25 C ATOM 311 O SER A 19 -3.102 -9.372 3.040 1.00 72.41 O ATOM 312 CB SER A 19 -3.247 -12.792 2.550 1.00 14.44 C ATOM 313 OG SER A 19 -4.082 -13.909 2.259 1.00 61.14 O ATOM 0 H SER A 19 -4.445 -10.297 1.370 1.00 13.14 H new ATOM 0 HA SER A 19 -4.750 -11.885 3.799 1.00 42.23 H new ATOM 0 HB2 SER A 19 -2.667 -12.530 1.665 1.00 14.44 H new ATOM 0 HB3 SER A 19 -2.535 -13.062 3.330 1.00 14.44 H new ATOM 0 HG SER A 19 -5.022 -13.646 2.344 1.00 61.14 H new ATOM 319 N LEU A 20 -2.382 -10.801 4.612 1.00 44.23 N ATOM 320 CA LEU A 20 -1.452 -9.834 5.225 1.00 4.15 C ATOM 321 C LEU A 20 -0.248 -9.556 4.290 1.00 3.22 C ATOM 322 O LEU A 20 0.318 -10.480 3.704 1.00 11.54 O ATOM 323 CB LEU A 20 -0.973 -10.374 6.593 1.00 12.32 C ATOM 324 CG LEU A 20 -0.529 -9.324 7.641 1.00 20.42 C ATOM 325 CD1 LEU A 20 0.742 -8.591 7.214 1.00 1.13 C ATOM 326 CD2 LEU A 20 -1.657 -8.329 7.914 1.00 23.44 C ATOM 0 H LEU A 20 -2.393 -11.716 5.063 1.00 44.23 H new ATOM 0 HA LEU A 20 -1.974 -8.890 5.379 1.00 4.15 H new ATOM 0 HB2 LEU A 20 -1.779 -10.966 7.026 1.00 12.32 H new ATOM 0 HB3 LEU A 20 -0.138 -11.053 6.417 1.00 12.32 H new ATOM 0 HG LEU A 20 -0.301 -9.860 8.562 1.00 20.42 H new ATOM 0 HD11 LEU A 20 1.017 -7.864 7.978 1.00 1.13 H new ATOM 0 HD12 LEU A 20 1.552 -9.310 7.089 1.00 1.13 H new ATOM 0 HD13 LEU A 20 0.565 -8.075 6.270 1.00 1.13 H new ATOM 0 HD21 LEU A 20 -1.327 -7.599 8.653 1.00 23.44 H new ATOM 0 HD22 LEU A 20 -1.921 -7.816 6.989 1.00 23.44 H new ATOM 0 HD23 LEU A 20 -2.528 -8.862 8.295 1.00 23.44 H new ATOM 338 N LEU A 21 0.132 -8.282 4.154 1.00 72.53 N ATOM 339 CA LEU A 21 1.242 -7.878 3.272 1.00 14.43 C ATOM 340 C LEU A 21 2.614 -8.292 3.840 1.00 0.52 C ATOM 341 O LEU A 21 2.928 -8.020 5.002 1.00 64.23 O ATOM 342 CB LEU A 21 1.187 -6.360 3.033 1.00 54.24 C ATOM 343 CG LEU A 21 2.338 -5.756 2.208 1.00 21.53 C ATOM 344 CD1 LEU A 21 2.504 -6.472 0.871 1.00 62.11 C ATOM 345 CD2 LEU A 21 2.098 -4.265 1.983 1.00 1.02 C ATOM 0 H LEU A 21 -0.313 -7.506 4.644 1.00 72.53 H new ATOM 0 HA LEU A 21 1.123 -8.399 2.322 1.00 14.43 H new ATOM 0 HB2 LEU A 21 0.248 -6.127 2.531 1.00 54.24 H new ATOM 0 HB3 LEU A 21 1.163 -5.862 4.002 1.00 54.24 H new ATOM 0 HG LEU A 21 3.260 -5.889 2.773 1.00 21.53 H new ATOM 0 HD11 LEU A 21 3.325 -6.019 0.315 1.00 62.11 H new ATOM 0 HD12 LEU A 21 2.722 -7.525 1.047 1.00 62.11 H new ATOM 0 HD13 LEU A 21 1.583 -6.384 0.294 1.00 62.11 H new ATOM 0 HD21 LEU A 21 2.918 -3.849 1.398 1.00 1.02 H new ATOM 0 HD22 LEU A 21 1.161 -4.125 1.444 1.00 1.02 H new ATOM 0 HD23 LEU A 21 2.043 -3.756 2.945 1.00 1.02 H new ATOM 357 N GLU A 22 3.428 -8.946 3.002 1.00 23.35 N ATOM 358 CA GLU A 22 4.763 -9.410 3.407 1.00 24.34 C ATOM 359 C GLU A 22 5.710 -8.239 3.719 1.00 32.14 C ATOM 360 O GLU A 22 5.481 -7.110 3.294 1.00 52.32 O ATOM 361 CB GLU A 22 5.376 -10.302 2.315 1.00 62.02 C ATOM 362 CG GLU A 22 5.542 -9.612 0.965 1.00 24.42 C ATOM 363 CD GLU A 22 6.302 -10.468 -0.040 1.00 44.14 C ATOM 364 OE1 GLU A 22 5.705 -11.414 -0.598 1.00 61.41 O ATOM 365 OE2 GLU A 22 7.500 -10.207 -0.266 1.00 54.10 O ATOM 0 H GLU A 22 3.185 -9.167 2.036 1.00 23.35 H new ATOM 0 HA GLU A 22 4.639 -9.990 4.321 1.00 24.34 H new ATOM 0 HB2 GLU A 22 6.351 -10.653 2.653 1.00 62.02 H new ATOM 0 HB3 GLU A 22 4.747 -11.183 2.185 1.00 62.02 H new ATOM 0 HG2 GLU A 22 4.559 -9.370 0.561 1.00 24.42 H new ATOM 0 HG3 GLU A 22 6.069 -8.669 1.106 1.00 24.42 H new ATOM 372 N SER A 23 6.787 -8.530 4.448 1.00 55.22 N ATOM 373 CA SER A 23 7.722 -7.495 4.916 1.00 3.50 C ATOM 374 C SER A 23 8.411 -6.759 3.760 1.00 54.11 C ATOM 375 O SER A 23 8.497 -5.530 3.763 1.00 53.33 O ATOM 376 CB SER A 23 8.794 -8.118 5.819 1.00 40.42 C ATOM 377 OG SER A 23 9.562 -9.083 5.113 1.00 21.10 O ATOM 0 H SER A 23 7.038 -9.477 4.731 1.00 55.22 H new ATOM 0 HA SER A 23 7.131 -6.768 5.473 1.00 3.50 H new ATOM 0 HB2 SER A 23 9.450 -7.336 6.202 1.00 40.42 H new ATOM 0 HB3 SER A 23 8.320 -8.587 6.681 1.00 40.42 H new ATOM 0 HG SER A 23 10.239 -9.463 5.711 1.00 21.10 H new ATOM 383 N LYS A 24 8.892 -7.507 2.766 1.00 44.41 N ATOM 384 CA LYS A 24 9.652 -6.913 1.662 1.00 25.04 C ATOM 385 C LYS A 24 8.761 -6.058 0.746 1.00 13.04 C ATOM 386 O LYS A 24 9.203 -5.046 0.199 1.00 71.14 O ATOM 387 CB LYS A 24 10.377 -7.998 0.861 1.00 11.40 C ATOM 388 CG LYS A 24 11.402 -7.433 -0.127 1.00 41.03 C ATOM 389 CD LYS A 24 12.645 -8.313 -0.228 1.00 52.41 C ATOM 390 CE LYS A 24 13.322 -8.492 1.132 1.00 22.42 C ATOM 391 NZ LYS A 24 13.660 -7.188 1.772 1.00 45.33 N ATOM 0 H LYS A 24 8.771 -8.518 2.701 1.00 44.41 H new ATOM 0 HA LYS A 24 10.397 -6.248 2.098 1.00 25.04 H new ATOM 0 HB2 LYS A 24 10.881 -8.674 1.551 1.00 11.40 H new ATOM 0 HB3 LYS A 24 9.642 -8.589 0.314 1.00 11.40 H new ATOM 0 HG2 LYS A 24 10.943 -7.339 -1.111 1.00 41.03 H new ATOM 0 HG3 LYS A 24 11.692 -6.430 0.186 1.00 41.03 H new ATOM 0 HD2 LYS A 24 12.369 -9.288 -0.629 1.00 52.41 H new ATOM 0 HD3 LYS A 24 13.350 -7.868 -0.930 1.00 52.41 H new ATOM 0 HE2 LYS A 24 12.664 -9.058 1.791 1.00 22.42 H new ATOM 0 HE3 LYS A 24 14.231 -9.080 1.008 1.00 22.42 H new ATOM 0 HZ1 LYS A 24 14.304 -7.351 2.572 1.00 45.33 H new ATOM 0 HZ2 LYS A 24 14.122 -6.569 1.076 1.00 45.33 H new ATOM 0 HZ3 LYS A 24 12.790 -6.734 2.115 1.00 45.33 H new ATOM 405 N GLY A 25 7.511 -6.465 0.576 1.00 52.41 N ATOM 406 CA GLY A 25 6.543 -5.625 -0.113 1.00 24.32 C ATOM 407 C GLY A 25 6.169 -4.398 0.716 1.00 74.53 C ATOM 408 O GLY A 25 6.197 -3.268 0.231 1.00 12.14 O ATOM 0 H GLY A 25 7.147 -7.361 0.901 1.00 52.41 H new ATOM 0 HA2 GLY A 25 6.955 -5.306 -1.070 1.00 24.32 H new ATOM 0 HA3 GLY A 25 5.646 -6.205 -0.329 1.00 24.32 H new ATOM 412 N LEU A 26 5.860 -4.637 1.989 1.00 51.33 N ATOM 413 CA LEU A 26 5.458 -3.582 2.927 1.00 3.41 C ATOM 414 C LEU A 26 6.496 -2.450 3.004 1.00 31.33 C ATOM 415 O LEU A 26 6.142 -1.266 2.979 1.00 74.04 O ATOM 416 CB LEU A 26 5.238 -4.199 4.315 1.00 43.44 C ATOM 417 CG LEU A 26 4.779 -3.232 5.418 1.00 43.01 C ATOM 418 CD1 LEU A 26 3.461 -2.557 5.039 1.00 34.43 C ATOM 419 CD2 LEU A 26 4.645 -3.977 6.744 1.00 61.23 C ATOM 0 H LEU A 26 5.880 -5.569 2.403 1.00 51.33 H new ATOM 0 HA LEU A 26 4.531 -3.139 2.564 1.00 3.41 H new ATOM 0 HB2 LEU A 26 4.497 -4.993 4.224 1.00 43.44 H new ATOM 0 HB3 LEU A 26 6.169 -4.667 4.634 1.00 43.44 H new ATOM 0 HG LEU A 26 5.532 -2.452 5.530 1.00 43.01 H new ATOM 0 HD11 LEU A 26 3.158 -1.878 5.836 1.00 34.43 H new ATOM 0 HD12 LEU A 26 3.593 -1.996 4.114 1.00 34.43 H new ATOM 0 HD13 LEU A 26 2.691 -3.316 4.897 1.00 34.43 H new ATOM 0 HD21 LEU A 26 4.319 -3.284 7.520 1.00 61.23 H new ATOM 0 HD22 LEU A 26 3.911 -4.776 6.640 1.00 61.23 H new ATOM 0 HD23 LEU A 26 5.609 -4.404 7.021 1.00 61.23 H new ATOM 431 N GLU A 27 7.774 -2.809 3.094 1.00 10.24 N ATOM 432 CA GLU A 27 8.842 -1.808 3.149 1.00 22.41 C ATOM 433 C GLU A 27 8.884 -0.969 1.858 1.00 44.41 C ATOM 434 O GLU A 27 9.221 0.214 1.892 1.00 52.11 O ATOM 435 CB GLU A 27 10.207 -2.466 3.409 1.00 54.42 C ATOM 436 CG GLU A 27 10.691 -3.388 2.297 1.00 54.14 C ATOM 437 CD GLU A 27 12.054 -3.997 2.594 1.00 73.10 C ATOM 438 OE1 GLU A 27 13.069 -3.279 2.460 1.00 33.35 O ATOM 439 OE2 GLU A 27 12.119 -5.188 2.974 1.00 53.52 O ATOM 0 H GLU A 27 8.096 -3.776 3.130 1.00 10.24 H new ATOM 0 HA GLU A 27 8.623 -1.140 3.982 1.00 22.41 H new ATOM 0 HB2 GLU A 27 10.949 -1.683 3.562 1.00 54.42 H new ATOM 0 HB3 GLU A 27 10.150 -3.036 4.336 1.00 54.42 H new ATOM 0 HG2 GLU A 27 9.964 -4.187 2.150 1.00 54.14 H new ATOM 0 HG3 GLU A 27 10.743 -2.829 1.363 1.00 54.14 H new ATOM 446 N ALA A 28 8.508 -1.572 0.727 1.00 33.45 N ATOM 447 CA ALA A 28 8.474 -0.853 -0.552 1.00 52.54 C ATOM 448 C ALA A 28 7.428 0.271 -0.523 1.00 55.01 C ATOM 449 O ALA A 28 7.645 1.357 -1.073 1.00 32.31 O ATOM 450 CB ALA A 28 8.187 -1.815 -1.697 1.00 22.24 C ATOM 0 H ALA A 28 8.224 -2.550 0.669 1.00 33.45 H new ATOM 0 HA ALA A 28 9.453 -0.402 -0.712 1.00 52.54 H new ATOM 0 HB1 ALA A 28 8.165 -1.265 -2.638 1.00 22.24 H new ATOM 0 HB2 ALA A 28 8.968 -2.574 -1.739 1.00 22.24 H new ATOM 0 HB3 ALA A 28 7.222 -2.295 -1.535 1.00 22.24 H new ATOM 456 N LEU A 29 6.294 0.004 0.130 1.00 1.13 N ATOM 457 CA LEU A 29 5.265 1.030 0.348 1.00 1.32 C ATOM 458 C LEU A 29 5.818 2.181 1.203 1.00 42.13 C ATOM 459 O LEU A 29 5.707 3.350 0.832 1.00 34.45 O ATOM 460 CB LEU A 29 4.016 0.424 1.024 1.00 52.42 C ATOM 461 CG LEU A 29 3.057 -0.358 0.103 1.00 20.32 C ATOM 462 CD1 LEU A 29 2.469 0.555 -0.969 1.00 33.01 C ATOM 463 CD2 LEU A 29 3.755 -1.557 -0.532 1.00 64.53 C ATOM 0 H LEU A 29 6.063 -0.911 0.517 1.00 1.13 H new ATOM 0 HA LEU A 29 4.976 1.424 -0.626 1.00 1.32 H new ATOM 0 HB2 LEU A 29 4.347 -0.243 1.820 1.00 52.42 H new ATOM 0 HB3 LEU A 29 3.456 1.231 1.496 1.00 52.42 H new ATOM 0 HG LEU A 29 2.239 -0.734 0.718 1.00 20.32 H new ATOM 0 HD11 LEU A 29 1.796 -0.019 -1.606 1.00 33.01 H new ATOM 0 HD12 LEU A 29 1.916 1.365 -0.494 1.00 33.01 H new ATOM 0 HD13 LEU A 29 3.274 0.972 -1.574 1.00 33.01 H new ATOM 0 HD21 LEU A 29 3.053 -2.088 -1.175 1.00 64.53 H new ATOM 0 HD22 LEU A 29 4.602 -1.213 -1.125 1.00 64.53 H new ATOM 0 HD23 LEU A 29 4.109 -2.228 0.250 1.00 64.53 H new ATOM 475 N ASN A 30 6.429 1.837 2.338 1.00 24.24 N ATOM 476 CA ASN A 30 7.040 2.833 3.233 1.00 73.15 C ATOM 477 C ASN A 30 8.116 3.666 2.512 1.00 35.34 C ATOM 478 O ASN A 30 8.254 4.866 2.760 1.00 21.42 O ATOM 479 CB ASN A 30 7.629 2.145 4.470 1.00 73.21 C ATOM 480 CG ASN A 30 6.550 1.634 5.405 1.00 44.32 C ATOM 481 OD1 ASN A 30 6.136 2.325 6.327 1.00 60.15 O ATOM 482 ND2 ASN A 30 6.079 0.427 5.176 1.00 32.22 N ATOM 0 H ASN A 30 6.516 0.874 2.664 1.00 24.24 H new ATOM 0 HA ASN A 30 6.255 3.520 3.550 1.00 73.15 H new ATOM 0 HB2 ASN A 30 8.260 1.313 4.156 1.00 73.21 H new ATOM 0 HB3 ASN A 30 8.269 2.847 5.005 1.00 73.21 H new ATOM 0 HD21 ASN A 30 5.348 0.043 5.775 1.00 32.22 H new ATOM 0 HD22 ASN A 30 6.445 -0.124 4.400 1.00 32.22 H new ATOM 489 N LYS A 31 8.873 3.026 1.623 1.00 71.42 N ATOM 490 CA LYS A 31 9.826 3.740 0.761 1.00 14.11 C ATOM 491 C LYS A 31 9.103 4.778 -0.111 1.00 35.30 C ATOM 492 O LYS A 31 9.487 5.947 -0.161 1.00 51.30 O ATOM 493 CB LYS A 31 10.589 2.750 -0.138 1.00 5.00 C ATOM 494 CG LYS A 31 11.960 2.334 0.392 1.00 71.13 C ATOM 495 CD LYS A 31 11.891 1.680 1.768 1.00 63.33 C ATOM 496 CE LYS A 31 13.257 1.181 2.221 1.00 73.44 C ATOM 497 NZ LYS A 31 14.270 2.274 2.245 1.00 71.43 N ATOM 0 H LYS A 31 8.849 2.017 1.477 1.00 71.42 H new ATOM 0 HA LYS A 31 10.537 4.257 1.406 1.00 14.11 H new ATOM 0 HB2 LYS A 31 9.979 1.856 -0.271 1.00 5.00 H new ATOM 0 HB3 LYS A 31 10.716 3.198 -1.123 1.00 5.00 H new ATOM 0 HG2 LYS A 31 12.421 1.641 -0.312 1.00 71.13 H new ATOM 0 HG3 LYS A 31 12.605 3.211 0.444 1.00 71.13 H new ATOM 0 HD2 LYS A 31 11.506 2.397 2.493 1.00 63.33 H new ATOM 0 HD3 LYS A 31 11.189 0.846 1.740 1.00 63.33 H new ATOM 0 HE2 LYS A 31 13.172 0.744 3.216 1.00 73.44 H new ATOM 0 HE3 LYS A 31 13.594 0.389 1.552 1.00 73.44 H new ATOM 0 HZ1 LYS A 31 15.140 1.931 2.700 1.00 71.43 H new ATOM 0 HZ2 LYS A 31 14.483 2.571 1.271 1.00 71.43 H new ATOM 0 HZ3 LYS A 31 13.895 3.083 2.780 1.00 71.43 H new ATOM 511 N ALA A 32 8.056 4.334 -0.804 1.00 22.34 N ATOM 512 CA ALA A 32 7.282 5.210 -1.689 1.00 33.31 C ATOM 513 C ALA A 32 6.590 6.346 -0.916 1.00 55.21 C ATOM 514 O ALA A 32 6.430 7.449 -1.434 1.00 4.53 O ATOM 515 CB ALA A 32 6.266 4.390 -2.471 1.00 23.00 C ATOM 0 H ALA A 32 7.722 3.371 -0.771 1.00 22.34 H new ATOM 0 HA ALA A 32 7.976 5.679 -2.386 1.00 33.31 H new ATOM 0 HB1 ALA A 32 5.695 5.047 -3.126 1.00 23.00 H new ATOM 0 HB2 ALA A 32 6.786 3.643 -3.070 1.00 23.00 H new ATOM 0 HB3 ALA A 32 5.589 3.892 -1.777 1.00 23.00 H new ATOM 521 N ILE A 33 6.181 6.067 0.321 1.00 51.41 N ATOM 522 CA ILE A 33 5.578 7.089 1.188 1.00 54.30 C ATOM 523 C ILE A 33 6.583 8.207 1.501 1.00 0.51 C ATOM 524 O ILE A 33 6.300 9.386 1.292 1.00 25.02 O ATOM 525 CB ILE A 33 5.055 6.463 2.509 1.00 43.22 C ATOM 526 CG1 ILE A 33 3.873 5.520 2.214 1.00 23.12 C ATOM 527 CG2 ILE A 33 4.648 7.549 3.508 1.00 15.51 C ATOM 528 CD1 ILE A 33 3.310 4.828 3.436 1.00 63.25 C ATOM 0 H ILE A 33 6.254 5.144 0.749 1.00 51.41 H new ATOM 0 HA ILE A 33 4.734 7.519 0.649 1.00 54.30 H new ATOM 0 HB ILE A 33 5.861 5.884 2.960 1.00 43.22 H new ATOM 0 HG12 ILE A 33 3.078 6.092 1.736 1.00 23.12 H new ATOM 0 HG13 ILE A 33 4.196 4.764 1.499 1.00 23.12 H new ATOM 0 HG21 ILE A 33 4.285 7.083 4.424 1.00 15.51 H new ATOM 0 HG22 ILE A 33 5.510 8.175 3.736 1.00 15.51 H new ATOM 0 HG23 ILE A 33 3.858 8.163 3.076 1.00 15.51 H new ATOM 0 HD11 ILE A 33 2.482 4.184 3.140 1.00 63.25 H new ATOM 0 HD12 ILE A 33 4.089 4.226 3.905 1.00 63.25 H new ATOM 0 HD13 ILE A 33 2.953 5.575 4.145 1.00 63.25 H new ATOM 540 N VAL A 34 7.767 7.824 1.978 1.00 25.40 N ATOM 541 CA VAL A 34 8.840 8.788 2.251 1.00 24.25 C ATOM 542 C VAL A 34 9.298 9.478 0.952 1.00 52.14 C ATOM 543 O VAL A 34 9.760 10.618 0.960 1.00 3.13 O ATOM 544 CB VAL A 34 10.051 8.094 2.931 1.00 11.25 C ATOM 545 CG1 VAL A 34 11.170 9.090 3.234 1.00 54.41 C ATOM 546 CG2 VAL A 34 9.607 7.376 4.208 1.00 64.12 C ATOM 0 H VAL A 34 8.010 6.855 2.184 1.00 25.40 H new ATOM 0 HA VAL A 34 8.442 9.542 2.930 1.00 24.25 H new ATOM 0 HB VAL A 34 10.447 7.356 2.234 1.00 11.25 H new ATOM 0 HG11 VAL A 34 12.001 8.570 3.710 1.00 54.41 H new ATOM 0 HG12 VAL A 34 11.512 9.547 2.305 1.00 54.41 H new ATOM 0 HG13 VAL A 34 10.796 9.865 3.904 1.00 54.41 H new ATOM 0 HG21 VAL A 34 10.467 6.895 4.673 1.00 64.12 H new ATOM 0 HG22 VAL A 34 9.177 8.099 4.901 1.00 64.12 H new ATOM 0 HG23 VAL A 34 8.859 6.622 3.960 1.00 64.12 H new ATOM 556 N SER A 35 9.146 8.775 -0.170 1.00 2.53 N ATOM 557 CA SER A 35 9.490 9.324 -1.490 1.00 0.35 C ATOM 558 C SER A 35 8.340 10.159 -2.083 1.00 44.10 C ATOM 559 O SER A 35 8.520 10.836 -3.095 1.00 41.22 O ATOM 560 CB SER A 35 9.853 8.194 -2.462 1.00 33.31 C ATOM 561 OG SER A 35 10.216 8.699 -3.741 1.00 52.52 O ATOM 0 H SER A 35 8.786 7.821 -0.195 1.00 2.53 H new ATOM 0 HA SER A 35 10.349 9.980 -1.350 1.00 0.35 H new ATOM 0 HB2 SER A 35 10.679 7.612 -2.052 1.00 33.31 H new ATOM 0 HB3 SER A 35 9.006 7.516 -2.565 1.00 33.31 H new ATOM 0 HG SER A 35 9.676 9.491 -3.945 1.00 52.52 H new ATOM 567 N GLY A 36 7.162 10.097 -1.456 1.00 30.01 N ATOM 568 CA GLY A 36 6.006 10.871 -1.917 1.00 2.44 C ATOM 569 C GLY A 36 5.436 10.394 -3.256 1.00 74.31 C ATOM 570 O GLY A 36 5.224 11.193 -4.168 1.00 64.12 O ATOM 0 H GLY A 36 6.984 9.522 -0.632 1.00 30.01 H new ATOM 0 HA2 GLY A 36 5.222 10.821 -1.161 1.00 2.44 H new ATOM 0 HA3 GLY A 36 6.295 11.918 -2.008 1.00 2.44 H new ATOM 574 N THR A 37 5.179 9.091 -3.370 1.00 3.20 N ATOM 575 CA THR A 37 4.597 8.515 -4.599 1.00 22.52 C ATOM 576 C THR A 37 3.711 7.291 -4.291 1.00 64.14 C ATOM 577 O THR A 37 3.903 6.206 -4.842 1.00 43.01 O ATOM 578 CB THR A 37 5.698 8.134 -5.628 1.00 64.23 C ATOM 579 OG1 THR A 37 5.115 7.524 -6.798 1.00 45.41 O ATOM 580 CG2 THR A 37 6.734 7.193 -5.019 1.00 13.11 C ATOM 0 H THR A 37 5.361 8.410 -2.633 1.00 3.20 H new ATOM 0 HA THR A 37 3.968 9.288 -5.040 1.00 22.52 H new ATOM 0 HB THR A 37 6.202 9.056 -5.918 1.00 64.23 H new ATOM 0 HG1 THR A 37 4.600 6.734 -6.533 1.00 45.41 H new ATOM 0 HG21 THR A 37 7.488 6.948 -5.767 1.00 13.11 H new ATOM 0 HG22 THR A 37 7.212 7.679 -4.168 1.00 13.11 H new ATOM 0 HG23 THR A 37 6.243 6.278 -4.686 1.00 13.11 H new ATOM 588 N VAL A 38 2.745 7.473 -3.392 1.00 11.02 N ATOM 589 CA VAL A 38 1.771 6.422 -3.059 1.00 33.31 C ATOM 590 C VAL A 38 0.337 6.886 -3.344 1.00 3.53 C ATOM 591 O VAL A 38 -0.283 7.562 -2.518 1.00 31.23 O ATOM 592 CB VAL A 38 1.874 5.989 -1.573 1.00 33.13 C ATOM 593 CG1 VAL A 38 0.841 4.913 -1.243 1.00 62.33 C ATOM 594 CG2 VAL A 38 3.280 5.501 -1.251 1.00 42.24 C ATOM 0 H VAL A 38 2.612 8.342 -2.876 1.00 11.02 H new ATOM 0 HA VAL A 38 2.010 5.567 -3.691 1.00 33.31 H new ATOM 0 HB VAL A 38 1.663 6.860 -0.953 1.00 33.13 H new ATOM 0 HG11 VAL A 38 0.935 4.628 -0.195 1.00 62.33 H new ATOM 0 HG12 VAL A 38 -0.161 5.302 -1.425 1.00 62.33 H new ATOM 0 HG13 VAL A 38 1.011 4.040 -1.873 1.00 62.33 H new ATOM 0 HG21 VAL A 38 3.331 5.202 -0.204 1.00 42.24 H new ATOM 0 HG22 VAL A 38 3.523 4.648 -1.884 1.00 42.24 H new ATOM 0 HG23 VAL A 38 3.995 6.303 -1.434 1.00 42.24 H new ATOM 604 N GLN A 39 -0.180 6.530 -4.516 1.00 1.14 N ATOM 605 CA GLN A 39 -1.538 6.913 -4.913 1.00 4.12 C ATOM 606 C GLN A 39 -2.577 5.890 -4.428 1.00 5.11 C ATOM 607 O GLN A 39 -2.493 4.699 -4.750 1.00 22.20 O ATOM 608 CB GLN A 39 -1.646 7.062 -6.443 1.00 54.12 C ATOM 609 CG GLN A 39 -0.749 8.147 -7.052 1.00 44.22 C ATOM 610 CD GLN A 39 0.687 7.698 -7.302 1.00 63.34 C ATOM 611 OE1 GLN A 39 1.229 6.855 -6.598 1.00 70.11 O ATOM 612 NE2 GLN A 39 1.314 8.254 -8.316 1.00 52.12 N ATOM 0 H GLN A 39 0.319 5.976 -5.211 1.00 1.14 H new ATOM 0 HA GLN A 39 -1.747 7.874 -4.443 1.00 4.12 H new ATOM 0 HB2 GLN A 39 -1.399 6.106 -6.905 1.00 54.12 H new ATOM 0 HB3 GLN A 39 -2.682 7.282 -6.700 1.00 54.12 H new ATOM 0 HG2 GLN A 39 -1.185 8.477 -7.995 1.00 44.22 H new ATOM 0 HG3 GLN A 39 -0.738 9.010 -6.387 1.00 44.22 H new ATOM 0 HE21 GLN A 39 0.840 8.954 -8.887 1.00 52.12 H new ATOM 0 HE22 GLN A 39 2.274 7.985 -8.531 1.00 52.12 H new ATOM 621 N ARG A 40 -3.553 6.360 -3.654 1.00 41.01 N ATOM 622 CA ARG A 40 -4.678 5.518 -3.225 1.00 21.32 C ATOM 623 C ARG A 40 -5.762 5.483 -4.317 1.00 42.23 C ATOM 624 O ARG A 40 -5.744 6.301 -5.233 1.00 42.42 O ATOM 625 CB ARG A 40 -5.288 6.066 -1.925 1.00 13.14 C ATOM 626 CG ARG A 40 -4.275 6.301 -0.807 1.00 43.24 C ATOM 627 CD ARG A 40 -4.946 6.834 0.457 1.00 74.25 C ATOM 628 NE ARG A 40 -5.719 8.050 0.204 1.00 15.24 N ATOM 629 CZ ARG A 40 -6.686 8.477 0.973 1.00 55.42 C ATOM 630 NH1 ARG A 40 -7.013 7.827 2.045 1.00 22.34 N ATOM 631 NH2 ARG A 40 -7.332 9.553 0.657 1.00 72.45 N ATOM 0 H ARG A 40 -3.591 7.319 -3.309 1.00 41.01 H new ATOM 0 HA ARG A 40 -4.305 4.509 -3.052 1.00 21.32 H new ATOM 0 HB2 ARG A 40 -5.795 7.006 -2.143 1.00 13.14 H new ATOM 0 HB3 ARG A 40 -6.047 5.368 -1.571 1.00 13.14 H new ATOM 0 HG2 ARG A 40 -3.760 5.368 -0.580 1.00 43.24 H new ATOM 0 HG3 ARG A 40 -3.518 7.009 -1.144 1.00 43.24 H new ATOM 0 HD2 ARG A 40 -5.603 6.067 0.868 1.00 74.25 H new ATOM 0 HD3 ARG A 40 -4.186 7.040 1.210 1.00 74.25 H new ATOM 0 HE ARG A 40 -5.489 8.599 -0.624 1.00 15.24 H new ATOM 0 HH11 ARG A 40 -6.514 6.973 2.296 1.00 22.34 H new ATOM 0 HH12 ARG A 40 -7.769 8.169 2.638 1.00 22.34 H new ATOM 0 HH21 ARG A 40 -7.086 10.065 -0.190 1.00 72.45 H new ATOM 0 HH22 ARG A 40 -8.087 9.889 1.255 1.00 72.45 H new ATOM 645 N ALA A 41 -6.713 4.555 -4.210 1.00 64.24 N ATOM 646 CA ALA A 41 -7.834 4.499 -5.158 1.00 21.10 C ATOM 647 C ALA A 41 -8.609 5.825 -5.161 1.00 64.12 C ATOM 648 O ALA A 41 -9.109 6.270 -6.197 1.00 10.03 O ATOM 649 CB ALA A 41 -8.758 3.338 -4.821 1.00 51.34 C ATOM 0 H ALA A 41 -6.734 3.837 -3.486 1.00 64.24 H new ATOM 0 HA ALA A 41 -7.431 4.339 -6.158 1.00 21.10 H new ATOM 0 HB1 ALA A 41 -9.583 3.311 -5.533 1.00 51.34 H new ATOM 0 HB2 ALA A 41 -8.201 2.402 -4.875 1.00 51.34 H new ATOM 0 HB3 ALA A 41 -9.153 3.468 -3.813 1.00 51.34 H new ATOM 655 N ASP A 42 -8.706 6.441 -3.982 1.00 62.52 N ATOM 656 CA ASP A 42 -9.221 7.808 -3.849 1.00 43.23 C ATOM 657 C ASP A 42 -8.488 8.768 -4.801 1.00 3.52 C ATOM 658 O ASP A 42 -9.112 9.588 -5.481 1.00 33.25 O ATOM 659 CB ASP A 42 -9.056 8.273 -2.394 1.00 43.33 C ATOM 660 CG ASP A 42 -9.238 9.772 -2.233 1.00 34.25 C ATOM 661 OD1 ASP A 42 -10.393 10.238 -2.167 1.00 11.22 O ATOM 662 OD2 ASP A 42 -8.219 10.494 -2.178 1.00 72.21 O ATOM 0 H ASP A 42 -8.433 6.012 -3.098 1.00 62.52 H new ATOM 0 HA ASP A 42 -10.277 7.814 -4.117 1.00 43.23 H new ATOM 0 HB2 ASP A 42 -9.781 7.754 -1.767 1.00 43.33 H new ATOM 0 HB3 ASP A 42 -8.065 7.991 -2.037 1.00 43.33 H new ATOM 667 N GLY A 43 -7.164 8.644 -4.851 1.00 0.20 N ATOM 668 CA GLY A 43 -6.350 9.510 -5.693 1.00 12.12 C ATOM 669 C GLY A 43 -5.248 10.226 -4.922 1.00 55.10 C ATOM 670 O GLY A 43 -4.154 10.440 -5.446 1.00 5.03 O ATOM 0 H GLY A 43 -6.635 7.953 -4.319 1.00 0.20 H new ATOM 0 HA2 GLY A 43 -5.902 8.916 -6.489 1.00 12.12 H new ATOM 0 HA3 GLY A 43 -6.992 10.251 -6.171 1.00 12.12 H new ATOM 674 N SER A 44 -5.530 10.603 -3.673 1.00 21.21 N ATOM 675 CA SER A 44 -4.554 11.332 -2.844 1.00 15.22 C ATOM 676 C SER A 44 -3.350 10.460 -2.467 1.00 11.25 C ATOM 677 O SER A 44 -3.408 9.225 -2.513 1.00 63.41 O ATOM 678 CB SER A 44 -5.213 11.864 -1.564 1.00 3.41 C ATOM 679 OG SER A 44 -5.544 10.808 -0.675 1.00 22.44 O ATOM 0 H SER A 44 -6.420 10.419 -3.211 1.00 21.21 H new ATOM 0 HA SER A 44 -4.197 12.167 -3.447 1.00 15.22 H new ATOM 0 HB2 SER A 44 -4.538 12.561 -1.068 1.00 3.41 H new ATOM 0 HB3 SER A 44 -6.114 12.421 -1.821 1.00 3.41 H new ATOM 0 HG SER A 44 -5.346 11.081 0.245 1.00 22.44 H new ATOM 685 N ILE A 45 -2.256 11.116 -2.081 1.00 23.23 N ATOM 686 CA ILE A 45 -1.028 10.422 -1.688 1.00 42.02 C ATOM 687 C ILE A 45 -1.049 10.048 -0.194 1.00 13.23 C ATOM 688 O ILE A 45 -1.518 10.819 0.642 1.00 4.31 O ATOM 689 CB ILE A 45 0.220 11.301 -1.977 1.00 51.21 C ATOM 690 CG1 ILE A 45 0.267 11.712 -3.462 1.00 72.44 C ATOM 691 CG2 ILE A 45 1.506 10.571 -1.580 1.00 13.52 C ATOM 692 CD1 ILE A 45 0.398 10.545 -4.417 1.00 4.23 C ATOM 0 H ILE A 45 -2.195 12.133 -2.032 1.00 23.23 H new ATOM 0 HA ILE A 45 -0.972 9.508 -2.279 1.00 42.02 H new ATOM 0 HB ILE A 45 0.142 12.205 -1.373 1.00 51.21 H new ATOM 0 HG12 ILE A 45 -0.639 12.267 -3.704 1.00 72.44 H new ATOM 0 HG13 ILE A 45 1.107 12.390 -3.615 1.00 72.44 H new ATOM 0 HG21 ILE A 45 2.366 11.207 -1.792 1.00 13.52 H new ATOM 0 HG22 ILE A 45 1.479 10.340 -0.515 1.00 13.52 H new ATOM 0 HG23 ILE A 45 1.590 9.646 -2.150 1.00 13.52 H new ATOM 0 HD11 ILE A 45 0.424 10.915 -5.442 1.00 4.23 H new ATOM 0 HD12 ILE A 45 1.318 10.002 -4.203 1.00 4.23 H new ATOM 0 HD13 ILE A 45 -0.454 9.877 -4.294 1.00 4.23 H new ATOM 704 N GLN A 46 -0.549 8.857 0.134 1.00 23.43 N ATOM 705 CA GLN A 46 -0.450 8.420 1.533 1.00 23.51 C ATOM 706 C GLN A 46 0.823 8.976 2.198 1.00 54.30 C ATOM 707 O GLN A 46 1.932 8.541 1.891 1.00 44.05 O ATOM 708 CB GLN A 46 -0.466 6.885 1.610 1.00 50.25 C ATOM 709 CG GLN A 46 -0.428 6.324 3.032 1.00 73.42 C ATOM 710 CD GLN A 46 -1.574 6.824 3.898 1.00 13.41 C ATOM 711 OE1 GLN A 46 -1.451 7.827 4.590 1.00 32.41 O ATOM 712 NE2 GLN A 46 -2.698 6.135 3.854 1.00 52.22 N ATOM 0 H GLN A 46 -0.206 8.177 -0.545 1.00 23.43 H new ATOM 0 HA GLN A 46 -1.311 8.811 2.074 1.00 23.51 H new ATOM 0 HB2 GLN A 46 -1.363 6.518 1.111 1.00 50.25 H new ATOM 0 HB3 GLN A 46 0.389 6.497 1.056 1.00 50.25 H new ATOM 0 HG2 GLN A 46 -0.461 5.235 2.988 1.00 73.42 H new ATOM 0 HG3 GLN A 46 0.519 6.596 3.499 1.00 73.42 H new ATOM 0 HE21 GLN A 46 -2.764 5.304 3.266 1.00 52.22 H new ATOM 0 HE22 GLN A 46 -3.501 6.433 4.408 1.00 52.22 H new ATOM 721 N ASN A 47 0.652 9.939 3.107 1.00 0.24 N ATOM 722 CA ASN A 47 1.787 10.599 3.773 1.00 54.31 C ATOM 723 C ASN A 47 2.267 9.839 5.022 1.00 75.21 C ATOM 724 O ASN A 47 3.427 9.962 5.422 1.00 51.12 O ATOM 725 CB ASN A 47 1.412 12.034 4.167 1.00 41.02 C ATOM 726 CG ASN A 47 1.115 12.908 2.964 1.00 51.00 C ATOM 727 OD1 ASN A 47 -0.023 13.015 2.521 1.00 33.55 O ATOM 728 ND2 ASN A 47 2.136 13.552 2.432 1.00 22.03 N ATOM 0 H ASN A 47 -0.262 10.282 3.402 1.00 0.24 H new ATOM 0 HA ASN A 47 2.607 10.607 3.055 1.00 54.31 H new ATOM 0 HB2 ASN A 47 0.540 12.012 4.820 1.00 41.02 H new ATOM 0 HB3 ASN A 47 2.228 12.475 4.740 1.00 41.02 H new ATOM 0 HD21 ASN A 47 1.991 14.162 1.627 1.00 22.03 H new ATOM 0 HD22 ASN A 47 3.070 13.440 2.826 1.00 22.03 H new ATOM 735 N GLN A 48 1.378 9.067 5.644 1.00 24.21 N ATOM 736 CA GLN A 48 1.721 8.347 6.877 1.00 20.44 C ATOM 737 C GLN A 48 2.382 6.989 6.582 1.00 50.14 C ATOM 738 O GLN A 48 1.771 6.107 5.977 1.00 15.14 O ATOM 739 CB GLN A 48 0.473 8.147 7.747 1.00 2.15 C ATOM 740 CG GLN A 48 -0.124 9.448 8.274 1.00 63.52 C ATOM 741 CD GLN A 48 -1.298 9.222 9.211 1.00 20.44 C ATOM 742 OE1 GLN A 48 -1.128 9.087 10.421 1.00 52.04 O ATOM 743 NE2 GLN A 48 -2.496 9.179 8.668 1.00 40.43 N ATOM 0 H GLN A 48 0.421 8.922 5.321 1.00 24.21 H new ATOM 0 HA GLN A 48 2.443 8.958 7.420 1.00 20.44 H new ATOM 0 HB2 GLN A 48 -0.283 7.620 7.165 1.00 2.15 H new ATOM 0 HB3 GLN A 48 0.729 7.507 8.591 1.00 2.15 H new ATOM 0 HG2 GLN A 48 0.649 10.011 8.797 1.00 63.52 H new ATOM 0 HG3 GLN A 48 -0.450 10.060 7.433 1.00 63.52 H new ATOM 0 HE21 GLN A 48 -2.604 9.295 7.660 1.00 40.43 H new ATOM 0 HE22 GLN A 48 -3.317 9.030 9.255 1.00 40.43 H new ATOM 752 N SER A 49 3.634 6.833 7.021 1.00 34.13 N ATOM 753 CA SER A 49 4.383 5.580 6.839 1.00 41.15 C ATOM 754 C SER A 49 3.686 4.396 7.523 1.00 53.11 C ATOM 755 O SER A 49 3.793 4.216 8.738 1.00 13.53 O ATOM 756 CB SER A 49 5.809 5.722 7.393 1.00 74.11 C ATOM 757 OG SER A 49 5.804 6.000 8.790 1.00 21.22 O ATOM 0 H SER A 49 4.155 7.562 7.508 1.00 34.13 H new ATOM 0 HA SER A 49 4.423 5.381 5.768 1.00 41.15 H new ATOM 0 HB2 SER A 49 6.366 4.804 7.206 1.00 74.11 H new ATOM 0 HB3 SER A 49 6.327 6.522 6.864 1.00 74.11 H new ATOM 0 HG SER A 49 5.124 5.449 9.231 1.00 21.22 H new ATOM 763 N LEU A 50 2.969 3.593 6.744 1.00 73.14 N ATOM 764 CA LEU A 50 2.263 2.430 7.285 1.00 35.34 C ATOM 765 C LEU A 50 3.155 1.171 7.324 1.00 40.42 C ATOM 766 O LEU A 50 3.506 0.594 6.297 1.00 61.41 O ATOM 767 CB LEU A 50 0.943 2.175 6.516 1.00 25.31 C ATOM 768 CG LEU A 50 0.950 2.469 4.995 1.00 45.45 C ATOM 769 CD1 LEU A 50 1.728 1.416 4.209 1.00 44.42 C ATOM 770 CD2 LEU A 50 -0.478 2.588 4.463 1.00 61.43 C ATOM 0 H LEU A 50 2.860 3.723 5.738 1.00 73.14 H new ATOM 0 HA LEU A 50 2.007 2.659 8.320 1.00 35.34 H new ATOM 0 HB2 LEU A 50 0.664 1.131 6.658 1.00 25.31 H new ATOM 0 HB3 LEU A 50 0.161 2.780 6.975 1.00 25.31 H new ATOM 0 HG LEU A 50 1.460 3.422 4.853 1.00 45.45 H new ATOM 0 HD11 LEU A 50 1.705 1.664 3.148 1.00 44.42 H new ATOM 0 HD12 LEU A 50 2.762 1.394 4.555 1.00 44.42 H new ATOM 0 HD13 LEU A 50 1.273 0.437 4.363 1.00 44.42 H new ATOM 0 HD21 LEU A 50 -0.452 2.795 3.393 1.00 61.43 H new ATOM 0 HD22 LEU A 50 -1.011 1.654 4.639 1.00 61.43 H new ATOM 0 HD23 LEU A 50 -0.991 3.401 4.977 1.00 61.43 H new ATOM 782 N HIS A 51 3.530 0.758 8.533 1.00 13.04 N ATOM 783 CA HIS A 51 4.311 -0.470 8.730 1.00 42.54 C ATOM 784 C HIS A 51 3.388 -1.660 9.029 1.00 3.34 C ATOM 785 O HIS A 51 3.805 -2.670 9.603 1.00 41.12 O ATOM 786 CB HIS A 51 5.332 -0.275 9.858 1.00 62.32 C ATOM 787 CG HIS A 51 6.395 0.728 9.524 1.00 25.15 C ATOM 788 ND1 HIS A 51 6.405 2.020 10.008 1.00 4.32 N ATOM 789 CD2 HIS A 51 7.498 0.620 8.742 1.00 74.24 C ATOM 790 CE1 HIS A 51 7.457 2.659 9.536 1.00 42.23 C ATOM 791 NE2 HIS A 51 8.136 1.835 8.769 1.00 32.50 N ATOM 0 H HIS A 51 3.307 1.255 9.396 1.00 13.04 H new ATOM 0 HA HIS A 51 4.852 -0.688 7.809 1.00 42.54 H new ATOM 0 HB2 HIS A 51 4.811 0.044 10.760 1.00 62.32 H new ATOM 0 HB3 HIS A 51 5.802 -1.232 10.083 1.00 62.32 H new ATOM 0 HD2 HIS A 51 7.815 -0.258 8.199 1.00 74.24 H new ATOM 0 HE1 HIS A 51 7.717 3.686 9.744 1.00 42.23 H new ATOM 0 HE2 HIS A 51 8.998 2.062 8.274 1.00 32.50 H new ATOM 800 N GLU A 52 2.133 -1.530 8.610 1.00 42.43 N ATOM 801 CA GLU A 52 1.138 -2.595 8.739 1.00 12.41 C ATOM 802 C GLU A 52 0.062 -2.425 7.654 1.00 34.50 C ATOM 803 O GLU A 52 -0.563 -1.364 7.550 1.00 63.25 O ATOM 804 CB GLU A 52 0.509 -2.550 10.140 1.00 72.42 C ATOM 805 CG GLU A 52 -0.451 -3.693 10.442 1.00 44.44 C ATOM 806 CD GLU A 52 -0.903 -3.691 11.895 1.00 11.32 C ATOM 807 OE1 GLU A 52 -0.180 -4.252 12.746 1.00 1.02 O ATOM 808 OE2 GLU A 52 -1.967 -3.114 12.202 1.00 31.34 O ATOM 0 H GLU A 52 1.774 -0.682 8.170 1.00 42.43 H new ATOM 0 HA GLU A 52 1.618 -3.565 8.607 1.00 12.41 H new ATOM 0 HB2 GLU A 52 1.307 -2.558 10.882 1.00 72.42 H new ATOM 0 HB3 GLU A 52 -0.024 -1.606 10.254 1.00 72.42 H new ATOM 0 HG2 GLU A 52 -1.322 -3.616 9.792 1.00 44.44 H new ATOM 0 HG3 GLU A 52 0.033 -4.643 10.215 1.00 44.44 H new ATOM 815 N ALA A 53 -0.156 -3.464 6.851 1.00 10.11 N ATOM 816 CA ALA A 53 -1.059 -3.364 5.700 1.00 71.23 C ATOM 817 C ALA A 53 -1.469 -4.739 5.149 1.00 21.10 C ATOM 818 O ALA A 53 -0.956 -5.779 5.573 1.00 10.42 O ATOM 819 CB ALA A 53 -0.408 -2.532 4.596 1.00 74.51 C ATOM 0 H ALA A 53 0.276 -4.380 6.972 1.00 10.11 H new ATOM 0 HA ALA A 53 -1.968 -2.873 6.047 1.00 71.23 H new ATOM 0 HB1 ALA A 53 -1.086 -2.463 3.745 1.00 74.51 H new ATOM 0 HB2 ALA A 53 -0.195 -1.531 4.972 1.00 74.51 H new ATOM 0 HB3 ALA A 53 0.521 -3.007 4.282 1.00 74.51 H new ATOM 825 N LEU A 54 -2.391 -4.725 4.193 1.00 62.35 N ATOM 826 CA LEU A 54 -2.906 -5.942 3.556 1.00 30.44 C ATOM 827 C LEU A 54 -2.536 -5.975 2.064 1.00 33.12 C ATOM 828 O LEU A 54 -2.277 -4.940 1.456 1.00 44.13 O ATOM 829 CB LEU A 54 -4.432 -5.995 3.711 1.00 22.13 C ATOM 830 CG LEU A 54 -4.946 -6.011 5.159 1.00 14.40 C ATOM 831 CD1 LEU A 54 -6.443 -5.722 5.202 1.00 61.41 C ATOM 832 CD2 LEU A 54 -4.634 -7.350 5.828 1.00 55.00 C ATOM 0 H LEU A 54 -2.808 -3.867 3.833 1.00 62.35 H new ATOM 0 HA LEU A 54 -2.456 -6.807 4.043 1.00 30.44 H new ATOM 0 HB2 LEU A 54 -4.862 -5.134 3.200 1.00 22.13 H new ATOM 0 HB3 LEU A 54 -4.801 -6.885 3.202 1.00 22.13 H new ATOM 0 HG LEU A 54 -4.431 -5.226 5.713 1.00 14.40 H new ATOM 0 HD11 LEU A 54 -6.787 -5.738 6.236 1.00 61.41 H new ATOM 0 HD12 LEU A 54 -6.637 -4.740 4.770 1.00 61.41 H new ATOM 0 HD13 LEU A 54 -6.977 -6.481 4.630 1.00 61.41 H new ATOM 0 HD21 LEU A 54 -5.006 -7.340 6.852 1.00 55.00 H new ATOM 0 HD22 LEU A 54 -5.117 -8.155 5.274 1.00 55.00 H new ATOM 0 HD23 LEU A 54 -3.556 -7.511 5.835 1.00 55.00 H new ATOM 844 N ILE A 55 -2.523 -7.164 1.477 1.00 54.21 N ATOM 845 CA ILE A 55 -2.152 -7.328 0.068 1.00 64.41 C ATOM 846 C ILE A 55 -3.035 -8.372 -0.628 1.00 52.20 C ATOM 847 O ILE A 55 -3.450 -9.361 -0.021 1.00 22.00 O ATOM 848 CB ILE A 55 -0.668 -7.770 -0.067 1.00 21.13 C ATOM 849 CG1 ILE A 55 -0.211 -7.761 -1.537 1.00 12.22 C ATOM 850 CG2 ILE A 55 -0.452 -9.155 0.544 1.00 33.30 C ATOM 851 CD1 ILE A 55 -0.195 -6.387 -2.171 1.00 42.11 C ATOM 0 H ILE A 55 -2.765 -8.034 1.951 1.00 54.21 H new ATOM 0 HA ILE A 55 -2.295 -6.359 -0.410 1.00 64.41 H new ATOM 0 HB ILE A 55 -0.063 -7.049 0.482 1.00 21.13 H new ATOM 0 HG12 ILE A 55 0.790 -8.189 -1.598 1.00 12.22 H new ATOM 0 HG13 ILE A 55 -0.870 -8.408 -2.115 1.00 12.22 H new ATOM 0 HG21 ILE A 55 0.594 -9.441 0.437 1.00 33.30 H new ATOM 0 HG22 ILE A 55 -0.715 -9.131 1.602 1.00 33.30 H new ATOM 0 HG23 ILE A 55 -1.081 -9.882 0.030 1.00 33.30 H new ATOM 0 HD11 ILE A 55 0.138 -6.468 -3.206 1.00 42.11 H new ATOM 0 HD12 ILE A 55 -1.199 -5.963 -2.145 1.00 42.11 H new ATOM 0 HD13 ILE A 55 0.487 -5.740 -1.620 1.00 42.11 H new ATOM 863 N THR A 56 -3.340 -8.132 -1.899 1.00 72.12 N ATOM 864 CA THR A 56 -3.936 -9.171 -2.743 1.00 14.22 C ATOM 865 C THR A 56 -2.899 -10.264 -3.027 1.00 45.44 C ATOM 866 O THR A 56 -1.729 -9.966 -3.257 1.00 11.30 O ATOM 867 CB THR A 56 -4.446 -8.600 -4.090 1.00 52.33 C ATOM 868 OG1 THR A 56 -3.377 -7.928 -4.780 1.00 33.31 O ATOM 869 CG2 THR A 56 -5.607 -7.631 -3.873 1.00 63.00 C ATOM 0 H THR A 56 -3.188 -7.238 -2.367 1.00 72.12 H new ATOM 0 HA THR A 56 -4.788 -9.583 -2.202 1.00 14.22 H new ATOM 0 HB THR A 56 -4.801 -9.434 -4.695 1.00 52.33 H new ATOM 0 HG1 THR A 56 -2.563 -7.964 -4.236 1.00 33.31 H new ATOM 0 HG21 THR A 56 -5.944 -7.246 -4.835 1.00 63.00 H new ATOM 0 HG22 THR A 56 -6.429 -8.152 -3.382 1.00 63.00 H new ATOM 0 HG23 THR A 56 -5.277 -6.802 -3.246 1.00 63.00 H new ATOM 877 N ARG A 57 -3.314 -11.527 -3.017 1.00 52.04 N ATOM 878 CA ARG A 57 -2.373 -12.642 -3.190 1.00 13.23 C ATOM 879 C ARG A 57 -1.799 -12.711 -4.617 1.00 43.22 C ATOM 880 O ARG A 57 -0.884 -13.488 -4.890 1.00 55.30 O ATOM 881 CB ARG A 57 -3.040 -13.967 -2.800 1.00 32.01 C ATOM 882 CG ARG A 57 -3.596 -13.964 -1.377 1.00 14.52 C ATOM 883 CD ARG A 57 -3.939 -15.364 -0.890 1.00 50.23 C ATOM 884 NE ARG A 57 -2.747 -16.201 -0.761 1.00 50.44 N ATOM 885 CZ ARG A 57 -2.267 -16.626 0.378 1.00 3.50 C ATOM 886 NH1 ARG A 57 -2.812 -16.274 1.500 1.00 1.31 N ATOM 887 NH2 ARG A 57 -1.221 -17.386 0.391 1.00 34.51 N ATOM 0 H ARG A 57 -4.286 -11.808 -2.892 1.00 52.04 H new ATOM 0 HA ARG A 57 -1.529 -12.462 -2.524 1.00 13.23 H new ATOM 0 HB2 ARG A 57 -3.849 -14.179 -3.499 1.00 32.01 H new ATOM 0 HB3 ARG A 57 -2.314 -14.774 -2.898 1.00 32.01 H new ATOM 0 HG2 ARG A 57 -2.865 -13.516 -0.704 1.00 14.52 H new ATOM 0 HG3 ARG A 57 -4.488 -13.339 -1.339 1.00 14.52 H new ATOM 0 HD2 ARG A 57 -4.444 -15.300 0.074 1.00 50.23 H new ATOM 0 HD3 ARG A 57 -4.637 -15.830 -1.586 1.00 50.23 H new ATOM 0 HE ARG A 57 -2.259 -16.471 -1.615 1.00 50.44 H new ATOM 0 HH11 ARG A 57 -3.625 -15.658 1.501 1.00 1.31 H new ATOM 0 HH12 ARG A 57 -2.428 -16.613 2.382 1.00 1.31 H new ATOM 0 HH21 ARG A 57 -0.773 -17.652 -0.486 1.00 34.51 H new ATOM 0 HH22 ARG A 57 -0.844 -17.719 1.278 1.00 34.51 H new ATOM 901 N ASP A 58 -2.343 -11.895 -5.520 1.00 1.45 N ATOM 902 CA ASP A 58 -1.782 -11.722 -6.867 1.00 31.23 C ATOM 903 C ASP A 58 -0.809 -10.521 -6.894 1.00 5.55 C ATOM 904 O ASP A 58 -0.092 -10.301 -7.870 1.00 13.34 O ATOM 905 CB ASP A 58 -2.921 -11.528 -7.880 1.00 64.45 C ATOM 906 CG ASP A 58 -2.425 -11.375 -9.309 1.00 53.25 C ATOM 907 OD1 ASP A 58 -1.851 -12.341 -9.854 1.00 10.41 O ATOM 908 OD2 ASP A 58 -2.613 -10.293 -9.898 1.00 3.45 O ATOM 0 H ASP A 58 -3.179 -11.337 -5.344 1.00 1.45 H new ATOM 0 HA ASP A 58 -1.220 -12.615 -7.140 1.00 31.23 H new ATOM 0 HB2 ASP A 58 -3.598 -12.381 -7.825 1.00 64.45 H new ATOM 0 HB3 ASP A 58 -3.498 -10.645 -7.605 1.00 64.45 H new ATOM 913 N ARG A 59 -0.792 -9.760 -5.790 1.00 23.35 N ATOM 914 CA ARG A 59 0.077 -8.577 -5.629 1.00 73.13 C ATOM 915 C ARG A 59 -0.252 -7.470 -6.643 1.00 15.51 C ATOM 916 O ARG A 59 0.602 -6.655 -6.998 1.00 14.23 O ATOM 917 CB ARG A 59 1.569 -8.966 -5.706 1.00 42.03 C ATOM 918 CG ARG A 59 2.079 -9.723 -4.475 1.00 21.21 C ATOM 919 CD ARG A 59 1.510 -11.138 -4.375 1.00 22.44 C ATOM 920 NE ARG A 59 1.871 -11.786 -3.113 1.00 1.31 N ATOM 921 CZ ARG A 59 3.012 -12.383 -2.884 1.00 42.41 C ATOM 922 NH1 ARG A 59 3.923 -12.450 -3.804 1.00 72.53 N ATOM 923 NH2 ARG A 59 3.233 -12.915 -1.726 1.00 3.42 N ATOM 0 H ARG A 59 -1.382 -9.945 -4.979 1.00 23.35 H new ATOM 0 HA ARG A 59 -0.122 -8.173 -4.636 1.00 73.13 H new ATOM 0 HB2 ARG A 59 1.728 -9.582 -6.591 1.00 42.03 H new ATOM 0 HB3 ARG A 59 2.164 -8.062 -5.836 1.00 42.03 H new ATOM 0 HG2 ARG A 59 3.167 -9.775 -4.511 1.00 21.21 H new ATOM 0 HG3 ARG A 59 1.816 -9.166 -3.576 1.00 21.21 H new ATOM 0 HD2 ARG A 59 0.424 -11.099 -4.465 1.00 22.44 H new ATOM 0 HD3 ARG A 59 1.878 -11.737 -5.208 1.00 22.44 H new ATOM 0 HE ARG A 59 1.184 -11.771 -2.359 1.00 1.31 H new ATOM 0 HH11 ARG A 59 3.754 -12.034 -4.720 1.00 72.53 H new ATOM 0 HH12 ARG A 59 4.808 -12.919 -3.612 1.00 72.53 H new ATOM 0 HH21 ARG A 59 2.520 -12.867 -0.998 1.00 3.42 H new ATOM 0 HH22 ARG A 59 4.121 -13.382 -1.540 1.00 3.42 H new ATOM 937 N LYS A 60 -1.511 -7.419 -7.074 1.00 1.23 N ATOM 938 CA LYS A 60 -1.963 -6.407 -8.037 1.00 2.03 C ATOM 939 C LYS A 60 -2.575 -5.174 -7.341 1.00 22.42 C ATOM 940 O LYS A 60 -2.646 -4.092 -7.929 1.00 23.21 O ATOM 941 CB LYS A 60 -2.959 -7.035 -9.032 1.00 52.30 C ATOM 942 CG LYS A 60 -4.146 -7.769 -8.388 1.00 14.40 C ATOM 943 CD LYS A 60 -5.435 -6.947 -8.409 1.00 50.51 C ATOM 944 CE LYS A 60 -5.860 -6.579 -9.829 1.00 62.32 C ATOM 945 NZ LYS A 60 -6.004 -7.775 -10.703 1.00 62.50 N ATOM 0 H LYS A 60 -2.240 -8.066 -6.773 1.00 1.23 H new ATOM 0 HA LYS A 60 -1.090 -6.054 -8.585 1.00 2.03 H new ATOM 0 HB2 LYS A 60 -3.346 -6.249 -9.680 1.00 52.30 H new ATOM 0 HB3 LYS A 60 -2.420 -7.736 -9.669 1.00 52.30 H new ATOM 0 HG2 LYS A 60 -4.312 -8.710 -8.912 1.00 14.40 H new ATOM 0 HG3 LYS A 60 -3.897 -8.018 -7.357 1.00 14.40 H new ATOM 0 HD2 LYS A 60 -6.233 -7.513 -7.928 1.00 50.51 H new ATOM 0 HD3 LYS A 60 -5.293 -6.037 -7.826 1.00 50.51 H new ATOM 0 HE2 LYS A 60 -6.807 -6.041 -9.794 1.00 62.32 H new ATOM 0 HE3 LYS A 60 -5.124 -5.902 -10.262 1.00 62.32 H new ATOM 0 HZ1 LYS A 60 -6.058 -7.474 -11.697 1.00 62.50 H new ATOM 0 HZ2 LYS A 60 -5.183 -8.400 -10.575 1.00 62.50 H new ATOM 0 HZ3 LYS A 60 -6.872 -8.288 -10.449 1.00 62.50 H new ATOM 959 N GLN A 61 -3.012 -5.345 -6.090 1.00 42.31 N ATOM 960 CA GLN A 61 -3.557 -4.237 -5.282 1.00 73.52 C ATOM 961 C GLN A 61 -3.188 -4.381 -3.792 1.00 64.13 C ATOM 962 O GLN A 61 -3.036 -5.495 -3.283 1.00 51.03 O ATOM 963 CB GLN A 61 -5.086 -4.159 -5.421 1.00 11.50 C ATOM 964 CG GLN A 61 -5.568 -3.720 -6.799 1.00 74.03 C ATOM 965 CD GLN A 61 -7.081 -3.744 -6.926 1.00 71.33 C ATOM 966 OE1 GLN A 61 -7.758 -4.543 -6.290 1.00 43.32 O ATOM 967 NE2 GLN A 61 -7.623 -2.882 -7.761 1.00 13.13 N ATOM 0 H GLN A 61 -3.001 -6.244 -5.608 1.00 42.31 H new ATOM 0 HA GLN A 61 -3.110 -3.318 -5.662 1.00 73.52 H new ATOM 0 HB2 GLN A 61 -5.510 -5.137 -5.195 1.00 11.50 H new ATOM 0 HB3 GLN A 61 -5.472 -3.464 -4.675 1.00 11.50 H new ATOM 0 HG2 GLN A 61 -5.206 -2.712 -7.002 1.00 74.03 H new ATOM 0 HG3 GLN A 61 -5.134 -4.373 -7.556 1.00 74.03 H new ATOM 0 HE21 GLN A 61 -7.032 -2.230 -8.276 1.00 13.13 H new ATOM 0 HE22 GLN A 61 -8.634 -2.867 -7.893 1.00 13.13 H new ATOM 976 N VAL A 62 -3.057 -3.241 -3.106 1.00 3.15 N ATOM 977 CA VAL A 62 -2.742 -3.204 -1.668 1.00 10.12 C ATOM 978 C VAL A 62 -3.912 -2.602 -0.866 1.00 43.14 C ATOM 979 O VAL A 62 -4.687 -1.806 -1.393 1.00 44.13 O ATOM 980 CB VAL A 62 -1.469 -2.350 -1.397 1.00 13.15 C ATOM 981 CG1 VAL A 62 -1.077 -2.375 0.081 1.00 11.41 C ATOM 982 CG2 VAL A 62 -0.309 -2.812 -2.270 1.00 43.12 C ATOM 0 H VAL A 62 -3.165 -2.318 -3.527 1.00 3.15 H new ATOM 0 HA VAL A 62 -2.567 -4.232 -1.351 1.00 10.12 H new ATOM 0 HB VAL A 62 -1.707 -1.319 -1.658 1.00 13.15 H new ATOM 0 HG11 VAL A 62 -0.184 -1.768 0.231 1.00 11.41 H new ATOM 0 HG12 VAL A 62 -1.894 -1.974 0.681 1.00 11.41 H new ATOM 0 HG13 VAL A 62 -0.873 -3.401 0.386 1.00 11.41 H new ATOM 0 HG21 VAL A 62 0.569 -2.200 -2.062 1.00 43.12 H new ATOM 0 HG22 VAL A 62 -0.083 -3.856 -2.053 1.00 43.12 H new ATOM 0 HG23 VAL A 62 -0.581 -2.711 -3.321 1.00 43.12 H new ATOM 992 N PHE A 63 -4.042 -2.987 0.402 1.00 13.24 N ATOM 993 CA PHE A 63 -5.043 -2.400 1.307 1.00 22.24 C ATOM 994 C PHE A 63 -4.377 -1.912 2.605 1.00 2.11 C ATOM 995 O PHE A 63 -3.290 -2.361 2.965 1.00 24.21 O ATOM 996 CB PHE A 63 -6.156 -3.411 1.618 1.00 35.01 C ATOM 997 CG PHE A 63 -7.090 -3.671 0.462 1.00 21.22 C ATOM 998 CD1 PHE A 63 -6.793 -4.632 -0.495 1.00 41.11 C ATOM 999 CD2 PHE A 63 -8.270 -2.950 0.335 1.00 13.44 C ATOM 1000 CE1 PHE A 63 -7.653 -4.867 -1.551 1.00 53.32 C ATOM 1001 CE2 PHE A 63 -9.134 -3.183 -0.719 1.00 2.24 C ATOM 1002 CZ PHE A 63 -8.825 -4.143 -1.662 1.00 21.02 C ATOM 0 H PHE A 63 -3.464 -3.708 0.834 1.00 13.24 H new ATOM 0 HA PHE A 63 -5.493 -1.542 0.807 1.00 22.24 H new ATOM 0 HB2 PHE A 63 -5.702 -4.353 1.924 1.00 35.01 H new ATOM 0 HB3 PHE A 63 -6.736 -3.047 2.466 1.00 35.01 H new ATOM 0 HD1 PHE A 63 -5.880 -5.202 -0.413 1.00 41.11 H new ATOM 0 HD2 PHE A 63 -8.516 -2.197 1.069 1.00 13.44 H new ATOM 0 HE1 PHE A 63 -7.409 -5.616 -2.289 1.00 53.32 H new ATOM 0 HE2 PHE A 63 -10.049 -2.615 -0.804 1.00 2.24 H new ATOM 0 HZ PHE A 63 -9.499 -4.328 -2.486 1.00 21.02 H new ATOM 1012 N ARG A 64 -5.037 -0.997 3.313 1.00 24.14 N ATOM 1013 CA ARG A 64 -4.433 -0.332 4.479 1.00 64.34 C ATOM 1014 C ARG A 64 -5.005 -0.850 5.815 1.00 33.53 C ATOM 1015 O ARG A 64 -6.141 -1.311 5.887 1.00 21.11 O ATOM 1016 CB ARG A 64 -4.653 1.185 4.364 1.00 5.31 C ATOM 1017 CG ARG A 64 -4.071 1.999 5.519 1.00 32.21 C ATOM 1018 CD ARG A 64 -4.365 3.487 5.367 1.00 13.34 C ATOM 1019 NE ARG A 64 -3.927 4.252 6.535 1.00 40.44 N ATOM 1020 CZ ARG A 64 -4.721 4.990 7.265 1.00 34.25 C ATOM 1021 NH1 ARG A 64 -5.972 5.117 6.952 1.00 33.40 N ATOM 1022 NH2 ARG A 64 -4.261 5.610 8.301 1.00 15.24 N ATOM 0 H ARG A 64 -5.989 -0.696 3.104 1.00 24.14 H new ATOM 0 HA ARG A 64 -3.368 -0.562 4.480 1.00 64.34 H new ATOM 0 HB2 ARG A 64 -4.210 1.534 3.431 1.00 5.31 H new ATOM 0 HB3 ARG A 64 -5.724 1.380 4.302 1.00 5.31 H new ATOM 0 HG2 ARG A 64 -4.486 1.641 6.461 1.00 32.21 H new ATOM 0 HG3 ARG A 64 -2.993 1.844 5.566 1.00 32.21 H new ATOM 0 HD2 ARG A 64 -3.865 3.867 4.476 1.00 13.34 H new ATOM 0 HD3 ARG A 64 -5.435 3.632 5.218 1.00 13.34 H new ATOM 0 HE ARG A 64 -2.942 4.206 6.795 1.00 40.44 H new ATOM 0 HH11 ARG A 64 -6.343 4.639 6.131 1.00 33.40 H new ATOM 0 HH12 ARG A 64 -6.585 5.695 7.527 1.00 33.40 H new ATOM 0 HH21 ARG A 64 -3.276 5.524 8.551 1.00 15.24 H new ATOM 0 HH22 ARG A 64 -4.883 6.185 8.869 1.00 15.24 H new ATOM 1036 N ILE A 65 -4.193 -0.777 6.872 1.00 32.31 N ATOM 1037 CA ILE A 65 -4.642 -1.092 8.238 1.00 73.32 C ATOM 1038 C ILE A 65 -4.332 0.077 9.189 1.00 32.40 C ATOM 1039 O ILE A 65 -3.226 0.619 9.171 1.00 74.13 O ATOM 1040 CB ILE A 65 -3.951 -2.364 8.798 1.00 12.51 C ATOM 1041 CG1 ILE A 65 -4.162 -3.569 7.868 1.00 61.32 C ATOM 1042 CG2 ILE A 65 -4.465 -2.686 10.203 1.00 63.34 C ATOM 1043 CD1 ILE A 65 -3.471 -4.831 8.345 1.00 52.13 C ATOM 0 H ILE A 65 -3.213 -0.501 6.811 1.00 32.31 H new ATOM 0 HA ILE A 65 -5.716 -1.266 8.180 1.00 73.32 H new ATOM 0 HB ILE A 65 -2.882 -2.160 8.854 1.00 12.51 H new ATOM 0 HG12 ILE A 65 -5.231 -3.763 7.775 1.00 61.32 H new ATOM 0 HG13 ILE A 65 -3.795 -3.318 6.873 1.00 61.32 H new ATOM 0 HG21 ILE A 65 -3.967 -3.581 10.576 1.00 63.34 H new ATOM 0 HG22 ILE A 65 -4.253 -1.849 10.868 1.00 63.34 H new ATOM 0 HG23 ILE A 65 -5.541 -2.858 10.166 1.00 63.34 H new ATOM 0 HD11 ILE A 65 -3.663 -5.640 7.640 1.00 52.13 H new ATOM 0 HD12 ILE A 65 -2.397 -4.655 8.411 1.00 52.13 H new ATOM 0 HD13 ILE A 65 -3.855 -5.107 9.327 1.00 52.13 H new ATOM 1055 N GLU A 66 -5.304 0.466 10.013 1.00 33.14 N ATOM 1056 CA GLU A 66 -5.081 1.502 11.032 1.00 71.21 C ATOM 1057 C GLU A 66 -5.830 1.165 12.326 1.00 34.15 C ATOM 1058 O GLU A 66 -6.916 0.589 12.283 1.00 42.44 O ATOM 1059 CB GLU A 66 -5.522 2.885 10.520 1.00 43.11 C ATOM 1060 CG GLU A 66 -7.026 3.018 10.285 1.00 61.44 C ATOM 1061 CD GLU A 66 -7.459 4.455 10.045 1.00 3.23 C ATOM 1062 OE1 GLU A 66 -7.475 5.247 11.015 1.00 30.10 O ATOM 1063 OE2 GLU A 66 -7.778 4.810 8.894 1.00 34.03 O ATOM 0 H GLU A 66 -6.250 0.085 9.999 1.00 33.14 H new ATOM 0 HA GLU A 66 -4.012 1.532 11.241 1.00 71.21 H new ATOM 0 HB2 GLU A 66 -5.210 3.642 11.239 1.00 43.11 H new ATOM 0 HB3 GLU A 66 -5.000 3.097 9.587 1.00 43.11 H new ATOM 0 HG2 GLU A 66 -7.310 2.409 9.427 1.00 61.44 H new ATOM 0 HG3 GLU A 66 -7.561 2.621 11.148 1.00 61.44 H new ATOM 1070 N ASP A 67 -5.238 1.506 13.469 1.00 20.23 N ATOM 1071 CA ASP A 67 -5.872 1.282 14.774 1.00 65.31 C ATOM 1072 C ASP A 67 -6.219 -0.213 14.976 1.00 44.54 C ATOM 1073 O ASP A 67 -7.214 -0.560 15.614 1.00 3.42 O ATOM 1074 CB ASP A 67 -7.127 2.170 14.889 1.00 65.44 C ATOM 1075 CG ASP A 67 -7.751 2.147 16.273 1.00 1.25 C ATOM 1076 OD1 ASP A 67 -7.009 2.302 17.266 1.00 21.21 O ATOM 1077 OD2 ASP A 67 -8.984 1.966 16.377 1.00 13.01 O ATOM 0 H ASP A 67 -4.317 1.940 13.521 1.00 20.23 H new ATOM 0 HA ASP A 67 -5.172 1.556 15.563 1.00 65.31 H new ATOM 0 HB2 ASP A 67 -6.863 3.196 14.634 1.00 65.44 H new ATOM 0 HB3 ASP A 67 -7.866 1.840 14.159 1.00 65.44 H new ATOM 1082 N SER A 68 -5.368 -1.091 14.430 1.00 74.32 N ATOM 1083 CA SER A 68 -5.567 -2.554 14.508 1.00 51.14 C ATOM 1084 C SER A 68 -6.783 -3.016 13.689 1.00 13.43 C ATOM 1085 O SER A 68 -7.213 -4.169 13.793 1.00 41.54 O ATOM 1086 CB SER A 68 -5.717 -3.013 15.968 1.00 12.01 C ATOM 1087 OG SER A 68 -4.611 -2.600 16.758 1.00 53.14 O ATOM 0 H SER A 68 -4.526 -0.816 13.924 1.00 74.32 H new ATOM 0 HA SER A 68 -4.677 -3.015 14.079 1.00 51.14 H new ATOM 0 HB2 SER A 68 -6.637 -2.605 16.386 1.00 12.01 H new ATOM 0 HB3 SER A 68 -5.805 -4.099 16.002 1.00 12.01 H new ATOM 0 HG SER A 68 -4.736 -2.905 17.681 1.00 53.14 H new ATOM 1093 N ILE A 69 -7.326 -2.114 12.869 1.00 44.14 N ATOM 1094 CA ILE A 69 -8.506 -2.404 12.043 1.00 72.01 C ATOM 1095 C ILE A 69 -8.126 -2.565 10.556 1.00 34.43 C ATOM 1096 O ILE A 69 -7.587 -1.641 9.940 1.00 23.43 O ATOM 1097 CB ILE A 69 -9.569 -1.277 12.172 1.00 22.31 C ATOM 1098 CG1 ILE A 69 -9.971 -1.078 13.644 1.00 43.35 C ATOM 1099 CG2 ILE A 69 -10.797 -1.581 11.313 1.00 54.43 C ATOM 1100 CD1 ILE A 69 -10.534 -2.320 14.305 1.00 23.42 C ATOM 0 H ILE A 69 -6.965 -1.167 12.757 1.00 44.14 H new ATOM 0 HA ILE A 69 -8.925 -3.342 12.408 1.00 72.01 H new ATOM 0 HB ILE A 69 -9.125 -0.350 11.808 1.00 22.31 H new ATOM 0 HG12 ILE A 69 -9.099 -0.744 14.206 1.00 43.35 H new ATOM 0 HG13 ILE A 69 -10.712 -0.281 13.703 1.00 43.35 H new ATOM 0 HG21 ILE A 69 -11.525 -0.777 11.422 1.00 54.43 H new ATOM 0 HG22 ILE A 69 -10.499 -1.662 10.268 1.00 54.43 H new ATOM 0 HG23 ILE A 69 -11.244 -2.521 11.637 1.00 54.43 H new ATOM 0 HD11 ILE A 69 -10.792 -2.096 15.340 1.00 23.42 H new ATOM 0 HD12 ILE A 69 -11.427 -2.644 13.770 1.00 23.42 H new ATOM 0 HD13 ILE A 69 -9.788 -3.115 14.281 1.00 23.42 H new ATOM 1112 N PRO A 70 -8.386 -3.753 9.966 1.00 21.34 N ATOM 1113 CA PRO A 70 -8.123 -4.005 8.540 1.00 22.43 C ATOM 1114 C PRO A 70 -9.091 -3.241 7.615 1.00 10.33 C ATOM 1115 O PRO A 70 -10.261 -3.609 7.477 1.00 22.53 O ATOM 1116 CB PRO A 70 -8.319 -5.530 8.394 1.00 11.41 C ATOM 1117 CG PRO A 70 -8.391 -6.061 9.790 1.00 5.04 C ATOM 1118 CD PRO A 70 -8.937 -4.942 10.631 1.00 2.43 C ATOM 0 HA PRO A 70 -7.130 -3.664 8.248 1.00 22.43 H new ATOM 0 HB2 PRO A 70 -9.230 -5.757 7.841 1.00 11.41 H new ATOM 0 HB3 PRO A 70 -7.492 -5.981 7.845 1.00 11.41 H new ATOM 0 HG2 PRO A 70 -9.036 -6.938 9.841 1.00 5.04 H new ATOM 0 HG3 PRO A 70 -7.406 -6.369 10.142 1.00 5.04 H new ATOM 0 HD2 PRO A 70 -10.027 -4.935 10.640 1.00 2.43 H new ATOM 0 HD3 PRO A 70 -8.610 -5.016 11.668 1.00 2.43 H new ATOM 1126 N VAL A 71 -8.602 -2.173 6.987 1.00 4.55 N ATOM 1127 CA VAL A 71 -9.439 -1.356 6.105 1.00 52.22 C ATOM 1128 C VAL A 71 -9.594 -2.011 4.718 1.00 63.41 C ATOM 1129 O VAL A 71 -8.782 -1.797 3.816 1.00 14.14 O ATOM 1130 CB VAL A 71 -8.873 0.082 5.952 1.00 14.40 C ATOM 1131 CG1 VAL A 71 -9.811 0.956 5.121 1.00 31.22 C ATOM 1132 CG2 VAL A 71 -8.615 0.709 7.324 1.00 61.44 C ATOM 0 H VAL A 71 -7.637 -1.853 7.070 1.00 4.55 H new ATOM 0 HA VAL A 71 -10.422 -1.289 6.571 1.00 52.22 H new ATOM 0 HB VAL A 71 -7.922 0.017 5.423 1.00 14.40 H new ATOM 0 HG11 VAL A 71 -9.390 1.957 5.030 1.00 31.22 H new ATOM 0 HG12 VAL A 71 -9.930 0.521 4.129 1.00 31.22 H new ATOM 0 HG13 VAL A 71 -10.783 1.014 5.611 1.00 31.22 H new ATOM 0 HG21 VAL A 71 -8.219 1.716 7.195 1.00 61.44 H new ATOM 0 HG22 VAL A 71 -9.549 0.755 7.884 1.00 61.44 H new ATOM 0 HG23 VAL A 71 -7.893 0.103 7.871 1.00 61.44 H new ATOM 1142 N LEU A 72 -10.639 -2.828 4.570 1.00 32.04 N ATOM 1143 CA LEU A 72 -10.948 -3.495 3.296 1.00 71.45 C ATOM 1144 C LEU A 72 -11.672 -2.552 2.314 1.00 61.42 C ATOM 1145 O LEU A 72 -12.154 -2.986 1.266 1.00 74.53 O ATOM 1146 CB LEU A 72 -11.818 -4.736 3.554 1.00 13.30 C ATOM 1147 CG LEU A 72 -11.204 -5.784 4.500 1.00 24.34 C ATOM 1148 CD1 LEU A 72 -12.182 -6.931 4.740 1.00 64.31 C ATOM 1149 CD2 LEU A 72 -9.879 -6.303 3.945 1.00 45.10 C ATOM 0 H LEU A 72 -11.293 -3.047 5.322 1.00 32.04 H new ATOM 0 HA LEU A 72 -10.003 -3.790 2.841 1.00 71.45 H new ATOM 0 HB2 LEU A 72 -12.772 -4.411 3.969 1.00 13.30 H new ATOM 0 HB3 LEU A 72 -12.032 -5.214 2.598 1.00 13.30 H new ATOM 0 HG LEU A 72 -11.003 -5.305 5.458 1.00 24.34 H new ATOM 0 HD11 LEU A 72 -11.729 -7.661 5.411 1.00 64.31 H new ATOM 0 HD12 LEU A 72 -13.095 -6.542 5.190 1.00 64.31 H new ATOM 0 HD13 LEU A 72 -12.421 -7.410 3.791 1.00 64.31 H new ATOM 0 HD21 LEU A 72 -9.463 -7.042 4.629 1.00 45.10 H new ATOM 0 HD22 LEU A 72 -10.048 -6.764 2.972 1.00 45.10 H new ATOM 0 HD23 LEU A 72 -9.180 -5.474 3.838 1.00 45.10 H new ATOM 1161 N LEU A 73 -11.752 -1.265 2.660 1.00 5.34 N ATOM 1162 CA LEU A 73 -12.399 -0.270 1.799 1.00 52.35 C ATOM 1163 C LEU A 73 -11.571 -0.017 0.527 1.00 21.13 C ATOM 1164 O LEU A 73 -10.431 0.446 0.603 1.00 43.41 O ATOM 1165 CB LEU A 73 -12.595 1.050 2.562 1.00 5.33 C ATOM 1166 CG LEU A 73 -13.468 0.960 3.824 1.00 71.14 C ATOM 1167 CD1 LEU A 73 -13.538 2.312 4.531 1.00 13.14 C ATOM 1168 CD2 LEU A 73 -14.868 0.459 3.475 1.00 33.11 C ATOM 0 H LEU A 73 -11.377 -0.887 3.530 1.00 5.34 H new ATOM 0 HA LEU A 73 -13.372 -0.664 1.506 1.00 52.35 H new ATOM 0 HB2 LEU A 73 -11.615 1.435 2.845 1.00 5.33 H new ATOM 0 HB3 LEU A 73 -13.040 1.779 1.884 1.00 5.33 H new ATOM 0 HG LEU A 73 -13.009 0.244 4.506 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -14.161 2.225 5.421 1.00 13.14 H new ATOM 0 HD12 LEU A 73 -12.534 2.624 4.819 1.00 13.14 H new ATOM 0 HD13 LEU A 73 -13.969 3.053 3.858 1.00 13.14 H new ATOM 0 HD21 LEU A 73 -15.471 0.402 4.382 1.00 33.11 H new ATOM 0 HD22 LEU A 73 -15.336 1.147 2.771 1.00 33.11 H new ATOM 0 HD23 LEU A 73 -14.798 -0.530 3.023 1.00 33.11 H new ATOM 1180 N PRO A 74 -12.139 -0.299 -0.667 1.00 53.53 N ATOM 1181 CA PRO A 74 -11.419 -0.152 -1.944 1.00 30.21 C ATOM 1182 C PRO A 74 -10.900 1.276 -2.174 1.00 23.21 C ATOM 1183 O PRO A 74 -9.876 1.475 -2.818 1.00 41.11 O ATOM 1184 CB PRO A 74 -12.468 -0.534 -3.008 1.00 34.11 C ATOM 1185 CG PRO A 74 -13.784 -0.431 -2.312 1.00 31.34 C ATOM 1186 CD PRO A 74 -13.519 -0.773 -0.870 1.00 64.23 C ATOM 0 HA PRO A 74 -10.526 -0.777 -1.973 1.00 30.21 H new ATOM 0 HB2 PRO A 74 -12.422 0.137 -3.865 1.00 34.11 H new ATOM 0 HB3 PRO A 74 -12.299 -1.543 -3.384 1.00 34.11 H new ATOM 0 HG2 PRO A 74 -14.197 0.573 -2.405 1.00 31.34 H new ATOM 0 HG3 PRO A 74 -14.511 -1.116 -2.748 1.00 31.34 H new ATOM 0 HD2 PRO A 74 -14.220 -0.274 -0.201 1.00 64.23 H new ATOM 0 HD3 PRO A 74 -13.610 -1.843 -0.686 1.00 64.23 H new ATOM 1194 N GLU A 75 -11.612 2.262 -1.628 1.00 14.22 N ATOM 1195 CA GLU A 75 -11.212 3.673 -1.729 1.00 50.15 C ATOM 1196 C GLU A 75 -9.841 3.929 -1.071 1.00 35.25 C ATOM 1197 O GLU A 75 -9.078 4.796 -1.513 1.00 2.00 O ATOM 1198 CB GLU A 75 -12.285 4.554 -1.074 1.00 43.43 C ATOM 1199 CG GLU A 75 -12.525 4.232 0.398 1.00 24.55 C ATOM 1200 CD GLU A 75 -13.747 4.935 0.965 1.00 24.01 C ATOM 1201 OE1 GLU A 75 -14.864 4.389 0.836 1.00 22.32 O ATOM 1202 OE2 GLU A 75 -13.596 6.032 1.543 1.00 1.31 O ATOM 0 H GLU A 75 -12.476 2.111 -1.107 1.00 14.22 H new ATOM 0 HA GLU A 75 -11.118 3.925 -2.785 1.00 50.15 H new ATOM 0 HB2 GLU A 75 -11.990 5.599 -1.165 1.00 43.43 H new ATOM 0 HB3 GLU A 75 -13.221 4.438 -1.620 1.00 43.43 H new ATOM 0 HG2 GLU A 75 -12.645 3.155 0.514 1.00 24.55 H new ATOM 0 HG3 GLU A 75 -11.646 4.519 0.976 1.00 24.55 H new ATOM 1209 N GLU A 76 -9.533 3.161 -0.025 1.00 54.05 N ATOM 1210 CA GLU A 76 -8.284 3.320 0.733 1.00 42.50 C ATOM 1211 C GLU A 76 -7.168 2.421 0.163 1.00 62.21 C ATOM 1212 O GLU A 76 -6.026 2.452 0.626 1.00 0.52 O ATOM 1213 CB GLU A 76 -8.542 2.975 2.211 1.00 73.52 C ATOM 1214 CG GLU A 76 -7.412 3.357 3.167 1.00 1.24 C ATOM 1215 CD GLU A 76 -7.175 4.861 3.241 1.00 72.45 C ATOM 1216 OE1 GLU A 76 -8.144 5.603 3.506 1.00 64.54 O ATOM 1217 OE2 GLU A 76 -6.021 5.307 3.042 1.00 24.53 O ATOM 0 H GLU A 76 -10.136 2.415 0.322 1.00 54.05 H new ATOM 0 HA GLU A 76 -7.952 4.355 0.649 1.00 42.50 H new ATOM 0 HB2 GLU A 76 -9.455 3.476 2.532 1.00 73.52 H new ATOM 0 HB3 GLU A 76 -8.721 1.903 2.293 1.00 73.52 H new ATOM 0 HG2 GLU A 76 -7.645 2.982 4.164 1.00 1.24 H new ATOM 0 HG3 GLU A 76 -6.493 2.865 2.849 1.00 1.24 H new ATOM 1224 N ALA A 77 -7.512 1.622 -0.847 1.00 21.12 N ATOM 1225 CA ALA A 77 -6.562 0.696 -1.469 1.00 62.34 C ATOM 1226 C ALA A 77 -5.457 1.432 -2.245 1.00 30.14 C ATOM 1227 O ALA A 77 -5.649 2.550 -2.720 1.00 34.35 O ATOM 1228 CB ALA A 77 -7.297 -0.271 -2.391 1.00 44.25 C ATOM 0 H ALA A 77 -8.447 1.597 -1.255 1.00 21.12 H new ATOM 0 HA ALA A 77 -6.079 0.138 -0.667 1.00 62.34 H new ATOM 0 HB1 ALA A 77 -6.581 -0.954 -2.847 1.00 44.25 H new ATOM 0 HB2 ALA A 77 -8.025 -0.841 -1.814 1.00 44.25 H new ATOM 0 HB3 ALA A 77 -7.811 0.290 -3.171 1.00 44.25 H new ATOM 1234 N ILE A 78 -4.303 0.786 -2.378 1.00 3.30 N ATOM 1235 CA ILE A 78 -3.146 1.367 -3.072 1.00 10.45 C ATOM 1236 C ILE A 78 -2.771 0.549 -4.322 1.00 72.01 C ATOM 1237 O ILE A 78 -2.770 -0.684 -4.294 1.00 21.54 O ATOM 1238 CB ILE A 78 -1.918 1.437 -2.125 1.00 22.02 C ATOM 1239 CG1 ILE A 78 -2.265 2.228 -0.848 1.00 0.45 C ATOM 1240 CG2 ILE A 78 -0.717 2.058 -2.839 1.00 73.42 C ATOM 1241 CD1 ILE A 78 -1.166 2.237 0.199 1.00 51.43 C ATOM 0 H ILE A 78 -4.138 -0.151 -2.011 1.00 3.30 H new ATOM 0 HA ILE A 78 -3.428 2.373 -3.381 1.00 10.45 H new ATOM 0 HB ILE A 78 -1.650 0.421 -1.836 1.00 22.02 H new ATOM 0 HG12 ILE A 78 -2.497 3.257 -1.124 1.00 0.45 H new ATOM 0 HG13 ILE A 78 -3.168 1.805 -0.407 1.00 0.45 H new ATOM 0 HG21 ILE A 78 0.132 2.097 -2.156 1.00 73.42 H new ATOM 0 HG22 ILE A 78 -0.457 1.453 -3.707 1.00 73.42 H new ATOM 0 HG23 ILE A 78 -0.969 3.068 -3.163 1.00 73.42 H new ATOM 0 HD11 ILE A 78 -1.492 2.815 1.064 1.00 51.43 H new ATOM 0 HD12 ILE A 78 -0.948 1.214 0.507 1.00 51.43 H new ATOM 0 HD13 ILE A 78 -0.267 2.688 -0.221 1.00 51.43 H new ATOM 1253 N ALA A 79 -2.444 1.237 -5.416 1.00 20.21 N ATOM 1254 CA ALA A 79 -2.060 0.569 -6.666 1.00 31.03 C ATOM 1255 C ALA A 79 -0.553 0.253 -6.703 1.00 70.35 C ATOM 1256 O ALA A 79 0.280 1.157 -6.750 1.00 21.20 O ATOM 1257 CB ALA A 79 -2.453 1.431 -7.860 1.00 2.33 C ATOM 0 H ALA A 79 -2.436 2.256 -5.465 1.00 20.21 H new ATOM 0 HA ALA A 79 -2.594 -0.380 -6.717 1.00 31.03 H new ATOM 0 HB1 ALA A 79 -2.164 0.928 -8.783 1.00 2.33 H new ATOM 0 HB2 ALA A 79 -3.531 1.589 -7.855 1.00 2.33 H new ATOM 0 HB3 ALA A 79 -1.945 2.393 -7.797 1.00 2.33 H new ATOM 1263 N THR A 80 -0.215 -1.040 -6.705 1.00 12.14 N ATOM 1264 CA THR A 80 1.194 -1.488 -6.696 1.00 60.40 C ATOM 1265 C THR A 80 2.001 -0.906 -7.862 1.00 35.32 C ATOM 1266 O THR A 80 3.162 -0.525 -7.699 1.00 34.14 O ATOM 1267 CB THR A 80 1.301 -3.033 -6.758 1.00 12.42 C ATOM 1268 OG1 THR A 80 0.638 -3.525 -7.933 1.00 22.43 O ATOM 1269 CG2 THR A 80 0.690 -3.677 -5.519 1.00 14.33 C ATOM 0 H THR A 80 -0.894 -1.801 -6.713 1.00 12.14 H new ATOM 0 HA THR A 80 1.610 -1.122 -5.757 1.00 60.40 H new ATOM 0 HB THR A 80 2.358 -3.296 -6.797 1.00 12.42 H new ATOM 0 HG1 THR A 80 0.520 -4.495 -7.860 1.00 22.43 H new ATOM 0 HG21 THR A 80 0.780 -4.761 -5.591 1.00 14.33 H new ATOM 0 HG22 THR A 80 1.216 -3.327 -4.630 1.00 14.33 H new ATOM 0 HG23 THR A 80 -0.363 -3.404 -5.449 1.00 14.33 H new ATOM 1277 N ILE A 81 1.379 -0.834 -9.035 1.00 52.34 N ATOM 1278 CA ILE A 81 2.039 -0.326 -10.245 1.00 33.32 C ATOM 1279 C ILE A 81 2.503 1.141 -10.094 1.00 70.12 C ATOM 1280 O ILE A 81 3.373 1.608 -10.831 1.00 53.30 O ATOM 1281 CB ILE A 81 1.100 -0.454 -11.476 1.00 13.21 C ATOM 1282 CG1 ILE A 81 1.849 -0.096 -12.771 1.00 4.45 C ATOM 1283 CG2 ILE A 81 -0.139 0.424 -11.301 1.00 21.22 C ATOM 1284 CD1 ILE A 81 1.048 -0.356 -14.030 1.00 73.34 C ATOM 0 H ILE A 81 0.411 -1.122 -9.179 1.00 52.34 H new ATOM 0 HA ILE A 81 2.927 -0.940 -10.397 1.00 33.32 H new ATOM 0 HB ILE A 81 0.773 -1.491 -11.552 1.00 13.21 H new ATOM 0 HG12 ILE A 81 2.128 0.957 -12.740 1.00 4.45 H new ATOM 0 HG13 ILE A 81 2.775 -0.670 -12.815 1.00 4.45 H new ATOM 0 HG21 ILE A 81 -0.784 0.321 -12.173 1.00 21.22 H new ATOM 0 HG22 ILE A 81 -0.682 0.113 -10.409 1.00 21.22 H new ATOM 0 HG23 ILE A 81 0.165 1.465 -11.196 1.00 21.22 H new ATOM 0 HD11 ILE A 81 1.641 -0.080 -14.902 1.00 73.34 H new ATOM 0 HD12 ILE A 81 0.791 -1.414 -14.086 1.00 73.34 H new ATOM 0 HD13 ILE A 81 0.134 0.238 -14.009 1.00 73.34 H new ATOM 1296 N GLN A 82 1.923 1.866 -9.133 1.00 60.04 N ATOM 1297 CA GLN A 82 2.301 3.266 -8.876 1.00 33.34 C ATOM 1298 C GLN A 82 3.519 3.357 -7.940 1.00 3.53 C ATOM 1299 O GLN A 82 4.166 4.401 -7.836 1.00 75.11 O ATOM 1300 CB GLN A 82 1.113 4.027 -8.269 1.00 41.12 C ATOM 1301 CG GLN A 82 -0.111 4.087 -9.177 1.00 72.21 C ATOM 1302 CD GLN A 82 0.141 4.867 -10.458 1.00 51.50 C ATOM 1303 OE1 GLN A 82 -0.082 6.070 -10.522 1.00 3.42 O ATOM 1304 NE2 GLN A 82 0.615 4.193 -11.485 1.00 32.31 N ATOM 0 H GLN A 82 1.190 1.511 -8.519 1.00 60.04 H new ATOM 0 HA GLN A 82 2.575 3.721 -9.828 1.00 33.34 H new ATOM 0 HB2 GLN A 82 0.833 3.553 -7.328 1.00 41.12 H new ATOM 0 HB3 GLN A 82 1.428 5.043 -8.032 1.00 41.12 H new ATOM 0 HG2 GLN A 82 -0.420 3.073 -9.430 1.00 72.21 H new ATOM 0 HG3 GLN A 82 -0.938 4.546 -8.635 1.00 72.21 H new ATOM 0 HE21 GLN A 82 0.790 3.192 -11.401 1.00 32.31 H new ATOM 0 HE22 GLN A 82 0.807 4.672 -12.365 1.00 32.31 H new ATOM 1313 N ILE A 83 3.830 2.254 -7.264 1.00 44.43 N ATOM 1314 CA ILE A 83 4.960 2.207 -6.332 1.00 53.43 C ATOM 1315 C ILE A 83 6.279 1.933 -7.077 1.00 52.23 C ATOM 1316 O ILE A 83 6.653 0.782 -7.304 1.00 71.51 O ATOM 1317 CB ILE A 83 4.743 1.124 -5.240 1.00 34.33 C ATOM 1318 CG1 ILE A 83 3.373 1.311 -4.561 1.00 44.52 C ATOM 1319 CG2 ILE A 83 5.869 1.157 -4.206 1.00 15.44 C ATOM 1320 CD1 ILE A 83 3.181 2.670 -3.916 1.00 4.11 C ATOM 0 H ILE A 83 3.315 1.377 -7.343 1.00 44.43 H new ATOM 0 HA ILE A 83 5.022 3.183 -5.850 1.00 53.43 H new ATOM 0 HB ILE A 83 4.758 0.146 -5.722 1.00 34.33 H new ATOM 0 HG12 ILE A 83 2.589 1.159 -5.302 1.00 44.52 H new ATOM 0 HG13 ILE A 83 3.248 0.539 -3.801 1.00 44.52 H new ATOM 0 HG21 ILE A 83 5.694 0.389 -3.452 1.00 15.44 H new ATOM 0 HG22 ILE A 83 6.822 0.969 -4.700 1.00 15.44 H new ATOM 0 HG23 ILE A 83 5.895 2.136 -3.727 1.00 15.44 H new ATOM 0 HD11 ILE A 83 2.192 2.720 -3.461 1.00 4.11 H new ATOM 0 HD12 ILE A 83 3.941 2.820 -3.149 1.00 4.11 H new ATOM 0 HD13 ILE A 83 3.272 3.448 -4.674 1.00 4.11 H new ATOM 1332 N ALA A 84 6.972 3.003 -7.466 1.00 13.42 N ATOM 1333 CA ALA A 84 8.246 2.889 -8.194 1.00 44.11 C ATOM 1334 C ALA A 84 9.310 2.123 -7.393 1.00 14.42 C ATOM 1335 O ALA A 84 10.209 1.498 -7.960 1.00 42.41 O ATOM 1336 CB ALA A 84 8.761 4.276 -8.563 1.00 41.35 C ATOM 0 H ALA A 84 6.676 3.963 -7.291 1.00 13.42 H new ATOM 0 HA ALA A 84 8.053 2.316 -9.101 1.00 44.11 H new ATOM 0 HB1 ALA A 84 9.704 4.183 -9.101 1.00 41.35 H new ATOM 0 HB2 ALA A 84 8.030 4.779 -9.196 1.00 41.35 H new ATOM 0 HB3 ALA A 84 8.918 4.859 -7.656 1.00 41.35 H new ATOM 1342 N ASN A 85 9.195 2.163 -6.069 1.00 50.22 N ATOM 1343 CA ASN A 85 10.169 1.515 -5.180 1.00 55.23 C ATOM 1344 C ASN A 85 9.822 0.039 -4.909 1.00 63.53 C ATOM 1345 O ASN A 85 10.494 -0.630 -4.126 1.00 44.05 O ATOM 1346 CB ASN A 85 10.259 2.288 -3.857 1.00 62.33 C ATOM 1347 CG ASN A 85 10.775 3.704 -4.045 1.00 45.03 C ATOM 1348 OD1 ASN A 85 11.565 3.981 -4.941 1.00 32.00 O ATOM 1349 ND2 ASN A 85 10.336 4.615 -3.202 1.00 14.12 N ATOM 0 H ASN A 85 8.436 2.638 -5.581 1.00 50.22 H new ATOM 0 HA ASN A 85 11.135 1.531 -5.684 1.00 55.23 H new ATOM 0 HB2 ASN A 85 9.274 2.322 -3.392 1.00 62.33 H new ATOM 0 HB3 ASN A 85 10.916 1.753 -3.171 1.00 62.33 H new ATOM 0 HD21 ASN A 85 10.653 5.581 -3.284 1.00 14.12 H new ATOM 0 HD22 ASN A 85 9.679 4.355 -2.466 1.00 14.12 H new ATOM 1356 N PHE A 86 8.769 -0.463 -5.550 1.00 10.32 N ATOM 1357 CA PHE A 86 8.378 -1.870 -5.417 1.00 51.41 C ATOM 1358 C PHE A 86 9.343 -2.787 -6.204 1.00 60.21 C ATOM 1359 O PHE A 86 9.529 -2.604 -7.409 1.00 2.23 O ATOM 1360 CB PHE A 86 6.940 -2.052 -5.923 1.00 42.13 C ATOM 1361 CG PHE A 86 6.199 -3.184 -5.263 1.00 32.02 C ATOM 1362 CD1 PHE A 86 5.643 -3.001 -4.008 1.00 53.23 C ATOM 1363 CD2 PHE A 86 6.060 -4.417 -5.882 1.00 64.21 C ATOM 1364 CE1 PHE A 86 4.957 -4.025 -3.381 1.00 54.05 C ATOM 1365 CE2 PHE A 86 5.374 -5.445 -5.261 1.00 64.45 C ATOM 1366 CZ PHE A 86 4.823 -5.249 -4.007 1.00 34.23 C ATOM 0 H PHE A 86 8.168 0.082 -6.168 1.00 10.32 H new ATOM 0 HA PHE A 86 8.430 -2.151 -4.365 1.00 51.41 H new ATOM 0 HB2 PHE A 86 6.388 -1.126 -5.760 1.00 42.13 H new ATOM 0 HB3 PHE A 86 6.963 -2.225 -6.999 1.00 42.13 H new ATOM 0 HD1 PHE A 86 5.746 -2.047 -3.513 1.00 53.23 H new ATOM 0 HD2 PHE A 86 6.492 -4.576 -6.859 1.00 64.21 H new ATOM 0 HE1 PHE A 86 4.527 -3.868 -2.403 1.00 54.05 H new ATOM 0 HE2 PHE A 86 5.269 -6.400 -5.754 1.00 64.45 H new ATOM 0 HZ PHE A 86 4.289 -6.051 -3.519 1.00 34.23 H new ATOM 1376 N PRO A 87 9.963 -3.785 -5.538 1.00 24.14 N ATOM 1377 CA PRO A 87 10.941 -4.686 -6.187 1.00 24.44 C ATOM 1378 C PRO A 87 10.308 -5.637 -7.225 1.00 60.13 C ATOM 1379 O PRO A 87 9.433 -6.447 -6.899 1.00 73.51 O ATOM 1380 CB PRO A 87 11.524 -5.478 -5.007 1.00 34.54 C ATOM 1381 CG PRO A 87 10.452 -5.450 -3.969 1.00 51.11 C ATOM 1382 CD PRO A 87 9.774 -4.112 -4.111 1.00 71.12 C ATOM 0 HA PRO A 87 11.681 -4.126 -6.759 1.00 24.44 H new ATOM 0 HB2 PRO A 87 11.768 -6.500 -5.297 1.00 34.54 H new ATOM 0 HB3 PRO A 87 12.444 -5.023 -4.640 1.00 34.54 H new ATOM 0 HG2 PRO A 87 9.743 -6.265 -4.118 1.00 51.11 H new ATOM 0 HG3 PRO A 87 10.872 -5.571 -2.970 1.00 51.11 H new ATOM 0 HD2 PRO A 87 8.718 -4.166 -3.847 1.00 71.12 H new ATOM 0 HD3 PRO A 87 10.226 -3.361 -3.463 1.00 71.12 H new ATOM 1390 N ASP A 88 10.759 -5.535 -8.476 1.00 23.22 N ATOM 1391 CA ASP A 88 10.274 -6.402 -9.556 1.00 13.34 C ATOM 1392 C ASP A 88 11.071 -7.716 -9.617 1.00 23.24 C ATOM 1393 O ASP A 88 12.231 -7.736 -10.030 1.00 54.32 O ATOM 1394 CB ASP A 88 10.372 -5.676 -10.903 1.00 1.43 C ATOM 1395 CG ASP A 88 9.526 -4.421 -10.944 1.00 10.31 C ATOM 1396 OD1 ASP A 88 8.320 -4.522 -11.263 1.00 35.41 O ATOM 1397 OD2 ASP A 88 10.055 -3.327 -10.660 1.00 54.54 O ATOM 0 H ASP A 88 11.463 -4.858 -8.769 1.00 23.22 H new ATOM 0 HA ASP A 88 9.231 -6.642 -9.348 1.00 13.34 H new ATOM 0 HB2 ASP A 88 11.412 -5.416 -11.098 1.00 1.43 H new ATOM 0 HB3 ASP A 88 10.057 -6.350 -11.700 1.00 1.43 H new ATOM 1402 N LYS A 89 10.441 -8.812 -9.195 1.00 52.42 N ATOM 1403 CA LYS A 89 11.084 -10.133 -9.200 1.00 31.31 C ATOM 1404 C LYS A 89 10.187 -11.181 -9.879 1.00 44.43 C ATOM 1405 O LYS A 89 9.093 -11.482 -9.395 1.00 63.31 O ATOM 1406 CB LYS A 89 11.412 -10.568 -7.760 1.00 74.14 C ATOM 1407 CG LYS A 89 12.304 -9.577 -7.009 1.00 20.50 C ATOM 1408 CD LYS A 89 12.657 -10.063 -5.606 1.00 21.24 C ATOM 1409 CE LYS A 89 13.443 -11.366 -5.647 1.00 43.21 C ATOM 1410 NZ LYS A 89 13.848 -11.813 -4.291 1.00 33.31 N ATOM 0 H LYS A 89 9.483 -8.815 -8.844 1.00 52.42 H new ATOM 0 HA LYS A 89 12.010 -10.058 -9.770 1.00 31.31 H new ATOM 0 HB2 LYS A 89 10.481 -10.697 -7.207 1.00 74.14 H new ATOM 0 HB3 LYS A 89 11.905 -11.540 -7.786 1.00 74.14 H new ATOM 0 HG2 LYS A 89 13.221 -9.415 -7.576 1.00 20.50 H new ATOM 0 HG3 LYS A 89 11.797 -8.615 -6.941 1.00 20.50 H new ATOM 0 HD2 LYS A 89 13.242 -9.300 -5.092 1.00 21.24 H new ATOM 0 HD3 LYS A 89 11.743 -10.206 -5.029 1.00 21.24 H new ATOM 0 HE2 LYS A 89 12.837 -12.140 -6.118 1.00 43.21 H new ATOM 0 HE3 LYS A 89 14.331 -11.235 -6.266 1.00 43.21 H new ATOM 0 HZ1 LYS A 89 14.381 -12.703 -4.364 1.00 33.31 H new ATOM 0 HZ2 LYS A 89 14.447 -11.086 -3.850 1.00 33.31 H new ATOM 0 HZ3 LYS A 89 13.000 -11.963 -3.707 1.00 33.31 H new ATOM 1424 N LEU A 90 10.650 -11.733 -10.999 1.00 21.44 N ATOM 1425 CA LEU A 90 9.868 -12.711 -11.765 1.00 54.34 C ATOM 1426 C LEU A 90 10.085 -14.149 -11.258 1.00 31.15 C ATOM 1427 O LEU A 90 11.197 -14.680 -11.307 1.00 33.40 O ATOM 1428 CB LEU A 90 10.225 -12.629 -13.258 1.00 22.51 C ATOM 1429 CG LEU A 90 9.943 -11.274 -13.933 1.00 33.42 C ATOM 1430 CD1 LEU A 90 10.356 -11.308 -15.404 1.00 31.24 C ATOM 1431 CD2 LEU A 90 8.469 -10.894 -13.793 1.00 23.13 C ATOM 0 H LEU A 90 11.564 -11.521 -11.400 1.00 21.44 H new ATOM 0 HA LEU A 90 8.816 -12.462 -11.625 1.00 54.34 H new ATOM 0 HB2 LEU A 90 11.284 -12.860 -13.374 1.00 22.51 H new ATOM 0 HB3 LEU A 90 9.670 -13.402 -13.789 1.00 22.51 H new ATOM 0 HG LEU A 90 10.538 -10.513 -13.429 1.00 33.42 H new ATOM 0 HD11 LEU A 90 10.148 -10.341 -15.863 1.00 31.24 H new ATOM 0 HD12 LEU A 90 11.422 -11.523 -15.478 1.00 31.24 H new ATOM 0 HD13 LEU A 90 9.792 -12.084 -15.922 1.00 31.24 H new ATOM 0 HD21 LEU A 90 8.293 -9.933 -14.277 1.00 23.13 H new ATOM 0 HD22 LEU A 90 7.850 -11.657 -14.265 1.00 23.13 H new ATOM 0 HD23 LEU A 90 8.211 -10.820 -12.737 1.00 23.13 H new ATOM 1443 N GLU A 91 9.011 -14.771 -10.771 1.00 24.31 N ATOM 1444 CA GLU A 91 9.039 -16.179 -10.357 1.00 74.43 C ATOM 1445 C GLU A 91 8.020 -17.006 -11.160 1.00 24.21 C ATOM 1446 O GLU A 91 7.308 -16.469 -12.013 1.00 60.04 O ATOM 1447 CB GLU A 91 8.759 -16.301 -8.848 1.00 54.42 C ATOM 1448 CG GLU A 91 7.405 -15.747 -8.413 1.00 22.21 C ATOM 1449 CD GLU A 91 7.133 -15.964 -6.929 1.00 71.42 C ATOM 1450 OE1 GLU A 91 7.697 -15.219 -6.095 1.00 11.31 O ATOM 1451 OE2 GLU A 91 6.377 -16.895 -6.583 1.00 71.31 O ATOM 0 H GLU A 91 8.104 -14.320 -10.652 1.00 24.31 H new ATOM 0 HA GLU A 91 10.034 -16.574 -10.560 1.00 74.43 H new ATOM 0 HB2 GLU A 91 8.817 -17.352 -8.564 1.00 54.42 H new ATOM 0 HB3 GLU A 91 9.544 -15.779 -8.301 1.00 54.42 H new ATOM 0 HG2 GLU A 91 7.365 -14.680 -8.634 1.00 22.21 H new ATOM 0 HG3 GLU A 91 6.617 -16.223 -8.997 1.00 22.21 H new ATOM 1458 N HIS A 92 7.953 -18.312 -10.898 1.00 31.33 N ATOM 1459 CA HIS A 92 7.011 -19.193 -11.602 1.00 2.35 C ATOM 1460 C HIS A 92 5.560 -18.943 -11.153 1.00 55.12 C ATOM 1461 O HIS A 92 5.290 -18.761 -9.965 1.00 53.42 O ATOM 1462 CB HIS A 92 7.382 -20.667 -11.383 1.00 64.45 C ATOM 1463 CG HIS A 92 8.647 -21.081 -12.078 1.00 41.54 C ATOM 1464 ND1 HIS A 92 9.865 -21.197 -11.438 1.00 15.11 N ATOM 1465 CD2 HIS A 92 8.874 -21.423 -13.370 1.00 61.32 C ATOM 1466 CE1 HIS A 92 10.782 -21.586 -12.305 1.00 1.01 C ATOM 1467 NE2 HIS A 92 10.205 -21.729 -13.481 1.00 74.40 N ATOM 0 H HIS A 92 8.536 -18.785 -10.207 1.00 31.33 H new ATOM 0 HA HIS A 92 7.081 -18.963 -12.665 1.00 2.35 H new ATOM 0 HB2 HIS A 92 7.489 -20.851 -10.314 1.00 64.45 H new ATOM 0 HB3 HIS A 92 6.563 -21.295 -11.734 1.00 64.45 H new ATOM 0 HD2 HIS A 92 8.142 -21.449 -14.164 1.00 61.32 H new ATOM 0 HE1 HIS A 92 11.826 -21.758 -12.087 1.00 1.01 H new ATOM 0 HE2 HIS A 92 10.675 -22.021 -14.338 1.00 74.40 H new ATOM 1476 N HIS A 93 4.630 -18.938 -12.109 1.00 33.33 N ATOM 1477 CA HIS A 93 3.211 -18.707 -11.806 1.00 43.05 C ATOM 1478 C HIS A 93 2.550 -19.970 -11.238 1.00 60.21 C ATOM 1479 O HIS A 93 2.293 -20.931 -11.971 1.00 3.23 O ATOM 1480 CB HIS A 93 2.453 -18.252 -13.062 1.00 74.34 C ATOM 1481 CG HIS A 93 2.909 -16.935 -13.609 1.00 51.12 C ATOM 1482 ND1 HIS A 93 3.902 -16.818 -14.558 1.00 53.31 N ATOM 1483 CD2 HIS A 93 2.496 -15.673 -13.344 1.00 74.53 C ATOM 1484 CE1 HIS A 93 4.079 -15.546 -14.855 1.00 21.33 C ATOM 1485 NE2 HIS A 93 3.240 -14.832 -14.134 1.00 33.13 N ATOM 0 H HIS A 93 4.830 -19.090 -13.098 1.00 33.33 H new ATOM 0 HA HIS A 93 3.163 -17.920 -11.054 1.00 43.05 H new ATOM 0 HB2 HIS A 93 2.564 -19.012 -13.835 1.00 74.34 H new ATOM 0 HB3 HIS A 93 1.390 -18.188 -12.828 1.00 74.34 H new ATOM 0 HD2 HIS A 93 1.727 -15.383 -12.644 1.00 74.53 H new ATOM 0 HE1 HIS A 93 4.791 -15.156 -15.568 1.00 21.33 H new ATOM 0 HE2 HIS A 93 3.156 -13.816 -14.158 1.00 33.13 H new ATOM 1494 N HIS A 94 2.288 -19.969 -9.930 1.00 12.34 N ATOM 1495 CA HIS A 94 1.572 -21.077 -9.289 1.00 42.20 C ATOM 1496 C HIS A 94 0.096 -21.080 -9.719 1.00 54.11 C ATOM 1497 O HIS A 94 -0.769 -20.523 -9.038 1.00 64.04 O ATOM 1498 CB HIS A 94 1.691 -20.980 -7.758 1.00 23.00 C ATOM 1499 CG HIS A 94 1.173 -22.185 -7.025 1.00 71.20 C ATOM 1500 ND1 HIS A 94 1.964 -23.263 -6.702 1.00 2.50 N ATOM 1501 CD2 HIS A 94 -0.061 -22.474 -6.543 1.00 61.01 C ATOM 1502 CE1 HIS A 94 1.247 -24.160 -6.058 1.00 71.03 C ATOM 1503 NE2 HIS A 94 0.014 -23.709 -5.947 1.00 2.05 N ATOM 0 H HIS A 94 2.559 -19.218 -9.295 1.00 12.34 H new ATOM 0 HA HIS A 94 2.025 -22.015 -9.609 1.00 42.20 H new ATOM 0 HB2 HIS A 94 2.738 -20.830 -7.494 1.00 23.00 H new ATOM 0 HB3 HIS A 94 1.147 -20.099 -7.417 1.00 23.00 H new ATOM 0 HD2 HIS A 94 -0.939 -21.849 -6.614 1.00 61.01 H new ATOM 0 HE1 HIS A 94 1.609 -25.106 -5.684 1.00 71.03 H new ATOM 0 HE2 HIS A 94 -0.758 -24.197 -5.493 1.00 2.05 H new ATOM 1512 N HIS A 95 -0.175 -21.685 -10.871 1.00 20.11 N ATOM 1513 CA HIS A 95 -1.524 -21.729 -11.438 1.00 75.43 C ATOM 1514 C HIS A 95 -2.242 -23.021 -11.015 1.00 23.05 C ATOM 1515 O HIS A 95 -1.991 -24.093 -11.569 1.00 53.32 O ATOM 1516 CB HIS A 95 -1.431 -21.625 -12.970 1.00 51.21 C ATOM 1517 CG HIS A 95 -2.733 -21.337 -13.652 1.00 11.12 C ATOM 1518 ND1 HIS A 95 -3.182 -20.059 -13.901 1.00 21.25 N ATOM 1519 CD2 HIS A 95 -3.673 -22.167 -14.162 1.00 32.14 C ATOM 1520 CE1 HIS A 95 -4.339 -20.113 -14.529 1.00 11.35 C ATOM 1521 NE2 HIS A 95 -4.657 -21.379 -14.700 1.00 54.51 N ATOM 0 H HIS A 95 0.529 -22.158 -11.438 1.00 20.11 H new ATOM 0 HA HIS A 95 -2.107 -20.889 -11.061 1.00 75.43 H new ATOM 0 HB2 HIS A 95 -0.720 -20.840 -13.226 1.00 51.21 H new ATOM 0 HB3 HIS A 95 -1.029 -22.559 -13.361 1.00 51.21 H new ATOM 0 HD2 HIS A 95 -3.652 -23.247 -14.148 1.00 32.14 H new ATOM 0 HE1 HIS A 95 -4.926 -19.264 -14.849 1.00 11.35 H new ATOM 0 HE2 HIS A 95 -5.501 -21.719 -15.160 1.00 54.51 H new ATOM 1530 N HIS A 96 -3.130 -22.911 -10.023 1.00 3.20 N ATOM 1531 CA HIS A 96 -3.791 -24.086 -9.429 1.00 21.01 C ATOM 1532 C HIS A 96 -4.879 -24.666 -10.354 1.00 52.03 C ATOM 1533 O HIS A 96 -6.070 -24.613 -10.049 1.00 52.03 O ATOM 1534 CB HIS A 96 -4.393 -23.708 -8.067 1.00 13.12 C ATOM 1535 CG HIS A 96 -4.960 -24.870 -7.304 1.00 33.01 C ATOM 1536 ND1 HIS A 96 -6.271 -25.286 -7.417 1.00 53.44 N ATOM 1537 CD2 HIS A 96 -4.387 -25.707 -6.406 1.00 4.23 C ATOM 1538 CE1 HIS A 96 -6.476 -26.319 -6.627 1.00 24.22 C ATOM 1539 NE2 HIS A 96 -5.350 -26.595 -6.005 1.00 64.42 N ATOM 0 H HIS A 96 -3.411 -22.021 -9.611 1.00 3.20 H new ATOM 0 HA HIS A 96 -3.037 -24.861 -9.293 1.00 21.01 H new ATOM 0 HB2 HIS A 96 -3.623 -23.230 -7.461 1.00 13.12 H new ATOM 0 HB3 HIS A 96 -5.180 -22.970 -8.222 1.00 13.12 H new ATOM 0 HD1 HIS A 96 -6.974 -24.859 -8.020 1.00 53.44 H new ATOM 0 HD2 HIS A 96 -3.361 -25.679 -6.069 1.00 4.23 H new ATOM 0 HE1 HIS A 96 -7.409 -26.849 -6.510 1.00 24.22 H new ATOM 1548 N HIS A 97 -4.454 -25.214 -11.489 1.00 3.20 N ATOM 1549 CA HIS A 97 -5.360 -25.822 -12.476 1.00 21.42 C ATOM 1550 C HIS A 97 -4.642 -26.932 -13.262 1.00 13.54 C ATOM 1551 O HIS A 97 -3.764 -26.604 -14.090 1.00 36.37 O ATOM 1552 CB HIS A 97 -5.912 -24.764 -13.453 1.00 75.33 C ATOM 1553 CG HIS A 97 -7.014 -23.917 -12.887 1.00 55.44 C ATOM 1554 ND1 HIS A 97 -8.347 -24.184 -13.107 1.00 54.43 N ATOM 1555 CD2 HIS A 97 -6.983 -22.809 -12.110 1.00 30.44 C ATOM 1556 CE1 HIS A 97 -9.083 -23.286 -12.488 1.00 32.31 C ATOM 1557 NE2 HIS A 97 -8.284 -22.439 -11.872 1.00 65.23 N ATOM 1558 OXT HIS A 97 -4.970 -28.120 -13.062 1.00 36.37 O ATOM 0 H HIS A 97 -3.471 -25.252 -11.757 1.00 3.20 H new ATOM 0 HA HIS A 97 -6.196 -26.258 -11.929 1.00 21.42 H new ATOM 0 HB2 HIS A 97 -5.095 -24.114 -13.767 1.00 75.33 H new ATOM 0 HB3 HIS A 97 -6.279 -25.268 -14.347 1.00 75.33 H new ATOM 0 HD2 HIS A 97 -6.099 -22.308 -11.745 1.00 30.44 H new ATOM 0 HE1 HIS A 97 -10.162 -23.249 -12.485 1.00 32.31 H new ATOM 0 HE2 HIS A 97 -8.582 -21.641 -11.311 1.00 65.23 H new TER 1567 HIS A 97