USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 963 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 82 ASN : amide:sc= 0.749 K(o=0.58,f=-1.2) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.171 X(o=0.58,f=0.99) USER MOD Set 2.1: A 74 LYS NZ :NH3+ 139:sc= 0.0189 (180deg=-0.288) USER MOD Set 2.2: A 97 THR OG1 : rot -63:sc= 0.394 USER MOD Set 3.1: A 14 CYS SG : rot 42:sc= -0.134 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.115 K(o=-0.25,f=0.27) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc= -0.0203 (180deg=-0.17) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.752) USER MOD Single : A 16 ASN : amide:sc=-0.00585 X(o=-0.0059,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00825) USER MOD Single : A 21 THR OG1 : rot 122:sc= 0.436 USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.0804 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -146:sc= 0.0096 USER MOD Single : A 28 SER OG : rot -152:sc= 0.146 USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.297 (180deg=0.144) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.835 (180deg=0.506) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 56:sc= -4.11! USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0.482 (180deg=0.469) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0.357 (180deg=0.352) USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 0.751 (180deg=0.185) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0168) USER MOD Single : A 72 LYS NZ :NH3+ 145:sc= 2.27 (180deg=0.632) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0.238 (180deg=0.0663) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 24:sc= 0.237 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 140:sc= -0.919 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 84:sc= 0.0315 USER MOD Single : A 112 HIS : no HE2:sc= -0.0961 K(o=-0.096,f=-0.72) USER MOD Single : A 113 HIS : no HE2:sc= 0.267 K(o=0.27,f=-0.93) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.882 -23.434 5.511 1.00 60.34 N ATOM 2 CA MET A 1 0.826 -22.573 4.934 1.00 73.00 C ATOM 3 C MET A 1 1.263 -21.090 5.000 1.00 1.54 C ATOM 4 O MET A 1 1.392 -20.527 6.093 1.00 65.13 O ATOM 5 CB MET A 1 -0.524 -22.809 5.670 1.00 13.41 C ATOM 6 CG MET A 1 -1.728 -22.065 5.061 1.00 12.32 C ATOM 7 SD MET A 1 -3.296 -22.468 5.872 1.00 34.45 S ATOM 8 CE MET A 1 -4.444 -21.459 4.930 1.00 74.12 C ATOM 0 H1 MET A 1 1.583 -24.429 5.464 1.00 60.34 H new ATOM 0 H2 MET A 1 2.763 -23.311 4.972 1.00 60.34 H new ATOM 0 H3 MET A 1 2.043 -23.168 6.503 1.00 60.34 H new ATOM 0 HA MET A 1 0.678 -22.833 3.886 1.00 73.00 H new ATOM 0 HB2 MET A 1 -0.738 -23.878 5.673 1.00 13.41 H new ATOM 0 HB3 MET A 1 -0.413 -22.503 6.710 1.00 13.41 H new ATOM 0 HG2 MET A 1 -1.556 -20.991 5.129 1.00 12.32 H new ATOM 0 HG3 MET A 1 -1.801 -22.310 4.001 1.00 12.32 H new ATOM 0 HE1 MET A 1 -5.454 -21.602 5.315 1.00 74.12 H new ATOM 0 HE2 MET A 1 -4.166 -20.409 5.022 1.00 74.12 H new ATOM 0 HE3 MET A 1 -4.410 -21.753 3.881 1.00 74.12 H new ATOM 20 N ALA A 2 1.504 -20.482 3.816 1.00 71.44 N ATOM 21 CA ALA A 2 1.967 -19.090 3.685 1.00 33.23 C ATOM 22 C ALA A 2 1.317 -18.420 2.454 1.00 60.41 C ATOM 23 O ALA A 2 0.426 -17.580 2.591 1.00 44.11 O ATOM 24 CB ALA A 2 3.502 -19.050 3.580 1.00 40.04 C ATOM 0 H ALA A 2 1.380 -20.952 2.919 1.00 71.44 H new ATOM 0 HA ALA A 2 1.667 -18.534 4.573 1.00 33.23 H new ATOM 0 HB1 ALA A 2 3.833 -18.016 3.484 1.00 40.04 H new ATOM 0 HB2 ALA A 2 3.940 -19.489 4.477 1.00 40.04 H new ATOM 0 HB3 ALA A 2 3.822 -19.617 2.705 1.00 40.04 H new ATOM 30 N GLY A 3 1.751 -18.839 1.255 1.00 3.34 N ATOM 31 CA GLY A 3 1.305 -18.232 -0.005 1.00 34.41 C ATOM 32 C GLY A 3 1.964 -18.901 -1.201 1.00 72.04 C ATOM 33 O GLY A 3 1.925 -20.133 -1.306 1.00 1.11 O ATOM 0 H GLY A 3 2.416 -19.603 1.134 1.00 3.34 H new ATOM 0 HA2 GLY A 3 0.222 -18.317 -0.089 1.00 34.41 H new ATOM 0 HA3 GLY A 3 1.543 -17.168 -0.003 1.00 34.41 H new ATOM 37 N LYS A 4 2.570 -18.103 -2.095 1.00 73.01 N ATOM 38 CA LYS A 4 3.305 -18.601 -3.283 1.00 63.44 C ATOM 39 C LYS A 4 4.076 -17.402 -3.885 1.00 54.43 C ATOM 40 O LYS A 4 4.320 -16.415 -3.172 1.00 54.14 O ATOM 41 CB LYS A 4 2.301 -19.255 -4.301 1.00 61.33 C ATOM 42 CG LYS A 4 2.947 -20.179 -5.368 1.00 10.35 C ATOM 43 CD LYS A 4 1.922 -20.879 -6.286 1.00 33.14 C ATOM 44 CE LYS A 4 1.034 -21.894 -5.535 1.00 50.12 C ATOM 45 NZ LYS A 4 1.842 -22.955 -4.869 1.00 60.25 N ATOM 0 H LYS A 4 2.567 -17.086 -2.019 1.00 73.01 H new ATOM 0 HA LYS A 4 4.019 -19.381 -3.019 1.00 63.44 H new ATOM 0 HB2 LYS A 4 1.566 -19.833 -3.741 1.00 61.33 H new ATOM 0 HB3 LYS A 4 1.759 -18.460 -4.813 1.00 61.33 H new ATOM 0 HG2 LYS A 4 3.628 -19.589 -5.982 1.00 10.35 H new ATOM 0 HG3 LYS A 4 3.547 -20.937 -4.864 1.00 10.35 H new ATOM 0 HD2 LYS A 4 1.288 -20.126 -6.754 1.00 33.14 H new ATOM 0 HD3 LYS A 4 2.452 -21.392 -7.088 1.00 33.14 H new ATOM 0 HE2 LYS A 4 0.436 -21.371 -4.789 1.00 50.12 H new ATOM 0 HE3 LYS A 4 0.337 -22.354 -6.235 1.00 50.12 H new ATOM 0 HZ1 LYS A 4 1.213 -23.713 -4.537 1.00 60.25 H new ATOM 0 HZ2 LYS A 4 2.528 -23.346 -5.546 1.00 60.25 H new ATOM 0 HZ3 LYS A 4 2.350 -22.547 -4.058 1.00 60.25 H new ATOM 59 N GLU A 5 4.513 -17.508 -5.152 1.00 54.03 N ATOM 60 CA GLU A 5 5.038 -16.384 -5.936 1.00 5.55 C ATOM 61 C GLU A 5 4.000 -15.250 -6.084 1.00 51.42 C ATOM 62 O GLU A 5 3.203 -15.221 -7.031 1.00 65.14 O ATOM 63 CB GLU A 5 5.518 -16.904 -7.319 1.00 61.52 C ATOM 64 CG GLU A 5 6.876 -17.638 -7.281 1.00 40.54 C ATOM 65 CD GLU A 5 8.001 -16.739 -6.745 1.00 33.15 C ATOM 66 OE1 GLU A 5 8.473 -15.856 -7.493 1.00 42.21 O ATOM 67 OE2 GLU A 5 8.385 -16.872 -5.563 1.00 21.22 O ATOM 0 H GLU A 5 4.510 -18.390 -5.664 1.00 54.03 H new ATOM 0 HA GLU A 5 5.886 -15.953 -5.404 1.00 5.55 H new ATOM 0 HB2 GLU A 5 4.764 -17.579 -7.723 1.00 61.52 H new ATOM 0 HB3 GLU A 5 5.592 -16.061 -8.006 1.00 61.52 H new ATOM 0 HG2 GLU A 5 6.791 -18.525 -6.654 1.00 40.54 H new ATOM 0 HG3 GLU A 5 7.132 -17.980 -8.284 1.00 40.54 H new ATOM 74 N LEU A 6 3.993 -14.365 -5.077 1.00 13.11 N ATOM 75 CA LEU A 6 3.232 -13.121 -5.090 1.00 62.15 C ATOM 76 C LEU A 6 4.239 -11.974 -5.055 1.00 43.14 C ATOM 77 O LEU A 6 4.727 -11.575 -3.985 1.00 51.44 O ATOM 78 CB LEU A 6 2.273 -13.067 -3.861 1.00 45.43 C ATOM 79 CG LEU A 6 1.186 -14.191 -3.796 1.00 43.24 C ATOM 80 CD1 LEU A 6 0.398 -14.144 -2.466 1.00 72.42 C ATOM 81 CD2 LEU A 6 0.232 -14.108 -5.014 1.00 23.14 C ATOM 0 H LEU A 6 4.527 -14.502 -4.219 1.00 13.11 H new ATOM 0 HA LEU A 6 2.614 -13.048 -5.985 1.00 62.15 H new ATOM 0 HB2 LEU A 6 2.874 -13.116 -2.953 1.00 45.43 H new ATOM 0 HB3 LEU A 6 1.770 -12.100 -3.859 1.00 45.43 H new ATOM 0 HG LEU A 6 1.701 -15.151 -3.835 1.00 43.24 H new ATOM 0 HD11 LEU A 6 -0.348 -14.939 -2.457 1.00 72.42 H new ATOM 0 HD12 LEU A 6 1.085 -14.281 -1.631 1.00 72.42 H new ATOM 0 HD13 LEU A 6 -0.099 -13.179 -2.372 1.00 72.42 H new ATOM 0 HD21 LEU A 6 -0.514 -14.899 -4.946 1.00 23.14 H new ATOM 0 HD22 LEU A 6 -0.266 -13.139 -5.020 1.00 23.14 H new ATOM 0 HD23 LEU A 6 0.805 -14.227 -5.934 1.00 23.14 H new ATOM 93 N ARG A 7 4.563 -11.467 -6.248 1.00 20.14 N ATOM 94 CA ARG A 7 5.388 -10.275 -6.414 1.00 3.11 C ATOM 95 C ARG A 7 4.444 -9.089 -6.346 1.00 23.15 C ATOM 96 O ARG A 7 3.456 -9.035 -7.084 1.00 12.31 O ATOM 97 CB ARG A 7 6.176 -10.267 -7.760 1.00 12.51 C ATOM 98 CG ARG A 7 7.327 -11.309 -7.889 1.00 3.20 C ATOM 99 CD ARG A 7 6.849 -12.771 -7.970 1.00 43.04 C ATOM 100 NE ARG A 7 5.831 -12.960 -9.023 1.00 70.32 N ATOM 101 CZ ARG A 7 5.713 -14.023 -9.828 1.00 70.24 C ATOM 102 NH1 ARG A 7 6.563 -15.047 -9.751 1.00 24.35 N ATOM 103 NH2 ARG A 7 4.711 -14.068 -10.683 1.00 21.31 N ATOM 0 H ARG A 7 4.256 -11.878 -7.130 1.00 20.14 H new ATOM 0 HA ARG A 7 6.146 -10.241 -5.631 1.00 3.11 H new ATOM 0 HB2 ARG A 7 5.469 -10.435 -8.572 1.00 12.51 H new ATOM 0 HB3 ARG A 7 6.597 -9.272 -7.905 1.00 12.51 H new ATOM 0 HG2 ARG A 7 7.911 -11.080 -8.780 1.00 3.20 H new ATOM 0 HG3 ARG A 7 7.995 -11.204 -7.034 1.00 3.20 H new ATOM 0 HD2 ARG A 7 7.701 -13.421 -8.168 1.00 43.04 H new ATOM 0 HD3 ARG A 7 6.436 -13.072 -7.007 1.00 43.04 H new ATOM 0 HE ARG A 7 5.153 -12.209 -9.149 1.00 70.32 H new ATOM 0 HH11 ARG A 7 7.321 -15.030 -9.069 1.00 24.35 H new ATOM 0 HH12 ARG A 7 6.455 -15.847 -10.374 1.00 24.35 H new ATOM 0 HH21 ARG A 7 4.041 -13.300 -10.724 1.00 21.31 H new ATOM 0 HH22 ARG A 7 4.606 -14.870 -11.304 1.00 21.31 H new ATOM 117 N VAL A 8 4.722 -8.164 -5.437 1.00 34.32 N ATOM 118 CA VAL A 8 3.882 -6.984 -5.239 1.00 52.41 C ATOM 119 C VAL A 8 4.551 -5.814 -5.972 1.00 44.31 C ATOM 120 O VAL A 8 5.788 -5.710 -5.992 1.00 25.40 O ATOM 121 CB VAL A 8 3.686 -6.649 -3.703 1.00 63.01 C ATOM 122 CG1 VAL A 8 3.434 -7.933 -2.880 1.00 3.32 C ATOM 123 CG2 VAL A 8 4.874 -5.876 -3.124 1.00 4.24 C ATOM 0 H VAL A 8 5.531 -8.207 -4.818 1.00 34.32 H new ATOM 0 HA VAL A 8 2.886 -7.172 -5.639 1.00 52.41 H new ATOM 0 HB VAL A 8 2.807 -6.008 -3.633 1.00 63.01 H new ATOM 0 HG11 VAL A 8 3.303 -7.672 -1.830 1.00 3.32 H new ATOM 0 HG12 VAL A 8 2.535 -8.429 -3.245 1.00 3.32 H new ATOM 0 HG13 VAL A 8 4.286 -8.605 -2.984 1.00 3.32 H new ATOM 0 HG21 VAL A 8 4.694 -5.669 -2.069 1.00 4.24 H new ATOM 0 HG22 VAL A 8 5.781 -6.472 -3.227 1.00 4.24 H new ATOM 0 HG23 VAL A 8 4.994 -4.936 -3.663 1.00 4.24 H new ATOM 133 N GLU A 9 3.756 -4.967 -6.617 1.00 51.34 N ATOM 134 CA GLU A 9 4.268 -3.747 -7.248 1.00 1.32 C ATOM 135 C GLU A 9 3.670 -2.531 -6.539 1.00 51.41 C ATOM 136 O GLU A 9 2.593 -2.056 -6.894 1.00 25.02 O ATOM 137 CB GLU A 9 3.964 -3.760 -8.773 1.00 2.14 C ATOM 138 CG GLU A 9 4.710 -4.888 -9.527 1.00 1.10 C ATOM 139 CD GLU A 9 4.384 -4.983 -11.024 1.00 75.22 C ATOM 140 OE1 GLU A 9 5.024 -4.272 -11.825 1.00 34.41 O ATOM 141 OE2 GLU A 9 3.500 -5.782 -11.412 1.00 53.23 O ATOM 0 H GLU A 9 2.750 -5.100 -6.719 1.00 51.34 H new ATOM 0 HA GLU A 9 5.352 -3.694 -7.148 1.00 1.32 H new ATOM 0 HB2 GLU A 9 2.891 -3.878 -8.923 1.00 2.14 H new ATOM 0 HB3 GLU A 9 4.242 -2.797 -9.202 1.00 2.14 H new ATOM 0 HG2 GLU A 9 5.783 -4.736 -9.412 1.00 1.10 H new ATOM 0 HG3 GLU A 9 4.471 -5.841 -9.056 1.00 1.10 H new ATOM 148 N ILE A 10 4.398 -2.026 -5.537 1.00 31.22 N ATOM 149 CA ILE A 10 4.001 -0.834 -4.786 1.00 14.21 C ATOM 150 C ILE A 10 4.666 0.359 -5.483 1.00 61.44 C ATOM 151 O ILE A 10 5.866 0.317 -5.725 1.00 1.14 O ATOM 152 CB ILE A 10 4.472 -0.895 -3.283 1.00 34.13 C ATOM 153 CG1 ILE A 10 4.046 -2.237 -2.598 1.00 43.32 C ATOM 154 CG2 ILE A 10 3.940 0.320 -2.484 1.00 70.02 C ATOM 155 CD1 ILE A 10 2.544 -2.488 -2.534 1.00 44.22 C ATOM 0 H ILE A 10 5.279 -2.434 -5.225 1.00 31.22 H new ATOM 0 HA ILE A 10 2.914 -0.753 -4.771 1.00 14.21 H new ATOM 0 HB ILE A 10 5.561 -0.855 -3.283 1.00 34.13 H new ATOM 0 HG12 ILE A 10 4.513 -3.063 -3.134 1.00 43.32 H new ATOM 0 HG13 ILE A 10 4.443 -2.250 -1.583 1.00 43.32 H new ATOM 0 HG21 ILE A 10 4.280 0.253 -1.450 1.00 70.02 H new ATOM 0 HG22 ILE A 10 4.315 1.241 -2.930 1.00 70.02 H new ATOM 0 HG23 ILE A 10 2.850 0.323 -2.508 1.00 70.02 H new ATOM 0 HD11 ILE A 10 2.355 -3.442 -2.042 1.00 44.22 H new ATOM 0 HD12 ILE A 10 2.065 -1.688 -1.970 1.00 44.22 H new ATOM 0 HD13 ILE A 10 2.136 -2.514 -3.544 1.00 44.22 H new ATOM 167 N LYS A 11 3.898 1.385 -5.837 1.00 40.31 N ATOM 168 CA LYS A 11 4.401 2.519 -6.633 1.00 62.33 C ATOM 169 C LYS A 11 4.000 3.828 -5.946 1.00 15.33 C ATOM 170 O LYS A 11 2.814 4.130 -5.828 1.00 61.23 O ATOM 171 CB LYS A 11 3.862 2.418 -8.111 1.00 11.02 C ATOM 172 CG LYS A 11 4.950 2.425 -9.235 1.00 10.55 C ATOM 173 CD LYS A 11 5.357 3.847 -9.740 1.00 73.34 C ATOM 174 CE LYS A 11 6.136 4.699 -8.713 1.00 32.35 C ATOM 175 NZ LYS A 11 6.337 6.097 -9.176 1.00 10.34 N ATOM 0 H LYS A 11 2.912 1.462 -5.586 1.00 40.31 H new ATOM 0 HA LYS A 11 5.489 2.495 -6.692 1.00 62.33 H new ATOM 0 HB2 LYS A 11 3.278 1.502 -8.203 1.00 11.02 H new ATOM 0 HB3 LYS A 11 3.180 3.250 -8.287 1.00 11.02 H new ATOM 0 HG2 LYS A 11 5.840 1.918 -8.863 1.00 10.55 H new ATOM 0 HG3 LYS A 11 4.582 1.845 -10.081 1.00 10.55 H new ATOM 0 HD2 LYS A 11 5.966 3.738 -10.638 1.00 73.34 H new ATOM 0 HD3 LYS A 11 4.455 4.387 -10.030 1.00 73.34 H new ATOM 0 HE2 LYS A 11 5.596 4.706 -7.766 1.00 32.35 H new ATOM 0 HE3 LYS A 11 7.106 4.239 -8.523 1.00 32.35 H new ATOM 0 HZ1 LYS A 11 6.310 6.740 -8.359 1.00 10.34 H new ATOM 0 HZ2 LYS A 11 7.260 6.177 -9.649 1.00 10.34 H new ATOM 0 HZ3 LYS A 11 5.582 6.353 -9.844 1.00 10.34 H new ATOM 189 N ILE A 12 4.995 4.588 -5.464 1.00 71.42 N ATOM 190 CA ILE A 12 4.764 5.872 -4.771 1.00 73.02 C ATOM 191 C ILE A 12 5.112 7.029 -5.728 1.00 42.21 C ATOM 192 O ILE A 12 6.239 7.079 -6.234 1.00 0.34 O ATOM 193 CB ILE A 12 5.649 5.987 -3.467 1.00 3.13 C ATOM 194 CG1 ILE A 12 5.561 4.688 -2.590 1.00 22.12 C ATOM 195 CG2 ILE A 12 5.272 7.248 -2.636 1.00 71.11 C ATOM 196 CD1 ILE A 12 4.163 4.317 -2.114 1.00 24.11 C ATOM 0 H ILE A 12 5.980 4.334 -5.541 1.00 71.42 H new ATOM 0 HA ILE A 12 3.716 5.923 -4.476 1.00 73.02 H new ATOM 0 HB ILE A 12 6.685 6.096 -3.789 1.00 3.13 H new ATOM 0 HG12 ILE A 12 5.965 3.854 -3.164 1.00 22.12 H new ATOM 0 HG13 ILE A 12 6.202 4.814 -1.718 1.00 22.12 H new ATOM 0 HG21 ILE A 12 5.899 7.298 -1.746 1.00 71.11 H new ATOM 0 HG22 ILE A 12 5.428 8.142 -3.240 1.00 71.11 H new ATOM 0 HG23 ILE A 12 4.225 7.189 -2.339 1.00 71.11 H new ATOM 0 HD11 ILE A 12 4.212 3.406 -1.517 1.00 24.11 H new ATOM 0 HD12 ILE A 12 3.758 5.127 -1.507 1.00 24.11 H new ATOM 0 HD13 ILE A 12 3.517 4.152 -2.976 1.00 24.11 H new ATOM 208 N ASP A 13 4.157 7.931 -6.017 1.00 73.14 N ATOM 209 CA ASP A 13 4.435 9.162 -6.788 1.00 74.30 C ATOM 210 C ASP A 13 4.364 10.364 -5.842 1.00 25.45 C ATOM 211 O ASP A 13 3.283 10.719 -5.340 1.00 74.40 O ATOM 212 CB ASP A 13 3.449 9.333 -7.961 1.00 72.44 C ATOM 213 CG ASP A 13 3.704 10.602 -8.789 1.00 12.11 C ATOM 214 OD1 ASP A 13 4.546 10.558 -9.719 1.00 41.43 O ATOM 215 OD2 ASP A 13 3.062 11.647 -8.523 1.00 11.12 O ATOM 0 H ASP A 13 3.184 7.833 -5.729 1.00 73.14 H new ATOM 0 HA ASP A 13 5.433 9.089 -7.220 1.00 74.30 H new ATOM 0 HB2 ASP A 13 3.517 8.462 -8.613 1.00 72.44 H new ATOM 0 HB3 ASP A 13 2.432 9.361 -7.570 1.00 72.44 H new ATOM 220 N CYS A 14 5.529 10.963 -5.572 1.00 10.11 N ATOM 221 CA CYS A 14 5.669 12.121 -4.683 1.00 30.23 C ATOM 222 C CYS A 14 5.931 13.394 -5.516 1.00 20.21 C ATOM 223 O CYS A 14 7.063 13.635 -5.971 1.00 23.43 O ATOM 224 CB CYS A 14 6.798 11.829 -3.667 1.00 25.13 C ATOM 225 SG CYS A 14 8.376 11.319 -4.414 1.00 1.42 S ATOM 0 H CYS A 14 6.415 10.652 -5.971 1.00 10.11 H new ATOM 0 HA CYS A 14 4.750 12.297 -4.124 1.00 30.23 H new ATOM 0 HB2 CYS A 14 6.968 12.722 -3.066 1.00 25.13 H new ATOM 0 HB3 CYS A 14 6.463 11.046 -2.987 1.00 25.13 H new ATOM 0 HG CYS A 14 8.616 12.049 -5.462 1.00 1.42 H new ATOM 231 N GLY A 15 4.856 14.174 -5.757 1.00 1.21 N ATOM 232 CA GLY A 15 4.908 15.389 -6.583 1.00 45.43 C ATOM 233 C GLY A 15 4.910 15.080 -8.080 1.00 12.22 C ATOM 234 O GLY A 15 3.970 15.442 -8.801 1.00 70.24 O ATOM 0 H GLY A 15 3.929 13.975 -5.382 1.00 1.21 H new ATOM 0 HA2 GLY A 15 4.052 16.022 -6.347 1.00 45.43 H new ATOM 0 HA3 GLY A 15 5.803 15.957 -6.331 1.00 45.43 H new ATOM 238 N ASN A 16 5.990 14.425 -8.519 1.00 43.11 N ATOM 239 CA ASN A 16 6.196 13.921 -9.887 1.00 60.33 C ATOM 240 C ASN A 16 7.443 13.034 -9.840 1.00 4.24 C ATOM 241 O ASN A 16 8.563 13.512 -10.047 1.00 43.44 O ATOM 242 CB ASN A 16 6.359 15.080 -10.918 1.00 34.55 C ATOM 243 CG ASN A 16 6.649 14.599 -12.348 1.00 43.45 C ATOM 244 OD1 ASN A 16 5.732 14.335 -13.124 1.00 1.43 O ATOM 245 ND2 ASN A 16 7.924 14.488 -12.712 1.00 0.51 N ATOM 0 H ASN A 16 6.780 14.221 -7.907 1.00 43.11 H new ATOM 0 HA ASN A 16 5.326 13.356 -10.221 1.00 60.33 H new ATOM 0 HB2 ASN A 16 5.449 15.680 -10.924 1.00 34.55 H new ATOM 0 HB3 ASN A 16 7.169 15.733 -10.592 1.00 34.55 H new ATOM 0 HD21 ASN A 16 8.160 14.178 -13.654 1.00 0.51 H new ATOM 0 HD22 ASN A 16 8.665 14.713 -12.049 1.00 0.51 H new ATOM 252 N ASP A 17 7.246 11.769 -9.460 1.00 63.21 N ATOM 253 CA ASP A 17 8.339 10.795 -9.305 1.00 25.22 C ATOM 254 C ASP A 17 8.867 10.361 -10.683 1.00 52.41 C ATOM 255 O ASP A 17 10.069 10.460 -10.947 1.00 75.30 O ATOM 256 CB ASP A 17 7.865 9.578 -8.463 1.00 73.21 C ATOM 257 CG ASP A 17 8.987 8.576 -8.111 1.00 34.42 C ATOM 258 OD1 ASP A 17 10.116 9.014 -7.801 1.00 23.44 O ATOM 259 OD2 ASP A 17 8.742 7.347 -8.129 1.00 53.32 O ATOM 0 H ASP A 17 6.324 11.387 -9.250 1.00 63.21 H new ATOM 0 HA ASP A 17 9.162 11.267 -8.768 1.00 25.22 H new ATOM 0 HB2 ASP A 17 7.416 9.942 -7.539 1.00 73.21 H new ATOM 0 HB3 ASP A 17 7.083 9.053 -9.012 1.00 73.21 H new ATOM 264 N ASP A 18 7.943 9.875 -11.543 1.00 51.43 N ATOM 265 CA ASP A 18 8.213 9.556 -12.974 1.00 55.12 C ATOM 266 C ASP A 18 9.224 8.374 -13.147 1.00 45.41 C ATOM 267 O ASP A 18 9.787 8.164 -14.223 1.00 73.23 O ATOM 268 CB ASP A 18 8.650 10.863 -13.734 1.00 25.40 C ATOM 269 CG ASP A 18 8.853 10.703 -15.253 1.00 71.02 C ATOM 270 OD1 ASP A 18 7.897 10.301 -15.944 1.00 12.04 O ATOM 271 OD2 ASP A 18 9.977 10.935 -15.758 1.00 61.55 O ATOM 0 H ASP A 18 6.979 9.690 -11.266 1.00 51.43 H new ATOM 0 HA ASP A 18 7.290 9.197 -13.429 1.00 55.12 H new ATOM 0 HB2 ASP A 18 7.897 11.632 -13.564 1.00 25.40 H new ATOM 0 HB3 ASP A 18 9.580 11.225 -13.296 1.00 25.40 H new ATOM 276 N LYS A 19 9.425 7.578 -12.077 1.00 63.40 N ATOM 277 CA LYS A 19 10.190 6.308 -12.134 1.00 13.15 C ATOM 278 C LYS A 19 9.436 5.246 -11.339 1.00 63.44 C ATOM 279 O LYS A 19 8.860 5.554 -10.292 1.00 54.41 O ATOM 280 CB LYS A 19 11.636 6.454 -11.560 1.00 14.03 C ATOM 281 CG LYS A 19 12.600 7.306 -12.421 1.00 13.11 C ATOM 282 CD LYS A 19 14.078 7.162 -11.984 1.00 22.23 C ATOM 283 CE LYS A 19 15.047 7.935 -12.897 1.00 53.31 C ATOM 284 NZ LYS A 19 14.793 9.399 -12.879 1.00 2.54 N ATOM 0 H LYS A 19 9.063 7.794 -11.148 1.00 63.40 H new ATOM 0 HA LYS A 19 10.285 6.022 -13.181 1.00 13.15 H new ATOM 0 HB2 LYS A 19 11.573 6.897 -10.566 1.00 14.03 H new ATOM 0 HB3 LYS A 19 12.065 5.459 -11.439 1.00 14.03 H new ATOM 0 HG2 LYS A 19 12.504 7.011 -13.466 1.00 13.11 H new ATOM 0 HG3 LYS A 19 12.307 8.354 -12.357 1.00 13.11 H new ATOM 0 HD2 LYS A 19 14.186 7.520 -10.960 1.00 22.23 H new ATOM 0 HD3 LYS A 19 14.351 6.107 -11.983 1.00 22.23 H new ATOM 0 HE2 LYS A 19 16.072 7.743 -12.581 1.00 53.31 H new ATOM 0 HE3 LYS A 19 14.954 7.565 -13.918 1.00 53.31 H new ATOM 0 HZ1 LYS A 19 15.501 9.881 -13.468 1.00 2.54 H new ATOM 0 HZ2 LYS A 19 13.842 9.591 -13.254 1.00 2.54 H new ATOM 0 HZ3 LYS A 19 14.858 9.751 -11.902 1.00 2.54 H new ATOM 298 N GLU A 20 9.439 3.989 -11.830 1.00 14.22 N ATOM 299 CA GLU A 20 8.880 2.860 -11.077 1.00 72.12 C ATOM 300 C GLU A 20 9.765 2.603 -9.842 1.00 23.51 C ATOM 301 O GLU A 20 10.946 2.265 -9.967 1.00 52.13 O ATOM 302 CB GLU A 20 8.732 1.586 -11.979 1.00 30.34 C ATOM 303 CG GLU A 20 7.418 1.517 -12.806 1.00 54.44 C ATOM 304 CD GLU A 20 7.179 2.742 -13.709 1.00 64.34 C ATOM 305 OE1 GLU A 20 7.673 2.757 -14.856 1.00 71.22 O ATOM 306 OE2 GLU A 20 6.509 3.706 -13.270 1.00 31.41 O ATOM 0 H GLU A 20 9.822 3.737 -12.741 1.00 14.22 H new ATOM 0 HA GLU A 20 7.873 3.106 -10.741 1.00 72.12 H new ATOM 0 HB2 GLU A 20 9.578 1.544 -12.665 1.00 30.34 H new ATOM 0 HB3 GLU A 20 8.792 0.701 -11.345 1.00 30.34 H new ATOM 0 HG2 GLU A 20 7.438 0.620 -13.426 1.00 54.44 H new ATOM 0 HG3 GLU A 20 6.576 1.413 -12.122 1.00 54.44 H new ATOM 313 N THR A 21 9.169 2.791 -8.663 1.00 44.11 N ATOM 314 CA THR A 21 9.843 2.656 -7.371 1.00 64.33 C ATOM 315 C THR A 21 9.053 1.636 -6.562 1.00 62.03 C ATOM 316 O THR A 21 7.976 1.953 -6.060 1.00 0.13 O ATOM 317 CB THR A 21 9.883 4.043 -6.649 1.00 20.54 C ATOM 318 OG1 THR A 21 10.528 4.992 -7.512 1.00 24.41 O ATOM 319 CG2 THR A 21 10.619 3.983 -5.295 1.00 50.15 C ATOM 0 H THR A 21 8.185 3.046 -8.578 1.00 44.11 H new ATOM 0 HA THR A 21 10.874 2.322 -7.490 1.00 64.33 H new ATOM 0 HB THR A 21 8.857 4.344 -6.439 1.00 20.54 H new ATOM 0 HG1 THR A 21 9.919 5.739 -7.690 1.00 24.41 H new ATOM 0 HG21 THR A 21 10.618 4.972 -4.836 1.00 50.15 H new ATOM 0 HG22 THR A 21 10.113 3.277 -4.637 1.00 50.15 H new ATOM 0 HG23 THR A 21 11.647 3.658 -5.454 1.00 50.15 H new ATOM 327 N THR A 22 9.594 0.413 -6.450 1.00 52.12 N ATOM 328 CA THR A 22 8.842 -0.759 -6.001 1.00 10.52 C ATOM 329 C THR A 22 9.652 -1.595 -4.999 1.00 70.45 C ATOM 330 O THR A 22 10.833 -1.872 -5.224 1.00 53.10 O ATOM 331 CB THR A 22 8.429 -1.624 -7.240 1.00 25.23 C ATOM 332 OG1 THR A 22 7.594 -0.838 -8.113 1.00 11.10 O ATOM 333 CG2 THR A 22 7.682 -2.901 -6.840 1.00 75.45 C ATOM 0 H THR A 22 10.570 0.213 -6.670 1.00 52.12 H new ATOM 0 HA THR A 22 7.944 -0.418 -5.487 1.00 10.52 H new ATOM 0 HB THR A 22 9.345 -1.925 -7.749 1.00 25.23 H new ATOM 0 HG1 THR A 22 6.940 -0.340 -7.579 1.00 11.10 H new ATOM 0 HG21 THR A 22 7.419 -3.464 -7.735 1.00 75.45 H new ATOM 0 HG22 THR A 22 8.321 -3.512 -6.202 1.00 75.45 H new ATOM 0 HG23 THR A 22 6.774 -2.637 -6.298 1.00 75.45 H new ATOM 341 N TYR A 23 8.988 -1.979 -3.899 1.00 12.41 N ATOM 342 CA TYR A 23 9.558 -2.841 -2.856 1.00 21.22 C ATOM 343 C TYR A 23 8.817 -4.189 -2.882 1.00 61.33 C ATOM 344 O TYR A 23 7.584 -4.209 -2.817 1.00 40.21 O ATOM 345 CB TYR A 23 9.405 -2.156 -1.468 1.00 70.31 C ATOM 346 CG TYR A 23 10.001 -0.732 -1.398 1.00 12.25 C ATOM 347 CD1 TYR A 23 9.243 0.399 -1.755 1.00 42.24 C ATOM 348 CD2 TYR A 23 11.323 -0.516 -0.993 1.00 72.51 C ATOM 349 CE1 TYR A 23 9.785 1.673 -1.709 1.00 14.53 C ATOM 350 CE2 TYR A 23 11.863 0.757 -0.945 1.00 42.51 C ATOM 351 CZ TYR A 23 11.091 1.847 -1.304 1.00 13.41 C ATOM 352 OH TYR A 23 11.634 3.115 -1.253 1.00 54.41 O ATOM 0 H TYR A 23 8.027 -1.695 -3.707 1.00 12.41 H new ATOM 0 HA TYR A 23 10.620 -3.007 -3.037 1.00 21.22 H new ATOM 0 HB2 TYR A 23 8.346 -2.108 -1.213 1.00 70.31 H new ATOM 0 HB3 TYR A 23 9.887 -2.777 -0.713 1.00 70.31 H new ATOM 0 HD1 TYR A 23 8.218 0.271 -2.071 1.00 42.24 H new ATOM 0 HD2 TYR A 23 11.935 -1.361 -0.712 1.00 72.51 H new ATOM 0 HE1 TYR A 23 9.186 2.527 -1.990 1.00 14.53 H new ATOM 0 HE2 TYR A 23 12.886 0.899 -0.628 1.00 42.51 H new ATOM 0 HH TYR A 23 12.563 3.061 -0.946 1.00 54.41 H new ATOM 362 N ASP A 24 9.566 -5.303 -2.996 1.00 31.24 N ATOM 363 CA ASP A 24 8.991 -6.669 -3.034 1.00 4.14 C ATOM 364 C ASP A 24 8.820 -7.202 -1.608 1.00 13.24 C ATOM 365 O ASP A 24 9.802 -7.395 -0.879 1.00 10.21 O ATOM 366 CB ASP A 24 9.885 -7.622 -3.866 1.00 24.22 C ATOM 367 CG ASP A 24 9.883 -7.265 -5.357 1.00 11.13 C ATOM 368 OD1 ASP A 24 9.001 -7.767 -6.101 1.00 24.00 O ATOM 369 OD2 ASP A 24 10.744 -6.470 -5.796 1.00 45.44 O ATOM 0 H ASP A 24 10.584 -5.286 -3.064 1.00 31.24 H new ATOM 0 HA ASP A 24 8.014 -6.621 -3.514 1.00 4.14 H new ATOM 0 HB2 ASP A 24 10.906 -7.583 -3.486 1.00 24.22 H new ATOM 0 HB3 ASP A 24 9.537 -8.647 -3.739 1.00 24.22 H new ATOM 374 N LEU A 25 7.558 -7.440 -1.230 1.00 61.50 N ATOM 375 CA LEU A 25 7.151 -7.729 0.152 1.00 23.51 C ATOM 376 C LEU A 25 6.955 -9.232 0.361 1.00 32.51 C ATOM 377 O LEU A 25 7.674 -9.839 1.166 1.00 72.24 O ATOM 378 CB LEU A 25 5.836 -6.966 0.458 1.00 75.25 C ATOM 379 CG LEU A 25 5.854 -5.441 0.155 1.00 52.23 C ATOM 380 CD1 LEU A 25 4.509 -4.820 0.491 1.00 25.42 C ATOM 381 CD2 LEU A 25 7.010 -4.709 0.869 1.00 62.15 C ATOM 0 H LEU A 25 6.777 -7.437 -1.886 1.00 61.50 H new ATOM 0 HA LEU A 25 7.936 -7.399 0.833 1.00 23.51 H new ATOM 0 HB2 LEU A 25 5.031 -7.422 -0.117 1.00 75.25 H new ATOM 0 HB3 LEU A 25 5.594 -7.105 1.512 1.00 75.25 H new ATOM 0 HG LEU A 25 6.034 -5.322 -0.913 1.00 52.23 H new ATOM 0 HD11 LEU A 25 4.537 -3.752 0.274 1.00 25.42 H new ATOM 0 HD12 LEU A 25 3.730 -5.292 -0.108 1.00 25.42 H new ATOM 0 HD13 LEU A 25 4.293 -4.969 1.549 1.00 25.42 H new ATOM 0 HD21 LEU A 25 6.976 -3.648 0.623 1.00 62.15 H new ATOM 0 HD22 LEU A 25 6.910 -4.835 1.947 1.00 62.15 H new ATOM 0 HD23 LEU A 25 7.962 -5.127 0.542 1.00 62.15 H new ATOM 393 N TYR A 26 5.985 -9.806 -0.410 1.00 35.31 N ATOM 394 CA TYR A 26 5.461 -11.191 -0.220 1.00 53.21 C ATOM 395 C TYR A 26 4.661 -11.305 1.103 1.00 3.53 C ATOM 396 O TYR A 26 5.085 -10.813 2.149 1.00 42.52 O ATOM 397 CB TYR A 26 6.577 -12.282 -0.286 1.00 10.33 C ATOM 398 CG TYR A 26 7.104 -12.603 -1.697 1.00 50.32 C ATOM 399 CD1 TYR A 26 7.797 -11.654 -2.463 1.00 70.11 C ATOM 400 CD2 TYR A 26 6.912 -13.875 -2.261 1.00 44.33 C ATOM 401 CE1 TYR A 26 8.275 -11.962 -3.726 1.00 60.15 C ATOM 402 CE2 TYR A 26 7.398 -14.183 -3.518 1.00 10.24 C ATOM 403 CZ TYR A 26 8.077 -13.226 -4.244 1.00 1.52 C ATOM 404 OH TYR A 26 8.588 -13.543 -5.484 1.00 71.14 O ATOM 0 H TYR A 26 5.542 -9.315 -1.187 1.00 35.31 H new ATOM 0 HA TYR A 26 4.789 -11.382 -1.057 1.00 53.21 H new ATOM 0 HB2 TYR A 26 7.415 -11.958 0.331 1.00 10.33 H new ATOM 0 HB3 TYR A 26 6.191 -13.200 0.157 1.00 10.33 H new ATOM 0 HD1 TYR A 26 7.961 -10.665 -2.061 1.00 70.11 H new ATOM 0 HD2 TYR A 26 6.374 -14.627 -1.702 1.00 44.33 H new ATOM 0 HE1 TYR A 26 8.801 -11.216 -4.303 1.00 60.15 H new ATOM 0 HE2 TYR A 26 7.247 -15.170 -3.930 1.00 10.24 H new ATOM 0 HH TYR A 26 7.983 -14.166 -5.938 1.00 71.14 H new ATOM 414 N PHE A 27 3.487 -11.959 1.043 1.00 74.21 N ATOM 415 CA PHE A 27 2.589 -12.116 2.197 1.00 42.24 C ATOM 416 C PHE A 27 2.409 -13.597 2.518 1.00 34.43 C ATOM 417 O PHE A 27 2.400 -14.440 1.612 1.00 63.42 O ATOM 418 CB PHE A 27 1.225 -11.435 1.918 1.00 4.41 C ATOM 419 CG PHE A 27 1.358 -9.959 1.551 1.00 33.55 C ATOM 420 CD1 PHE A 27 1.908 -9.050 2.460 1.00 43.35 C ATOM 421 CD2 PHE A 27 0.961 -9.482 0.298 1.00 40.54 C ATOM 422 CE1 PHE A 27 2.057 -7.722 2.131 1.00 11.52 C ATOM 423 CE2 PHE A 27 1.109 -8.145 -0.025 1.00 4.42 C ATOM 424 CZ PHE A 27 1.658 -7.270 0.889 1.00 2.43 C ATOM 0 H PHE A 27 3.135 -12.394 0.190 1.00 74.21 H new ATOM 0 HA PHE A 27 3.034 -11.628 3.064 1.00 42.24 H new ATOM 0 HB2 PHE A 27 0.722 -11.961 1.107 1.00 4.41 H new ATOM 0 HB3 PHE A 27 0.591 -11.529 2.800 1.00 4.41 H new ATOM 0 HD1 PHE A 27 2.220 -9.395 3.435 1.00 43.35 H new ATOM 0 HD2 PHE A 27 0.535 -10.163 -0.424 1.00 40.54 H new ATOM 0 HE1 PHE A 27 2.486 -7.034 2.844 1.00 11.52 H new ATOM 0 HE2 PHE A 27 0.794 -7.786 -0.994 1.00 4.42 H new ATOM 0 HZ PHE A 27 1.776 -6.228 0.632 1.00 2.43 H new ATOM 434 N SER A 28 2.255 -13.890 3.815 1.00 64.22 N ATOM 435 CA SER A 28 2.162 -15.255 4.345 1.00 60.20 C ATOM 436 C SER A 28 0.978 -15.370 5.325 1.00 14.53 C ATOM 437 O SER A 28 0.032 -16.129 5.107 1.00 13.53 O ATOM 438 CB SER A 28 3.499 -15.626 5.038 1.00 72.51 C ATOM 439 OG SER A 28 3.847 -14.681 6.038 1.00 2.01 O ATOM 0 H SER A 28 2.190 -13.173 4.537 1.00 64.22 H new ATOM 0 HA SER A 28 1.984 -15.954 3.527 1.00 60.20 H new ATOM 0 HB2 SER A 28 3.415 -16.616 5.485 1.00 72.51 H new ATOM 0 HB3 SER A 28 4.293 -15.679 4.294 1.00 72.51 H new ATOM 0 HG SER A 28 4.821 -14.661 6.145 1.00 2.01 H new ATOM 445 N LYS A 29 1.063 -14.595 6.418 1.00 33.12 N ATOM 446 CA LYS A 29 0.072 -14.551 7.512 1.00 21.41 C ATOM 447 C LYS A 29 -0.125 -13.076 7.919 1.00 45.04 C ATOM 448 O LYS A 29 0.579 -12.206 7.400 1.00 13.13 O ATOM 449 CB LYS A 29 0.588 -15.417 8.703 1.00 32.25 C ATOM 450 CG LYS A 29 0.686 -16.952 8.408 1.00 53.42 C ATOM 451 CD LYS A 29 1.796 -17.660 9.232 1.00 23.14 C ATOM 452 CE LYS A 29 3.202 -17.109 8.892 1.00 11.24 C ATOM 453 NZ LYS A 29 4.289 -17.831 9.599 1.00 65.32 N ATOM 0 H LYS A 29 1.847 -13.961 6.572 1.00 33.12 H new ATOM 0 HA LYS A 29 -0.889 -14.959 7.197 1.00 21.41 H new ATOM 0 HB2 LYS A 29 1.573 -15.055 8.997 1.00 32.25 H new ATOM 0 HB3 LYS A 29 -0.074 -15.267 9.556 1.00 32.25 H new ATOM 0 HG2 LYS A 29 -0.274 -17.420 8.625 1.00 53.42 H new ATOM 0 HG3 LYS A 29 0.880 -17.100 7.346 1.00 53.42 H new ATOM 0 HD2 LYS A 29 1.600 -17.526 10.296 1.00 23.14 H new ATOM 0 HD3 LYS A 29 1.768 -18.732 9.035 1.00 23.14 H new ATOM 0 HE2 LYS A 29 3.365 -17.180 7.817 1.00 11.24 H new ATOM 0 HE3 LYS A 29 3.245 -16.051 9.152 1.00 11.24 H new ATOM 0 HZ1 LYS A 29 5.134 -17.227 9.646 1.00 65.32 H new ATOM 0 HZ2 LYS A 29 3.979 -18.068 10.563 1.00 65.32 H new ATOM 0 HZ3 LYS A 29 4.517 -18.705 9.084 1.00 65.32 H new ATOM 467 N ALA A 30 -1.057 -12.816 8.848 1.00 50.03 N ATOM 468 CA ALA A 30 -1.483 -11.453 9.220 1.00 33.15 C ATOM 469 C ALA A 30 -0.382 -10.647 9.947 1.00 2.20 C ATOM 470 O ALA A 30 -0.270 -9.442 9.733 1.00 14.33 O ATOM 471 CB ALA A 30 -2.744 -11.529 10.094 1.00 73.53 C ATOM 0 H ALA A 30 -1.541 -13.548 9.367 1.00 50.03 H new ATOM 0 HA ALA A 30 -1.695 -10.921 8.293 1.00 33.15 H new ATOM 0 HB1 ALA A 30 -3.058 -10.522 10.368 1.00 73.53 H new ATOM 0 HB2 ALA A 30 -3.543 -12.019 9.538 1.00 73.53 H new ATOM 0 HB3 ALA A 30 -2.527 -12.100 10.997 1.00 73.53 H new ATOM 477 N GLU A 31 0.410 -11.325 10.814 1.00 75.33 N ATOM 478 CA GLU A 31 1.498 -10.686 11.598 1.00 44.00 C ATOM 479 C GLU A 31 2.620 -10.197 10.673 1.00 10.02 C ATOM 480 O GLU A 31 3.077 -9.051 10.781 1.00 4.20 O ATOM 481 CB GLU A 31 2.073 -11.683 12.638 1.00 11.14 C ATOM 482 CG GLU A 31 1.069 -12.105 13.720 1.00 64.23 C ATOM 483 CD GLU A 31 1.661 -13.127 14.697 1.00 54.14 C ATOM 484 OE1 GLU A 31 1.593 -14.340 14.417 1.00 1.33 O ATOM 485 OE2 GLU A 31 2.208 -12.724 15.744 1.00 63.25 O ATOM 0 H GLU A 31 0.314 -12.325 10.989 1.00 75.33 H new ATOM 0 HA GLU A 31 1.077 -9.828 12.122 1.00 44.00 H new ATOM 0 HB2 GLU A 31 2.425 -12.573 12.117 1.00 11.14 H new ATOM 0 HB3 GLU A 31 2.941 -11.231 13.118 1.00 11.14 H new ATOM 0 HG2 GLU A 31 0.743 -11.224 14.273 1.00 64.23 H new ATOM 0 HG3 GLU A 31 0.184 -12.530 13.246 1.00 64.23 H new ATOM 492 N GLU A 32 3.044 -11.098 9.763 1.00 41.13 N ATOM 493 CA GLU A 32 4.110 -10.816 8.787 1.00 32.13 C ATOM 494 C GLU A 32 3.629 -9.816 7.725 1.00 31.54 C ATOM 495 O GLU A 32 4.390 -8.940 7.334 1.00 2.32 O ATOM 496 CB GLU A 32 4.640 -12.125 8.147 1.00 5.24 C ATOM 497 CG GLU A 32 5.355 -13.051 9.152 1.00 25.42 C ATOM 498 CD GLU A 32 6.018 -14.283 8.510 1.00 52.23 C ATOM 499 OE1 GLU A 32 6.562 -14.169 7.389 1.00 64.43 O ATOM 500 OE2 GLU A 32 5.982 -15.378 9.112 1.00 53.04 O ATOM 0 H GLU A 32 2.656 -12.038 9.686 1.00 41.13 H new ATOM 0 HA GLU A 32 4.944 -10.355 9.316 1.00 32.13 H new ATOM 0 HB2 GLU A 32 3.807 -12.664 7.697 1.00 5.24 H new ATOM 0 HB3 GLU A 32 5.330 -11.874 7.341 1.00 5.24 H new ATOM 0 HG2 GLU A 32 6.116 -12.477 9.681 1.00 25.42 H new ATOM 0 HG3 GLU A 32 4.634 -13.387 9.897 1.00 25.42 H new ATOM 507 N ALA A 33 2.346 -9.913 7.314 1.00 33.34 N ATOM 508 CA ALA A 33 1.735 -8.949 6.381 1.00 41.11 C ATOM 509 C ALA A 33 1.767 -7.549 7.004 1.00 13.41 C ATOM 510 O ALA A 33 2.249 -6.603 6.382 1.00 32.24 O ATOM 511 CB ALA A 33 0.293 -9.363 6.021 1.00 71.31 C ATOM 0 H ALA A 33 1.713 -10.654 7.617 1.00 33.34 H new ATOM 0 HA ALA A 33 2.309 -8.939 5.454 1.00 41.11 H new ATOM 0 HB1 ALA A 33 -0.133 -8.634 5.332 1.00 71.31 H new ATOM 0 HB2 ALA A 33 0.304 -10.346 5.550 1.00 71.31 H new ATOM 0 HB3 ALA A 33 -0.311 -9.402 6.927 1.00 71.31 H new ATOM 517 N LYS A 34 1.334 -7.465 8.279 1.00 41.12 N ATOM 518 CA LYS A 34 1.291 -6.208 9.042 1.00 63.13 C ATOM 519 C LYS A 34 2.715 -5.640 9.277 1.00 22.11 C ATOM 520 O LYS A 34 2.886 -4.425 9.415 1.00 41.31 O ATOM 521 CB LYS A 34 0.538 -6.399 10.383 1.00 4.14 C ATOM 522 CG LYS A 34 0.222 -5.078 11.125 1.00 53.31 C ATOM 523 CD LYS A 34 -0.334 -5.306 12.548 1.00 44.24 C ATOM 524 CE LYS A 34 -0.637 -3.987 13.280 1.00 34.32 C ATOM 525 NZ LYS A 34 -1.050 -4.216 14.691 1.00 62.41 N ATOM 0 H LYS A 34 1.004 -8.273 8.807 1.00 41.12 H new ATOM 0 HA LYS A 34 0.741 -5.479 8.448 1.00 63.13 H new ATOM 0 HB2 LYS A 34 -0.396 -6.927 10.191 1.00 4.14 H new ATOM 0 HB3 LYS A 34 1.136 -7.035 11.035 1.00 4.14 H new ATOM 0 HG2 LYS A 34 1.129 -4.476 11.187 1.00 53.31 H new ATOM 0 HG3 LYS A 34 -0.502 -4.506 10.545 1.00 53.31 H new ATOM 0 HD2 LYS A 34 -1.245 -5.902 12.488 1.00 44.24 H new ATOM 0 HD3 LYS A 34 0.386 -5.883 13.128 1.00 44.24 H new ATOM 0 HE2 LYS A 34 0.247 -3.350 13.260 1.00 34.32 H new ATOM 0 HE3 LYS A 34 -1.427 -3.453 12.753 1.00 34.32 H new ATOM 0 HZ1 LYS A 34 -1.245 -3.302 15.148 1.00 62.41 H new ATOM 0 HZ2 LYS A 34 -1.908 -4.803 14.711 1.00 62.41 H new ATOM 0 HZ3 LYS A 34 -0.286 -4.703 15.202 1.00 62.41 H new ATOM 539 N GLU A 35 3.722 -6.527 9.334 1.00 71.15 N ATOM 540 CA GLU A 35 5.139 -6.127 9.394 1.00 32.04 C ATOM 541 C GLU A 35 5.518 -5.328 8.119 1.00 75.41 C ATOM 542 O GLU A 35 6.154 -4.276 8.208 1.00 72.24 O ATOM 543 CB GLU A 35 6.034 -7.383 9.561 1.00 30.53 C ATOM 544 CG GLU A 35 7.552 -7.118 9.584 1.00 23.44 C ATOM 545 CD GLU A 35 8.005 -6.214 10.748 1.00 73.42 C ATOM 546 OE1 GLU A 35 8.270 -6.736 11.856 1.00 55.53 O ATOM 547 OE2 GLU A 35 8.121 -4.982 10.563 1.00 35.52 O ATOM 0 H GLU A 35 3.579 -7.537 9.340 1.00 71.15 H new ATOM 0 HA GLU A 35 5.299 -5.480 10.256 1.00 32.04 H new ATOM 0 HB2 GLU A 35 5.756 -7.885 10.488 1.00 30.53 H new ATOM 0 HB3 GLU A 35 5.816 -8.074 8.747 1.00 30.53 H new ATOM 0 HG2 GLU A 35 8.077 -8.071 9.650 1.00 23.44 H new ATOM 0 HG3 GLU A 35 7.846 -6.656 8.641 1.00 23.44 H new ATOM 554 N LEU A 36 5.076 -5.827 6.939 1.00 51.03 N ATOM 555 CA LEU A 36 5.265 -5.123 5.651 1.00 54.52 C ATOM 556 C LEU A 36 4.389 -3.853 5.575 1.00 53.12 C ATOM 557 O LEU A 36 4.766 -2.890 4.923 1.00 33.44 O ATOM 558 CB LEU A 36 5.007 -6.057 4.429 1.00 33.33 C ATOM 559 CG LEU A 36 6.130 -7.109 4.082 1.00 14.31 C ATOM 560 CD1 LEU A 36 7.551 -6.493 4.101 1.00 22.44 C ATOM 561 CD2 LEU A 36 6.059 -8.381 4.946 1.00 51.52 C ATOM 0 H LEU A 36 4.585 -6.717 6.855 1.00 51.03 H new ATOM 0 HA LEU A 36 6.310 -4.816 5.605 1.00 54.52 H new ATOM 0 HB2 LEU A 36 4.078 -6.599 4.607 1.00 33.33 H new ATOM 0 HB3 LEU A 36 4.847 -5.430 3.552 1.00 33.33 H new ATOM 0 HG LEU A 36 5.924 -7.417 3.057 1.00 14.31 H new ATOM 0 HD11 LEU A 36 8.284 -7.261 3.855 1.00 22.44 H new ATOM 0 HD12 LEU A 36 7.609 -5.689 3.368 1.00 22.44 H new ATOM 0 HD13 LEU A 36 7.762 -6.095 5.094 1.00 22.44 H new ATOM 0 HD21 LEU A 36 6.859 -9.063 4.656 1.00 51.52 H new ATOM 0 HD22 LEU A 36 6.172 -8.114 5.997 1.00 51.52 H new ATOM 0 HD23 LEU A 36 5.095 -8.868 4.798 1.00 51.52 H new ATOM 573 N LEU A 37 3.210 -3.877 6.234 1.00 62.11 N ATOM 574 CA LEU A 37 2.318 -2.694 6.363 1.00 42.45 C ATOM 575 C LEU A 37 3.056 -1.533 7.033 1.00 30.24 C ATOM 576 O LEU A 37 3.006 -0.401 6.550 1.00 15.42 O ATOM 577 CB LEU A 37 1.020 -3.099 7.146 1.00 23.13 C ATOM 578 CG LEU A 37 0.057 -1.971 7.711 1.00 3.14 C ATOM 579 CD1 LEU A 37 -1.409 -2.470 7.749 1.00 34.21 C ATOM 580 CD2 LEU A 37 0.480 -1.514 9.145 1.00 72.41 C ATOM 0 H LEU A 37 2.847 -4.713 6.692 1.00 62.11 H new ATOM 0 HA LEU A 37 2.021 -2.350 5.372 1.00 42.45 H new ATOM 0 HB2 LEU A 37 0.427 -3.733 6.487 1.00 23.13 H new ATOM 0 HB3 LEU A 37 1.328 -3.716 7.990 1.00 23.13 H new ATOM 0 HG LEU A 37 0.137 -1.118 7.037 1.00 3.14 H new ATOM 0 HD11 LEU A 37 -2.052 -1.681 8.140 1.00 34.21 H new ATOM 0 HD12 LEU A 37 -1.730 -2.734 6.741 1.00 34.21 H new ATOM 0 HD13 LEU A 37 -1.478 -3.347 8.393 1.00 34.21 H new ATOM 0 HD21 LEU A 37 -0.203 -0.741 9.497 1.00 72.41 H new ATOM 0 HD22 LEU A 37 0.445 -2.366 9.824 1.00 72.41 H new ATOM 0 HD23 LEU A 37 1.494 -1.115 9.116 1.00 72.41 H new ATOM 592 N LYS A 38 3.740 -1.858 8.144 1.00 50.03 N ATOM 593 CA LYS A 38 4.539 -0.917 8.934 1.00 53.12 C ATOM 594 C LYS A 38 5.644 -0.288 8.066 1.00 42.44 C ATOM 595 O LYS A 38 5.788 0.938 8.016 1.00 65.11 O ATOM 596 CB LYS A 38 5.150 -1.682 10.143 1.00 44.52 C ATOM 597 CG LYS A 38 6.214 -0.891 10.920 1.00 23.34 C ATOM 598 CD LYS A 38 6.887 -1.704 12.044 1.00 61.30 C ATOM 599 CE LYS A 38 8.156 -1.001 12.558 1.00 41.43 C ATOM 600 NZ LYS A 38 7.882 0.371 13.068 1.00 21.33 N ATOM 0 H LYS A 38 3.750 -2.805 8.523 1.00 50.03 H new ATOM 0 HA LYS A 38 3.907 -0.107 9.298 1.00 53.12 H new ATOM 0 HB2 LYS A 38 4.347 -1.957 10.827 1.00 44.52 H new ATOM 0 HB3 LYS A 38 5.595 -2.610 9.784 1.00 44.52 H new ATOM 0 HG2 LYS A 38 6.979 -0.546 10.224 1.00 23.34 H new ATOM 0 HG3 LYS A 38 5.752 -0.003 11.352 1.00 23.34 H new ATOM 0 HD2 LYS A 38 6.186 -1.841 12.867 1.00 61.30 H new ATOM 0 HD3 LYS A 38 7.143 -2.697 11.675 1.00 61.30 H new ATOM 0 HE2 LYS A 38 8.601 -1.598 13.354 1.00 41.43 H new ATOM 0 HE3 LYS A 38 8.888 -0.946 11.753 1.00 41.43 H new ATOM 0 HZ1 LYS A 38 8.639 0.656 13.722 1.00 21.33 H new ATOM 0 HZ2 LYS A 38 7.845 1.037 12.270 1.00 21.33 H new ATOM 0 HZ3 LYS A 38 6.971 0.380 13.569 1.00 21.33 H new ATOM 614 N LYS A 39 6.392 -1.167 7.371 1.00 50.03 N ATOM 615 CA LYS A 39 7.540 -0.778 6.547 1.00 0.21 C ATOM 616 C LYS A 39 7.125 0.152 5.386 1.00 2.53 C ATOM 617 O LYS A 39 7.643 1.262 5.283 1.00 75.42 O ATOM 618 CB LYS A 39 8.256 -2.046 6.018 1.00 61.22 C ATOM 619 CG LYS A 39 8.871 -2.924 7.131 1.00 13.04 C ATOM 620 CD LYS A 39 9.577 -4.183 6.565 1.00 44.44 C ATOM 621 CE LYS A 39 10.213 -5.054 7.659 1.00 52.33 C ATOM 622 NZ LYS A 39 10.906 -6.257 7.110 1.00 64.43 N ATOM 0 H LYS A 39 6.211 -2.171 7.369 1.00 50.03 H new ATOM 0 HA LYS A 39 8.233 -0.212 7.170 1.00 0.21 H new ATOM 0 HB2 LYS A 39 7.544 -2.643 5.449 1.00 61.22 H new ATOM 0 HB3 LYS A 39 9.044 -1.746 5.328 1.00 61.22 H new ATOM 0 HG2 LYS A 39 9.588 -2.334 7.702 1.00 13.04 H new ATOM 0 HG3 LYS A 39 8.087 -3.230 7.824 1.00 13.04 H new ATOM 0 HD2 LYS A 39 8.854 -4.779 6.007 1.00 44.44 H new ATOM 0 HD3 LYS A 39 10.348 -3.875 5.859 1.00 44.44 H new ATOM 0 HE2 LYS A 39 10.927 -4.455 8.224 1.00 52.33 H new ATOM 0 HE3 LYS A 39 9.440 -5.373 8.358 1.00 52.33 H new ATOM 0 HZ1 LYS A 39 11.316 -6.808 7.891 1.00 64.43 H new ATOM 0 HZ2 LYS A 39 10.222 -6.846 6.593 1.00 64.43 H new ATOM 0 HZ3 LYS A 39 11.663 -5.957 6.463 1.00 64.43 H new ATOM 636 N VAL A 40 6.136 -0.286 4.576 1.00 54.51 N ATOM 637 CA VAL A 40 5.657 0.461 3.387 1.00 2.12 C ATOM 638 C VAL A 40 5.078 1.830 3.785 1.00 44.01 C ATOM 639 O VAL A 40 5.316 2.822 3.092 1.00 41.13 O ATOM 640 CB VAL A 40 4.587 -0.374 2.581 1.00 54.22 C ATOM 641 CG1 VAL A 40 3.933 0.434 1.428 1.00 3.41 C ATOM 642 CG2 VAL A 40 5.228 -1.663 2.031 1.00 22.22 C ATOM 0 H VAL A 40 5.646 -1.168 4.726 1.00 54.51 H new ATOM 0 HA VAL A 40 6.518 0.629 2.740 1.00 2.12 H new ATOM 0 HB VAL A 40 3.789 -0.627 3.280 1.00 54.22 H new ATOM 0 HG11 VAL A 40 3.207 -0.193 0.911 1.00 3.41 H new ATOM 0 HG12 VAL A 40 3.430 1.310 1.837 1.00 3.41 H new ATOM 0 HG13 VAL A 40 4.703 0.753 0.725 1.00 3.41 H new ATOM 0 HG21 VAL A 40 4.482 -2.232 1.476 1.00 22.22 H new ATOM 0 HG22 VAL A 40 6.054 -1.405 1.368 1.00 22.22 H new ATOM 0 HG23 VAL A 40 5.602 -2.265 2.859 1.00 22.22 H new ATOM 652 N ALA A 41 4.349 1.861 4.916 1.00 12.35 N ATOM 653 CA ALA A 41 3.729 3.085 5.440 1.00 3.42 C ATOM 654 C ALA A 41 4.790 4.164 5.721 1.00 33.44 C ATOM 655 O ALA A 41 4.625 5.316 5.314 1.00 41.44 O ATOM 656 CB ALA A 41 2.934 2.783 6.715 1.00 51.13 C ATOM 0 H ALA A 41 4.175 1.036 5.490 1.00 12.35 H new ATOM 0 HA ALA A 41 3.045 3.465 4.681 1.00 3.42 H new ATOM 0 HB1 ALA A 41 2.482 3.702 7.088 1.00 51.13 H new ATOM 0 HB2 ALA A 41 2.151 2.058 6.492 1.00 51.13 H new ATOM 0 HB3 ALA A 41 3.603 2.374 7.472 1.00 51.13 H new ATOM 662 N GLU A 42 5.887 3.749 6.395 1.00 1.52 N ATOM 663 CA GLU A 42 6.975 4.646 6.816 1.00 5.13 C ATOM 664 C GLU A 42 7.867 5.069 5.630 1.00 20.44 C ATOM 665 O GLU A 42 8.214 6.244 5.522 1.00 14.03 O ATOM 666 CB GLU A 42 7.820 3.982 7.933 1.00 5.01 C ATOM 667 CG GLU A 42 7.050 3.771 9.252 1.00 14.14 C ATOM 668 CD GLU A 42 7.929 3.166 10.360 1.00 53.13 C ATOM 669 OE1 GLU A 42 8.712 3.917 10.979 1.00 21.54 O ATOM 670 OE2 GLU A 42 7.858 1.948 10.608 1.00 31.33 O ATOM 0 H GLU A 42 6.038 2.776 6.661 1.00 1.52 H new ATOM 0 HA GLU A 42 6.519 5.553 7.213 1.00 5.13 H new ATOM 0 HB2 GLU A 42 8.183 3.018 7.577 1.00 5.01 H new ATOM 0 HB3 GLU A 42 8.696 4.600 8.129 1.00 5.01 H new ATOM 0 HG2 GLU A 42 6.650 4.726 9.592 1.00 14.14 H new ATOM 0 HG3 GLU A 42 6.198 3.115 9.070 1.00 14.14 H new ATOM 677 N LYS A 43 8.206 4.115 4.727 1.00 21.11 N ATOM 678 CA LYS A 43 9.124 4.395 3.582 1.00 44.23 C ATOM 679 C LYS A 43 8.447 5.317 2.558 1.00 33.50 C ATOM 680 O LYS A 43 9.099 6.171 1.948 1.00 31.01 O ATOM 681 CB LYS A 43 9.624 3.092 2.889 1.00 0.14 C ATOM 682 CG LYS A 43 10.310 2.079 3.837 1.00 23.04 C ATOM 683 CD LYS A 43 11.447 2.680 4.714 1.00 54.20 C ATOM 684 CE LYS A 43 12.015 1.651 5.714 1.00 15.31 C ATOM 685 NZ LYS A 43 13.032 2.250 6.617 1.00 12.20 N ATOM 0 H LYS A 43 7.865 3.154 4.764 1.00 21.11 H new ATOM 0 HA LYS A 43 9.999 4.899 3.993 1.00 44.23 H new ATOM 0 HB2 LYS A 43 8.776 2.603 2.409 1.00 0.14 H new ATOM 0 HB3 LYS A 43 10.325 3.362 2.099 1.00 0.14 H new ATOM 0 HG2 LYS A 43 9.554 1.645 4.492 1.00 23.04 H new ATOM 0 HG3 LYS A 43 10.721 1.264 3.241 1.00 23.04 H new ATOM 0 HD2 LYS A 43 12.249 3.040 4.070 1.00 54.20 H new ATOM 0 HD3 LYS A 43 11.065 3.543 5.260 1.00 54.20 H new ATOM 0 HE2 LYS A 43 11.201 1.238 6.309 1.00 15.31 H new ATOM 0 HE3 LYS A 43 12.462 0.822 5.165 1.00 15.31 H new ATOM 0 HZ1 LYS A 43 13.386 1.523 7.271 1.00 12.20 H new ATOM 0 HZ2 LYS A 43 13.822 2.622 6.052 1.00 12.20 H new ATOM 0 HZ3 LYS A 43 12.600 3.025 7.160 1.00 12.20 H new ATOM 699 N ALA A 44 7.126 5.122 2.393 1.00 13.33 N ATOM 700 CA ALA A 44 6.281 5.993 1.571 1.00 41.13 C ATOM 701 C ALA A 44 6.114 7.357 2.245 1.00 74.23 C ATOM 702 O ALA A 44 6.086 8.380 1.563 1.00 42.03 O ATOM 703 CB ALA A 44 4.917 5.345 1.326 1.00 10.34 C ATOM 0 H ALA A 44 6.618 4.353 2.829 1.00 13.33 H new ATOM 0 HA ALA A 44 6.767 6.138 0.606 1.00 41.13 H new ATOM 0 HB1 ALA A 44 4.304 6.007 0.714 1.00 10.34 H new ATOM 0 HB2 ALA A 44 5.053 4.395 0.809 1.00 10.34 H new ATOM 0 HB3 ALA A 44 4.420 5.170 2.280 1.00 10.34 H new ATOM 709 N ALA A 45 6.024 7.353 3.593 1.00 4.22 N ATOM 710 CA ALA A 45 5.916 8.582 4.391 1.00 60.34 C ATOM 711 C ALA A 45 7.186 9.444 4.249 1.00 0.14 C ATOM 712 O ALA A 45 7.107 10.669 4.309 1.00 61.42 O ATOM 713 CB ALA A 45 5.655 8.255 5.864 1.00 23.32 C ATOM 0 H ALA A 45 6.025 6.499 4.151 1.00 4.22 H new ATOM 0 HA ALA A 45 5.069 9.154 4.011 1.00 60.34 H new ATOM 0 HB1 ALA A 45 5.579 9.181 6.434 1.00 23.32 H new ATOM 0 HB2 ALA A 45 4.723 7.696 5.953 1.00 23.32 H new ATOM 0 HB3 ALA A 45 6.477 7.655 6.255 1.00 23.32 H new ATOM 719 N ASP A 46 8.353 8.776 4.065 1.00 43.50 N ATOM 720 CA ASP A 46 9.650 9.448 3.809 1.00 43.53 C ATOM 721 C ASP A 46 9.623 10.174 2.449 1.00 72.23 C ATOM 722 O ASP A 46 10.188 11.266 2.316 1.00 72.53 O ATOM 723 CB ASP A 46 10.832 8.434 3.819 1.00 14.22 C ATOM 724 CG ASP A 46 11.095 7.798 5.195 1.00 34.51 C ATOM 725 OD1 ASP A 46 11.278 8.548 6.184 1.00 41.34 O ATOM 726 OD2 ASP A 46 11.169 6.555 5.296 1.00 62.54 O ATOM 0 H ASP A 46 8.420 7.759 4.090 1.00 43.50 H new ATOM 0 HA ASP A 46 9.802 10.170 4.611 1.00 43.53 H new ATOM 0 HB2 ASP A 46 10.626 7.643 3.097 1.00 14.22 H new ATOM 0 HB3 ASP A 46 11.737 8.942 3.485 1.00 14.22 H new ATOM 731 N LYS A 47 8.961 9.539 1.443 1.00 70.43 N ATOM 732 CA LYS A 47 8.801 10.116 0.083 1.00 62.21 C ATOM 733 C LYS A 47 7.947 11.386 0.146 1.00 74.15 C ATOM 734 O LYS A 47 8.264 12.376 -0.503 1.00 21.43 O ATOM 735 CB LYS A 47 8.165 9.089 -0.908 1.00 51.21 C ATOM 736 CG LYS A 47 8.915 7.739 -0.976 1.00 35.12 C ATOM 737 CD LYS A 47 10.422 7.872 -1.333 1.00 44.01 C ATOM 738 CE LYS A 47 11.159 6.523 -1.276 1.00 42.12 C ATOM 739 NZ LYS A 47 12.611 6.699 -1.506 1.00 13.41 N ATOM 0 H LYS A 47 8.528 8.622 1.552 1.00 70.43 H new ATOM 0 HA LYS A 47 9.794 10.367 -0.290 1.00 62.21 H new ATOM 0 HB2 LYS A 47 7.132 8.905 -0.613 1.00 51.21 H new ATOM 0 HB3 LYS A 47 8.138 9.529 -1.905 1.00 51.21 H new ATOM 0 HG2 LYS A 47 8.823 7.235 -0.014 1.00 35.12 H new ATOM 0 HG3 LYS A 47 8.431 7.103 -1.717 1.00 35.12 H new ATOM 0 HD2 LYS A 47 10.520 8.294 -2.333 1.00 44.01 H new ATOM 0 HD3 LYS A 47 10.896 8.571 -0.644 1.00 44.01 H new ATOM 0 HE2 LYS A 47 10.995 6.056 -0.305 1.00 42.12 H new ATOM 0 HE3 LYS A 47 10.748 5.848 -2.027 1.00 42.12 H new ATOM 0 HZ1 LYS A 47 13.084 5.774 -1.462 1.00 13.41 H new ATOM 0 HZ2 LYS A 47 12.765 7.123 -2.443 1.00 13.41 H new ATOM 0 HZ3 LYS A 47 13.005 7.324 -0.774 1.00 13.41 H new ATOM 753 N ILE A 48 6.890 11.333 0.979 1.00 42.15 N ATOM 754 CA ILE A 48 5.962 12.460 1.201 1.00 70.45 C ATOM 755 C ILE A 48 6.657 13.572 2.024 1.00 72.33 C ATOM 756 O ILE A 48 6.391 14.764 1.832 1.00 4.43 O ATOM 757 CB ILE A 48 4.651 11.995 1.941 1.00 1.54 C ATOM 758 CG1 ILE A 48 3.999 10.772 1.215 1.00 14.24 C ATOM 759 CG2 ILE A 48 3.634 13.162 2.044 1.00 70.20 C ATOM 760 CD1 ILE A 48 3.118 9.908 2.093 1.00 23.50 C ATOM 0 H ILE A 48 6.654 10.502 1.521 1.00 42.15 H new ATOM 0 HA ILE A 48 5.680 12.851 0.223 1.00 70.45 H new ATOM 0 HB ILE A 48 4.930 11.686 2.948 1.00 1.54 H new ATOM 0 HG12 ILE A 48 3.405 11.139 0.378 1.00 14.24 H new ATOM 0 HG13 ILE A 48 4.791 10.151 0.796 1.00 14.24 H new ATOM 0 HG21 ILE A 48 2.737 12.818 2.558 1.00 70.20 H new ATOM 0 HG22 ILE A 48 4.080 13.985 2.603 1.00 70.20 H new ATOM 0 HG23 ILE A 48 3.370 13.504 1.043 1.00 70.20 H new ATOM 0 HD11 ILE A 48 2.711 9.087 1.504 1.00 23.50 H new ATOM 0 HD12 ILE A 48 3.708 9.506 2.917 1.00 23.50 H new ATOM 0 HD13 ILE A 48 2.300 10.509 2.491 1.00 23.50 H new ATOM 772 N LYS A 49 7.550 13.156 2.938 1.00 55.21 N ATOM 773 CA LYS A 49 8.273 14.071 3.841 1.00 44.05 C ATOM 774 C LYS A 49 9.219 15.005 3.056 1.00 0.22 C ATOM 775 O LYS A 49 9.252 16.219 3.296 1.00 35.30 O ATOM 776 CB LYS A 49 9.069 13.248 4.890 1.00 1.43 C ATOM 777 CG LYS A 49 9.878 14.093 5.899 1.00 12.32 C ATOM 778 CD LYS A 49 10.749 13.226 6.840 1.00 74.11 C ATOM 779 CE LYS A 49 11.649 14.067 7.765 1.00 61.43 C ATOM 780 NZ LYS A 49 12.519 13.220 8.629 1.00 24.25 N ATOM 0 H LYS A 49 7.792 12.174 3.073 1.00 55.21 H new ATOM 0 HA LYS A 49 7.543 14.698 4.353 1.00 44.05 H new ATOM 0 HB2 LYS A 49 8.371 12.618 5.442 1.00 1.43 H new ATOM 0 HB3 LYS A 49 9.753 12.582 4.365 1.00 1.43 H new ATOM 0 HG2 LYS A 49 10.518 14.787 5.355 1.00 12.32 H new ATOM 0 HG3 LYS A 49 9.192 14.694 6.496 1.00 12.32 H new ATOM 0 HD2 LYS A 49 10.101 12.594 7.448 1.00 74.11 H new ATOM 0 HD3 LYS A 49 11.372 12.561 6.241 1.00 74.11 H new ATOM 0 HE2 LYS A 49 12.272 14.726 7.161 1.00 61.43 H new ATOM 0 HE3 LYS A 49 11.026 14.704 8.393 1.00 61.43 H new ATOM 0 HZ1 LYS A 49 13.106 13.829 9.234 1.00 24.25 H new ATOM 0 HZ2 LYS A 49 11.926 12.609 9.226 1.00 24.25 H new ATOM 0 HZ3 LYS A 49 13.133 12.630 8.032 1.00 24.25 H new ATOM 794 N LYS A 50 9.975 14.419 2.113 1.00 5.12 N ATOM 795 CA LYS A 50 10.947 15.165 1.290 1.00 33.45 C ATOM 796 C LYS A 50 10.232 16.026 0.226 1.00 20.30 C ATOM 797 O LYS A 50 10.749 17.075 -0.181 1.00 54.20 O ATOM 798 CB LYS A 50 11.955 14.189 0.630 1.00 32.50 C ATOM 799 CG LYS A 50 11.331 13.146 -0.327 1.00 40.33 C ATOM 800 CD LYS A 50 12.391 12.265 -1.030 1.00 1.52 C ATOM 801 CE LYS A 50 13.321 13.068 -1.971 1.00 41.33 C ATOM 802 NZ LYS A 50 14.343 12.195 -2.609 1.00 24.13 N ATOM 0 H LYS A 50 9.932 13.423 1.899 1.00 5.12 H new ATOM 0 HA LYS A 50 11.499 15.841 1.943 1.00 33.45 H new ATOM 0 HB2 LYS A 50 12.691 14.772 0.076 1.00 32.50 H new ATOM 0 HB3 LYS A 50 12.493 13.660 1.417 1.00 32.50 H new ATOM 0 HG2 LYS A 50 10.649 12.507 0.234 1.00 40.33 H new ATOM 0 HG3 LYS A 50 10.736 13.662 -1.081 1.00 40.33 H new ATOM 0 HD2 LYS A 50 12.995 11.762 -0.275 1.00 1.52 H new ATOM 0 HD3 LYS A 50 11.886 11.488 -1.604 1.00 1.52 H new ATOM 0 HE2 LYS A 50 12.725 13.555 -2.743 1.00 41.33 H new ATOM 0 HE3 LYS A 50 13.817 13.857 -1.406 1.00 41.33 H new ATOM 0 HZ1 LYS A 50 14.948 12.767 -3.232 1.00 24.13 H new ATOM 0 HZ2 LYS A 50 14.927 11.750 -1.873 1.00 24.13 H new ATOM 0 HZ3 LYS A 50 13.869 11.457 -3.168 1.00 24.13 H new ATOM 816 N GLN A 51 9.050 15.547 -0.217 1.00 13.12 N ATOM 817 CA GLN A 51 8.186 16.226 -1.197 1.00 34.13 C ATOM 818 C GLN A 51 6.788 15.584 -1.154 1.00 53.12 C ATOM 819 O GLN A 51 6.683 14.365 -1.243 1.00 45.33 O ATOM 820 CB GLN A 51 8.803 16.156 -2.628 1.00 41.42 C ATOM 821 CG GLN A 51 9.128 14.724 -3.127 1.00 22.24 C ATOM 822 CD GLN A 51 9.906 14.681 -4.442 1.00 53.20 C ATOM 823 OE1 GLN A 51 9.788 15.567 -5.289 1.00 1.43 O ATOM 824 NE2 GLN A 51 10.671 13.614 -4.645 1.00 25.24 N ATOM 0 H GLN A 51 8.665 14.659 0.105 1.00 13.12 H new ATOM 0 HA GLN A 51 8.101 17.282 -0.941 1.00 34.13 H new ATOM 0 HB2 GLN A 51 8.111 16.622 -3.330 1.00 41.42 H new ATOM 0 HB3 GLN A 51 9.719 16.747 -2.643 1.00 41.42 H new ATOM 0 HG2 GLN A 51 9.704 14.206 -2.360 1.00 22.24 H new ATOM 0 HG3 GLN A 51 8.195 14.174 -3.251 1.00 22.24 H new ATOM 0 HE21 GLN A 51 10.748 12.897 -3.924 1.00 25.24 H new ATOM 0 HE22 GLN A 51 11.181 13.512 -5.522 1.00 25.24 H new ATOM 833 N GLY A 52 5.734 16.409 -1.003 1.00 63.10 N ATOM 834 CA GLY A 52 4.353 15.912 -0.839 1.00 64.05 C ATOM 835 C GLY A 52 3.938 14.918 -1.930 1.00 11.52 C ATOM 836 O GLY A 52 4.372 15.054 -3.078 1.00 15.11 O ATOM 0 H GLY A 52 5.813 17.426 -0.991 1.00 63.10 H new ATOM 0 HA2 GLY A 52 4.259 15.433 0.136 1.00 64.05 H new ATOM 0 HA3 GLY A 52 3.666 16.758 -0.846 1.00 64.05 H new ATOM 840 N CYS A 53 3.141 13.897 -1.567 1.00 21.53 N ATOM 841 CA CYS A 53 2.618 12.913 -2.536 1.00 2.34 C ATOM 842 C CYS A 53 1.562 13.561 -3.451 1.00 70.01 C ATOM 843 O CYS A 53 1.113 14.697 -3.209 1.00 22.35 O ATOM 844 CB CYS A 53 2.029 11.684 -1.798 1.00 0.45 C ATOM 845 SG CYS A 53 0.818 12.113 -0.533 1.00 34.10 S ATOM 0 H CYS A 53 2.843 13.730 -0.606 1.00 21.53 H new ATOM 0 HA CYS A 53 3.444 12.572 -3.161 1.00 2.34 H new ATOM 0 HB2 CYS A 53 1.561 11.023 -2.527 1.00 0.45 H new ATOM 0 HB3 CYS A 53 2.842 11.124 -1.336 1.00 0.45 H new ATOM 0 HG CYS A 53 -0.133 12.821 -1.065 1.00 34.10 H new ATOM 851 N LYS A 54 1.174 12.830 -4.503 1.00 74.13 N ATOM 852 CA LYS A 54 0.141 13.269 -5.456 1.00 24.52 C ATOM 853 C LYS A 54 -0.768 12.062 -5.755 1.00 72.23 C ATOM 854 O LYS A 54 -2.000 12.154 -5.647 1.00 71.53 O ATOM 855 CB LYS A 54 0.839 13.852 -6.738 1.00 21.13 C ATOM 856 CG LYS A 54 -0.031 14.742 -7.673 1.00 32.34 C ATOM 857 CD LYS A 54 -1.090 13.963 -8.491 1.00 53.31 C ATOM 858 CE LYS A 54 -1.774 14.850 -9.545 1.00 24.41 C ATOM 859 NZ LYS A 54 -2.449 16.044 -8.959 1.00 33.44 N ATOM 0 H LYS A 54 1.567 11.914 -4.720 1.00 74.13 H new ATOM 0 HA LYS A 54 -0.482 14.066 -5.050 1.00 24.52 H new ATOM 0 HB2 LYS A 54 1.701 14.438 -6.418 1.00 21.13 H new ATOM 0 HB3 LYS A 54 1.222 13.017 -7.325 1.00 21.13 H new ATOM 0 HG2 LYS A 54 -0.537 15.496 -7.070 1.00 32.34 H new ATOM 0 HG3 LYS A 54 0.625 15.273 -8.363 1.00 32.34 H new ATOM 0 HD2 LYS A 54 -0.615 13.115 -8.984 1.00 53.31 H new ATOM 0 HD3 LYS A 54 -1.843 13.557 -7.815 1.00 53.31 H new ATOM 0 HE2 LYS A 54 -1.030 15.180 -10.270 1.00 24.41 H new ATOM 0 HE3 LYS A 54 -2.508 14.256 -10.089 1.00 24.41 H new ATOM 0 HZ1 LYS A 54 -2.847 16.628 -9.722 1.00 33.44 H new ATOM 0 HZ2 LYS A 54 -3.214 15.735 -8.326 1.00 33.44 H new ATOM 0 HZ3 LYS A 54 -1.758 16.604 -8.420 1.00 33.44 H new ATOM 873 N ARG A 55 -0.142 10.929 -6.106 1.00 14.14 N ATOM 874 CA ARG A 55 -0.856 9.675 -6.372 1.00 54.32 C ATOM 875 C ARG A 55 -0.014 8.497 -5.864 1.00 21.14 C ATOM 876 O ARG A 55 1.189 8.447 -6.094 1.00 12.14 O ATOM 877 CB ARG A 55 -1.140 9.534 -7.890 1.00 65.12 C ATOM 878 CG ARG A 55 -2.058 8.348 -8.275 1.00 31.31 C ATOM 879 CD ARG A 55 -2.323 8.273 -9.797 1.00 70.33 C ATOM 880 NE ARG A 55 -2.730 9.587 -10.354 1.00 42.44 N ATOM 881 CZ ARG A 55 -3.950 9.914 -10.818 1.00 30.11 C ATOM 882 NH1 ARG A 55 -4.949 9.035 -10.820 1.00 40.24 N ATOM 883 NH2 ARG A 55 -4.163 11.142 -11.269 1.00 65.55 N ATOM 0 H ARG A 55 0.870 10.858 -6.213 1.00 14.14 H new ATOM 0 HA ARG A 55 -1.812 9.679 -5.849 1.00 54.32 H new ATOM 0 HB2 ARG A 55 -1.596 10.458 -8.247 1.00 65.12 H new ATOM 0 HB3 ARG A 55 -0.190 9.424 -8.414 1.00 65.12 H new ATOM 0 HG2 ARG A 55 -1.600 7.416 -7.943 1.00 31.31 H new ATOM 0 HG3 ARG A 55 -3.008 8.442 -7.748 1.00 31.31 H new ATOM 0 HD2 ARG A 55 -1.423 7.926 -10.305 1.00 70.33 H new ATOM 0 HD3 ARG A 55 -3.103 7.538 -9.994 1.00 70.33 H new ATOM 0 HE ARG A 55 -2.015 10.313 -10.388 1.00 42.44 H new ATOM 0 HH11 ARG A 55 -4.798 8.091 -10.465 1.00 40.24 H new ATOM 0 HH12 ARG A 55 -5.866 9.305 -11.177 1.00 40.24 H new ATOM 0 HH21 ARG A 55 -3.407 11.826 -11.262 1.00 65.55 H new ATOM 0 HH22 ARG A 55 -5.083 11.403 -11.623 1.00 65.55 H new ATOM 897 N VAL A 56 -0.647 7.581 -5.142 1.00 35.33 N ATOM 898 CA VAL A 56 -0.042 6.304 -4.737 1.00 42.12 C ATOM 899 C VAL A 56 -0.821 5.188 -5.443 1.00 72.44 C ATOM 900 O VAL A 56 -2.033 5.307 -5.615 1.00 34.30 O ATOM 901 CB VAL A 56 -0.089 6.111 -3.174 1.00 35.50 C ATOM 902 CG1 VAL A 56 0.498 4.747 -2.732 1.00 74.31 C ATOM 903 CG2 VAL A 56 0.642 7.274 -2.458 1.00 22.44 C ATOM 0 H VAL A 56 -1.606 7.699 -4.814 1.00 35.33 H new ATOM 0 HA VAL A 56 1.010 6.284 -5.021 1.00 42.12 H new ATOM 0 HB VAL A 56 -1.139 6.119 -2.882 1.00 35.50 H new ATOM 0 HG11 VAL A 56 0.443 4.662 -1.647 1.00 74.31 H new ATOM 0 HG12 VAL A 56 -0.074 3.939 -3.189 1.00 74.31 H new ATOM 0 HG13 VAL A 56 1.539 4.679 -3.049 1.00 74.31 H new ATOM 0 HG21 VAL A 56 0.598 7.122 -1.380 1.00 22.44 H new ATOM 0 HG22 VAL A 56 1.683 7.301 -2.779 1.00 22.44 H new ATOM 0 HG23 VAL A 56 0.159 8.218 -2.711 1.00 22.44 H new ATOM 913 N LYS A 57 -0.124 4.139 -5.883 1.00 52.34 N ATOM 914 CA LYS A 57 -0.731 2.989 -6.555 1.00 50.45 C ATOM 915 C LYS A 57 -0.163 1.704 -5.950 1.00 12.22 C ATOM 916 O LYS A 57 1.045 1.479 -5.983 1.00 34.14 O ATOM 917 CB LYS A 57 -0.468 3.015 -8.089 1.00 5.43 C ATOM 918 CG LYS A 57 -1.109 4.206 -8.861 1.00 72.03 C ATOM 919 CD LYS A 57 -1.283 3.916 -10.374 1.00 22.45 C ATOM 920 CE LYS A 57 -2.219 2.712 -10.618 1.00 25.54 C ATOM 921 NZ LYS A 57 -2.408 2.396 -12.052 1.00 0.31 N ATOM 0 H LYS A 57 0.888 4.063 -5.782 1.00 52.34 H new ATOM 0 HA LYS A 57 -1.810 3.032 -6.407 1.00 50.45 H new ATOM 0 HB2 LYS A 57 0.609 3.035 -8.255 1.00 5.43 H new ATOM 0 HB3 LYS A 57 -0.839 2.085 -8.519 1.00 5.43 H new ATOM 0 HG2 LYS A 57 -2.082 4.434 -8.425 1.00 72.03 H new ATOM 0 HG3 LYS A 57 -0.487 5.092 -8.735 1.00 72.03 H new ATOM 0 HD2 LYS A 57 -1.687 4.798 -10.870 1.00 22.45 H new ATOM 0 HD3 LYS A 57 -0.309 3.717 -10.821 1.00 22.45 H new ATOM 0 HE2 LYS A 57 -1.813 1.837 -10.111 1.00 25.54 H new ATOM 0 HE3 LYS A 57 -3.190 2.919 -10.168 1.00 25.54 H new ATOM 0 HZ1 LYS A 57 -3.004 1.549 -12.145 1.00 0.31 H new ATOM 0 HZ2 LYS A 57 -2.869 3.198 -12.526 1.00 0.31 H new ATOM 0 HZ3 LYS A 57 -1.483 2.218 -12.493 1.00 0.31 H new ATOM 935 N ILE A 58 -1.044 0.883 -5.385 1.00 71.22 N ATOM 936 CA ILE A 58 -0.709 -0.453 -4.899 1.00 55.43 C ATOM 937 C ILE A 58 -1.205 -1.446 -5.960 1.00 60.05 C ATOM 938 O ILE A 58 -2.400 -1.561 -6.183 1.00 52.42 O ATOM 939 CB ILE A 58 -1.403 -0.736 -3.505 1.00 73.41 C ATOM 940 CG1 ILE A 58 -0.918 0.299 -2.431 1.00 22.33 C ATOM 941 CG2 ILE A 58 -1.168 -2.198 -3.034 1.00 53.14 C ATOM 942 CD1 ILE A 58 -1.615 0.209 -1.076 1.00 3.50 C ATOM 0 H ILE A 58 -2.024 1.130 -5.250 1.00 71.22 H new ATOM 0 HA ILE A 58 0.366 -0.550 -4.744 1.00 55.43 H new ATOM 0 HB ILE A 58 -2.479 -0.614 -3.633 1.00 73.41 H new ATOM 0 HG12 ILE A 58 0.153 0.165 -2.280 1.00 22.33 H new ATOM 0 HG13 ILE A 58 -1.061 1.304 -2.828 1.00 22.33 H new ATOM 0 HG21 ILE A 58 -1.659 -2.354 -2.074 1.00 53.14 H new ATOM 0 HG22 ILE A 58 -1.581 -2.888 -3.770 1.00 53.14 H new ATOM 0 HG23 ILE A 58 -0.098 -2.379 -2.928 1.00 53.14 H new ATOM 0 HD11 ILE A 58 -1.208 0.966 -0.406 1.00 3.50 H new ATOM 0 HD12 ILE A 58 -2.684 0.376 -1.205 1.00 3.50 H new ATOM 0 HD13 ILE A 58 -1.451 -0.780 -0.648 1.00 3.50 H new ATOM 954 N ARG A 59 -0.276 -2.112 -6.630 1.00 30.53 N ATOM 955 CA ARG A 59 -0.571 -3.159 -7.620 1.00 45.55 C ATOM 956 C ARG A 59 -0.120 -4.494 -7.025 1.00 14.14 C ATOM 957 O ARG A 59 0.921 -4.560 -6.356 1.00 22.45 O ATOM 958 CB ARG A 59 0.150 -2.856 -8.966 1.00 63.34 C ATOM 959 CG ARG A 59 0.045 -3.976 -10.039 1.00 73.53 C ATOM 960 CD ARG A 59 0.764 -3.626 -11.363 1.00 22.12 C ATOM 961 NE ARG A 59 0.759 -4.761 -12.314 1.00 65.44 N ATOM 962 CZ ARG A 59 0.268 -4.732 -13.568 1.00 4.32 C ATOM 963 NH1 ARG A 59 -0.267 -3.619 -14.065 1.00 13.33 N ATOM 964 NH2 ARG A 59 0.322 -5.820 -14.320 1.00 31.51 N ATOM 0 H ARG A 59 0.722 -1.944 -6.505 1.00 30.53 H new ATOM 0 HA ARG A 59 -1.638 -3.197 -7.840 1.00 45.55 H new ATOM 0 HB2 ARG A 59 -0.262 -1.937 -9.382 1.00 63.34 H new ATOM 0 HB3 ARG A 59 1.204 -2.669 -8.761 1.00 63.34 H new ATOM 0 HG2 ARG A 59 0.469 -4.896 -9.636 1.00 73.53 H new ATOM 0 HG3 ARG A 59 -1.007 -4.173 -10.246 1.00 73.53 H new ATOM 0 HD2 ARG A 59 0.278 -2.766 -11.823 1.00 22.12 H new ATOM 0 HD3 ARG A 59 1.793 -3.335 -11.151 1.00 22.12 H new ATOM 0 HE ARG A 59 1.162 -5.641 -11.992 1.00 65.44 H new ATOM 0 HH11 ARG A 59 -0.309 -2.774 -13.495 1.00 13.33 H new ATOM 0 HH12 ARG A 59 -0.635 -3.611 -15.016 1.00 13.33 H new ATOM 0 HH21 ARG A 59 0.734 -6.676 -13.949 1.00 31.51 H new ATOM 0 HH22 ARG A 59 -0.049 -5.802 -15.270 1.00 31.51 H new ATOM 978 N PHE A 60 -0.905 -5.540 -7.257 1.00 62.43 N ATOM 979 CA PHE A 60 -0.686 -6.848 -6.651 1.00 45.40 C ATOM 980 C PHE A 60 -1.329 -7.935 -7.528 1.00 74.13 C ATOM 981 O PHE A 60 -2.413 -7.728 -8.090 1.00 3.02 O ATOM 982 CB PHE A 60 -1.258 -6.844 -5.207 1.00 72.05 C ATOM 983 CG PHE A 60 -1.125 -8.169 -4.469 1.00 21.53 C ATOM 984 CD1 PHE A 60 0.116 -8.612 -4.012 1.00 33.33 C ATOM 985 CD2 PHE A 60 -2.238 -8.985 -4.255 1.00 60.15 C ATOM 986 CE1 PHE A 60 0.234 -9.821 -3.354 1.00 41.50 C ATOM 987 CE2 PHE A 60 -2.113 -10.190 -3.600 1.00 15.33 C ATOM 988 CZ PHE A 60 -0.879 -10.611 -3.155 1.00 34.45 C ATOM 0 H PHE A 60 -1.716 -5.504 -7.875 1.00 62.43 H new ATOM 0 HA PHE A 60 0.380 -7.067 -6.587 1.00 45.40 H new ATOM 0 HB2 PHE A 60 -0.750 -6.070 -4.631 1.00 72.05 H new ATOM 0 HB3 PHE A 60 -2.312 -6.571 -5.249 1.00 72.05 H new ATOM 0 HD1 PHE A 60 0.994 -8.004 -4.174 1.00 33.33 H new ATOM 0 HD2 PHE A 60 -3.208 -8.667 -4.607 1.00 60.15 H new ATOM 0 HE1 PHE A 60 1.199 -10.148 -2.995 1.00 41.50 H new ATOM 0 HE2 PHE A 60 -2.984 -10.806 -3.435 1.00 15.33 H new ATOM 0 HZ PHE A 60 -0.783 -11.561 -2.650 1.00 34.45 H new ATOM 998 N GLU A 61 -0.643 -9.084 -7.646 1.00 22.32 N ATOM 999 CA GLU A 61 -1.085 -10.212 -8.474 1.00 43.14 C ATOM 1000 C GLU A 61 -2.247 -10.959 -7.796 1.00 73.03 C ATOM 1001 O GLU A 61 -2.067 -11.571 -6.747 1.00 43.05 O ATOM 1002 CB GLU A 61 0.085 -11.190 -8.737 1.00 51.42 C ATOM 1003 CG GLU A 61 1.263 -10.562 -9.494 1.00 45.21 C ATOM 1004 CD GLU A 61 2.372 -11.578 -9.804 1.00 53.20 C ATOM 1005 OE1 GLU A 61 3.176 -11.880 -8.907 1.00 41.31 O ATOM 1006 OE2 GLU A 61 2.424 -12.101 -10.943 1.00 71.13 O ATOM 0 H GLU A 61 0.240 -9.255 -7.165 1.00 22.32 H new ATOM 0 HA GLU A 61 -1.430 -9.813 -9.428 1.00 43.14 H new ATOM 0 HB2 GLU A 61 0.444 -11.577 -7.783 1.00 51.42 H new ATOM 0 HB3 GLU A 61 -0.287 -12.042 -9.306 1.00 51.42 H new ATOM 0 HG2 GLU A 61 0.902 -10.128 -10.426 1.00 45.21 H new ATOM 0 HG3 GLU A 61 1.677 -9.746 -8.902 1.00 45.21 H new ATOM 1013 N LYS A 62 -3.429 -10.896 -8.425 1.00 51.11 N ATOM 1014 CA LYS A 62 -4.670 -11.514 -7.907 1.00 52.24 C ATOM 1015 C LYS A 62 -5.004 -12.756 -8.779 1.00 14.34 C ATOM 1016 O LYS A 62 -6.164 -13.064 -9.061 1.00 72.53 O ATOM 1017 CB LYS A 62 -5.803 -10.414 -7.884 1.00 20.43 C ATOM 1018 CG LYS A 62 -6.833 -10.487 -6.704 1.00 31.11 C ATOM 1019 CD LYS A 62 -7.854 -11.651 -6.822 1.00 42.20 C ATOM 1020 CE LYS A 62 -8.728 -11.539 -8.086 1.00 50.02 C ATOM 1021 NZ LYS A 62 -9.678 -12.668 -8.213 1.00 12.05 N ATOM 0 H LYS A 62 -3.558 -10.413 -9.314 1.00 51.11 H new ATOM 0 HA LYS A 62 -4.563 -11.873 -6.884 1.00 52.24 H new ATOM 0 HB2 LYS A 62 -5.325 -9.434 -7.858 1.00 20.43 H new ATOM 0 HB3 LYS A 62 -6.355 -10.475 -8.822 1.00 20.43 H new ATOM 0 HG2 LYS A 62 -6.287 -10.591 -5.766 1.00 31.11 H new ATOM 0 HG3 LYS A 62 -7.378 -9.544 -6.653 1.00 31.11 H new ATOM 0 HD2 LYS A 62 -7.319 -12.600 -6.837 1.00 42.20 H new ATOM 0 HD3 LYS A 62 -8.495 -11.660 -5.940 1.00 42.20 H new ATOM 0 HE2 LYS A 62 -9.283 -10.601 -8.060 1.00 50.02 H new ATOM 0 HE3 LYS A 62 -8.087 -11.505 -8.967 1.00 50.02 H new ATOM 0 HZ1 LYS A 62 -9.890 -12.832 -9.218 1.00 12.05 H new ATOM 0 HZ2 LYS A 62 -9.255 -13.525 -7.804 1.00 12.05 H new ATOM 0 HZ3 LYS A 62 -10.557 -12.440 -7.707 1.00 12.05 H new ATOM 1035 N LYS A 63 -3.943 -13.489 -9.186 1.00 51.35 N ATOM 1036 CA LYS A 63 -4.064 -14.681 -10.053 1.00 14.31 C ATOM 1037 C LYS A 63 -3.398 -15.898 -9.394 1.00 42.30 C ATOM 1038 O LYS A 63 -4.042 -16.933 -9.184 1.00 63.21 O ATOM 1039 CB LYS A 63 -3.446 -14.408 -11.450 1.00 2.13 C ATOM 1040 CG LYS A 63 -4.167 -13.303 -12.259 1.00 75.14 C ATOM 1041 CD LYS A 63 -3.499 -13.002 -13.621 1.00 31.43 C ATOM 1042 CE LYS A 63 -4.234 -11.900 -14.400 1.00 73.33 C ATOM 1043 NZ LYS A 63 -3.553 -11.565 -15.677 1.00 24.02 N ATOM 0 H LYS A 63 -2.982 -13.271 -8.923 1.00 51.35 H new ATOM 0 HA LYS A 63 -5.123 -14.901 -10.186 1.00 14.31 H new ATOM 0 HB2 LYS A 63 -2.401 -14.126 -11.323 1.00 2.13 H new ATOM 0 HB3 LYS A 63 -3.459 -15.332 -12.027 1.00 2.13 H new ATOM 0 HG2 LYS A 63 -5.201 -13.604 -12.429 1.00 75.14 H new ATOM 0 HG3 LYS A 63 -4.194 -12.389 -11.666 1.00 75.14 H new ATOM 0 HD2 LYS A 63 -2.465 -12.700 -13.457 1.00 31.43 H new ATOM 0 HD3 LYS A 63 -3.474 -13.912 -14.220 1.00 31.43 H new ATOM 0 HE2 LYS A 63 -5.254 -12.223 -14.608 1.00 73.33 H new ATOM 0 HE3 LYS A 63 -4.303 -11.005 -13.782 1.00 73.33 H new ATOM 0 HZ1 LYS A 63 -4.084 -10.818 -16.168 1.00 24.02 H new ATOM 0 HZ2 LYS A 63 -2.588 -11.231 -15.479 1.00 24.02 H new ATOM 0 HZ3 LYS A 63 -3.509 -12.411 -16.280 1.00 24.02 H new ATOM 1057 N GLY A 64 -2.110 -15.752 -9.044 1.00 63.53 N ATOM 1058 CA GLY A 64 -1.323 -16.847 -8.459 1.00 21.31 C ATOM 1059 C GLY A 64 -1.487 -16.980 -6.944 1.00 65.51 C ATOM 1060 O GLY A 64 -0.519 -17.292 -6.235 1.00 71.30 O ATOM 0 H GLY A 64 -1.590 -14.882 -9.157 1.00 63.53 H new ATOM 0 HA2 GLY A 64 -1.615 -17.785 -8.931 1.00 21.31 H new ATOM 0 HA3 GLY A 64 -0.269 -16.689 -8.689 1.00 21.31 H new ATOM 1064 N LEU A 65 -2.719 -16.756 -6.455 1.00 53.12 N ATOM 1065 CA LEU A 65 -3.054 -16.835 -5.028 1.00 65.51 C ATOM 1066 C LEU A 65 -4.270 -17.746 -4.798 1.00 21.31 C ATOM 1067 O LEU A 65 -4.795 -18.359 -5.729 1.00 1.11 O ATOM 1068 CB LEU A 65 -3.277 -15.404 -4.434 1.00 0.11 C ATOM 1069 CG LEU A 65 -4.113 -14.343 -5.248 1.00 63.13 C ATOM 1070 CD1 LEU A 65 -5.553 -14.805 -5.554 1.00 61.02 C ATOM 1071 CD2 LEU A 65 -4.136 -13.010 -4.471 1.00 63.24 C ATOM 0 H LEU A 65 -3.514 -16.513 -7.046 1.00 53.12 H new ATOM 0 HA LEU A 65 -2.212 -17.283 -4.500 1.00 65.51 H new ATOM 0 HB2 LEU A 65 -3.760 -15.525 -3.464 1.00 0.11 H new ATOM 0 HB3 LEU A 65 -2.294 -14.971 -4.248 1.00 0.11 H new ATOM 0 HG LEU A 65 -3.622 -14.216 -6.213 1.00 63.13 H new ATOM 0 HD11 LEU A 65 -6.073 -14.029 -6.116 1.00 61.02 H new ATOM 0 HD12 LEU A 65 -5.524 -15.721 -6.143 1.00 61.02 H new ATOM 0 HD13 LEU A 65 -6.082 -14.992 -4.619 1.00 61.02 H new ATOM 0 HD21 LEU A 65 -4.713 -12.273 -5.030 1.00 63.24 H new ATOM 0 HD22 LEU A 65 -4.595 -13.166 -3.495 1.00 63.24 H new ATOM 0 HD23 LEU A 65 -3.116 -12.648 -4.339 1.00 63.24 H new ATOM 1083 N ASP A 66 -4.691 -17.818 -3.530 1.00 62.20 N ATOM 1084 CA ASP A 66 -5.908 -18.517 -3.077 1.00 21.35 C ATOM 1085 C ASP A 66 -6.821 -17.468 -2.406 1.00 51.35 C ATOM 1086 O ASP A 66 -6.397 -16.321 -2.226 1.00 42.14 O ATOM 1087 CB ASP A 66 -5.511 -19.665 -2.092 1.00 52.43 C ATOM 1088 CG ASP A 66 -6.702 -20.539 -1.621 1.00 13.04 C ATOM 1089 OD1 ASP A 66 -7.171 -21.394 -2.399 1.00 71.13 O ATOM 1090 OD2 ASP A 66 -7.182 -20.358 -0.472 1.00 43.11 O ATOM 0 H ASP A 66 -4.181 -17.379 -2.764 1.00 62.20 H new ATOM 0 HA ASP A 66 -6.443 -18.977 -3.908 1.00 21.35 H new ATOM 0 HB2 ASP A 66 -4.774 -20.306 -2.577 1.00 52.43 H new ATOM 0 HB3 ASP A 66 -5.028 -19.228 -1.218 1.00 52.43 H new ATOM 1095 N ASP A 67 -8.072 -17.853 -2.066 1.00 3.42 N ATOM 1096 CA ASP A 67 -9.034 -16.994 -1.322 1.00 11.24 C ATOM 1097 C ASP A 67 -8.443 -16.522 0.029 1.00 62.22 C ATOM 1098 O ASP A 67 -8.735 -15.411 0.494 1.00 53.54 O ATOM 1099 CB ASP A 67 -10.374 -17.755 -1.103 1.00 33.51 C ATOM 1100 CG ASP A 67 -11.430 -16.905 -0.371 1.00 64.04 C ATOM 1101 OD1 ASP A 67 -12.091 -16.078 -1.020 1.00 33.44 O ATOM 1102 OD2 ASP A 67 -11.604 -17.051 0.857 1.00 52.13 O ATOM 0 H ASP A 67 -8.449 -18.772 -2.299 1.00 3.42 H new ATOM 0 HA ASP A 67 -9.229 -16.105 -1.922 1.00 11.24 H new ATOM 0 HB2 ASP A 67 -10.771 -18.067 -2.069 1.00 33.51 H new ATOM 0 HB3 ASP A 67 -10.182 -18.662 -0.529 1.00 33.51 H new ATOM 1107 N ASP A 68 -7.603 -17.392 0.623 1.00 1.21 N ATOM 1108 CA ASP A 68 -6.801 -17.097 1.824 1.00 11.52 C ATOM 1109 C ASP A 68 -5.909 -15.856 1.594 1.00 53.34 C ATOM 1110 O ASP A 68 -5.963 -14.884 2.354 1.00 65.43 O ATOM 1111 CB ASP A 68 -5.932 -18.348 2.181 1.00 41.41 C ATOM 1112 CG ASP A 68 -4.901 -18.081 3.293 1.00 63.01 C ATOM 1113 OD1 ASP A 68 -5.304 -17.908 4.464 1.00 41.23 O ATOM 1114 OD2 ASP A 68 -3.682 -18.043 3.005 1.00 41.41 O ATOM 0 H ASP A 68 -7.461 -18.339 0.273 1.00 1.21 H new ATOM 0 HA ASP A 68 -7.468 -16.874 2.657 1.00 11.52 H new ATOM 0 HB2 ASP A 68 -6.589 -19.160 2.493 1.00 41.41 H new ATOM 0 HB3 ASP A 68 -5.410 -18.686 1.286 1.00 41.41 H new ATOM 1119 N ALA A 69 -5.122 -15.905 0.506 1.00 64.21 N ATOM 1120 CA ALA A 69 -4.179 -14.840 0.145 1.00 54.25 C ATOM 1121 C ALA A 69 -4.908 -13.576 -0.363 1.00 63.11 C ATOM 1122 O ALA A 69 -4.402 -12.463 -0.174 1.00 70.11 O ATOM 1123 CB ALA A 69 -3.187 -15.372 -0.881 1.00 5.53 C ATOM 0 H ALA A 69 -5.124 -16.688 -0.148 1.00 64.21 H new ATOM 0 HA ALA A 69 -3.632 -14.537 1.038 1.00 54.25 H new ATOM 0 HB1 ALA A 69 -2.485 -14.583 -1.151 1.00 5.53 H new ATOM 0 HB2 ALA A 69 -2.641 -16.214 -0.456 1.00 5.53 H new ATOM 0 HB3 ALA A 69 -3.724 -15.700 -1.771 1.00 5.53 H new ATOM 1129 N ARG A 70 -6.099 -13.759 -1.005 1.00 21.33 N ATOM 1130 CA ARG A 70 -6.992 -12.643 -1.392 1.00 21.30 C ATOM 1131 C ARG A 70 -7.346 -11.821 -0.150 1.00 24.53 C ATOM 1132 O ARG A 70 -7.125 -10.621 -0.120 1.00 20.53 O ATOM 1133 CB ARG A 70 -8.317 -13.149 -2.057 1.00 52.32 C ATOM 1134 CG ARG A 70 -9.407 -12.036 -2.269 1.00 5.44 C ATOM 1135 CD ARG A 70 -10.833 -12.588 -2.542 1.00 10.43 C ATOM 1136 NE ARG A 70 -11.093 -12.904 -3.966 1.00 1.30 N ATOM 1137 CZ ARG A 70 -11.562 -14.074 -4.435 1.00 4.42 C ATOM 1138 NH1 ARG A 70 -11.831 -15.089 -3.626 1.00 23.23 N ATOM 1139 NH2 ARG A 70 -11.810 -14.201 -5.713 1.00 53.02 N ATOM 0 H ARG A 70 -6.457 -14.678 -1.263 1.00 21.33 H new ATOM 0 HA ARG A 70 -6.458 -12.035 -2.122 1.00 21.30 H new ATOM 0 HB2 ARG A 70 -8.077 -13.593 -3.023 1.00 52.32 H new ATOM 0 HB3 ARG A 70 -8.740 -13.941 -1.438 1.00 52.32 H new ATOM 0 HG2 ARG A 70 -9.438 -11.400 -1.384 1.00 5.44 H new ATOM 0 HG3 ARG A 70 -9.108 -11.404 -3.105 1.00 5.44 H new ATOM 0 HD2 ARG A 70 -10.983 -13.489 -1.947 1.00 10.43 H new ATOM 0 HD3 ARG A 70 -11.566 -11.856 -2.203 1.00 10.43 H new ATOM 0 HE ARG A 70 -10.900 -12.172 -4.649 1.00 1.30 H new ATOM 0 HH11 ARG A 70 -11.683 -14.993 -2.621 1.00 23.23 H new ATOM 0 HH12 ARG A 70 -12.186 -15.966 -4.008 1.00 23.23 H new ATOM 0 HH21 ARG A 70 -11.647 -13.417 -6.344 1.00 53.02 H new ATOM 0 HH22 ARG A 70 -12.166 -15.084 -6.078 1.00 53.02 H new ATOM 1153 N LYS A 71 -7.839 -12.530 0.886 1.00 74.24 N ATOM 1154 CA LYS A 71 -8.480 -11.932 2.066 1.00 12.35 C ATOM 1155 C LYS A 71 -7.485 -11.078 2.876 1.00 1.33 C ATOM 1156 O LYS A 71 -7.792 -9.943 3.257 1.00 34.35 O ATOM 1157 CB LYS A 71 -9.083 -13.077 2.939 1.00 60.22 C ATOM 1158 CG LYS A 71 -10.032 -12.625 4.078 1.00 30.30 C ATOM 1159 CD LYS A 71 -11.327 -11.947 3.559 1.00 40.15 C ATOM 1160 CE LYS A 71 -12.292 -11.548 4.693 1.00 51.04 C ATOM 1161 NZ LYS A 71 -11.693 -10.554 5.629 1.00 0.14 N ATOM 0 H LYS A 71 -7.800 -13.549 0.923 1.00 74.24 H new ATOM 0 HA LYS A 71 -9.276 -11.261 1.743 1.00 12.35 H new ATOM 0 HB2 LYS A 71 -9.628 -13.758 2.286 1.00 60.22 H new ATOM 0 HB3 LYS A 71 -8.263 -13.645 3.378 1.00 60.22 H new ATOM 0 HG2 LYS A 71 -10.300 -13.490 4.684 1.00 30.30 H new ATOM 0 HG3 LYS A 71 -9.502 -11.931 4.730 1.00 30.30 H new ATOM 0 HD2 LYS A 71 -11.061 -11.059 2.986 1.00 40.15 H new ATOM 0 HD3 LYS A 71 -11.838 -12.626 2.876 1.00 40.15 H new ATOM 0 HE2 LYS A 71 -13.203 -11.133 4.261 1.00 51.04 H new ATOM 0 HE3 LYS A 71 -12.581 -12.439 5.250 1.00 51.04 H new ATOM 0 HZ1 LYS A 71 -12.398 -10.281 6.343 1.00 0.14 H new ATOM 0 HZ2 LYS A 71 -10.868 -10.975 6.101 1.00 0.14 H new ATOM 0 HZ3 LYS A 71 -11.395 -9.712 5.097 1.00 0.14 H new ATOM 1175 N LYS A 72 -6.281 -11.627 3.093 1.00 13.44 N ATOM 1176 CA LYS A 72 -5.259 -10.982 3.929 1.00 44.34 C ATOM 1177 C LYS A 72 -4.574 -9.808 3.199 1.00 54.11 C ATOM 1178 O LYS A 72 -4.234 -8.815 3.838 1.00 65.42 O ATOM 1179 CB LYS A 72 -4.231 -12.032 4.422 1.00 71.12 C ATOM 1180 CG LYS A 72 -3.425 -12.754 3.309 1.00 0.04 C ATOM 1181 CD LYS A 72 -2.574 -13.944 3.836 1.00 70.41 C ATOM 1182 CE LYS A 72 -3.420 -14.985 4.605 1.00 34.25 C ATOM 1183 NZ LYS A 72 -2.665 -16.228 4.925 1.00 24.04 N ATOM 0 H LYS A 72 -5.990 -12.522 2.698 1.00 13.44 H new ATOM 0 HA LYS A 72 -5.755 -10.554 4.800 1.00 44.34 H new ATOM 0 HB2 LYS A 72 -3.528 -11.539 5.093 1.00 71.12 H new ATOM 0 HB3 LYS A 72 -4.759 -12.783 5.009 1.00 71.12 H new ATOM 0 HG2 LYS A 72 -4.116 -13.119 2.549 1.00 0.04 H new ATOM 0 HG3 LYS A 72 -2.767 -12.034 2.822 1.00 0.04 H new ATOM 0 HD2 LYS A 72 -2.079 -14.432 2.996 1.00 70.41 H new ATOM 0 HD3 LYS A 72 -1.790 -13.563 4.491 1.00 70.41 H new ATOM 0 HE2 LYS A 72 -3.782 -14.538 5.531 1.00 34.25 H new ATOM 0 HE3 LYS A 72 -4.297 -15.242 4.011 1.00 34.25 H new ATOM 0 HZ1 LYS A 72 -2.974 -16.594 5.848 1.00 24.04 H new ATOM 0 HZ2 LYS A 72 -2.845 -16.942 4.191 1.00 24.04 H new ATOM 0 HZ3 LYS A 72 -1.647 -16.017 4.960 1.00 24.04 H new ATOM 1197 N ALA A 73 -4.373 -9.937 1.868 1.00 10.11 N ATOM 1198 CA ALA A 73 -3.771 -8.869 1.037 1.00 52.32 C ATOM 1199 C ALA A 73 -4.781 -7.734 0.772 1.00 1.45 C ATOM 1200 O ALA A 73 -4.388 -6.573 0.583 1.00 11.03 O ATOM 1201 CB ALA A 73 -3.260 -9.451 -0.282 1.00 70.44 C ATOM 0 H ALA A 73 -4.621 -10.776 1.343 1.00 10.11 H new ATOM 0 HA ALA A 73 -2.929 -8.446 1.585 1.00 52.32 H new ATOM 0 HB1 ALA A 73 -2.820 -8.656 -0.884 1.00 70.44 H new ATOM 0 HB2 ALA A 73 -2.506 -10.211 -0.077 1.00 70.44 H new ATOM 0 HB3 ALA A 73 -4.090 -9.901 -0.827 1.00 70.44 H new ATOM 1207 N LYS A 74 -6.074 -8.111 0.737 1.00 4.13 N ATOM 1208 CA LYS A 74 -7.203 -7.179 0.592 1.00 44.15 C ATOM 1209 C LYS A 74 -7.255 -6.249 1.808 1.00 34.43 C ATOM 1210 O LYS A 74 -7.215 -5.022 1.667 1.00 12.13 O ATOM 1211 CB LYS A 74 -8.531 -7.972 0.466 1.00 14.24 C ATOM 1212 CG LYS A 74 -9.795 -7.105 0.322 1.00 31.44 C ATOM 1213 CD LYS A 74 -11.091 -7.944 0.330 1.00 40.24 C ATOM 1214 CE LYS A 74 -12.353 -7.085 0.134 1.00 13.52 C ATOM 1215 NZ LYS A 74 -12.398 -6.471 -1.217 1.00 63.30 N ATOM 0 H LYS A 74 -6.365 -9.086 0.810 1.00 4.13 H new ATOM 0 HA LYS A 74 -7.067 -6.582 -0.310 1.00 44.15 H new ATOM 0 HB2 LYS A 74 -8.462 -8.633 -0.398 1.00 14.24 H new ATOM 0 HB3 LYS A 74 -8.642 -8.607 1.345 1.00 14.24 H new ATOM 0 HG2 LYS A 74 -9.830 -6.381 1.136 1.00 31.44 H new ATOM 0 HG3 LYS A 74 -9.739 -6.538 -0.607 1.00 31.44 H new ATOM 0 HD2 LYS A 74 -11.039 -8.693 -0.460 1.00 40.24 H new ATOM 0 HD3 LYS A 74 -11.165 -8.482 1.275 1.00 40.24 H new ATOM 0 HE2 LYS A 74 -13.239 -7.702 0.282 1.00 13.52 H new ATOM 0 HE3 LYS A 74 -12.380 -6.301 0.891 1.00 13.52 H new ATOM 0 HZ1 LYS A 74 -13.368 -6.519 -1.588 1.00 63.30 H new ATOM 0 HZ2 LYS A 74 -12.100 -5.477 -1.156 1.00 63.30 H new ATOM 0 HZ3 LYS A 74 -11.758 -6.986 -1.854 1.00 63.30 H new ATOM 1229 N LYS A 75 -7.292 -6.883 2.996 1.00 52.23 N ATOM 1230 CA LYS A 75 -7.294 -6.204 4.296 1.00 42.22 C ATOM 1231 C LYS A 75 -6.040 -5.324 4.458 1.00 13.23 C ATOM 1232 O LYS A 75 -6.140 -4.177 4.896 1.00 31.04 O ATOM 1233 CB LYS A 75 -7.383 -7.273 5.421 1.00 61.53 C ATOM 1234 CG LYS A 75 -7.218 -6.712 6.849 1.00 22.41 C ATOM 1235 CD LYS A 75 -7.385 -7.786 7.947 1.00 43.34 C ATOM 1236 CE LYS A 75 -7.026 -7.254 9.345 1.00 31.43 C ATOM 1237 NZ LYS A 75 -7.738 -5.991 9.676 1.00 61.34 N ATOM 0 H LYS A 75 -7.322 -7.900 3.075 1.00 52.23 H new ATOM 0 HA LYS A 75 -8.158 -5.543 4.362 1.00 42.22 H new ATOM 0 HB2 LYS A 75 -8.347 -7.777 5.351 1.00 61.53 H new ATOM 0 HB3 LYS A 75 -6.616 -8.028 5.250 1.00 61.53 H new ATOM 0 HG2 LYS A 75 -6.232 -6.257 6.942 1.00 22.41 H new ATOM 0 HG3 LYS A 75 -7.951 -5.921 7.009 1.00 22.41 H new ATOM 0 HD2 LYS A 75 -8.415 -8.142 7.950 1.00 43.34 H new ATOM 0 HD3 LYS A 75 -6.752 -8.642 7.713 1.00 43.34 H new ATOM 0 HE2 LYS A 75 -7.269 -8.010 10.091 1.00 31.43 H new ATOM 0 HE3 LYS A 75 -5.950 -7.086 9.401 1.00 31.43 H new ATOM 0 HZ1 LYS A 75 -7.696 -5.828 10.702 1.00 61.34 H new ATOM 0 HZ2 LYS A 75 -7.285 -5.197 9.180 1.00 61.34 H new ATOM 0 HZ3 LYS A 75 -8.732 -6.064 9.377 1.00 61.34 H new ATOM 1251 N TRP A 76 -4.881 -5.883 4.036 1.00 1.41 N ATOM 1252 CA TRP A 76 -3.570 -5.224 4.133 1.00 63.25 C ATOM 1253 C TRP A 76 -3.569 -3.875 3.394 1.00 52.12 C ATOM 1254 O TRP A 76 -3.344 -2.834 4.003 1.00 71.05 O ATOM 1255 CB TRP A 76 -2.474 -6.162 3.542 1.00 53.22 C ATOM 1256 CG TRP A 76 -1.073 -5.608 3.651 1.00 72.01 C ATOM 1257 CD1 TRP A 76 -0.244 -5.723 4.720 1.00 11.44 C ATOM 1258 CD2 TRP A 76 -0.348 -4.837 2.669 1.00 12.12 C ATOM 1259 NE1 TRP A 76 0.943 -5.092 4.465 1.00 44.05 N ATOM 1260 CE2 TRP A 76 0.900 -4.529 3.226 1.00 31.21 C ATOM 1261 CE3 TRP A 76 -0.640 -4.374 1.383 1.00 13.35 C ATOM 1262 CZ2 TRP A 76 1.856 -3.787 2.551 1.00 52.33 C ATOM 1263 CZ3 TRP A 76 0.308 -3.632 0.706 1.00 32.22 C ATOM 1264 CH2 TRP A 76 1.544 -3.344 1.294 1.00 22.54 C ATOM 0 H TRP A 76 -4.836 -6.812 3.616 1.00 1.41 H new ATOM 0 HA TRP A 76 -3.357 -5.028 5.184 1.00 63.25 H new ATOM 0 HB2 TRP A 76 -2.516 -7.123 4.056 1.00 53.22 H new ATOM 0 HB3 TRP A 76 -2.699 -6.352 2.492 1.00 53.22 H new ATOM 0 HD1 TRP A 76 -0.486 -6.238 5.638 1.00 11.44 H new ATOM 0 HE1 TRP A 76 1.737 -5.050 5.104 1.00 44.05 H new ATOM 0 HE3 TRP A 76 -1.593 -4.593 0.925 1.00 13.35 H new ATOM 0 HZ2 TRP A 76 2.813 -3.566 3.001 1.00 52.33 H new ATOM 0 HZ3 TRP A 76 0.093 -3.270 -0.288 1.00 32.22 H new ATOM 0 HH2 TRP A 76 2.267 -2.760 0.745 1.00 22.54 H new ATOM 1275 N ALA A 77 -3.892 -3.922 2.090 1.00 53.24 N ATOM 1276 CA ALA A 77 -3.746 -2.779 1.181 1.00 4.42 C ATOM 1277 C ALA A 77 -4.772 -1.678 1.461 1.00 3.42 C ATOM 1278 O ALA A 77 -4.507 -0.509 1.175 1.00 71.15 O ATOM 1279 CB ALA A 77 -3.806 -3.256 -0.264 1.00 54.43 C ATOM 0 H ALA A 77 -4.263 -4.758 1.638 1.00 53.24 H new ATOM 0 HA ALA A 77 -2.769 -2.329 1.358 1.00 4.42 H new ATOM 0 HB1 ALA A 77 -3.697 -2.403 -0.934 1.00 54.43 H new ATOM 0 HB2 ALA A 77 -2.999 -3.966 -0.447 1.00 54.43 H new ATOM 0 HB3 ALA A 77 -4.765 -3.741 -0.448 1.00 54.43 H new ATOM 1285 N LEU A 78 -5.947 -2.075 1.985 1.00 3.35 N ATOM 1286 CA LEU A 78 -6.964 -1.130 2.475 1.00 44.03 C ATOM 1287 C LEU A 78 -6.423 -0.351 3.688 1.00 52.13 C ATOM 1288 O LEU A 78 -6.534 0.876 3.746 1.00 52.52 O ATOM 1289 CB LEU A 78 -8.272 -1.881 2.847 1.00 22.44 C ATOM 1290 CG LEU A 78 -9.103 -2.420 1.643 1.00 42.13 C ATOM 1291 CD1 LEU A 78 -10.304 -3.260 2.118 1.00 61.01 C ATOM 1292 CD2 LEU A 78 -9.573 -1.262 0.741 1.00 32.40 C ATOM 0 H LEU A 78 -6.216 -3.054 2.080 1.00 3.35 H new ATOM 0 HA LEU A 78 -7.193 -0.421 1.680 1.00 44.03 H new ATOM 0 HB2 LEU A 78 -8.017 -2.720 3.494 1.00 22.44 H new ATOM 0 HB3 LEU A 78 -8.903 -1.209 3.429 1.00 22.44 H new ATOM 0 HG LEU A 78 -8.453 -3.071 1.059 1.00 42.13 H new ATOM 0 HD11 LEU A 78 -10.861 -3.620 1.253 1.00 61.01 H new ATOM 0 HD12 LEU A 78 -9.946 -4.110 2.699 1.00 61.01 H new ATOM 0 HD13 LEU A 78 -10.955 -2.645 2.739 1.00 61.01 H new ATOM 0 HD21 LEU A 78 -10.151 -1.661 -0.092 1.00 32.40 H new ATOM 0 HD22 LEU A 78 -10.195 -0.579 1.320 1.00 32.40 H new ATOM 0 HD23 LEU A 78 -8.706 -0.725 0.357 1.00 32.40 H new ATOM 1304 N GLU A 79 -5.819 -1.090 4.641 1.00 22.55 N ATOM 1305 CA GLU A 79 -5.256 -0.512 5.875 1.00 75.44 C ATOM 1306 C GLU A 79 -3.997 0.335 5.603 1.00 32.45 C ATOM 1307 O GLU A 79 -3.756 1.282 6.328 1.00 63.31 O ATOM 1308 CB GLU A 79 -4.941 -1.614 6.921 1.00 10.34 C ATOM 1309 CG GLU A 79 -6.175 -2.289 7.548 1.00 64.31 C ATOM 1310 CD GLU A 79 -5.781 -3.221 8.700 1.00 53.10 C ATOM 1311 OE1 GLU A 79 -5.523 -4.411 8.456 1.00 65.52 O ATOM 1312 OE2 GLU A 79 -5.690 -2.750 9.858 1.00 61.41 O ATOM 0 H GLU A 79 -5.709 -2.102 4.576 1.00 22.55 H new ATOM 0 HA GLU A 79 -6.020 0.150 6.282 1.00 75.44 H new ATOM 0 HB2 GLU A 79 -4.329 -2.380 6.446 1.00 10.34 H new ATOM 0 HB3 GLU A 79 -4.341 -1.176 7.718 1.00 10.34 H new ATOM 0 HG2 GLU A 79 -6.862 -1.526 7.915 1.00 64.31 H new ATOM 0 HG3 GLU A 79 -6.707 -2.857 6.785 1.00 64.31 H new ATOM 1319 N VAL A 80 -3.205 -0.018 4.567 1.00 31.23 N ATOM 1320 CA VAL A 80 -1.989 0.738 4.169 1.00 42.45 C ATOM 1321 C VAL A 80 -2.383 2.043 3.449 1.00 64.55 C ATOM 1322 O VAL A 80 -1.774 3.098 3.678 1.00 14.12 O ATOM 1323 CB VAL A 80 -1.051 -0.145 3.256 1.00 65.33 C ATOM 1324 CG1 VAL A 80 0.147 0.648 2.673 1.00 14.21 C ATOM 1325 CG2 VAL A 80 -0.542 -1.363 4.049 1.00 30.21 C ATOM 0 H VAL A 80 -3.387 -0.833 3.982 1.00 31.23 H new ATOM 0 HA VAL A 80 -1.433 0.995 5.071 1.00 42.45 H new ATOM 0 HB VAL A 80 -1.652 -0.475 2.409 1.00 65.33 H new ATOM 0 HG11 VAL A 80 0.754 -0.013 2.055 1.00 14.21 H new ATOM 0 HG12 VAL A 80 -0.224 1.474 2.066 1.00 14.21 H new ATOM 0 HG13 VAL A 80 0.754 1.042 3.488 1.00 14.21 H new ATOM 0 HG21 VAL A 80 0.104 -1.967 3.413 1.00 30.21 H new ATOM 0 HG22 VAL A 80 0.021 -1.022 4.918 1.00 30.21 H new ATOM 0 HG23 VAL A 80 -1.390 -1.963 4.378 1.00 30.21 H new ATOM 1335 N ALA A 81 -3.423 1.941 2.597 1.00 2.05 N ATOM 1336 CA ALA A 81 -4.035 3.093 1.919 1.00 11.33 C ATOM 1337 C ALA A 81 -4.535 4.121 2.947 1.00 71.11 C ATOM 1338 O ALA A 81 -4.224 5.306 2.854 1.00 0.44 O ATOM 1339 CB ALA A 81 -5.191 2.616 1.028 1.00 30.04 C ATOM 0 H ALA A 81 -3.862 1.051 2.361 1.00 2.05 H new ATOM 0 HA ALA A 81 -3.283 3.576 1.295 1.00 11.33 H new ATOM 0 HB1 ALA A 81 -5.642 3.473 0.527 1.00 30.04 H new ATOM 0 HB2 ALA A 81 -4.811 1.918 0.282 1.00 30.04 H new ATOM 0 HB3 ALA A 81 -5.942 2.118 1.642 1.00 30.04 H new ATOM 1345 N ASN A 82 -5.280 3.612 3.940 1.00 42.44 N ATOM 1346 CA ASN A 82 -5.835 4.403 5.046 1.00 71.10 C ATOM 1347 C ASN A 82 -4.750 4.822 6.056 1.00 72.10 C ATOM 1348 O ASN A 82 -4.924 5.831 6.738 1.00 53.13 O ATOM 1349 CB ASN A 82 -6.983 3.628 5.755 1.00 1.35 C ATOM 1350 CG ASN A 82 -8.342 3.774 5.050 1.00 1.43 C ATOM 1351 OD1 ASN A 82 -9.115 4.685 5.357 1.00 1.24 O ATOM 1352 ND2 ASN A 82 -8.636 2.904 4.086 1.00 52.43 N ATOM 0 H ASN A 82 -5.517 2.622 3.997 1.00 42.44 H new ATOM 0 HA ASN A 82 -6.247 5.317 4.618 1.00 71.10 H new ATOM 0 HB2 ASN A 82 -6.720 2.571 5.807 1.00 1.35 H new ATOM 0 HB3 ASN A 82 -7.074 3.985 6.781 1.00 1.35 H new ATOM 0 HD21 ASN A 82 -9.519 2.981 3.581 1.00 52.43 H new ATOM 0 HD22 ASN A 82 -7.978 2.160 3.852 1.00 52.43 H new ATOM 1359 N LYS A 83 -3.655 4.028 6.174 1.00 33.35 N ATOM 1360 CA LYS A 83 -2.563 4.317 7.132 1.00 10.23 C ATOM 1361 C LYS A 83 -1.844 5.599 6.717 1.00 71.44 C ATOM 1362 O LYS A 83 -1.810 6.552 7.482 1.00 33.43 O ATOM 1363 CB LYS A 83 -1.548 3.135 7.207 1.00 71.43 C ATOM 1364 CG LYS A 83 -0.400 3.318 8.228 1.00 42.14 C ATOM 1365 CD LYS A 83 -0.900 3.348 9.693 1.00 3.13 C ATOM 1366 CE LYS A 83 0.239 3.533 10.708 1.00 43.00 C ATOM 1367 NZ LYS A 83 -0.265 3.510 12.103 1.00 4.53 N ATOM 0 H LYS A 83 -3.507 3.186 5.618 1.00 33.35 H new ATOM 0 HA LYS A 83 -3.000 4.446 8.122 1.00 10.23 H new ATOM 0 HB2 LYS A 83 -2.093 2.224 7.456 1.00 71.43 H new ATOM 0 HB3 LYS A 83 -1.114 2.986 6.218 1.00 71.43 H new ATOM 0 HG2 LYS A 83 0.318 2.506 8.110 1.00 42.14 H new ATOM 0 HG3 LYS A 83 0.129 4.246 8.010 1.00 42.14 H new ATOM 0 HD2 LYS A 83 -1.620 4.158 9.810 1.00 3.13 H new ATOM 0 HD3 LYS A 83 -1.427 2.419 9.911 1.00 3.13 H new ATOM 0 HE2 LYS A 83 0.978 2.743 10.574 1.00 43.00 H new ATOM 0 HE3 LYS A 83 0.746 4.479 10.519 1.00 43.00 H new ATOM 0 HZ1 LYS A 83 0.530 3.638 12.761 1.00 4.53 H new ATOM 0 HZ2 LYS A 83 -0.952 4.279 12.237 1.00 4.53 H new ATOM 0 HZ3 LYS A 83 -0.727 2.597 12.290 1.00 4.53 H new ATOM 1381 N ILE A 84 -1.364 5.616 5.458 1.00 25.21 N ATOM 1382 CA ILE A 84 -0.669 6.767 4.859 1.00 10.41 C ATOM 1383 C ILE A 84 -1.624 7.985 4.820 1.00 32.30 C ATOM 1384 O ILE A 84 -1.242 9.094 5.195 1.00 24.10 O ATOM 1385 CB ILE A 84 -0.139 6.386 3.417 1.00 24.40 C ATOM 1386 CG1 ILE A 84 0.956 5.263 3.508 1.00 22.12 C ATOM 1387 CG2 ILE A 84 0.410 7.616 2.662 1.00 62.53 C ATOM 1388 CD1 ILE A 84 1.355 4.644 2.172 1.00 72.52 C ATOM 0 H ILE A 84 -1.450 4.822 4.824 1.00 25.21 H new ATOM 0 HA ILE A 84 0.195 7.037 5.466 1.00 10.41 H new ATOM 0 HB ILE A 84 -0.988 6.005 2.849 1.00 24.40 H new ATOM 0 HG12 ILE A 84 1.846 5.681 3.978 1.00 22.12 H new ATOM 0 HG13 ILE A 84 0.591 4.472 4.163 1.00 22.12 H new ATOM 0 HG21 ILE A 84 0.763 7.311 1.677 1.00 62.53 H new ATOM 0 HG22 ILE A 84 -0.381 8.357 2.550 1.00 62.53 H new ATOM 0 HG23 ILE A 84 1.236 8.050 3.225 1.00 62.53 H new ATOM 0 HD11 ILE A 84 2.115 3.880 2.337 1.00 72.52 H new ATOM 0 HD12 ILE A 84 0.480 4.191 1.705 1.00 72.52 H new ATOM 0 HD13 ILE A 84 1.755 5.418 1.517 1.00 72.52 H new ATOM 1400 N ALA A 85 -2.890 7.721 4.436 1.00 40.03 N ATOM 1401 CA ALA A 85 -3.968 8.728 4.415 1.00 53.54 C ATOM 1402 C ALA A 85 -4.214 9.350 5.811 1.00 1.41 C ATOM 1403 O ALA A 85 -4.562 10.526 5.910 1.00 72.05 O ATOM 1404 CB ALA A 85 -5.256 8.091 3.877 1.00 64.12 C ATOM 0 H ALA A 85 -3.194 6.797 4.130 1.00 40.03 H new ATOM 0 HA ALA A 85 -3.656 9.539 3.756 1.00 53.54 H new ATOM 0 HB1 ALA A 85 -6.052 8.836 3.862 1.00 64.12 H new ATOM 0 HB2 ALA A 85 -5.085 7.723 2.866 1.00 64.12 H new ATOM 0 HB3 ALA A 85 -5.548 7.261 4.521 1.00 64.12 H new ATOM 1410 N ASN A 86 -4.035 8.530 6.870 1.00 13.14 N ATOM 1411 CA ASN A 86 -4.200 8.945 8.276 1.00 44.54 C ATOM 1412 C ASN A 86 -3.000 9.772 8.760 1.00 70.44 C ATOM 1413 O ASN A 86 -3.186 10.800 9.429 1.00 34.01 O ATOM 1414 CB ASN A 86 -4.387 7.698 9.182 1.00 51.22 C ATOM 1415 CG ASN A 86 -4.641 8.045 10.653 1.00 70.15 C ATOM 1416 OD1 ASN A 86 -5.785 8.183 11.085 1.00 30.33 O ATOM 1417 ND2 ASN A 86 -3.581 8.213 11.430 1.00 44.53 N ATOM 0 H ASN A 86 -3.769 7.551 6.769 1.00 13.14 H new ATOM 0 HA ASN A 86 -5.089 9.573 8.339 1.00 44.54 H new ATOM 0 HB2 ASN A 86 -5.223 7.108 8.806 1.00 51.22 H new ATOM 0 HB3 ASN A 86 -3.498 7.072 9.113 1.00 51.22 H new ATOM 0 HD21 ASN A 86 -3.703 8.463 12.411 1.00 44.53 H new ATOM 0 HD22 ASN A 86 -2.643 8.093 11.047 1.00 44.53 H new ATOM 1424 N GLU A 87 -1.769 9.311 8.419 1.00 75.35 N ATOM 1425 CA GLU A 87 -0.518 9.960 8.875 1.00 72.33 C ATOM 1426 C GLU A 87 -0.422 11.393 8.319 1.00 75.25 C ATOM 1427 O GLU A 87 0.161 12.276 8.948 1.00 41.12 O ATOM 1428 CB GLU A 87 0.753 9.154 8.452 1.00 42.33 C ATOM 1429 CG GLU A 87 0.761 7.652 8.822 1.00 35.45 C ATOM 1430 CD GLU A 87 0.401 7.341 10.292 1.00 71.44 C ATOM 1431 OE1 GLU A 87 1.301 7.356 11.161 1.00 1.12 O ATOM 1432 OE2 GLU A 87 -0.788 7.073 10.594 1.00 22.14 O ATOM 0 H GLU A 87 -1.619 8.492 7.830 1.00 75.35 H new ATOM 0 HA GLU A 87 -0.554 9.987 9.964 1.00 72.33 H new ATOM 0 HB2 GLU A 87 0.871 9.242 7.372 1.00 42.33 H new ATOM 0 HB3 GLU A 87 1.625 9.624 8.907 1.00 42.33 H new ATOM 0 HG2 GLU A 87 0.058 7.129 8.173 1.00 35.45 H new ATOM 0 HG3 GLU A 87 1.751 7.247 8.612 1.00 35.45 H new ATOM 1439 N LEU A 88 -0.986 11.585 7.114 1.00 53.24 N ATOM 1440 CA LEU A 88 -1.078 12.900 6.461 1.00 22.01 C ATOM 1441 C LEU A 88 -2.373 13.621 6.898 1.00 11.14 C ATOM 1442 O LEU A 88 -2.401 14.854 7.033 1.00 64.44 O ATOM 1443 CB LEU A 88 -1.050 12.717 4.915 1.00 20.35 C ATOM 1444 CG LEU A 88 0.092 11.819 4.352 1.00 53.45 C ATOM 1445 CD1 LEU A 88 0.013 11.726 2.818 1.00 2.41 C ATOM 1446 CD2 LEU A 88 1.481 12.300 4.826 1.00 73.23 C ATOM 0 H LEU A 88 -1.392 10.828 6.564 1.00 53.24 H new ATOM 0 HA LEU A 88 -0.227 13.512 6.760 1.00 22.01 H new ATOM 0 HB2 LEU A 88 -2.005 12.294 4.602 1.00 20.35 H new ATOM 0 HB3 LEU A 88 -0.971 13.702 4.454 1.00 20.35 H new ATOM 0 HG LEU A 88 -0.048 10.814 4.751 1.00 53.45 H new ATOM 0 HD11 LEU A 88 0.821 11.094 2.450 1.00 2.41 H new ATOM 0 HD12 LEU A 88 -0.946 11.295 2.528 1.00 2.41 H new ATOM 0 HD13 LEU A 88 0.108 12.723 2.388 1.00 2.41 H new ATOM 0 HD21 LEU A 88 2.252 11.649 4.413 1.00 73.23 H new ATOM 0 HD22 LEU A 88 1.648 13.322 4.485 1.00 73.23 H new ATOM 0 HD23 LEU A 88 1.525 12.269 5.915 1.00 73.23 H new ATOM 1458 N GLY A 89 -3.435 12.821 7.109 1.00 54.52 N ATOM 1459 CA GLY A 89 -4.774 13.331 7.426 1.00 3.52 C ATOM 1460 C GLY A 89 -5.406 14.060 6.243 1.00 3.44 C ATOM 1461 O GLY A 89 -6.153 15.019 6.431 1.00 13.43 O ATOM 0 H GLY A 89 -3.384 11.803 7.064 1.00 54.52 H new ATOM 0 HA2 GLY A 89 -5.416 12.502 7.725 1.00 3.52 H new ATOM 0 HA3 GLY A 89 -4.711 14.009 8.277 1.00 3.52 H new ATOM 1465 N ALA A 90 -5.086 13.606 5.016 1.00 55.21 N ATOM 1466 CA ALA A 90 -5.457 14.313 3.780 1.00 11.14 C ATOM 1467 C ALA A 90 -6.774 13.775 3.186 1.00 22.31 C ATOM 1468 O ALA A 90 -7.860 14.291 3.481 1.00 11.43 O ATOM 1469 CB ALA A 90 -4.295 14.241 2.764 1.00 15.43 C ATOM 0 H ALA A 90 -4.566 12.743 4.856 1.00 55.21 H new ATOM 0 HA ALA A 90 -5.636 15.360 4.023 1.00 11.14 H new ATOM 0 HB1 ALA A 90 -4.577 14.766 1.851 1.00 15.43 H new ATOM 0 HB2 ALA A 90 -3.408 14.707 3.192 1.00 15.43 H new ATOM 0 HB3 ALA A 90 -4.080 13.198 2.531 1.00 15.43 H new ATOM 1475 N LYS A 91 -6.671 12.707 2.382 1.00 24.11 N ATOM 1476 CA LYS A 91 -7.773 12.213 1.534 1.00 3.32 C ATOM 1477 C LYS A 91 -7.930 10.699 1.712 1.00 31.13 C ATOM 1478 O LYS A 91 -7.205 10.085 2.491 1.00 14.01 O ATOM 1479 CB LYS A 91 -7.473 12.541 0.045 1.00 22.52 C ATOM 1480 CG LYS A 91 -7.337 14.042 -0.284 1.00 14.23 C ATOM 1481 CD LYS A 91 -8.673 14.815 -0.152 1.00 72.22 C ATOM 1482 CE LYS A 91 -9.759 14.309 -1.120 1.00 42.41 C ATOM 1483 NZ LYS A 91 -11.016 15.083 -0.990 1.00 31.40 N ATOM 0 H LYS A 91 -5.817 12.156 2.299 1.00 24.11 H new ATOM 0 HA LYS A 91 -8.701 12.703 1.830 1.00 3.32 H new ATOM 0 HB2 LYS A 91 -6.550 12.038 -0.242 1.00 22.52 H new ATOM 0 HB3 LYS A 91 -8.269 12.122 -0.570 1.00 22.52 H new ATOM 0 HG2 LYS A 91 -6.598 14.489 0.382 1.00 14.23 H new ATOM 0 HG3 LYS A 91 -6.959 14.153 -1.300 1.00 14.23 H new ATOM 0 HD2 LYS A 91 -9.037 14.728 0.872 1.00 72.22 H new ATOM 0 HD3 LYS A 91 -8.494 15.874 -0.337 1.00 72.22 H new ATOM 0 HE2 LYS A 91 -9.394 14.379 -2.145 1.00 42.41 H new ATOM 0 HE3 LYS A 91 -9.959 13.256 -0.924 1.00 42.41 H new ATOM 0 HZ1 LYS A 91 -11.722 14.713 -1.657 1.00 31.40 H new ATOM 0 HZ2 LYS A 91 -11.378 14.996 -0.019 1.00 31.40 H new ATOM 0 HZ3 LYS A 91 -10.831 16.084 -1.202 1.00 31.40 H new ATOM 1497 N GLN A 92 -8.888 10.105 0.988 1.00 34.01 N ATOM 1498 CA GLN A 92 -9.104 8.643 0.978 1.00 74.11 C ATOM 1499 C GLN A 92 -8.494 7.989 -0.277 1.00 23.24 C ATOM 1500 O GLN A 92 -7.763 8.625 -1.054 1.00 13.43 O ATOM 1501 CB GLN A 92 -10.630 8.315 1.104 1.00 74.33 C ATOM 1502 CG GLN A 92 -11.146 8.320 2.556 1.00 2.33 C ATOM 1503 CD GLN A 92 -10.469 7.249 3.437 1.00 42.32 C ATOM 1504 OE1 GLN A 92 -10.109 6.167 2.963 1.00 5.32 O ATOM 1505 NE2 GLN A 92 -10.262 7.551 4.707 1.00 43.30 N ATOM 0 H GLN A 92 -9.537 10.619 0.392 1.00 34.01 H new ATOM 0 HA GLN A 92 -8.590 8.221 1.842 1.00 74.11 H new ATOM 0 HB2 GLN A 92 -11.198 9.042 0.523 1.00 74.33 H new ATOM 0 HB3 GLN A 92 -10.820 7.336 0.663 1.00 74.33 H new ATOM 0 HG2 GLN A 92 -10.976 9.304 2.993 1.00 2.33 H new ATOM 0 HG3 GLN A 92 -12.223 8.154 2.554 1.00 2.33 H new ATOM 0 HE21 GLN A 92 -10.569 8.452 5.074 1.00 43.30 H new ATOM 0 HE22 GLN A 92 -9.795 6.883 5.320 1.00 43.30 H new ATOM 1514 N SER A 93 -8.781 6.693 -0.441 1.00 31.42 N ATOM 1515 CA SER A 93 -8.339 5.896 -1.586 1.00 64.13 C ATOM 1516 C SER A 93 -9.542 5.312 -2.327 1.00 13.52 C ATOM 1517 O SER A 93 -10.615 5.107 -1.742 1.00 30.55 O ATOM 1518 CB SER A 93 -7.420 4.760 -1.095 1.00 12.52 C ATOM 1519 OG SER A 93 -6.973 3.928 -2.155 1.00 10.33 O ATOM 0 H SER A 93 -9.336 6.162 0.230 1.00 31.42 H new ATOM 0 HA SER A 93 -7.789 6.537 -2.274 1.00 64.13 H new ATOM 0 HB2 SER A 93 -6.557 5.189 -0.585 1.00 12.52 H new ATOM 0 HB3 SER A 93 -7.955 4.155 -0.363 1.00 12.52 H new ATOM 0 HG SER A 93 -7.010 4.425 -2.999 1.00 10.33 H new ATOM 1525 N THR A 94 -9.358 5.066 -3.622 1.00 2.43 N ATOM 1526 CA THR A 94 -10.255 4.222 -4.410 1.00 12.23 C ATOM 1527 C THR A 94 -9.598 2.829 -4.535 1.00 52.31 C ATOM 1528 O THR A 94 -8.375 2.729 -4.684 1.00 2.42 O ATOM 1529 CB THR A 94 -10.551 4.858 -5.814 1.00 64.21 C ATOM 1530 OG1 THR A 94 -11.410 4.001 -6.580 1.00 52.35 O ATOM 1531 CG2 THR A 94 -9.268 5.152 -6.614 1.00 63.45 C ATOM 0 H THR A 94 -8.579 5.448 -4.158 1.00 2.43 H new ATOM 0 HA THR A 94 -11.221 4.130 -3.914 1.00 12.23 H new ATOM 0 HB THR A 94 -11.047 5.810 -5.628 1.00 64.21 H new ATOM 0 HG1 THR A 94 -11.588 4.411 -7.452 1.00 52.35 H new ATOM 0 HG21 THR A 94 -9.532 5.591 -7.576 1.00 63.45 H new ATOM 0 HG22 THR A 94 -8.643 5.850 -6.056 1.00 63.45 H new ATOM 0 HG23 THR A 94 -8.720 4.224 -6.776 1.00 63.45 H new ATOM 1539 N THR A 95 -10.395 1.757 -4.436 1.00 73.34 N ATOM 1540 CA THR A 95 -9.869 0.378 -4.439 1.00 33.44 C ATOM 1541 C THR A 95 -10.629 -0.506 -5.437 1.00 2.34 C ATOM 1542 O THR A 95 -11.838 -0.743 -5.281 1.00 62.10 O ATOM 1543 CB THR A 95 -9.948 -0.259 -3.015 1.00 30.01 C ATOM 1544 OG1 THR A 95 -9.182 0.530 -2.093 1.00 64.42 O ATOM 1545 CG2 THR A 95 -9.443 -1.714 -2.997 1.00 11.21 C ATOM 0 H THR A 95 -11.410 1.815 -4.352 1.00 73.34 H new ATOM 0 HA THR A 95 -8.824 0.435 -4.744 1.00 33.44 H new ATOM 0 HB THR A 95 -10.997 -0.274 -2.719 1.00 30.01 H new ATOM 0 HG1 THR A 95 -9.661 0.594 -1.241 1.00 64.42 H new ATOM 0 HG21 THR A 95 -9.518 -2.113 -1.985 1.00 11.21 H new ATOM 0 HG22 THR A 95 -10.050 -2.318 -3.671 1.00 11.21 H new ATOM 0 HG23 THR A 95 -8.403 -1.742 -3.322 1.00 11.21 H new ATOM 1553 N THR A 96 -9.910 -0.961 -6.480 1.00 31.55 N ATOM 1554 CA THR A 96 -10.375 -2.022 -7.365 1.00 15.32 C ATOM 1555 C THR A 96 -9.959 -3.373 -6.757 1.00 54.34 C ATOM 1556 O THR A 96 -8.774 -3.719 -6.715 1.00 33.35 O ATOM 1557 CB THR A 96 -9.774 -1.869 -8.798 1.00 11.51 C ATOM 1558 OG1 THR A 96 -10.034 -0.536 -9.278 1.00 21.02 O ATOM 1559 CG2 THR A 96 -10.368 -2.895 -9.787 1.00 1.54 C ATOM 0 H THR A 96 -8.990 -0.596 -6.725 1.00 31.55 H new ATOM 0 HA THR A 96 -11.459 -1.964 -7.459 1.00 15.32 H new ATOM 0 HB THR A 96 -8.701 -2.053 -8.735 1.00 11.51 H new ATOM 0 HG1 THR A 96 -9.658 -0.433 -10.177 1.00 21.02 H new ATOM 0 HG21 THR A 96 -9.922 -2.752 -10.771 1.00 1.54 H new ATOM 0 HG22 THR A 96 -10.156 -3.905 -9.435 1.00 1.54 H new ATOM 0 HG23 THR A 96 -11.447 -2.754 -9.854 1.00 1.54 H new ATOM 1567 N THR A 97 -10.946 -4.109 -6.253 1.00 21.24 N ATOM 1568 CA THR A 97 -10.757 -5.475 -5.763 1.00 71.13 C ATOM 1569 C THR A 97 -11.312 -6.437 -6.820 1.00 43.25 C ATOM 1570 O THR A 97 -12.389 -6.182 -7.390 1.00 61.31 O ATOM 1571 CB THR A 97 -11.452 -5.696 -4.373 1.00 44.34 C ATOM 1572 OG1 THR A 97 -11.147 -7.010 -3.848 1.00 33.44 O ATOM 1573 CG2 THR A 97 -12.984 -5.494 -4.424 1.00 55.20 C ATOM 0 H THR A 97 -11.906 -3.774 -6.172 1.00 21.24 H new ATOM 0 HA THR A 97 -9.695 -5.663 -5.605 1.00 71.13 H new ATOM 0 HB THR A 97 -11.048 -4.934 -3.707 1.00 44.34 H new ATOM 0 HG1 THR A 97 -11.505 -7.694 -4.451 1.00 33.44 H new ATOM 0 HG21 THR A 97 -13.406 -5.661 -3.433 1.00 55.20 H new ATOM 0 HG22 THR A 97 -13.206 -4.477 -4.747 1.00 55.20 H new ATOM 0 HG23 THR A 97 -13.421 -6.202 -5.128 1.00 55.20 H new ATOM 1581 N ASP A 98 -10.549 -7.504 -7.111 1.00 20.34 N ATOM 1582 CA ASP A 98 -10.955 -8.564 -8.068 1.00 4.31 C ATOM 1583 C ASP A 98 -11.136 -8.024 -9.511 1.00 53.24 C ATOM 1584 O ASP A 98 -10.599 -6.961 -9.856 1.00 53.43 O ATOM 1585 CB ASP A 98 -12.232 -9.302 -7.556 1.00 31.12 C ATOM 1586 CG ASP A 98 -11.932 -10.243 -6.382 1.00 14.13 C ATOM 1587 OD1 ASP A 98 -11.812 -9.772 -5.229 1.00 54.12 O ATOM 1588 OD2 ASP A 98 -11.794 -11.462 -6.609 1.00 63.51 O ATOM 0 H ASP A 98 -9.632 -7.662 -6.693 1.00 20.34 H new ATOM 0 HA ASP A 98 -10.142 -9.288 -8.120 1.00 4.31 H new ATOM 0 HB2 ASP A 98 -12.975 -8.566 -7.248 1.00 31.12 H new ATOM 0 HB3 ASP A 98 -12.670 -9.874 -8.374 1.00 31.12 H new ATOM 1593 N GLY A 99 -11.889 -8.774 -10.352 1.00 45.01 N ATOM 1594 CA GLY A 99 -12.002 -8.478 -11.779 1.00 63.20 C ATOM 1595 C GLY A 99 -10.774 -8.972 -12.536 1.00 45.43 C ATOM 1596 O GLY A 99 -10.780 -10.079 -13.091 1.00 1.10 O ATOM 0 H GLY A 99 -12.425 -9.589 -10.053 1.00 45.01 H new ATOM 0 HA2 GLY A 99 -12.897 -8.951 -12.183 1.00 63.20 H new ATOM 0 HA3 GLY A 99 -12.116 -7.404 -11.924 1.00 63.20 H new ATOM 1600 N ASP A 100 -9.717 -8.153 -12.524 1.00 73.00 N ATOM 1601 CA ASP A 100 -8.392 -8.490 -13.067 1.00 3.21 C ATOM 1602 C ASP A 100 -7.356 -7.591 -12.380 1.00 53.53 C ATOM 1603 O ASP A 100 -7.448 -6.364 -12.496 1.00 71.21 O ATOM 1604 CB ASP A 100 -8.340 -8.303 -14.610 1.00 43.23 C ATOM 1605 CG ASP A 100 -6.964 -8.660 -15.219 1.00 44.31 C ATOM 1606 OD1 ASP A 100 -6.715 -9.851 -15.499 1.00 34.33 O ATOM 1607 OD2 ASP A 100 -6.118 -7.757 -15.414 1.00 34.53 O ATOM 0 H ASP A 100 -9.758 -7.214 -12.127 1.00 73.00 H new ATOM 0 HA ASP A 100 -8.176 -9.540 -12.870 1.00 3.21 H new ATOM 0 HB2 ASP A 100 -9.107 -8.925 -15.071 1.00 43.23 H new ATOM 0 HB3 ASP A 100 -8.580 -7.268 -14.853 1.00 43.23 H new ATOM 1612 N THR A 101 -6.393 -8.224 -11.673 1.00 44.25 N ATOM 1613 CA THR A 101 -5.308 -7.561 -10.915 1.00 54.44 C ATOM 1614 C THR A 101 -5.845 -6.692 -9.741 1.00 34.11 C ATOM 1615 O THR A 101 -6.796 -5.923 -9.894 1.00 54.54 O ATOM 1616 CB THR A 101 -4.374 -6.735 -11.864 1.00 50.24 C ATOM 1617 OG1 THR A 101 -3.955 -7.584 -12.954 1.00 2.25 O ATOM 1618 CG2 THR A 101 -3.131 -6.183 -11.135 1.00 0.54 C ATOM 0 H THR A 101 -6.348 -9.241 -11.612 1.00 44.25 H new ATOM 0 HA THR A 101 -4.710 -8.353 -10.464 1.00 54.44 H new ATOM 0 HB THR A 101 -4.939 -5.878 -12.230 1.00 50.24 H new ATOM 0 HG1 THR A 101 -4.646 -7.590 -13.649 1.00 2.25 H new ATOM 0 HG21 THR A 101 -2.518 -5.619 -11.838 1.00 0.54 H new ATOM 0 HG22 THR A 101 -3.447 -5.529 -10.322 1.00 0.54 H new ATOM 0 HG23 THR A 101 -2.549 -7.011 -10.729 1.00 0.54 H new ATOM 1626 N PHE A 102 -5.238 -6.842 -8.558 1.00 50.41 N ATOM 1627 CA PHE A 102 -5.630 -6.087 -7.362 1.00 22.24 C ATOM 1628 C PHE A 102 -4.921 -4.713 -7.357 1.00 12.23 C ATOM 1629 O PHE A 102 -3.689 -4.663 -7.298 1.00 3.30 O ATOM 1630 CB PHE A 102 -5.283 -6.921 -6.103 1.00 24.10 C ATOM 1631 CG PHE A 102 -5.863 -6.371 -4.810 1.00 35.25 C ATOM 1632 CD1 PHE A 102 -7.239 -6.421 -4.572 1.00 21.10 C ATOM 1633 CD2 PHE A 102 -5.043 -5.804 -3.837 1.00 51.12 C ATOM 1634 CE1 PHE A 102 -7.771 -5.921 -3.400 1.00 35.13 C ATOM 1635 CE2 PHE A 102 -5.581 -5.309 -2.672 1.00 23.44 C ATOM 1636 CZ PHE A 102 -6.943 -5.362 -2.455 1.00 54.02 C ATOM 0 H PHE A 102 -4.464 -7.488 -8.403 1.00 50.41 H new ATOM 0 HA PHE A 102 -6.704 -5.902 -7.363 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -5.644 -7.940 -6.245 1.00 24.10 H new ATOM 0 HB3 PHE A 102 -4.199 -6.978 -6.006 1.00 24.10 H new ATOM 0 HD1 PHE A 102 -7.894 -6.856 -5.313 1.00 21.10 H new ATOM 0 HD2 PHE A 102 -3.976 -5.753 -3.999 1.00 51.12 H new ATOM 0 HE1 PHE A 102 -8.836 -5.969 -3.226 1.00 35.13 H new ATOM 0 HE2 PHE A 102 -4.934 -4.877 -1.923 1.00 23.44 H new ATOM 0 HZ PHE A 102 -7.359 -4.964 -1.541 1.00 54.02 H new ATOM 1646 N GLU A 103 -5.700 -3.614 -7.452 1.00 42.41 N ATOM 1647 CA GLU A 103 -5.150 -2.244 -7.510 1.00 55.53 C ATOM 1648 C GLU A 103 -5.878 -1.326 -6.510 1.00 42.03 C ATOM 1649 O GLU A 103 -7.092 -1.137 -6.606 1.00 60.01 O ATOM 1650 CB GLU A 103 -5.252 -1.658 -8.946 1.00 63.32 C ATOM 1651 CG GLU A 103 -4.546 -0.286 -9.120 1.00 12.31 C ATOM 1652 CD GLU A 103 -4.767 0.344 -10.503 1.00 5.32 C ATOM 1653 OE1 GLU A 103 -4.101 -0.078 -11.476 1.00 40.02 O ATOM 1654 OE2 GLU A 103 -5.595 1.272 -10.629 1.00 31.22 O ATOM 0 H GLU A 103 -6.719 -3.651 -7.490 1.00 42.41 H new ATOM 0 HA GLU A 103 -4.096 -2.297 -7.237 1.00 55.53 H new ATOM 0 HB2 GLU A 103 -4.819 -2.369 -9.649 1.00 63.32 H new ATOM 0 HB3 GLU A 103 -6.304 -1.550 -9.209 1.00 63.32 H new ATOM 0 HG2 GLU A 103 -4.908 0.400 -8.355 1.00 12.31 H new ATOM 0 HG3 GLU A 103 -3.476 -0.413 -8.954 1.00 12.31 H new ATOM 1661 N VAL A 104 -5.117 -0.776 -5.547 1.00 51.41 N ATOM 1662 CA VAL A 104 -5.598 0.220 -4.575 1.00 63.41 C ATOM 1663 C VAL A 104 -4.882 1.556 -4.859 1.00 53.54 C ATOM 1664 O VAL A 104 -3.694 1.703 -4.549 1.00 33.53 O ATOM 1665 CB VAL A 104 -5.286 -0.247 -3.099 1.00 73.54 C ATOM 1666 CG1 VAL A 104 -5.870 0.729 -2.051 1.00 14.35 C ATOM 1667 CG2 VAL A 104 -5.790 -1.688 -2.861 1.00 64.15 C ATOM 0 H VAL A 104 -4.134 -1.016 -5.421 1.00 51.41 H new ATOM 0 HA VAL A 104 -6.677 0.336 -4.674 1.00 63.41 H new ATOM 0 HB VAL A 104 -4.203 -0.240 -2.975 1.00 73.54 H new ATOM 0 HG11 VAL A 104 -5.633 0.371 -1.049 1.00 14.35 H new ATOM 0 HG12 VAL A 104 -5.437 1.719 -2.195 1.00 14.35 H new ATOM 0 HG13 VAL A 104 -6.952 0.786 -2.170 1.00 14.35 H new ATOM 0 HG21 VAL A 104 -5.564 -1.988 -1.838 1.00 64.15 H new ATOM 0 HG22 VAL A 104 -6.867 -1.728 -3.021 1.00 64.15 H new ATOM 0 HG23 VAL A 104 -5.295 -2.366 -3.556 1.00 64.15 H new ATOM 1677 N GLU A 105 -5.597 2.532 -5.431 1.00 34.02 N ATOM 1678 CA GLU A 105 -4.999 3.817 -5.838 1.00 32.44 C ATOM 1679 C GLU A 105 -5.403 4.919 -4.834 1.00 22.11 C ATOM 1680 O GLU A 105 -6.579 5.292 -4.746 1.00 32.32 O ATOM 1681 CB GLU A 105 -5.444 4.166 -7.276 1.00 13.23 C ATOM 1682 CG GLU A 105 -4.756 5.406 -7.869 1.00 32.41 C ATOM 1683 CD GLU A 105 -5.137 5.632 -9.337 1.00 1.43 C ATOM 1684 OE1 GLU A 105 -4.706 4.840 -10.192 1.00 14.04 O ATOM 1685 OE2 GLU A 105 -5.866 6.594 -9.646 1.00 60.54 O ATOM 0 H GLU A 105 -6.596 2.459 -5.625 1.00 34.02 H new ATOM 0 HA GLU A 105 -3.912 3.740 -5.833 1.00 32.44 H new ATOM 0 HB2 GLU A 105 -5.246 3.311 -7.922 1.00 13.23 H new ATOM 0 HB3 GLU A 105 -6.522 4.326 -7.281 1.00 13.23 H new ATOM 0 HG2 GLU A 105 -5.029 6.285 -7.285 1.00 32.41 H new ATOM 0 HG3 GLU A 105 -3.675 5.293 -7.789 1.00 32.41 H new ATOM 1692 N VAL A 106 -4.408 5.444 -4.096 1.00 63.00 N ATOM 1693 CA VAL A 106 -4.618 6.418 -3.006 1.00 72.02 C ATOM 1694 C VAL A 106 -4.308 7.834 -3.527 1.00 5.03 C ATOM 1695 O VAL A 106 -3.139 8.167 -3.748 1.00 30.24 O ATOM 1696 CB VAL A 106 -3.690 6.089 -1.759 1.00 44.14 C ATOM 1697 CG1 VAL A 106 -4.248 6.724 -0.462 1.00 33.23 C ATOM 1698 CG2 VAL A 106 -3.491 4.559 -1.591 1.00 44.11 C ATOM 0 H VAL A 106 -3.427 5.203 -4.239 1.00 63.00 H new ATOM 0 HA VAL A 106 -5.656 6.359 -2.680 1.00 72.02 H new ATOM 0 HB VAL A 106 -2.712 6.530 -1.952 1.00 44.14 H new ATOM 0 HG11 VAL A 106 -3.592 6.481 0.374 1.00 33.23 H new ATOM 0 HG12 VAL A 106 -4.300 7.806 -0.580 1.00 33.23 H new ATOM 0 HG13 VAL A 106 -5.246 6.332 -0.265 1.00 33.23 H new ATOM 0 HG21 VAL A 106 -2.851 4.368 -0.729 1.00 44.11 H new ATOM 0 HG22 VAL A 106 -4.459 4.081 -1.438 1.00 44.11 H new ATOM 0 HG23 VAL A 106 -3.023 4.152 -2.487 1.00 44.11 H new ATOM 1708 N ILE A 107 -5.350 8.661 -3.724 1.00 13.44 N ATOM 1709 CA ILE A 107 -5.191 10.014 -4.294 1.00 71.02 C ATOM 1710 C ILE A 107 -4.997 11.035 -3.159 1.00 51.25 C ATOM 1711 O ILE A 107 -5.962 11.462 -2.531 1.00 55.02 O ATOM 1712 CB ILE A 107 -6.438 10.407 -5.174 1.00 43.43 C ATOM 1713 CG1 ILE A 107 -6.747 9.311 -6.243 1.00 4.24 C ATOM 1714 CG2 ILE A 107 -6.242 11.792 -5.862 1.00 45.34 C ATOM 1715 CD1 ILE A 107 -5.653 9.098 -7.280 1.00 34.23 C ATOM 0 H ILE A 107 -6.314 8.417 -3.497 1.00 13.44 H new ATOM 0 HA ILE A 107 -4.311 10.018 -4.937 1.00 71.02 H new ATOM 0 HB ILE A 107 -7.292 10.481 -4.500 1.00 43.43 H new ATOM 0 HG12 ILE A 107 -6.930 8.366 -5.731 1.00 4.24 H new ATOM 0 HG13 ILE A 107 -7.669 9.578 -6.759 1.00 4.24 H new ATOM 0 HG21 ILE A 107 -7.122 12.029 -6.460 1.00 45.34 H new ATOM 0 HG22 ILE A 107 -6.103 12.560 -5.101 1.00 45.34 H new ATOM 0 HG23 ILE A 107 -5.364 11.757 -6.507 1.00 45.34 H new ATOM 0 HD11 ILE A 107 -5.960 8.319 -7.978 1.00 34.23 H new ATOM 0 HD12 ILE A 107 -5.483 10.026 -7.825 1.00 34.23 H new ATOM 0 HD13 ILE A 107 -4.732 8.796 -6.781 1.00 34.23 H new ATOM 1727 N LEU A 108 -3.732 11.395 -2.892 1.00 11.21 N ATOM 1728 CA LEU A 108 -3.368 12.346 -1.821 1.00 20.43 C ATOM 1729 C LEU A 108 -2.565 13.496 -2.438 1.00 43.13 C ATOM 1730 O LEU A 108 -1.370 13.342 -2.672 1.00 72.33 O ATOM 1731 CB LEU A 108 -2.497 11.617 -0.752 1.00 21.24 C ATOM 1732 CG LEU A 108 -3.058 10.270 -0.217 1.00 22.24 C ATOM 1733 CD1 LEU A 108 -2.023 9.528 0.647 1.00 75.22 C ATOM 1734 CD2 LEU A 108 -4.365 10.473 0.576 1.00 53.32 C ATOM 0 H LEU A 108 -2.930 11.037 -3.411 1.00 11.21 H new ATOM 0 HA LEU A 108 -4.268 12.734 -1.345 1.00 20.43 H new ATOM 0 HB2 LEU A 108 -1.512 11.433 -1.180 1.00 21.24 H new ATOM 0 HB3 LEU A 108 -2.357 12.290 0.094 1.00 21.24 H new ATOM 0 HG LEU A 108 -3.280 9.655 -1.089 1.00 22.24 H new ATOM 0 HD11 LEU A 108 -2.451 8.591 1.003 1.00 75.22 H new ATOM 0 HD12 LEU A 108 -1.135 9.318 0.051 1.00 75.22 H new ATOM 0 HD13 LEU A 108 -1.749 10.149 1.500 1.00 75.22 H new ATOM 0 HD21 LEU A 108 -4.727 9.509 0.934 1.00 53.32 H new ATOM 0 HD22 LEU A 108 -4.177 11.128 1.426 1.00 53.32 H new ATOM 0 HD23 LEU A 108 -5.117 10.925 -0.071 1.00 53.32 H new ATOM 1746 N GLU A 109 -3.199 14.646 -2.685 1.00 50.14 N ATOM 1747 CA GLU A 109 -2.534 15.788 -3.354 1.00 2.34 C ATOM 1748 C GLU A 109 -2.024 16.807 -2.312 1.00 25.25 C ATOM 1749 O GLU A 109 -2.719 17.770 -1.975 1.00 62.34 O ATOM 1750 CB GLU A 109 -3.512 16.450 -4.362 1.00 0.21 C ATOM 1751 CG GLU A 109 -4.011 15.498 -5.481 1.00 40.32 C ATOM 1752 CD GLU A 109 -5.111 16.120 -6.360 1.00 34.11 C ATOM 1753 OE1 GLU A 109 -6.286 16.142 -5.931 1.00 4.23 O ATOM 1754 OE2 GLU A 109 -4.810 16.598 -7.476 1.00 64.41 O ATOM 0 H GLU A 109 -4.173 14.819 -2.435 1.00 50.14 H new ATOM 0 HA GLU A 109 -1.668 15.423 -3.906 1.00 2.34 H new ATOM 0 HB2 GLU A 109 -4.374 16.834 -3.816 1.00 0.21 H new ATOM 0 HB3 GLU A 109 -3.018 17.306 -4.822 1.00 0.21 H new ATOM 0 HG2 GLU A 109 -3.168 15.215 -6.111 1.00 40.32 H new ATOM 0 HG3 GLU A 109 -4.391 14.583 -5.028 1.00 40.32 H new ATOM 1761 N LEU A 110 -0.819 16.556 -1.779 1.00 71.12 N ATOM 1762 CA LEU A 110 -0.160 17.447 -0.787 1.00 55.20 C ATOM 1763 C LEU A 110 0.838 18.375 -1.486 1.00 2.54 C ATOM 1764 O LEU A 110 1.149 19.462 -0.982 1.00 35.03 O ATOM 1765 CB LEU A 110 0.556 16.624 0.323 1.00 34.51 C ATOM 1766 CG LEU A 110 -0.365 15.923 1.387 1.00 42.35 C ATOM 1767 CD1 LEU A 110 -1.165 14.748 0.785 1.00 51.53 C ATOM 1768 CD2 LEU A 110 0.465 15.472 2.600 1.00 2.13 C ATOM 0 H LEU A 110 -0.267 15.732 -2.017 1.00 71.12 H new ATOM 0 HA LEU A 110 -0.934 18.051 -0.313 1.00 55.20 H new ATOM 0 HB2 LEU A 110 1.163 15.858 -0.159 1.00 34.51 H new ATOM 0 HB3 LEU A 110 1.241 17.288 0.850 1.00 34.51 H new ATOM 0 HG LEU A 110 -1.098 16.657 1.722 1.00 42.35 H new ATOM 0 HD11 LEU A 110 -1.786 14.296 1.559 1.00 51.53 H new ATOM 0 HD12 LEU A 110 -1.800 15.115 -0.021 1.00 51.53 H new ATOM 0 HD13 LEU A 110 -0.475 14.001 0.392 1.00 51.53 H new ATOM 0 HD21 LEU A 110 -0.187 14.989 3.328 1.00 2.13 H new ATOM 0 HD22 LEU A 110 1.231 14.768 2.275 1.00 2.13 H new ATOM 0 HD23 LEU A 110 0.940 16.339 3.058 1.00 2.13 H new ATOM 1780 N GLU A 111 1.348 17.939 -2.645 1.00 51.51 N ATOM 1781 CA GLU A 111 2.276 18.741 -3.434 1.00 2.40 C ATOM 1782 C GLU A 111 1.474 19.580 -4.435 1.00 30.51 C ATOM 1783 O GLU A 111 0.637 19.043 -5.169 1.00 15.30 O ATOM 1784 CB GLU A 111 3.311 17.844 -4.179 1.00 21.22 C ATOM 1785 CG GLU A 111 4.779 18.339 -4.116 1.00 74.25 C ATOM 1786 CD GLU A 111 5.064 19.663 -4.852 1.00 52.40 C ATOM 1787 OE1 GLU A 111 4.851 20.758 -4.274 1.00 71.31 O ATOM 1788 OE2 GLU A 111 5.528 19.616 -6.007 1.00 3.04 O ATOM 0 H GLU A 111 1.129 17.031 -3.054 1.00 51.51 H new ATOM 0 HA GLU A 111 2.837 19.395 -2.766 1.00 2.40 H new ATOM 0 HB2 GLU A 111 3.265 16.839 -3.760 1.00 21.22 H new ATOM 0 HB3 GLU A 111 3.015 17.767 -5.225 1.00 21.22 H new ATOM 0 HG2 GLU A 111 5.060 18.457 -3.069 1.00 74.25 H new ATOM 0 HG3 GLU A 111 5.423 17.565 -4.533 1.00 74.25 H new ATOM 1795 N HIS A 112 1.784 20.874 -4.476 1.00 44.41 N ATOM 1796 CA HIS A 112 1.194 21.835 -5.429 1.00 54.02 C ATOM 1797 C HIS A 112 2.075 21.896 -6.697 1.00 62.51 C ATOM 1798 O HIS A 112 2.509 22.972 -7.139 1.00 34.12 O ATOM 1799 CB HIS A 112 1.015 23.228 -4.756 1.00 41.22 C ATOM 1800 CG HIS A 112 2.233 23.733 -4.023 1.00 64.44 C ATOM 1801 ND1 HIS A 112 3.335 24.263 -4.657 1.00 2.43 N ATOM 1802 CD2 HIS A 112 2.521 23.744 -2.704 1.00 13.32 C ATOM 1803 CE1 HIS A 112 4.230 24.593 -3.755 1.00 11.03 C ATOM 1804 NE2 HIS A 112 3.771 24.283 -2.564 1.00 74.01 N ATOM 0 H HIS A 112 2.461 21.299 -3.842 1.00 44.41 H new ATOM 0 HA HIS A 112 0.199 21.506 -5.728 1.00 54.02 H new ATOM 0 HB2 HIS A 112 0.741 23.954 -5.521 1.00 41.22 H new ATOM 0 HB3 HIS A 112 0.182 23.174 -4.055 1.00 41.22 H new ATOM 0 HD1 HIS A 112 3.439 24.380 -5.665 1.00 2.43 H new ATOM 0 HD2 HIS A 112 1.883 23.392 -1.907 1.00 13.32 H new ATOM 0 HE1 HIS A 112 5.189 25.046 -3.959 1.00 11.03 H new ATOM 1813 N HIS A 113 2.310 20.702 -7.275 1.00 63.35 N ATOM 1814 CA HIS A 113 3.153 20.517 -8.466 1.00 74.43 C ATOM 1815 C HIS A 113 2.394 21.050 -9.688 1.00 33.32 C ATOM 1816 O HIS A 113 1.346 20.499 -10.051 1.00 44.41 O ATOM 1817 CB HIS A 113 3.521 19.005 -8.645 1.00 54.31 C ATOM 1818 CG HIS A 113 4.788 18.782 -9.423 1.00 13.41 C ATOM 1819 ND1 HIS A 113 6.018 18.668 -8.810 1.00 71.22 N ATOM 1820 CD2 HIS A 113 5.027 18.664 -10.747 1.00 43.41 C ATOM 1821 CE1 HIS A 113 6.946 18.502 -9.716 1.00 11.13 C ATOM 1822 NE2 HIS A 113 6.383 18.509 -10.908 1.00 60.22 N ATOM 0 H HIS A 113 1.914 19.831 -6.922 1.00 63.35 H new ATOM 0 HA HIS A 113 4.086 21.068 -8.353 1.00 74.43 H new ATOM 0 HB2 HIS A 113 3.623 18.546 -7.662 1.00 54.31 H new ATOM 0 HB3 HIS A 113 2.700 18.497 -9.151 1.00 54.31 H new ATOM 0 HD1 HIS A 113 6.179 18.707 -7.804 1.00 71.22 H new ATOM 0 HD2 HIS A 113 4.288 18.687 -11.534 1.00 43.41 H new ATOM 0 HE1 HIS A 113 8.001 18.379 -9.520 1.00 11.13 H new ATOM 1831 N HIS A 114 2.929 22.125 -10.292 1.00 1.22 N ATOM 1832 CA HIS A 114 2.223 22.923 -11.312 1.00 64.50 C ATOM 1833 C HIS A 114 2.086 22.156 -12.640 1.00 21.22 C ATOM 1834 O HIS A 114 2.950 22.231 -13.529 1.00 41.41 O ATOM 1835 CB HIS A 114 2.906 24.301 -11.513 1.00 11.32 C ATOM 1836 CG HIS A 114 2.892 25.168 -10.281 1.00 31.11 C ATOM 1837 ND1 HIS A 114 1.885 26.067 -10.011 1.00 31.31 N ATOM 1838 CD2 HIS A 114 3.762 25.271 -9.248 1.00 22.44 C ATOM 1839 CE1 HIS A 114 2.144 26.682 -8.880 1.00 31.02 C ATOM 1840 NE2 HIS A 114 3.278 26.221 -8.396 1.00 32.44 N ATOM 0 H HIS A 114 3.868 22.467 -10.086 1.00 1.22 H new ATOM 0 HA HIS A 114 1.213 23.106 -10.946 1.00 64.50 H new ATOM 0 HB2 HIS A 114 3.939 24.143 -11.824 1.00 11.32 H new ATOM 0 HB3 HIS A 114 2.406 24.830 -12.325 1.00 11.32 H new ATOM 0 HD2 HIS A 114 4.673 24.705 -9.122 1.00 22.44 H new ATOM 0 HE1 HIS A 114 1.528 27.441 -8.422 1.00 31.02 H new ATOM 0 HE2 HIS A 114 3.721 26.523 -7.529 1.00 32.44 H new ATOM 1849 N HIS A 115 1.015 21.368 -12.704 1.00 61.02 N ATOM 1850 CA HIS A 115 0.546 20.677 -13.903 1.00 60.02 C ATOM 1851 C HIS A 115 -0.981 20.674 -13.809 1.00 65.04 C ATOM 1852 O HIS A 115 -1.587 19.725 -13.293 1.00 61.20 O ATOM 1853 CB HIS A 115 1.146 19.236 -13.989 1.00 35.31 C ATOM 1854 CG HIS A 115 0.869 18.494 -15.283 1.00 43.33 C ATOM 1855 ND1 HIS A 115 1.859 18.171 -16.196 1.00 45.33 N ATOM 1856 CD2 HIS A 115 -0.275 17.978 -15.796 1.00 53.25 C ATOM 1857 CE1 HIS A 115 1.329 17.492 -17.198 1.00 62.15 C ATOM 1858 NE2 HIS A 115 0.037 17.363 -16.975 1.00 22.34 N ATOM 0 H HIS A 115 0.427 21.186 -11.890 1.00 61.02 H new ATOM 0 HA HIS A 115 0.870 21.175 -14.817 1.00 60.02 H new ATOM 0 HB2 HIS A 115 2.225 19.301 -13.851 1.00 35.31 H new ATOM 0 HB3 HIS A 115 0.753 18.647 -13.160 1.00 35.31 H new ATOM 0 HD2 HIS A 115 -1.257 18.042 -15.352 1.00 53.25 H new ATOM 0 HE1 HIS A 115 1.864 17.108 -18.054 1.00 62.15 H new ATOM 0 HE2 HIS A 115 -0.624 16.881 -17.585 1.00 22.34 H new ATOM 1867 N HIS A 116 -1.577 21.803 -14.228 1.00 72.21 N ATOM 1868 CA HIS A 116 -3.023 22.063 -14.122 1.00 71.51 C ATOM 1869 C HIS A 116 -3.808 21.092 -15.035 1.00 53.25 C ATOM 1870 O HIS A 116 -4.000 21.369 -16.226 1.00 22.34 O ATOM 1871 CB HIS A 116 -3.314 23.555 -14.463 1.00 62.42 C ATOM 1872 CG HIS A 116 -4.761 23.977 -14.356 1.00 44.13 C ATOM 1873 ND1 HIS A 116 -5.310 24.938 -15.177 1.00 74.32 N ATOM 1874 CD2 HIS A 116 -5.758 23.603 -13.507 1.00 12.10 C ATOM 1875 CE1 HIS A 116 -6.570 25.131 -14.846 1.00 34.24 C ATOM 1876 NE2 HIS A 116 -6.864 24.339 -13.834 1.00 3.45 N ATOM 0 H HIS A 116 -1.061 22.572 -14.656 1.00 72.21 H new ATOM 0 HA HIS A 116 -3.356 21.885 -13.100 1.00 71.51 H new ATOM 0 HB2 HIS A 116 -2.720 24.184 -13.799 1.00 62.42 H new ATOM 0 HB3 HIS A 116 -2.971 23.751 -15.479 1.00 62.42 H new ATOM 0 HD2 HIS A 116 -5.689 22.864 -12.723 1.00 12.10 H new ATOM 0 HE1 HIS A 116 -7.249 25.822 -15.324 1.00 34.24 H new ATOM 0 HE2 HIS A 116 -7.770 24.284 -13.369 1.00 3.45 H new ATOM 1885 N HIS A 117 -4.191 19.932 -14.446 1.00 1.20 N ATOM 1886 CA HIS A 117 -4.968 18.849 -15.099 1.00 70.04 C ATOM 1887 C HIS A 117 -4.160 18.206 -16.266 1.00 32.55 C ATOM 1888 O HIS A 117 -3.506 17.162 -16.054 1.00 3.40 O ATOM 1889 CB HIS A 117 -6.370 19.357 -15.561 1.00 72.13 C ATOM 1890 CG HIS A 117 -7.247 18.308 -16.197 1.00 35.14 C ATOM 1891 ND1 HIS A 117 -7.458 18.229 -17.560 1.00 51.32 N ATOM 1892 CD2 HIS A 117 -7.964 17.300 -15.653 1.00 70.10 C ATOM 1893 CE1 HIS A 117 -8.263 17.219 -17.819 1.00 50.42 C ATOM 1894 NE2 HIS A 117 -8.580 16.641 -16.680 1.00 13.35 N ATOM 1895 OXT HIS A 117 -4.167 18.748 -17.389 1.00 38.21 O ATOM 0 H HIS A 117 -3.961 19.718 -13.476 1.00 1.20 H new ATOM 0 HA HIS A 117 -5.143 18.066 -14.362 1.00 70.04 H new ATOM 0 HB2 HIS A 117 -6.892 19.772 -14.699 1.00 72.13 H new ATOM 0 HB3 HIS A 117 -6.229 20.172 -16.271 1.00 72.13 H new ATOM 0 HD2 HIS A 117 -8.037 17.060 -14.603 1.00 70.10 H new ATOM 0 HE1 HIS A 117 -8.604 16.917 -18.798 1.00 50.42 H new ATOM 0 HE2 HIS A 117 -9.189 15.829 -16.579 1.00 13.35 H new TER 1904 HIS A 117