USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 746 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 19 ASN :FLIP amide:sc= -0.203 F(o=-1.4,f=-0.2) USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= 0 F(o=-2.5,f=-0.2) USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.738 USER MOD Set 2.2: A 56 THR OG1 : rot -119:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.475) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= -0.163 (180deg=-1.08!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -103:sc= -0.872 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 25 MET CE :methyl -122:sc= -0.209 (180deg=-1.44) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00252 X(o=-0.0025,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.73) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -90:sc= 0.695 USER MOD Single : A 55 THR OG1 : rot -128:sc= 1.21 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.191 (180deg=-0.815) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -1.96 K(o=-2,f=-4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.0571 USER MOD Single : A 83 LYS NZ :NH3+ -111:sc= -0.85 (180deg=-3.91!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 88 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 91 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.663 0.572 0.021 1.00 21.15 N ATOM 2 CA MET A 1 2.127 0.338 -1.341 1.00 73.22 C ATOM 3 C MET A 1 3.095 -0.840 -1.391 1.00 41.33 C ATOM 4 O MET A 1 4.006 -0.943 -0.570 1.00 3.03 O ATOM 5 CB MET A 1 2.803 1.593 -1.895 1.00 51.24 C ATOM 6 CG MET A 1 2.884 1.620 -3.413 1.00 54.41 C ATOM 7 SD MET A 1 3.479 3.199 -4.049 1.00 24.01 S ATOM 8 CE MET A 1 2.451 3.388 -5.503 1.00 12.41 C ATOM 0 H1 MET A 1 1.006 1.378 0.030 1.00 21.15 H new ATOM 0 H2 MET A 1 1.175 -0.277 0.372 1.00 21.15 H new ATOM 0 H3 MET A 1 2.477 0.782 0.634 1.00 21.15 H new ATOM 0 HA MET A 1 1.260 0.099 -1.957 1.00 73.22 H new ATOM 0 HB2 MET A 1 2.256 2.471 -1.553 1.00 51.24 H new ATOM 0 HB3 MET A 1 3.810 1.665 -1.484 1.00 51.24 H new ATOM 0 HG2 MET A 1 3.546 0.823 -3.752 1.00 54.41 H new ATOM 0 HG3 MET A 1 1.898 1.413 -3.829 1.00 54.41 H new ATOM 0 HE1 MET A 1 2.858 4.176 -6.137 1.00 12.41 H new ATOM 0 HE2 MET A 1 2.430 2.450 -6.058 1.00 12.41 H new ATOM 0 HE3 MET A 1 1.438 3.653 -5.200 1.00 12.41 H new ATOM 18 N LYS A 2 2.892 -1.726 -2.360 1.00 61.20 N ATOM 19 CA LYS A 2 3.747 -2.896 -2.518 1.00 64.45 C ATOM 20 C LYS A 2 4.816 -2.650 -3.579 1.00 74.01 C ATOM 21 O LYS A 2 4.639 -1.817 -4.467 1.00 44.25 O ATOM 22 CB LYS A 2 2.909 -4.119 -2.898 1.00 53.24 C ATOM 23 CG LYS A 2 1.755 -4.384 -1.947 1.00 74.12 C ATOM 24 CD LYS A 2 2.250 -4.755 -0.559 1.00 53.33 C ATOM 25 CE LYS A 2 2.668 -6.215 -0.488 1.00 60.33 C ATOM 26 NZ LYS A 2 1.748 -7.015 0.368 1.00 44.41 N ATOM 0 H LYS A 2 2.142 -1.656 -3.048 1.00 61.20 H new ATOM 0 HA LYS A 2 4.242 -3.084 -1.565 1.00 64.45 H new ATOM 0 HB2 LYS A 2 2.515 -3.980 -3.905 1.00 53.24 H new ATOM 0 HB3 LYS A 2 3.554 -4.997 -2.926 1.00 53.24 H new ATOM 0 HG2 LYS A 2 1.123 -3.498 -1.884 1.00 74.12 H new ATOM 0 HG3 LYS A 2 1.136 -5.190 -2.341 1.00 74.12 H new ATOM 0 HD2 LYS A 2 3.095 -4.120 -0.291 1.00 53.33 H new ATOM 0 HD3 LYS A 2 1.464 -4.565 0.172 1.00 53.33 H new ATOM 0 HE2 LYS A 2 2.687 -6.636 -1.493 1.00 60.33 H new ATOM 0 HE3 LYS A 2 3.682 -6.284 -0.094 1.00 60.33 H new ATOM 0 HZ1 LYS A 2 1.845 -8.024 0.134 1.00 44.41 H new ATOM 0 HZ2 LYS A 2 1.989 -6.868 1.369 1.00 44.41 H new ATOM 0 HZ3 LYS A 2 0.767 -6.713 0.200 1.00 44.41 H new ATOM 40 N GLN A 3 5.921 -3.381 -3.480 1.00 2.11 N ATOM 41 CA GLN A 3 7.017 -3.241 -4.432 1.00 73.10 C ATOM 42 C GLN A 3 7.516 -4.607 -4.892 1.00 11.12 C ATOM 43 O GLN A 3 7.978 -5.414 -4.085 1.00 75.53 O ATOM 44 CB GLN A 3 8.166 -2.449 -3.807 1.00 1.15 C ATOM 45 CG GLN A 3 9.008 -1.694 -4.822 1.00 64.33 C ATOM 46 CD GLN A 3 10.002 -0.752 -4.172 1.00 14.42 C ATOM 47 OE1 GLN A 3 9.631 0.311 -3.672 1.00 72.00 O ATOM 48 NE2 GLN A 3 11.273 -1.136 -4.174 1.00 75.34 N ATOM 0 H GLN A 3 6.081 -4.076 -2.751 1.00 2.11 H new ATOM 0 HA GLN A 3 6.643 -2.699 -5.301 1.00 73.10 H new ATOM 0 HB2 GLN A 3 7.758 -1.740 -3.087 1.00 1.15 H new ATOM 0 HB3 GLN A 3 8.808 -3.133 -3.252 1.00 1.15 H new ATOM 0 HG2 GLN A 3 9.545 -2.408 -5.446 1.00 64.33 H new ATOM 0 HG3 GLN A 3 8.352 -1.125 -5.481 1.00 64.33 H new ATOM 0 HE21 GLN A 3 11.537 -2.025 -4.599 1.00 75.34 H new ATOM 0 HE22 GLN A 3 11.986 -0.542 -3.750 1.00 75.34 H new ATOM 57 N VAL A 4 7.420 -4.859 -6.193 1.00 71.24 N ATOM 58 CA VAL A 4 7.862 -6.127 -6.761 1.00 64.20 C ATOM 59 C VAL A 4 8.811 -5.903 -7.933 1.00 71.33 C ATOM 60 O VAL A 4 8.436 -5.309 -8.945 1.00 72.42 O ATOM 61 CB VAL A 4 6.669 -6.977 -7.236 1.00 15.32 C ATOM 62 CG1 VAL A 4 7.132 -8.366 -7.648 1.00 53.40 C ATOM 63 CG2 VAL A 4 5.609 -7.060 -6.148 1.00 35.11 C ATOM 0 H VAL A 4 7.040 -4.202 -6.874 1.00 71.24 H new ATOM 0 HA VAL A 4 8.386 -6.662 -5.969 1.00 64.20 H new ATOM 0 HB VAL A 4 6.226 -6.495 -8.108 1.00 15.32 H new ATOM 0 HG11 VAL A 4 6.275 -8.952 -7.981 1.00 53.40 H new ATOM 0 HG12 VAL A 4 7.852 -8.283 -8.462 1.00 53.40 H new ATOM 0 HG13 VAL A 4 7.601 -8.860 -6.797 1.00 53.40 H new ATOM 0 HG21 VAL A 4 4.773 -7.664 -6.500 1.00 35.11 H new ATOM 0 HG22 VAL A 4 6.038 -7.518 -5.257 1.00 35.11 H new ATOM 0 HG23 VAL A 4 5.256 -6.057 -5.907 1.00 35.11 H new ATOM 73 N LEU A 5 10.042 -6.383 -7.791 1.00 54.32 N ATOM 74 CA LEU A 5 11.046 -6.236 -8.839 1.00 52.22 C ATOM 75 C LEU A 5 10.871 -7.304 -9.914 1.00 43.11 C ATOM 76 O LEU A 5 9.988 -8.157 -9.819 1.00 44.33 O ATOM 77 CB LEU A 5 12.451 -6.322 -8.242 1.00 23.12 C ATOM 78 CG LEU A 5 12.901 -5.122 -7.408 1.00 31.03 C ATOM 79 CD1 LEU A 5 12.707 -3.829 -8.185 1.00 33.15 C ATOM 80 CD2 LEU A 5 12.141 -5.074 -6.090 1.00 4.11 C ATOM 0 H LEU A 5 10.369 -6.877 -6.961 1.00 54.32 H new ATOM 0 HA LEU A 5 10.914 -5.257 -9.300 1.00 52.22 H new ATOM 0 HB2 LEU A 5 12.505 -7.214 -7.617 1.00 23.12 H new ATOM 0 HB3 LEU A 5 13.162 -6.460 -9.056 1.00 23.12 H new ATOM 0 HG LEU A 5 13.963 -5.234 -7.188 1.00 31.03 H new ATOM 0 HD11 LEU A 5 13.033 -2.986 -7.576 1.00 33.15 H new ATOM 0 HD12 LEU A 5 13.296 -3.863 -9.101 1.00 33.15 H new ATOM 0 HD13 LEU A 5 11.653 -3.710 -8.436 1.00 33.15 H new ATOM 0 HD21 LEU A 5 12.474 -4.214 -5.509 1.00 4.11 H new ATOM 0 HD22 LEU A 5 11.073 -4.986 -6.289 1.00 4.11 H new ATOM 0 HD23 LEU A 5 12.331 -5.988 -5.527 1.00 4.11 H new ATOM 92 N VAL A 6 11.720 -7.252 -10.936 1.00 23.44 N ATOM 93 CA VAL A 6 11.662 -8.217 -12.027 1.00 64.31 C ATOM 94 C VAL A 6 13.042 -8.442 -12.636 1.00 0.12 C ATOM 95 O VAL A 6 13.440 -7.746 -13.569 1.00 65.13 O ATOM 96 CB VAL A 6 10.694 -7.756 -13.133 1.00 23.51 C ATOM 97 CG1 VAL A 6 10.686 -8.751 -14.284 1.00 13.02 C ATOM 98 CG2 VAL A 6 9.294 -7.568 -12.570 1.00 32.03 C ATOM 0 H VAL A 6 12.456 -6.552 -11.031 1.00 23.44 H new ATOM 0 HA VAL A 6 11.298 -9.153 -11.603 1.00 64.31 H new ATOM 0 HB VAL A 6 11.038 -6.796 -13.517 1.00 23.51 H new ATOM 0 HG11 VAL A 6 9.997 -8.409 -15.056 1.00 13.02 H new ATOM 0 HG12 VAL A 6 11.689 -8.831 -14.703 1.00 13.02 H new ATOM 0 HG13 VAL A 6 10.367 -9.727 -13.919 1.00 13.02 H new ATOM 0 HG21 VAL A 6 8.623 -7.242 -13.365 1.00 32.03 H new ATOM 0 HG22 VAL A 6 8.938 -8.512 -12.158 1.00 32.03 H new ATOM 0 HG23 VAL A 6 9.317 -6.815 -11.783 1.00 32.03 H new ATOM 108 N ALA A 7 13.767 -9.419 -12.101 1.00 11.13 N ATOM 109 CA ALA A 7 15.101 -9.737 -12.593 1.00 25.32 C ATOM 110 C ALA A 7 15.083 -10.995 -13.454 1.00 62.44 C ATOM 111 O ALA A 7 15.210 -12.110 -12.945 1.00 44.33 O ATOM 112 CB ALA A 7 16.067 -9.906 -11.429 1.00 33.41 C ATOM 0 H ALA A 7 13.452 -10.004 -11.327 1.00 11.13 H new ATOM 0 HA ALA A 7 15.439 -8.908 -13.214 1.00 25.32 H new ATOM 0 HB1 ALA A 7 17.060 -10.143 -11.812 1.00 33.41 H new ATOM 0 HB2 ALA A 7 16.111 -8.980 -10.855 1.00 33.41 H new ATOM 0 HB3 ALA A 7 15.723 -10.716 -10.785 1.00 33.41 H new ATOM 118 N CYS A 8 14.924 -10.810 -14.760 1.00 34.20 N ATOM 119 CA CYS A 8 14.887 -11.931 -15.692 1.00 61.34 C ATOM 120 C CYS A 8 15.865 -11.714 -16.843 1.00 31.04 C ATOM 121 O CYS A 8 15.723 -10.773 -17.622 1.00 41.11 O ATOM 122 CB CYS A 8 13.472 -12.121 -16.239 1.00 55.34 C ATOM 123 SG CYS A 8 13.342 -13.376 -17.534 1.00 62.40 S ATOM 0 H CYS A 8 14.819 -9.894 -15.197 1.00 34.20 H new ATOM 0 HA CYS A 8 15.183 -12.830 -15.151 1.00 61.34 H new ATOM 0 HB2 CYS A 8 12.810 -12.393 -15.417 1.00 55.34 H new ATOM 0 HB3 CYS A 8 13.116 -11.169 -16.633 1.00 55.34 H new ATOM 0 HG CYS A 8 12.107 -13.464 -17.930 1.00 62.40 H new ATOM 129 N GLY A 9 16.859 -12.591 -16.941 1.00 25.21 N ATOM 130 CA GLY A 9 17.848 -12.477 -17.997 1.00 53.35 C ATOM 131 C GLY A 9 18.473 -11.097 -18.059 1.00 63.42 C ATOM 132 O GLY A 9 18.082 -10.267 -18.879 1.00 34.04 O ATOM 0 H GLY A 9 16.997 -13.379 -16.308 1.00 25.21 H new ATOM 0 HA2 GLY A 9 18.630 -13.220 -17.840 1.00 53.35 H new ATOM 0 HA3 GLY A 9 17.380 -12.704 -18.955 1.00 53.35 H new ATOM 136 N ALA A 10 19.448 -10.852 -17.189 1.00 54.23 N ATOM 137 CA ALA A 10 20.129 -9.564 -17.149 1.00 14.33 C ATOM 138 C ALA A 10 21.324 -9.545 -18.095 1.00 41.31 C ATOM 139 O ALA A 10 22.318 -10.234 -17.870 1.00 12.04 O ATOM 140 CB ALA A 10 20.572 -9.246 -15.728 1.00 42.24 C ATOM 0 H ALA A 10 19.783 -11.528 -16.503 1.00 54.23 H new ATOM 0 HA ALA A 10 19.427 -8.799 -17.479 1.00 14.33 H new ATOM 0 HB1 ALA A 10 21.079 -8.281 -15.712 1.00 42.24 H new ATOM 0 HB2 ALA A 10 19.700 -9.208 -15.075 1.00 42.24 H new ATOM 0 HB3 ALA A 10 21.254 -10.020 -15.378 1.00 42.24 H new ATOM 146 N GLY A 11 21.220 -8.751 -19.157 1.00 3.44 N ATOM 147 CA GLY A 11 22.300 -8.658 -20.122 1.00 10.31 C ATOM 148 C GLY A 11 21.837 -8.117 -21.460 1.00 14.52 C ATOM 149 O GLY A 11 22.127 -6.971 -21.808 1.00 35.44 O ATOM 0 H GLY A 11 20.407 -8.171 -19.366 1.00 3.44 H new ATOM 0 HA2 GLY A 11 23.084 -8.013 -19.724 1.00 10.31 H new ATOM 0 HA3 GLY A 11 22.741 -9.644 -20.265 1.00 10.31 H new ATOM 153 N ILE A 12 21.116 -8.941 -22.213 1.00 25.45 N ATOM 154 CA ILE A 12 20.613 -8.539 -23.520 1.00 1.42 C ATOM 155 C ILE A 12 19.089 -8.564 -23.554 1.00 12.24 C ATOM 156 O ILE A 12 18.455 -7.659 -24.096 1.00 12.05 O ATOM 157 CB ILE A 12 21.155 -9.450 -24.637 1.00 2.31 C ATOM 158 CG1 ILE A 12 22.683 -9.507 -24.582 1.00 22.34 C ATOM 159 CG2 ILE A 12 20.687 -8.955 -25.997 1.00 63.35 C ATOM 160 CD1 ILE A 12 23.348 -8.176 -24.851 1.00 2.53 C ATOM 0 H ILE A 12 20.867 -9.892 -21.940 1.00 25.45 H new ATOM 0 HA ILE A 12 20.961 -7.521 -23.692 1.00 1.42 H new ATOM 0 HB ILE A 12 20.767 -10.457 -24.485 1.00 2.31 H new ATOM 0 HG12 ILE A 12 22.990 -9.865 -23.599 1.00 22.34 H new ATOM 0 HG13 ILE A 12 23.038 -10.235 -25.312 1.00 22.34 H new ATOM 0 HG21 ILE A 12 21.078 -9.609 -26.776 1.00 63.35 H new ATOM 0 HG22 ILE A 12 19.598 -8.961 -26.031 1.00 63.35 H new ATOM 0 HG23 ILE A 12 21.050 -7.940 -26.159 1.00 63.35 H new ATOM 0 HD11 ILE A 12 24.430 -8.292 -24.796 1.00 2.53 H new ATOM 0 HD12 ILE A 12 23.071 -7.825 -25.845 1.00 2.53 H new ATOM 0 HD13 ILE A 12 23.023 -7.450 -24.106 1.00 2.53 H new ATOM 172 N ALA A 13 18.507 -9.606 -22.969 1.00 54.31 N ATOM 173 CA ALA A 13 17.056 -9.747 -22.929 1.00 24.14 C ATOM 174 C ALA A 13 16.442 -8.811 -21.893 1.00 23.41 C ATOM 175 O ALA A 13 17.101 -8.414 -20.931 1.00 41.23 O ATOM 176 CB ALA A 13 16.675 -11.190 -22.632 1.00 12.35 C ATOM 0 H ALA A 13 19.017 -10.364 -22.517 1.00 54.31 H new ATOM 0 HA ALA A 13 16.661 -9.472 -23.907 1.00 24.14 H new ATOM 0 HB1 ALA A 13 15.589 -11.281 -22.605 1.00 12.35 H new ATOM 0 HB2 ALA A 13 17.075 -11.839 -23.411 1.00 12.35 H new ATOM 0 HB3 ALA A 13 17.088 -11.484 -21.667 1.00 12.35 H new ATOM 182 N THR A 14 15.176 -8.462 -22.095 1.00 53.31 N ATOM 183 CA THR A 14 14.473 -7.571 -21.180 1.00 22.20 C ATOM 184 C THR A 14 13.057 -8.067 -20.909 1.00 4.13 C ATOM 185 O THR A 14 12.405 -8.625 -21.791 1.00 42.20 O ATOM 186 CB THR A 14 14.405 -6.136 -21.735 1.00 11.34 C ATOM 187 OG1 THR A 14 13.536 -5.338 -20.923 1.00 54.13 O ATOM 188 CG2 THR A 14 13.908 -6.134 -23.172 1.00 62.24 C ATOM 0 H THR A 14 14.616 -8.783 -22.885 1.00 53.31 H new ATOM 0 HA THR A 14 15.038 -7.566 -20.248 1.00 22.20 H new ATOM 0 HB THR A 14 15.410 -5.714 -21.715 1.00 11.34 H new ATOM 0 HG1 THR A 14 13.499 -4.427 -21.281 1.00 54.13 H new ATOM 0 HG21 THR A 14 13.869 -5.109 -23.542 1.00 62.24 H new ATOM 0 HG22 THR A 14 14.587 -6.718 -23.793 1.00 62.24 H new ATOM 0 HG23 THR A 14 12.911 -6.573 -23.213 1.00 62.24 H new ATOM 196 N SER A 15 12.587 -7.859 -19.683 1.00 23.11 N ATOM 197 CA SER A 15 11.249 -8.288 -19.295 1.00 32.13 C ATOM 198 C SER A 15 10.202 -7.273 -19.742 1.00 52.50 C ATOM 199 O SER A 15 10.142 -6.156 -19.226 1.00 55.10 O ATOM 200 CB SER A 15 11.172 -8.483 -17.779 1.00 41.41 C ATOM 201 OG SER A 15 9.854 -8.274 -17.304 1.00 55.51 O ATOM 0 H SER A 15 13.113 -7.396 -18.942 1.00 23.11 H new ATOM 0 HA SER A 15 11.042 -9.238 -19.787 1.00 32.13 H new ATOM 0 HB2 SER A 15 11.499 -9.490 -17.522 1.00 41.41 H new ATOM 0 HB3 SER A 15 11.854 -7.791 -17.285 1.00 41.41 H new ATOM 0 HG SER A 15 9.796 -7.394 -16.878 1.00 55.51 H new ATOM 207 N THR A 16 9.377 -7.668 -20.707 1.00 31.23 N ATOM 208 CA THR A 16 8.333 -6.794 -21.226 1.00 14.14 C ATOM 209 C THR A 16 6.960 -7.448 -21.110 1.00 45.14 C ATOM 210 O THR A 16 6.041 -6.884 -20.517 1.00 31.52 O ATOM 211 CB THR A 16 8.590 -6.424 -22.699 1.00 3.15 C ATOM 212 OG1 THR A 16 9.981 -6.145 -22.897 1.00 54.44 O ATOM 213 CG2 THR A 16 7.762 -5.215 -23.106 1.00 14.13 C ATOM 0 H THR A 16 9.412 -8.589 -21.145 1.00 31.23 H new ATOM 0 HA THR A 16 8.352 -5.886 -20.623 1.00 14.14 H new ATOM 0 HB THR A 16 8.297 -7.270 -23.320 1.00 3.15 H new ATOM 0 HG1 THR A 16 10.138 -5.912 -23.836 1.00 54.44 H new ATOM 0 HG21 THR A 16 7.961 -4.973 -24.150 1.00 14.13 H new ATOM 0 HG22 THR A 16 6.703 -5.440 -22.981 1.00 14.13 H new ATOM 0 HG23 THR A 16 8.028 -4.364 -22.479 1.00 14.13 H new ATOM 221 N VAL A 17 6.829 -8.641 -21.681 1.00 71.14 N ATOM 222 CA VAL A 17 5.569 -9.373 -21.641 1.00 34.20 C ATOM 223 C VAL A 17 5.045 -9.487 -20.214 1.00 13.02 C ATOM 224 O VAL A 17 3.896 -9.145 -19.933 1.00 51.44 O ATOM 225 CB VAL A 17 5.721 -10.786 -22.234 1.00 61.34 C ATOM 226 CG1 VAL A 17 4.416 -11.558 -22.118 1.00 75.21 C ATOM 227 CG2 VAL A 17 6.177 -10.709 -23.684 1.00 11.24 C ATOM 0 H VAL A 17 7.580 -9.121 -22.177 1.00 71.14 H new ATOM 0 HA VAL A 17 4.857 -8.809 -22.243 1.00 34.20 H new ATOM 0 HB VAL A 17 6.482 -11.319 -21.665 1.00 61.34 H new ATOM 0 HG11 VAL A 17 4.543 -12.554 -22.542 1.00 75.21 H new ATOM 0 HG12 VAL A 17 4.136 -11.644 -21.068 1.00 75.21 H new ATOM 0 HG13 VAL A 17 3.632 -11.030 -22.660 1.00 75.21 H new ATOM 0 HG21 VAL A 17 6.279 -11.716 -24.087 1.00 11.24 H new ATOM 0 HG22 VAL A 17 5.440 -10.157 -24.268 1.00 11.24 H new ATOM 0 HG23 VAL A 17 7.138 -10.198 -23.736 1.00 11.24 H new ATOM 237 N VAL A 18 5.895 -9.970 -19.314 1.00 23.13 N ATOM 238 CA VAL A 18 5.519 -10.128 -17.914 1.00 2.11 C ATOM 239 C VAL A 18 4.935 -8.836 -17.353 1.00 23.22 C ATOM 240 O VAL A 18 3.762 -8.781 -16.986 1.00 62.33 O ATOM 241 CB VAL A 18 6.725 -10.550 -17.053 1.00 54.10 C ATOM 242 CG1 VAL A 18 6.286 -10.838 -15.625 1.00 65.32 C ATOM 243 CG2 VAL A 18 7.416 -11.760 -17.662 1.00 71.40 C ATOM 0 H VAL A 18 6.849 -10.259 -19.529 1.00 23.13 H new ATOM 0 HA VAL A 18 4.763 -10.912 -17.876 1.00 2.11 H new ATOM 0 HB VAL A 18 7.439 -9.727 -17.029 1.00 54.10 H new ATOM 0 HG11 VAL A 18 7.151 -11.135 -15.031 1.00 65.32 H new ATOM 0 HG12 VAL A 18 5.840 -9.942 -15.194 1.00 65.32 H new ATOM 0 HG13 VAL A 18 5.552 -11.644 -15.625 1.00 65.32 H new ATOM 0 HG21 VAL A 18 8.266 -12.045 -17.041 1.00 71.40 H new ATOM 0 HG22 VAL A 18 6.713 -12.591 -17.718 1.00 71.40 H new ATOM 0 HG23 VAL A 18 7.766 -11.513 -18.664 1.00 71.40 H new ATOM 253 N ASN A 19 5.763 -7.798 -17.289 1.00 55.13 N ATOM 254 CA ASN A 19 5.328 -6.505 -16.773 1.00 21.15 C ATOM 255 C ASN A 19 4.054 -6.040 -17.471 1.00 60.32 C ATOM 256 O ASN A 19 3.044 -5.767 -16.824 1.00 51.24 O ATOM 257 CB ASN A 19 6.433 -5.462 -16.955 1.00 73.30 C ATOM 258 CG ASN A 19 5.900 -4.043 -16.918 1.00 73.03 C ATOM 259 OD1 ASN A 19 5.064 -3.750 -15.929 1.00 11.34 O flip ATOM 260 ND2 ASN A 19 6.236 -3.220 -17.770 1.00 30.53 N flip ATOM 0 H ASN A 19 6.738 -7.827 -17.588 1.00 55.13 H new ATOM 0 HA ASN A 19 5.117 -6.619 -15.710 1.00 21.15 H new ATOM 0 HB2 ASN A 19 7.180 -5.587 -16.171 1.00 73.30 H new ATOM 0 HB3 ASN A 19 6.937 -5.633 -17.906 1.00 73.30 H new ATOM 0 HD21 ASN A 19 6.881 -3.489 -18.513 1.00 30.53 H new ATOM 0 HD22 ASN A 19 5.869 -2.269 -17.733 1.00 30.53 H new ATOM 267 N ASN A 20 4.110 -5.954 -18.796 1.00 41.13 N ATOM 268 CA ASN A 20 2.961 -5.522 -19.583 1.00 72.35 C ATOM 269 C ASN A 20 1.713 -6.315 -19.205 1.00 4.14 C ATOM 270 O ASN A 20 0.598 -5.797 -19.251 1.00 43.45 O ATOM 271 CB ASN A 20 3.249 -5.686 -21.077 1.00 73.32 C ATOM 272 CG ASN A 20 3.974 -4.489 -21.661 1.00 73.10 C ATOM 273 OD1 ASN A 20 3.492 -3.855 -22.600 1.00 63.22 O ATOM 274 ND2 ASN A 20 5.138 -4.174 -21.106 1.00 23.31 N ATOM 0 H ASN A 20 4.939 -6.178 -19.347 1.00 41.13 H new ATOM 0 HA ASN A 20 2.780 -4.469 -19.368 1.00 72.35 H new ATOM 0 HB2 ASN A 20 3.850 -6.582 -21.232 1.00 73.32 H new ATOM 0 HB3 ASN A 20 2.310 -5.835 -21.611 1.00 73.32 H new ATOM 0 HD21 ASN A 20 5.671 -3.378 -21.456 1.00 23.31 H new ATOM 0 HD22 ASN A 20 5.499 -4.728 -20.329 1.00 23.31 H new ATOM 281 N ALA A 21 1.911 -7.574 -18.829 1.00 32.33 N ATOM 282 CA ALA A 21 0.803 -8.438 -18.439 1.00 51.22 C ATOM 283 C ALA A 21 0.321 -8.110 -17.030 1.00 54.02 C ATOM 284 O ALA A 21 -0.867 -7.871 -16.811 1.00 33.24 O ATOM 285 CB ALA A 21 1.215 -9.899 -18.531 1.00 64.43 C ATOM 0 H ALA A 21 2.828 -8.019 -18.786 1.00 32.33 H new ATOM 0 HA ALA A 21 -0.023 -8.261 -19.128 1.00 51.22 H new ATOM 0 HB1 ALA A 21 0.378 -10.532 -18.237 1.00 64.43 H new ATOM 0 HB2 ALA A 21 1.504 -10.132 -19.556 1.00 64.43 H new ATOM 0 HB3 ALA A 21 2.059 -10.082 -17.866 1.00 64.43 H new ATOM 291 N ILE A 22 1.249 -8.101 -16.079 1.00 73.03 N ATOM 292 CA ILE A 22 0.917 -7.802 -14.692 1.00 21.12 C ATOM 293 C ILE A 22 0.263 -6.430 -14.566 1.00 61.41 C ATOM 294 O ILE A 22 -0.809 -6.295 -13.978 1.00 31.23 O ATOM 295 CB ILE A 22 2.166 -7.847 -13.792 1.00 64.12 C ATOM 296 CG1 ILE A 22 2.817 -9.230 -13.855 1.00 64.41 C ATOM 297 CG2 ILE A 22 1.800 -7.493 -12.359 1.00 11.03 C ATOM 298 CD1 ILE A 22 1.884 -10.356 -13.468 1.00 12.20 C ATOM 0 H ILE A 22 2.236 -8.297 -16.244 1.00 73.03 H new ATOM 0 HA ILE A 22 0.214 -8.568 -14.364 1.00 21.12 H new ATOM 0 HB ILE A 22 2.884 -7.111 -14.155 1.00 64.12 H new ATOM 0 HG12 ILE A 22 3.183 -9.404 -14.867 1.00 64.41 H new ATOM 0 HG13 ILE A 22 3.684 -9.245 -13.195 1.00 64.41 H new ATOM 0 HG21 ILE A 22 2.693 -7.529 -11.736 1.00 11.03 H new ATOM 0 HG22 ILE A 22 1.377 -6.489 -12.329 1.00 11.03 H new ATOM 0 HG23 ILE A 22 1.067 -8.207 -11.984 1.00 11.03 H new ATOM 0 HD11 ILE A 22 2.413 -11.307 -13.536 1.00 12.20 H new ATOM 0 HD12 ILE A 22 1.537 -10.206 -12.446 1.00 12.20 H new ATOM 0 HD13 ILE A 22 1.029 -10.368 -14.143 1.00 12.20 H new ATOM 310 N GLU A 23 0.916 -5.416 -15.125 1.00 30.03 N ATOM 311 CA GLU A 23 0.397 -4.054 -15.076 1.00 35.44 C ATOM 312 C GLU A 23 -1.056 -4.009 -15.540 1.00 34.21 C ATOM 313 O GLU A 23 -1.853 -3.216 -15.041 1.00 13.43 O ATOM 314 CB GLU A 23 1.250 -3.128 -15.944 1.00 11.41 C ATOM 315 CG GLU A 23 1.086 -3.369 -17.435 1.00 65.41 C ATOM 316 CD GLU A 23 1.874 -2.383 -18.276 1.00 33.12 C ATOM 317 OE1 GLU A 23 1.423 -2.065 -19.396 1.00 62.31 O ATOM 318 OE2 GLU A 23 2.941 -1.929 -17.812 1.00 52.33 O ATOM 0 H GLU A 23 1.805 -5.512 -15.617 1.00 30.03 H new ATOM 0 HA GLU A 23 0.441 -3.713 -14.042 1.00 35.44 H new ATOM 0 HB2 GLU A 23 0.990 -2.093 -15.721 1.00 11.41 H new ATOM 0 HB3 GLU A 23 2.299 -3.258 -15.677 1.00 11.41 H new ATOM 0 HG2 GLU A 23 1.408 -4.383 -17.673 1.00 65.41 H new ATOM 0 HG3 GLU A 23 0.030 -3.301 -17.696 1.00 65.41 H new ATOM 325 N GLU A 24 -1.392 -4.867 -16.499 1.00 11.42 N ATOM 326 CA GLU A 24 -2.748 -4.923 -17.031 1.00 73.34 C ATOM 327 C GLU A 24 -3.705 -5.547 -16.019 1.00 63.31 C ATOM 328 O GLU A 24 -4.851 -5.120 -15.888 1.00 73.30 O ATOM 329 CB GLU A 24 -2.775 -5.724 -18.335 1.00 41.22 C ATOM 330 CG GLU A 24 -2.167 -4.985 -19.516 1.00 11.24 C ATOM 331 CD GLU A 24 -3.205 -4.251 -20.342 1.00 34.11 C ATOM 332 OE1 GLU A 24 -3.251 -3.006 -20.268 1.00 54.51 O ATOM 333 OE2 GLU A 24 -3.972 -4.924 -21.063 1.00 11.40 O ATOM 0 H GLU A 24 -0.744 -5.532 -16.922 1.00 11.42 H new ATOM 0 HA GLU A 24 -3.074 -3.903 -17.232 1.00 73.34 H new ATOM 0 HB2 GLU A 24 -2.237 -6.661 -18.187 1.00 41.22 H new ATOM 0 HB3 GLU A 24 -3.807 -5.983 -18.571 1.00 41.22 H new ATOM 0 HG2 GLU A 24 -1.427 -4.272 -19.152 1.00 11.24 H new ATOM 0 HG3 GLU A 24 -1.639 -5.696 -20.152 1.00 11.24 H new ATOM 340 N MET A 25 -3.224 -6.561 -15.306 1.00 42.33 N ATOM 341 CA MET A 25 -4.035 -7.243 -14.305 1.00 74.43 C ATOM 342 C MET A 25 -4.226 -6.368 -13.071 1.00 13.21 C ATOM 343 O MET A 25 -5.349 -6.169 -12.607 1.00 63.12 O ATOM 344 CB MET A 25 -3.385 -8.570 -13.908 1.00 44.14 C ATOM 345 CG MET A 25 -3.164 -9.513 -15.080 1.00 4.10 C ATOM 346 SD MET A 25 -4.488 -10.724 -15.256 1.00 51.45 S ATOM 347 CE MET A 25 -3.695 -11.944 -16.300 1.00 44.34 C ATOM 0 H MET A 25 -2.277 -6.928 -15.403 1.00 42.33 H new ATOM 0 HA MET A 25 -5.014 -7.442 -14.742 1.00 74.43 H new ATOM 0 HB2 MET A 25 -2.427 -8.367 -13.430 1.00 44.14 H new ATOM 0 HB3 MET A 25 -4.013 -9.065 -13.167 1.00 44.14 H new ATOM 0 HG2 MET A 25 -3.084 -8.932 -15.999 1.00 4.10 H new ATOM 0 HG3 MET A 25 -2.216 -10.034 -14.948 1.00 4.10 H new ATOM 0 HE1 MET A 25 -4.276 -12.074 -17.213 1.00 44.34 H new ATOM 0 HE2 MET A 25 -2.690 -11.607 -16.554 1.00 44.34 H new ATOM 0 HE3 MET A 25 -3.636 -12.894 -15.769 1.00 44.34 H new ATOM 357 N ALA A 26 -3.123 -5.847 -12.544 1.00 21.44 N ATOM 358 CA ALA A 26 -3.170 -4.992 -11.364 1.00 62.03 C ATOM 359 C ALA A 26 -4.181 -3.865 -11.544 1.00 3.52 C ATOM 360 O ALA A 26 -4.835 -3.445 -10.589 1.00 21.12 O ATOM 361 CB ALA A 26 -1.790 -4.424 -11.069 1.00 45.02 C ATOM 0 H ALA A 26 -2.186 -6.002 -12.915 1.00 21.44 H new ATOM 0 HA ALA A 26 -3.489 -5.599 -10.517 1.00 62.03 H new ATOM 0 HB1 ALA A 26 -1.840 -3.788 -10.186 1.00 45.02 H new ATOM 0 HB2 ALA A 26 -1.091 -5.241 -10.889 1.00 45.02 H new ATOM 0 HB3 ALA A 26 -1.449 -3.836 -11.921 1.00 45.02 H new ATOM 367 N LYS A 27 -4.304 -3.377 -12.774 1.00 4.44 N ATOM 368 CA LYS A 27 -5.235 -2.298 -13.080 1.00 13.55 C ATOM 369 C LYS A 27 -6.677 -2.747 -12.866 1.00 12.45 C ATOM 370 O LYS A 27 -7.491 -2.007 -12.313 1.00 60.22 O ATOM 371 CB LYS A 27 -5.046 -1.826 -14.523 1.00 64.21 C ATOM 372 CG LYS A 27 -3.852 -0.906 -14.711 1.00 1.14 C ATOM 373 CD LYS A 27 -3.462 -0.789 -16.175 1.00 34.04 C ATOM 374 CE LYS A 27 -4.442 0.083 -16.944 1.00 54.41 C ATOM 375 NZ LYS A 27 -3.857 0.584 -18.218 1.00 43.52 N ATOM 0 H LYS A 27 -3.770 -3.712 -13.576 1.00 4.44 H new ATOM 0 HA LYS A 27 -5.026 -1.469 -12.403 1.00 13.55 H new ATOM 0 HB2 LYS A 27 -4.929 -2.696 -15.169 1.00 64.21 H new ATOM 0 HB3 LYS A 27 -5.948 -1.308 -14.848 1.00 64.21 H new ATOM 0 HG2 LYS A 27 -4.088 0.082 -14.316 1.00 1.14 H new ATOM 0 HG3 LYS A 27 -3.006 -1.285 -14.137 1.00 1.14 H new ATOM 0 HD2 LYS A 27 -2.460 -0.368 -16.253 1.00 34.04 H new ATOM 0 HD3 LYS A 27 -3.427 -1.782 -16.624 1.00 34.04 H new ATOM 0 HE2 LYS A 27 -5.345 -0.488 -17.159 1.00 54.41 H new ATOM 0 HE3 LYS A 27 -4.740 0.929 -16.324 1.00 54.41 H new ATOM 0 HZ1 LYS A 27 -4.556 1.174 -18.713 1.00 43.52 H new ATOM 0 HZ2 LYS A 27 -3.010 1.150 -18.012 1.00 43.52 H new ATOM 0 HZ3 LYS A 27 -3.596 -0.222 -18.821 1.00 43.52 H new ATOM 389 N GLU A 28 -6.985 -3.963 -13.305 1.00 50.23 N ATOM 390 CA GLU A 28 -8.329 -4.509 -13.160 1.00 72.24 C ATOM 391 C GLU A 28 -8.720 -4.611 -11.689 1.00 4.43 C ATOM 392 O GLU A 28 -9.878 -4.404 -11.327 1.00 34.34 O ATOM 393 CB GLU A 28 -8.417 -5.888 -13.819 1.00 11.32 C ATOM 394 CG GLU A 28 -9.826 -6.273 -14.238 1.00 22.31 C ATOM 395 CD GLU A 28 -10.243 -5.627 -15.545 1.00 12.04 C ATOM 396 OE1 GLU A 28 -9.815 -6.116 -16.611 1.00 72.30 O ATOM 397 OE2 GLU A 28 -10.997 -4.633 -15.501 1.00 50.52 O ATOM 0 H GLU A 28 -6.323 -4.588 -13.764 1.00 50.23 H new ATOM 0 HA GLU A 28 -9.024 -3.831 -13.656 1.00 72.24 H new ATOM 0 HB2 GLU A 28 -7.769 -5.905 -14.695 1.00 11.32 H new ATOM 0 HB3 GLU A 28 -8.035 -6.638 -13.126 1.00 11.32 H new ATOM 0 HG2 GLU A 28 -9.888 -7.357 -14.337 1.00 22.31 H new ATOM 0 HG3 GLU A 28 -10.526 -5.983 -13.454 1.00 22.31 H new ATOM 404 N HIS A 29 -7.744 -4.930 -10.844 1.00 60.34 N ATOM 405 CA HIS A 29 -7.985 -5.059 -9.412 1.00 23.45 C ATOM 406 C HIS A 29 -7.947 -3.695 -8.729 1.00 74.24 C ATOM 407 O HIS A 29 -8.626 -3.473 -7.728 1.00 15.20 O ATOM 408 CB HIS A 29 -6.946 -5.987 -8.780 1.00 51.11 C ATOM 409 CG HIS A 29 -7.076 -7.415 -9.213 1.00 40.33 C ATOM 410 ND1 HIS A 29 -7.959 -8.300 -8.632 1.00 71.13 N ATOM 411 CD2 HIS A 29 -6.429 -8.109 -10.178 1.00 72.42 C ATOM 412 CE1 HIS A 29 -7.849 -9.478 -9.220 1.00 22.00 C ATOM 413 NE2 HIS A 29 -6.927 -9.389 -10.162 1.00 53.01 N ATOM 0 H HIS A 29 -6.779 -5.104 -11.127 1.00 60.34 H new ATOM 0 HA HIS A 29 -8.977 -5.488 -9.273 1.00 23.45 H new ATOM 0 HB2 HIS A 29 -5.948 -5.628 -9.034 1.00 51.11 H new ATOM 0 HB3 HIS A 29 -7.037 -5.935 -7.695 1.00 51.11 H new ATOM 0 HD2 HIS A 29 -5.664 -7.728 -10.838 1.00 72.42 H new ATOM 0 HE1 HIS A 29 -8.416 -10.363 -8.973 1.00 22.00 H new ATOM 0 HE2 HIS A 29 -6.633 -10.147 -10.777 1.00 53.01 H new ATOM 421 N ASN A 30 -7.149 -2.786 -9.279 1.00 2.23 N ATOM 422 CA ASN A 30 -7.022 -1.444 -8.722 1.00 51.20 C ATOM 423 C ASN A 30 -6.392 -1.488 -7.333 1.00 63.14 C ATOM 424 O ASN A 30 -6.859 -0.825 -6.407 1.00 75.30 O ATOM 425 CB ASN A 30 -8.393 -0.767 -8.651 1.00 25.21 C ATOM 426 CG ASN A 30 -9.198 -0.957 -9.922 1.00 3.11 C ATOM 427 OD1 ASN A 30 -9.006 -0.240 -10.904 1.00 65.44 O ATOM 428 ND2 ASN A 30 -10.106 -1.926 -9.908 1.00 4.11 N ATOM 0 H ASN A 30 -6.581 -2.954 -10.109 1.00 2.23 H new ATOM 0 HA ASN A 30 -6.372 -0.866 -9.378 1.00 51.20 H new ATOM 0 HB2 ASN A 30 -8.951 -1.171 -7.807 1.00 25.21 H new ATOM 0 HB3 ASN A 30 -8.260 0.299 -8.464 1.00 25.21 H new ATOM 0 HD21 ASN A 30 -10.679 -2.100 -10.734 1.00 4.11 H new ATOM 0 HD22 ASN A 30 -10.231 -2.496 -9.071 1.00 4.11 H new ATOM 435 N ILE A 31 -5.328 -2.273 -7.197 1.00 40.44 N ATOM 436 CA ILE A 31 -4.633 -2.402 -5.923 1.00 4.21 C ATOM 437 C ILE A 31 -3.432 -1.465 -5.854 1.00 44.44 C ATOM 438 O ILE A 31 -2.879 -1.070 -6.881 1.00 44.31 O ATOM 439 CB ILE A 31 -4.156 -3.847 -5.686 1.00 11.05 C ATOM 440 CG1 ILE A 31 -5.295 -4.833 -5.954 1.00 22.14 C ATOM 441 CG2 ILE A 31 -3.634 -4.006 -4.266 1.00 4.15 C ATOM 442 CD1 ILE A 31 -4.872 -6.283 -5.866 1.00 2.22 C ATOM 0 H ILE A 31 -4.929 -2.829 -7.954 1.00 40.44 H new ATOM 0 HA ILE A 31 -5.347 -2.131 -5.145 1.00 4.21 H new ATOM 0 HB ILE A 31 -3.342 -4.064 -6.378 1.00 11.05 H new ATOM 0 HG12 ILE A 31 -6.097 -4.653 -5.238 1.00 22.14 H new ATOM 0 HG13 ILE A 31 -5.704 -4.642 -6.946 1.00 22.14 H new ATOM 0 HG21 ILE A 31 -3.301 -5.033 -4.114 1.00 4.15 H new ATOM 0 HG22 ILE A 31 -2.797 -3.325 -4.108 1.00 4.15 H new ATOM 0 HG23 ILE A 31 -4.429 -3.774 -3.558 1.00 4.15 H new ATOM 0 HD11 ILE A 31 -5.730 -6.925 -6.067 1.00 2.22 H new ATOM 0 HD12 ILE A 31 -4.091 -6.480 -6.601 1.00 2.22 H new ATOM 0 HD13 ILE A 31 -4.490 -6.491 -4.866 1.00 2.22 H new ATOM 454 N LYS A 32 -3.031 -1.113 -4.637 1.00 72.12 N ATOM 455 CA LYS A 32 -1.893 -0.225 -4.432 1.00 53.35 C ATOM 456 C LYS A 32 -0.578 -0.970 -4.633 1.00 62.34 C ATOM 457 O LYS A 32 0.249 -1.047 -3.724 1.00 71.15 O ATOM 458 CB LYS A 32 -1.939 0.381 -3.028 1.00 31.13 C ATOM 459 CG LYS A 32 -1.961 -0.657 -1.919 1.00 15.44 C ATOM 460 CD LYS A 32 -3.238 -0.569 -1.099 1.00 21.11 C ATOM 461 CE LYS A 32 -3.755 -1.949 -0.724 1.00 21.55 C ATOM 462 NZ LYS A 32 -3.233 -2.397 0.597 1.00 22.03 N ATOM 0 H LYS A 32 -3.478 -1.430 -3.777 1.00 72.12 H new ATOM 0 HA LYS A 32 -1.952 0.576 -5.169 1.00 53.35 H new ATOM 0 HB2 LYS A 32 -1.072 1.028 -2.892 1.00 31.13 H new ATOM 0 HB3 LYS A 32 -2.824 1.011 -2.942 1.00 31.13 H new ATOM 0 HG2 LYS A 32 -1.872 -1.654 -2.351 1.00 15.44 H new ATOM 0 HG3 LYS A 32 -1.099 -0.514 -1.268 1.00 15.44 H new ATOM 0 HD2 LYS A 32 -3.052 0.009 -0.194 1.00 21.11 H new ATOM 0 HD3 LYS A 32 -4.000 -0.035 -1.667 1.00 21.11 H new ATOM 0 HE2 LYS A 32 -4.845 -1.934 -0.698 1.00 21.55 H new ATOM 0 HE3 LYS A 32 -3.465 -2.666 -1.491 1.00 21.55 H new ATOM 0 HZ1 LYS A 32 -3.608 -3.342 0.816 1.00 22.03 H new ATOM 0 HZ2 LYS A 32 -2.194 -2.436 0.565 1.00 22.03 H new ATOM 0 HZ3 LYS A 32 -3.531 -1.726 1.334 1.00 22.03 H new ATOM 476 N VAL A 33 -0.390 -1.517 -5.830 1.00 64.23 N ATOM 477 CA VAL A 33 0.827 -2.254 -6.151 1.00 73.33 C ATOM 478 C VAL A 33 1.740 -1.439 -7.059 1.00 41.33 C ATOM 479 O VAL A 33 1.316 -0.951 -8.107 1.00 41.12 O ATOM 480 CB VAL A 33 0.506 -3.596 -6.836 1.00 74.10 C ATOM 481 CG1 VAL A 33 0.075 -4.631 -5.808 1.00 13.12 C ATOM 482 CG2 VAL A 33 -0.567 -3.409 -7.898 1.00 15.42 C ATOM 0 H VAL A 33 -1.065 -1.464 -6.593 1.00 64.23 H new ATOM 0 HA VAL A 33 1.337 -2.448 -5.208 1.00 73.33 H new ATOM 0 HB VAL A 33 1.410 -3.959 -7.325 1.00 74.10 H new ATOM 0 HG11 VAL A 33 -0.148 -5.572 -6.311 1.00 13.12 H new ATOM 0 HG12 VAL A 33 0.879 -4.785 -5.088 1.00 13.12 H new ATOM 0 HG13 VAL A 33 -0.815 -4.278 -5.288 1.00 13.12 H new ATOM 0 HG21 VAL A 33 -0.781 -4.367 -8.372 1.00 15.42 H new ATOM 0 HG22 VAL A 33 -1.475 -3.023 -7.434 1.00 15.42 H new ATOM 0 HG23 VAL A 33 -0.215 -2.703 -8.650 1.00 15.42 H new ATOM 492 N ASP A 34 2.996 -1.295 -6.651 1.00 11.13 N ATOM 493 CA ASP A 34 3.971 -0.539 -7.428 1.00 62.32 C ATOM 494 C ASP A 34 4.913 -1.477 -8.178 1.00 15.12 C ATOM 495 O ASP A 34 5.864 -2.007 -7.603 1.00 50.30 O ATOM 496 CB ASP A 34 4.775 0.388 -6.515 1.00 61.22 C ATOM 497 CG ASP A 34 5.185 1.671 -7.210 1.00 1.51 C ATOM 498 OD1 ASP A 34 6.386 2.013 -7.165 1.00 53.25 O ATOM 499 OD2 ASP A 34 4.306 2.334 -7.799 1.00 33.14 O ATOM 0 H ASP A 34 3.363 -1.692 -5.786 1.00 11.13 H new ATOM 0 HA ASP A 34 3.429 0.063 -8.157 1.00 62.32 H new ATOM 0 HB2 ASP A 34 4.181 0.629 -5.633 1.00 61.22 H new ATOM 0 HB3 ASP A 34 5.666 -0.134 -6.166 1.00 61.22 H new ATOM 504 N ILE A 35 4.640 -1.678 -9.463 1.00 12.24 N ATOM 505 CA ILE A 35 5.462 -2.551 -10.290 1.00 64.31 C ATOM 506 C ILE A 35 6.855 -1.965 -10.493 1.00 42.32 C ATOM 507 O ILE A 35 7.010 -0.761 -10.700 1.00 41.14 O ATOM 508 CB ILE A 35 4.815 -2.797 -11.666 1.00 3.30 C ATOM 509 CG1 ILE A 35 3.433 -3.430 -11.498 1.00 15.30 C ATOM 510 CG2 ILE A 35 5.709 -3.682 -12.521 1.00 70.52 C ATOM 511 CD1 ILE A 35 2.724 -3.691 -12.809 1.00 25.42 C ATOM 0 H ILE A 35 3.856 -1.248 -9.953 1.00 12.24 H new ATOM 0 HA ILE A 35 5.544 -3.501 -9.761 1.00 64.31 H new ATOM 0 HB ILE A 35 4.696 -1.839 -12.172 1.00 3.30 H new ATOM 0 HG12 ILE A 35 3.536 -4.370 -10.957 1.00 15.30 H new ATOM 0 HG13 ILE A 35 2.815 -2.775 -10.884 1.00 15.30 H new ATOM 0 HG21 ILE A 35 5.238 -3.847 -13.490 1.00 70.52 H new ATOM 0 HG22 ILE A 35 6.673 -3.195 -12.664 1.00 70.52 H new ATOM 0 HG23 ILE A 35 5.857 -4.640 -12.022 1.00 70.52 H new ATOM 0 HD11 ILE A 35 1.751 -4.140 -12.613 1.00 25.42 H new ATOM 0 HD12 ILE A 35 2.589 -2.750 -13.343 1.00 25.42 H new ATOM 0 HD13 ILE A 35 3.322 -4.370 -13.417 1.00 25.42 H new ATOM 523 N LYS A 36 7.867 -2.824 -10.434 1.00 43.53 N ATOM 524 CA LYS A 36 9.249 -2.393 -10.615 1.00 15.33 C ATOM 525 C LYS A 36 10.053 -3.446 -11.370 1.00 52.00 C ATOM 526 O LYS A 36 9.821 -4.645 -11.215 1.00 43.31 O ATOM 527 CB LYS A 36 9.899 -2.115 -9.258 1.00 23.13 C ATOM 528 CG LYS A 36 9.686 -0.696 -8.759 1.00 74.35 C ATOM 529 CD LYS A 36 10.958 0.128 -8.862 1.00 53.32 C ATOM 530 CE LYS A 36 11.104 1.076 -7.682 1.00 4.14 C ATOM 531 NZ LYS A 36 10.063 2.141 -7.692 1.00 63.24 N ATOM 0 H LYS A 36 7.756 -3.823 -10.262 1.00 43.53 H new ATOM 0 HA LYS A 36 9.244 -1.475 -11.203 1.00 15.33 H new ATOM 0 HB2 LYS A 36 9.498 -2.813 -8.523 1.00 23.13 H new ATOM 0 HB3 LYS A 36 10.969 -2.308 -9.331 1.00 23.13 H new ATOM 0 HG2 LYS A 36 8.895 -0.220 -9.339 1.00 74.35 H new ATOM 0 HG3 LYS A 36 9.350 -0.720 -7.722 1.00 74.35 H new ATOM 0 HD2 LYS A 36 11.821 -0.537 -8.905 1.00 53.32 H new ATOM 0 HD3 LYS A 36 10.949 0.699 -9.790 1.00 53.32 H new ATOM 0 HE2 LYS A 36 11.036 0.511 -6.752 1.00 4.14 H new ATOM 0 HE3 LYS A 36 12.093 1.535 -7.705 1.00 4.14 H new ATOM 0 HZ1 LYS A 36 10.198 2.766 -6.872 1.00 63.24 H new ATOM 0 HZ2 LYS A 36 10.143 2.697 -8.567 1.00 63.24 H new ATOM 0 HZ3 LYS A 36 9.120 1.705 -7.644 1.00 63.24 H new ATOM 545 N GLN A 37 10.998 -2.990 -12.186 1.00 0.15 N ATOM 546 CA GLN A 37 11.836 -3.894 -12.964 1.00 24.24 C ATOM 547 C GLN A 37 13.272 -3.383 -13.032 1.00 13.25 C ATOM 548 O GLN A 37 13.522 -2.267 -13.487 1.00 50.52 O ATOM 549 CB GLN A 37 11.273 -4.057 -14.376 1.00 61.14 C ATOM 550 CG GLN A 37 11.014 -2.737 -15.084 1.00 43.22 C ATOM 551 CD GLN A 37 9.600 -2.629 -15.619 1.00 41.04 C ATOM 552 OE1 GLN A 37 9.206 -3.588 -16.449 1.00 44.22 O flip ATOM 553 NE2 GLN A 37 8.869 -1.694 -15.291 1.00 20.11 N flip ATOM 0 H GLN A 37 11.202 -2.000 -12.325 1.00 0.15 H new ATOM 0 HA GLN A 37 11.838 -4.864 -12.467 1.00 24.24 H new ATOM 0 HB2 GLN A 37 11.970 -4.648 -14.970 1.00 61.14 H new ATOM 0 HB3 GLN A 37 10.342 -4.621 -14.324 1.00 61.14 H new ATOM 0 HG2 GLN A 37 11.200 -1.915 -14.392 1.00 43.22 H new ATOM 0 HG3 GLN A 37 11.719 -2.626 -15.908 1.00 43.22 H new ATOM 0 HE21 GLN A 37 9.213 -0.979 -14.650 1.00 20.11 H new ATOM 0 HE22 GLN A 37 7.920 -1.635 -15.660 1.00 20.11 H new ATOM 562 N ILE A 38 14.210 -4.206 -12.575 1.00 51.35 N ATOM 563 CA ILE A 38 15.620 -3.836 -12.585 1.00 71.35 C ATOM 564 C ILE A 38 16.498 -5.030 -12.944 1.00 24.23 C ATOM 565 O ILE A 38 16.004 -6.139 -13.152 1.00 45.52 O ATOM 566 CB ILE A 38 16.065 -3.277 -11.221 1.00 51.34 C ATOM 567 CG1 ILE A 38 16.406 -4.420 -10.263 1.00 52.13 C ATOM 568 CG2 ILE A 38 14.977 -2.391 -10.632 1.00 45.21 C ATOM 569 CD1 ILE A 38 15.297 -5.439 -10.120 1.00 2.13 C ATOM 0 H ILE A 38 14.019 -5.133 -12.194 1.00 51.35 H new ATOM 0 HA ILE A 38 15.738 -3.060 -13.342 1.00 71.35 H new ATOM 0 HB ILE A 38 16.960 -2.672 -11.367 1.00 51.34 H new ATOM 0 HG12 ILE A 38 17.307 -4.922 -10.615 1.00 52.13 H new ATOM 0 HG13 ILE A 38 16.636 -4.005 -9.282 1.00 52.13 H new ATOM 0 HG21 ILE A 38 15.306 -2.003 -9.668 1.00 45.21 H new ATOM 0 HG22 ILE A 38 14.778 -1.560 -11.309 1.00 45.21 H new ATOM 0 HG23 ILE A 38 14.066 -2.974 -10.497 1.00 45.21 H new ATOM 0 HD11 ILE A 38 15.608 -6.220 -9.426 1.00 2.13 H new ATOM 0 HD12 ILE A 38 14.401 -4.950 -9.738 1.00 2.13 H new ATOM 0 HD13 ILE A 38 15.082 -5.882 -11.093 1.00 2.13 H new ATOM 581 N LYS A 39 17.805 -4.797 -13.012 1.00 33.11 N ATOM 582 CA LYS A 39 18.755 -5.853 -13.342 1.00 34.05 C ATOM 583 C LYS A 39 19.341 -6.472 -12.077 1.00 13.14 C ATOM 584 O LYS A 39 19.333 -5.854 -11.011 1.00 74.43 O ATOM 585 CB LYS A 39 19.879 -5.300 -14.220 1.00 2.34 C ATOM 586 CG LYS A 39 19.453 -5.021 -15.650 1.00 74.05 C ATOM 587 CD LYS A 39 19.610 -6.251 -16.529 1.00 14.02 C ATOM 588 CE LYS A 39 18.959 -6.051 -17.889 1.00 62.11 C ATOM 589 NZ LYS A 39 19.743 -5.120 -18.747 1.00 52.31 N ATOM 0 H LYS A 39 18.230 -3.886 -12.843 1.00 33.11 H new ATOM 0 HA LYS A 39 18.222 -6.629 -13.892 1.00 34.05 H new ATOM 0 HB2 LYS A 39 20.256 -4.379 -13.776 1.00 2.34 H new ATOM 0 HB3 LYS A 39 20.705 -6.011 -14.228 1.00 2.34 H new ATOM 0 HG2 LYS A 39 18.414 -4.693 -15.664 1.00 74.05 H new ATOM 0 HG3 LYS A 39 20.050 -4.204 -16.056 1.00 74.05 H new ATOM 0 HD2 LYS A 39 20.669 -6.473 -16.660 1.00 14.02 H new ATOM 0 HD3 LYS A 39 19.163 -7.113 -16.034 1.00 14.02 H new ATOM 0 HE2 LYS A 39 18.863 -7.014 -18.391 1.00 62.11 H new ATOM 0 HE3 LYS A 39 17.951 -5.659 -17.755 1.00 62.11 H new ATOM 0 HZ1 LYS A 39 19.267 -5.010 -19.665 1.00 52.31 H new ATOM 0 HZ2 LYS A 39 19.813 -4.193 -18.280 1.00 52.31 H new ATOM 0 HZ3 LYS A 39 20.697 -5.506 -18.896 1.00 52.31 H new ATOM 603 N ILE A 40 19.849 -7.693 -12.202 1.00 23.02 N ATOM 604 CA ILE A 40 20.442 -8.393 -11.069 1.00 34.22 C ATOM 605 C ILE A 40 21.486 -7.527 -10.372 1.00 72.13 C ATOM 606 O ILE A 40 21.693 -7.635 -9.163 1.00 74.31 O ATOM 607 CB ILE A 40 21.097 -9.717 -11.505 1.00 42.32 C ATOM 608 CG1 ILE A 40 21.471 -10.554 -10.280 1.00 43.14 C ATOM 609 CG2 ILE A 40 22.325 -9.443 -12.361 1.00 54.23 C ATOM 610 CD1 ILE A 40 20.280 -10.968 -9.445 1.00 62.51 C ATOM 0 H ILE A 40 19.862 -8.218 -13.076 1.00 23.02 H new ATOM 0 HA ILE A 40 19.631 -8.610 -10.373 1.00 34.22 H new ATOM 0 HB ILE A 40 20.380 -10.281 -12.102 1.00 42.32 H new ATOM 0 HG12 ILE A 40 22.002 -11.447 -10.609 1.00 43.14 H new ATOM 0 HG13 ILE A 40 22.161 -9.984 -9.657 1.00 43.14 H new ATOM 0 HG21 ILE A 40 22.777 -10.388 -12.662 1.00 54.23 H new ATOM 0 HG22 ILE A 40 22.032 -8.882 -13.249 1.00 54.23 H new ATOM 0 HG23 ILE A 40 23.047 -8.862 -11.787 1.00 54.23 H new ATOM 0 HD11 ILE A 40 20.620 -11.558 -8.594 1.00 62.51 H new ATOM 0 HD12 ILE A 40 19.761 -10.079 -9.086 1.00 62.51 H new ATOM 0 HD13 ILE A 40 19.600 -11.565 -10.052 1.00 62.51 H new ATOM 622 N THR A 41 22.142 -6.665 -11.143 1.00 75.03 N ATOM 623 CA THR A 41 23.164 -5.779 -10.601 1.00 71.21 C ATOM 624 C THR A 41 22.539 -4.543 -9.964 1.00 30.30 C ATOM 625 O THR A 41 23.087 -3.977 -9.019 1.00 62.11 O ATOM 626 CB THR A 41 24.157 -5.334 -11.691 1.00 62.21 C ATOM 627 OG1 THR A 41 25.072 -4.372 -11.156 1.00 45.53 O ATOM 628 CG2 THR A 41 23.422 -4.736 -12.881 1.00 64.23 C ATOM 0 H THR A 41 21.983 -6.562 -12.145 1.00 75.03 H new ATOM 0 HA THR A 41 23.701 -6.345 -9.840 1.00 71.21 H new ATOM 0 HB THR A 41 24.709 -6.211 -12.029 1.00 62.21 H new ATOM 0 HG1 THR A 41 25.701 -4.095 -11.855 1.00 45.53 H new ATOM 0 HG21 THR A 41 24.144 -4.429 -13.638 1.00 64.23 H new ATOM 0 HG22 THR A 41 22.748 -5.481 -13.304 1.00 64.23 H new ATOM 0 HG23 THR A 41 22.847 -3.869 -12.555 1.00 64.23 H new ATOM 636 N GLU A 42 21.389 -4.131 -10.487 1.00 55.12 N ATOM 637 CA GLU A 42 20.690 -2.961 -9.968 1.00 32.10 C ATOM 638 C GLU A 42 19.616 -3.370 -8.964 1.00 11.01 C ATOM 639 O GLU A 42 18.608 -2.683 -8.802 1.00 14.51 O ATOM 640 CB GLU A 42 20.057 -2.167 -11.113 1.00 63.40 C ATOM 641 CG GLU A 42 19.779 -0.715 -10.766 1.00 11.44 C ATOM 642 CD GLU A 42 21.042 0.122 -10.702 1.00 12.31 C ATOM 643 OE1 GLU A 42 22.142 -0.455 -10.830 1.00 1.42 O ATOM 644 OE2 GLU A 42 20.930 1.353 -10.524 1.00 43.21 O ATOM 0 H GLU A 42 20.922 -4.589 -11.269 1.00 55.12 H new ATOM 0 HA GLU A 42 21.419 -2.331 -9.458 1.00 32.10 H new ATOM 0 HB2 GLU A 42 20.718 -2.205 -11.979 1.00 63.40 H new ATOM 0 HB3 GLU A 42 19.123 -2.647 -11.404 1.00 63.40 H new ATOM 0 HG2 GLU A 42 19.104 -0.291 -11.509 1.00 11.44 H new ATOM 0 HG3 GLU A 42 19.267 -0.667 -9.805 1.00 11.44 H new ATOM 651 N VAL A 43 19.840 -4.495 -8.292 1.00 73.02 N ATOM 652 CA VAL A 43 18.893 -4.996 -7.304 1.00 34.44 C ATOM 653 C VAL A 43 19.546 -5.123 -5.932 1.00 34.12 C ATOM 654 O VAL A 43 19.081 -5.878 -5.079 1.00 14.34 O ATOM 655 CB VAL A 43 18.322 -6.366 -7.717 1.00 22.21 C ATOM 656 CG1 VAL A 43 19.350 -7.464 -7.489 1.00 44.33 C ATOM 657 CG2 VAL A 43 17.039 -6.660 -6.955 1.00 72.30 C ATOM 0 H VAL A 43 20.669 -5.076 -8.414 1.00 73.02 H new ATOM 0 HA VAL A 43 18.079 -4.273 -7.251 1.00 34.44 H new ATOM 0 HB VAL A 43 18.087 -6.336 -8.781 1.00 22.21 H new ATOM 0 HG11 VAL A 43 18.929 -8.424 -7.786 1.00 44.33 H new ATOM 0 HG12 VAL A 43 20.240 -7.258 -8.084 1.00 44.33 H new ATOM 0 HG13 VAL A 43 19.619 -7.497 -6.433 1.00 44.33 H new ATOM 0 HG21 VAL A 43 16.650 -7.632 -7.259 1.00 72.30 H new ATOM 0 HG22 VAL A 43 17.246 -6.671 -5.885 1.00 72.30 H new ATOM 0 HG23 VAL A 43 16.301 -5.888 -7.174 1.00 72.30 H new ATOM 667 N GLY A 44 20.628 -4.378 -5.726 1.00 74.12 N ATOM 668 CA GLY A 44 21.327 -4.421 -4.456 1.00 24.14 C ATOM 669 C GLY A 44 20.459 -3.965 -3.300 1.00 4.42 C ATOM 670 O GLY A 44 20.093 -4.748 -2.424 1.00 34.02 O ATOM 0 H GLY A 44 21.032 -3.746 -6.417 1.00 74.12 H new ATOM 0 HA2 GLY A 44 21.671 -5.438 -4.269 1.00 24.14 H new ATOM 0 HA3 GLY A 44 22.214 -3.790 -4.511 1.00 24.14 H new ATOM 674 N PRO A 45 20.119 -2.667 -3.287 1.00 32.31 N ATOM 675 CA PRO A 45 19.285 -2.078 -2.235 1.00 25.24 C ATOM 676 C PRO A 45 17.840 -2.558 -2.303 1.00 73.02 C ATOM 677 O PRO A 45 17.097 -2.463 -1.326 1.00 53.41 O ATOM 678 CB PRO A 45 19.364 -0.576 -2.519 1.00 24.21 C ATOM 679 CG PRO A 45 19.666 -0.482 -3.975 1.00 4.54 C ATOM 680 CD PRO A 45 20.520 -1.676 -4.299 1.00 4.11 C ATOM 0 HA PRO A 45 19.629 -2.356 -1.239 1.00 25.24 H new ATOM 0 HB2 PRO A 45 18.426 -0.077 -2.276 1.00 24.21 H new ATOM 0 HB3 PRO A 45 20.142 -0.100 -1.922 1.00 24.21 H new ATOM 0 HG2 PRO A 45 18.749 -0.486 -4.565 1.00 4.54 H new ATOM 0 HG3 PRO A 45 20.189 0.446 -4.206 1.00 4.54 H new ATOM 0 HD2 PRO A 45 20.337 -2.038 -5.311 1.00 4.11 H new ATOM 0 HD3 PRO A 45 21.582 -1.440 -4.232 1.00 4.11 H new ATOM 688 N TYR A 46 17.447 -3.074 -3.463 1.00 21.15 N ATOM 689 CA TYR A 46 16.089 -3.567 -3.659 1.00 21.32 C ATOM 690 C TYR A 46 16.004 -5.061 -3.362 1.00 72.30 C ATOM 691 O TYR A 46 15.297 -5.801 -4.045 1.00 71.15 O ATOM 692 CB TYR A 46 15.627 -3.293 -5.091 1.00 34.32 C ATOM 693 CG TYR A 46 15.712 -1.836 -5.486 1.00 61.45 C ATOM 694 CD1 TYR A 46 15.047 -0.858 -4.758 1.00 32.35 C ATOM 695 CD2 TYR A 46 16.457 -1.438 -6.589 1.00 61.14 C ATOM 696 CE1 TYR A 46 15.121 0.474 -5.116 1.00 23.05 C ATOM 697 CE2 TYR A 46 16.539 -0.108 -6.954 1.00 34.22 C ATOM 698 CZ TYR A 46 15.869 0.844 -6.214 1.00 52.00 C ATOM 699 OH TYR A 46 15.946 2.170 -6.575 1.00 23.33 O ATOM 0 H TYR A 46 18.050 -3.161 -4.281 1.00 21.15 H new ATOM 0 HA TYR A 46 15.434 -3.039 -2.966 1.00 21.32 H new ATOM 0 HB2 TYR A 46 16.233 -3.883 -5.779 1.00 34.32 H new ATOM 0 HB3 TYR A 46 14.597 -3.632 -5.203 1.00 34.32 H new ATOM 0 HD1 TYR A 46 14.462 -1.144 -3.897 1.00 32.35 H new ATOM 0 HD2 TYR A 46 16.981 -2.181 -7.171 1.00 61.14 H new ATOM 0 HE1 TYR A 46 14.596 1.221 -4.539 1.00 23.05 H new ATOM 0 HE2 TYR A 46 17.124 0.184 -7.813 1.00 34.22 H new ATOM 0 HH TYR A 46 16.513 2.260 -7.369 1.00 23.33 H new ATOM 709 N GLU A 47 16.730 -5.497 -2.337 1.00 15.22 N ATOM 710 CA GLU A 47 16.736 -6.902 -1.949 1.00 24.40 C ATOM 711 C GLU A 47 15.958 -7.113 -0.654 1.00 32.24 C ATOM 712 O GLU A 47 15.285 -8.130 -0.479 1.00 44.43 O ATOM 713 CB GLU A 47 18.173 -7.401 -1.780 1.00 41.12 C ATOM 714 CG GLU A 47 18.788 -7.933 -3.064 1.00 15.00 C ATOM 715 CD GLU A 47 18.926 -9.443 -3.062 1.00 73.04 C ATOM 716 OE1 GLU A 47 19.878 -9.953 -3.689 1.00 55.14 O ATOM 717 OE2 GLU A 47 18.081 -10.115 -2.433 1.00 42.35 O ATOM 0 H GLU A 47 17.321 -4.898 -1.761 1.00 15.22 H new ATOM 0 HA GLU A 47 16.251 -7.473 -2.741 1.00 24.40 H new ATOM 0 HB2 GLU A 47 18.790 -6.585 -1.402 1.00 41.12 H new ATOM 0 HB3 GLU A 47 18.189 -8.188 -1.026 1.00 41.12 H new ATOM 0 HG2 GLU A 47 18.172 -7.629 -3.911 1.00 15.00 H new ATOM 0 HG3 GLU A 47 19.770 -7.482 -3.206 1.00 15.00 H new ATOM 724 N ASP A 48 16.055 -6.146 0.252 1.00 53.12 N ATOM 725 CA ASP A 48 15.360 -6.224 1.532 1.00 73.15 C ATOM 726 C ASP A 48 14.126 -5.327 1.536 1.00 51.15 C ATOM 727 O ASP A 48 13.056 -5.726 1.997 1.00 11.50 O ATOM 728 CB ASP A 48 16.299 -5.826 2.671 1.00 32.02 C ATOM 729 CG ASP A 48 15.556 -5.554 3.965 1.00 65.21 C ATOM 730 OD1 ASP A 48 14.752 -6.415 4.380 1.00 41.01 O ATOM 731 OD2 ASP A 48 15.781 -4.481 4.563 1.00 75.23 O ATOM 0 H ASP A 48 16.608 -5.299 0.124 1.00 53.12 H new ATOM 0 HA ASP A 48 15.038 -7.255 1.681 1.00 73.15 H new ATOM 0 HB2 ASP A 48 17.026 -6.621 2.833 1.00 32.02 H new ATOM 0 HB3 ASP A 48 16.859 -4.936 2.383 1.00 32.02 H new ATOM 736 N THR A 49 14.282 -4.112 1.019 1.00 2.10 N ATOM 737 CA THR A 49 13.182 -3.157 0.965 1.00 24.10 C ATOM 738 C THR A 49 11.957 -3.768 0.295 1.00 13.41 C ATOM 739 O THR A 49 10.866 -3.777 0.865 1.00 41.50 O ATOM 740 CB THR A 49 13.585 -1.879 0.206 1.00 50.22 C ATOM 741 OG1 THR A 49 14.411 -2.214 -0.915 1.00 33.10 O ATOM 742 CG2 THR A 49 14.329 -0.918 1.121 1.00 51.33 C ATOM 0 H THR A 49 15.160 -3.766 0.632 1.00 2.10 H new ATOM 0 HA THR A 49 12.938 -2.897 1.995 1.00 24.10 H new ATOM 0 HB THR A 49 12.676 -1.391 -0.146 1.00 50.22 H new ATOM 0 HG1 THR A 49 15.352 -2.208 -0.641 1.00 33.10 H new ATOM 0 HG21 THR A 49 14.603 -0.023 0.563 1.00 51.33 H new ATOM 0 HG22 THR A 49 13.687 -0.641 1.957 1.00 51.33 H new ATOM 0 HG23 THR A 49 15.230 -1.400 1.499 1.00 51.33 H new ATOM 750 N ALA A 50 12.144 -4.278 -0.918 1.00 14.03 N ATOM 751 CA ALA A 50 11.053 -4.893 -1.664 1.00 21.31 C ATOM 752 C ALA A 50 10.365 -5.975 -0.838 1.00 55.33 C ATOM 753 O ALA A 50 10.936 -6.495 0.120 1.00 34.22 O ATOM 754 CB ALA A 50 11.570 -5.474 -2.972 1.00 22.03 C ATOM 0 H ALA A 50 13.040 -4.277 -1.405 1.00 14.03 H new ATOM 0 HA ALA A 50 10.317 -4.120 -1.888 1.00 21.31 H new ATOM 0 HB1 ALA A 50 10.745 -5.930 -3.519 1.00 22.03 H new ATOM 0 HB2 ALA A 50 12.009 -4.679 -3.575 1.00 22.03 H new ATOM 0 HB3 ALA A 50 12.327 -6.230 -2.761 1.00 22.03 H new ATOM 760 N ASP A 51 9.135 -6.308 -1.216 1.00 1.53 N ATOM 761 CA ASP A 51 8.368 -7.328 -0.510 1.00 5.21 C ATOM 762 C ASP A 51 8.282 -8.609 -1.334 1.00 13.05 C ATOM 763 O ASP A 51 8.355 -9.713 -0.793 1.00 33.41 O ATOM 764 CB ASP A 51 6.963 -6.813 -0.195 1.00 21.22 C ATOM 765 CG ASP A 51 6.381 -5.988 -1.326 1.00 24.31 C ATOM 766 OD1 ASP A 51 6.151 -6.554 -2.416 1.00 4.33 O ATOM 767 OD2 ASP A 51 6.155 -4.777 -1.121 1.00 64.53 O ATOM 0 H ASP A 51 8.648 -5.886 -2.007 1.00 1.53 H new ATOM 0 HA ASP A 51 8.881 -7.552 0.425 1.00 5.21 H new ATOM 0 HB2 ASP A 51 6.306 -7.659 0.009 1.00 21.22 H new ATOM 0 HB3 ASP A 51 6.996 -6.209 0.712 1.00 21.22 H new ATOM 772 N LEU A 52 8.124 -8.454 -2.643 1.00 64.45 N ATOM 773 CA LEU A 52 8.026 -9.599 -3.543 1.00 24.14 C ATOM 774 C LEU A 52 8.972 -9.442 -4.729 1.00 55.24 C ATOM 775 O LEU A 52 9.538 -8.370 -4.948 1.00 54.12 O ATOM 776 CB LEU A 52 6.589 -9.761 -4.039 1.00 54.00 C ATOM 777 CG LEU A 52 5.711 -10.731 -3.248 1.00 34.30 C ATOM 778 CD1 LEU A 52 6.193 -12.161 -3.435 1.00 23.33 C ATOM 779 CD2 LEU A 52 5.699 -10.359 -1.773 1.00 2.44 C ATOM 0 H LEU A 52 8.061 -7.547 -3.106 1.00 64.45 H new ATOM 0 HA LEU A 52 8.315 -10.492 -2.988 1.00 24.14 H new ATOM 0 HB2 LEU A 52 6.111 -8.781 -4.032 1.00 54.00 H new ATOM 0 HB3 LEU A 52 6.619 -10.093 -5.077 1.00 54.00 H new ATOM 0 HG LEU A 52 4.692 -10.660 -3.628 1.00 34.30 H new ATOM 0 HD11 LEU A 52 5.556 -12.837 -2.865 1.00 23.33 H new ATOM 0 HD12 LEU A 52 6.148 -12.425 -4.492 1.00 23.33 H new ATOM 0 HD13 LEU A 52 7.221 -12.247 -3.083 1.00 23.33 H new ATOM 0 HD21 LEU A 52 5.069 -11.060 -1.226 1.00 2.44 H new ATOM 0 HD22 LEU A 52 6.715 -10.400 -1.379 1.00 2.44 H new ATOM 0 HD23 LEU A 52 5.305 -9.350 -1.656 1.00 2.44 H new ATOM 791 N LEU A 53 9.136 -10.515 -5.494 1.00 63.50 N ATOM 792 CA LEU A 53 10.011 -10.497 -6.661 1.00 43.42 C ATOM 793 C LEU A 53 9.722 -11.681 -7.577 1.00 65.35 C ATOM 794 O LEU A 53 9.540 -12.808 -7.115 1.00 5.41 O ATOM 795 CB LEU A 53 11.477 -10.520 -6.225 1.00 22.44 C ATOM 796 CG LEU A 53 12.508 -10.671 -7.343 1.00 64.54 C ATOM 797 CD1 LEU A 53 12.267 -9.640 -8.434 1.00 43.24 C ATOM 798 CD2 LEU A 53 13.920 -10.544 -6.789 1.00 13.02 C ATOM 0 H LEU A 53 8.674 -11.409 -5.327 1.00 63.50 H new ATOM 0 HA LEU A 53 9.818 -9.578 -7.214 1.00 43.42 H new ATOM 0 HB2 LEU A 53 11.689 -9.597 -5.685 1.00 22.44 H new ATOM 0 HB3 LEU A 53 11.613 -11.340 -5.520 1.00 22.44 H new ATOM 0 HG LEU A 53 12.399 -11.664 -7.779 1.00 64.54 H new ATOM 0 HD11 LEU A 53 13.011 -9.763 -9.221 1.00 43.24 H new ATOM 0 HD12 LEU A 53 11.270 -9.779 -8.852 1.00 43.24 H new ATOM 0 HD13 LEU A 53 12.347 -8.638 -8.012 1.00 43.24 H new ATOM 0 HD21 LEU A 53 14.640 -10.654 -7.600 1.00 13.02 H new ATOM 0 HD22 LEU A 53 14.042 -9.565 -6.326 1.00 13.02 H new ATOM 0 HD23 LEU A 53 14.090 -11.322 -6.044 1.00 13.02 H new ATOM 810 N VAL A 54 9.684 -11.420 -8.880 1.00 51.32 N ATOM 811 CA VAL A 54 9.421 -12.465 -9.862 1.00 52.34 C ATOM 812 C VAL A 54 10.605 -12.643 -10.806 1.00 52.41 C ATOM 813 O VAL A 54 10.994 -11.714 -11.515 1.00 54.22 O ATOM 814 CB VAL A 54 8.161 -12.152 -10.691 1.00 15.12 C ATOM 815 CG1 VAL A 54 7.816 -13.321 -11.601 1.00 12.21 C ATOM 816 CG2 VAL A 54 6.992 -11.815 -9.776 1.00 45.14 C ATOM 0 H VAL A 54 9.832 -10.493 -9.280 1.00 51.32 H new ATOM 0 HA VAL A 54 9.261 -13.389 -9.306 1.00 52.34 H new ATOM 0 HB VAL A 54 8.366 -11.284 -11.317 1.00 15.12 H new ATOM 0 HG11 VAL A 54 6.923 -13.081 -12.179 1.00 12.21 H new ATOM 0 HG12 VAL A 54 8.647 -13.511 -12.280 1.00 12.21 H new ATOM 0 HG13 VAL A 54 7.630 -14.209 -10.997 1.00 12.21 H new ATOM 0 HG21 VAL A 54 6.110 -11.596 -10.378 1.00 45.14 H new ATOM 0 HG22 VAL A 54 6.785 -12.663 -9.123 1.00 45.14 H new ATOM 0 HG23 VAL A 54 7.243 -10.944 -9.171 1.00 45.14 H new ATOM 826 N THR A 55 11.176 -13.843 -10.811 1.00 33.21 N ATOM 827 CA THR A 55 12.316 -14.144 -11.667 1.00 2.20 C ATOM 828 C THR A 55 12.198 -15.539 -12.270 1.00 43.35 C ATOM 829 O THR A 55 11.634 -16.446 -11.658 1.00 65.41 O ATOM 830 CB THR A 55 13.643 -14.043 -10.891 1.00 20.10 C ATOM 831 OG1 THR A 55 14.728 -14.483 -11.716 1.00 34.42 O ATOM 832 CG2 THR A 55 13.592 -14.880 -9.622 1.00 4.04 C ATOM 0 H THR A 55 10.867 -14.623 -10.231 1.00 33.21 H new ATOM 0 HA THR A 55 12.314 -13.404 -12.467 1.00 2.20 H new ATOM 0 HB THR A 55 13.798 -13.000 -10.614 1.00 20.10 H new ATOM 0 HG1 THR A 55 15.249 -15.161 -11.237 1.00 34.42 H new ATOM 0 HG21 THR A 55 14.540 -14.793 -9.091 1.00 4.04 H new ATOM 0 HG22 THR A 55 12.784 -14.524 -8.983 1.00 4.04 H new ATOM 0 HG23 THR A 55 13.416 -15.924 -9.882 1.00 4.04 H new ATOM 840 N THR A 56 12.734 -15.704 -13.476 1.00 23.42 N ATOM 841 CA THR A 56 12.689 -16.989 -14.162 1.00 73.05 C ATOM 842 C THR A 56 13.717 -17.956 -13.588 1.00 63.41 C ATOM 843 O THR A 56 13.470 -19.159 -13.498 1.00 43.43 O ATOM 844 CB THR A 56 12.940 -16.828 -15.674 1.00 3.55 C ATOM 845 OG1 THR A 56 14.131 -16.063 -15.893 1.00 23.51 O ATOM 846 CG2 THR A 56 11.761 -16.143 -16.348 1.00 61.24 C ATOM 0 H THR A 56 13.204 -14.964 -13.997 1.00 23.42 H new ATOM 0 HA THR A 56 11.689 -17.394 -14.008 1.00 73.05 H new ATOM 0 HB THR A 56 13.060 -17.820 -16.108 1.00 3.55 H new ATOM 0 HG1 THR A 56 13.909 -15.248 -16.390 1.00 23.51 H new ATOM 0 HG21 THR A 56 11.961 -16.040 -17.415 1.00 61.24 H new ATOM 0 HG22 THR A 56 10.861 -16.741 -16.203 1.00 61.24 H new ATOM 0 HG23 THR A 56 11.615 -15.156 -15.910 1.00 61.24 H new ATOM 854 N ALA A 57 14.871 -17.424 -13.200 1.00 4.21 N ATOM 855 CA ALA A 57 15.937 -18.240 -12.631 1.00 74.43 C ATOM 856 C ALA A 57 16.400 -17.682 -11.290 1.00 71.00 C ATOM 857 O ALA A 57 16.204 -16.503 -10.997 1.00 50.11 O ATOM 858 CB ALA A 57 17.106 -18.331 -13.600 1.00 4.10 C ATOM 0 H ALA A 57 15.092 -16.431 -13.269 1.00 4.21 H new ATOM 0 HA ALA A 57 15.542 -19.242 -12.460 1.00 74.43 H new ATOM 0 HB1 ALA A 57 17.895 -18.943 -13.162 1.00 4.10 H new ATOM 0 HB2 ALA A 57 16.771 -18.784 -14.533 1.00 4.10 H new ATOM 0 HB3 ALA A 57 17.492 -17.331 -13.800 1.00 4.10 H new ATOM 864 N MET A 58 17.014 -18.537 -10.479 1.00 4.10 N ATOM 865 CA MET A 58 17.506 -18.128 -9.168 1.00 51.54 C ATOM 866 C MET A 58 18.939 -17.613 -9.261 1.00 70.45 C ATOM 867 O MET A 58 19.551 -17.638 -10.330 1.00 73.01 O ATOM 868 CB MET A 58 17.434 -19.297 -8.185 1.00 22.30 C ATOM 869 CG MET A 58 18.292 -20.485 -8.590 1.00 30.11 C ATOM 870 SD MET A 58 18.550 -21.649 -7.237 1.00 50.20 S ATOM 871 CE MET A 58 19.355 -22.997 -8.099 1.00 1.21 C ATOM 0 H MET A 58 17.183 -19.517 -10.706 1.00 4.10 H new ATOM 0 HA MET A 58 16.871 -17.319 -8.806 1.00 51.54 H new ATOM 0 HB2 MET A 58 17.747 -18.952 -7.200 1.00 22.30 H new ATOM 0 HB3 MET A 58 16.397 -19.622 -8.095 1.00 22.30 H new ATOM 0 HG2 MET A 58 17.818 -21.003 -9.424 1.00 30.11 H new ATOM 0 HG3 MET A 58 19.258 -20.126 -8.945 1.00 30.11 H new ATOM 0 HE1 MET A 58 19.579 -23.797 -7.394 1.00 1.21 H new ATOM 0 HE2 MET A 58 18.695 -23.375 -8.880 1.00 1.21 H new ATOM 0 HE3 MET A 58 20.281 -22.640 -8.549 1.00 1.21 H new ATOM 881 N THR A 59 19.470 -17.147 -8.135 1.00 62.15 N ATOM 882 CA THR A 59 20.830 -16.626 -8.091 1.00 4.24 C ATOM 883 C THR A 59 21.582 -17.153 -6.874 1.00 34.34 C ATOM 884 O THR A 59 21.004 -17.823 -6.017 1.00 25.31 O ATOM 885 CB THR A 59 20.841 -15.086 -8.058 1.00 41.25 C ATOM 886 OG1 THR A 59 22.178 -14.601 -8.230 1.00 74.44 O ATOM 887 CG2 THR A 59 20.274 -14.568 -6.745 1.00 74.04 C ATOM 0 H THR A 59 18.979 -17.120 -7.242 1.00 62.15 H new ATOM 0 HA THR A 59 21.328 -16.967 -8.999 1.00 4.24 H new ATOM 0 HB THR A 59 20.216 -14.724 -8.874 1.00 41.25 H new ATOM 0 HG1 THR A 59 22.176 -13.621 -8.210 1.00 74.44 H new ATOM 0 HG21 THR A 59 20.292 -13.478 -6.746 1.00 74.04 H new ATOM 0 HG22 THR A 59 19.247 -14.914 -6.631 1.00 74.04 H new ATOM 0 HG23 THR A 59 20.876 -14.941 -5.916 1.00 74.04 H new ATOM 895 N LYS A 60 22.872 -16.847 -6.802 1.00 45.23 N ATOM 896 CA LYS A 60 23.704 -17.288 -5.689 1.00 32.13 C ATOM 897 C LYS A 60 23.398 -16.484 -4.429 1.00 75.21 C ATOM 898 O LYS A 60 23.410 -17.019 -3.320 1.00 43.01 O ATOM 899 CB LYS A 60 25.186 -17.151 -6.046 1.00 74.40 C ATOM 900 CG LYS A 60 25.532 -17.691 -7.423 1.00 35.41 C ATOM 901 CD LYS A 60 27.016 -17.994 -7.547 1.00 15.44 C ATOM 902 CE LYS A 60 27.301 -18.911 -8.726 1.00 21.25 C ATOM 903 NZ LYS A 60 27.028 -20.338 -8.397 1.00 1.21 N ATOM 0 H LYS A 60 23.365 -16.294 -7.503 1.00 45.23 H new ATOM 0 HA LYS A 60 23.479 -18.337 -5.494 1.00 32.13 H new ATOM 0 HB2 LYS A 60 25.467 -16.099 -5.996 1.00 74.40 H new ATOM 0 HB3 LYS A 60 25.781 -17.676 -5.299 1.00 74.40 H new ATOM 0 HG2 LYS A 60 24.958 -18.597 -7.614 1.00 35.41 H new ATOM 0 HG3 LYS A 60 25.243 -16.965 -8.183 1.00 35.41 H new ATOM 0 HD2 LYS A 60 27.570 -17.063 -7.667 1.00 15.44 H new ATOM 0 HD3 LYS A 60 27.371 -18.460 -6.628 1.00 15.44 H new ATOM 0 HE2 LYS A 60 26.689 -18.611 -9.576 1.00 21.25 H new ATOM 0 HE3 LYS A 60 28.342 -18.801 -9.029 1.00 21.25 H new ATOM 0 HZ1 LYS A 60 27.234 -20.931 -9.226 1.00 1.21 H new ATOM 0 HZ2 LYS A 60 27.631 -20.632 -7.602 1.00 1.21 H new ATOM 0 HZ3 LYS A 60 26.028 -20.448 -8.133 1.00 1.21 H new ATOM 917 N LYS A 61 23.121 -15.197 -4.607 1.00 52.10 N ATOM 918 CA LYS A 61 22.808 -14.319 -3.486 1.00 1.13 C ATOM 919 C LYS A 61 21.654 -14.879 -2.661 1.00 73.42 C ATOM 920 O LYS A 61 21.025 -15.864 -3.047 1.00 62.40 O ATOM 921 CB LYS A 61 22.455 -12.918 -3.991 1.00 70.21 C ATOM 922 CG LYS A 61 22.794 -11.813 -3.006 1.00 42.22 C ATOM 923 CD LYS A 61 23.045 -10.492 -3.715 1.00 30.22 C ATOM 924 CE LYS A 61 24.481 -10.386 -4.203 1.00 45.33 C ATOM 925 NZ LYS A 61 25.455 -10.439 -3.078 1.00 3.41 N ATOM 0 H LYS A 61 23.107 -14.738 -5.518 1.00 52.10 H new ATOM 0 HA LYS A 61 23.690 -14.257 -2.849 1.00 1.13 H new ATOM 0 HB2 LYS A 61 22.984 -12.734 -4.926 1.00 70.21 H new ATOM 0 HB3 LYS A 61 21.389 -12.879 -4.215 1.00 70.21 H new ATOM 0 HG2 LYS A 61 21.977 -11.696 -2.294 1.00 42.22 H new ATOM 0 HG3 LYS A 61 23.678 -12.093 -2.433 1.00 42.22 H new ATOM 0 HD2 LYS A 61 22.364 -10.397 -4.561 1.00 30.22 H new ATOM 0 HD3 LYS A 61 22.828 -9.667 -3.037 1.00 30.22 H new ATOM 0 HE2 LYS A 61 24.688 -11.197 -4.901 1.00 45.33 H new ATOM 0 HE3 LYS A 61 24.610 -9.453 -4.751 1.00 45.33 H new ATOM 0 HZ1 LYS A 61 26.341 -9.974 -3.363 1.00 3.41 H new ATOM 0 HZ2 LYS A 61 25.058 -9.949 -2.251 1.00 3.41 H new ATOM 0 HZ3 LYS A 61 25.648 -11.431 -2.832 1.00 3.41 H new ATOM 939 N GLU A 62 21.380 -14.244 -1.526 1.00 21.31 N ATOM 940 CA GLU A 62 20.300 -14.681 -0.648 1.00 42.44 C ATOM 941 C GLU A 62 19.147 -13.681 -0.666 1.00 4.12 C ATOM 942 O GLU A 62 19.285 -12.550 -0.199 1.00 42.12 O ATOM 943 CB GLU A 62 20.815 -14.857 0.782 1.00 61.34 C ATOM 944 CG GLU A 62 21.679 -13.705 1.264 1.00 4.51 C ATOM 945 CD GLU A 62 22.202 -13.917 2.672 1.00 42.34 C ATOM 946 OE1 GLU A 62 21.376 -14.081 3.594 1.00 42.35 O ATOM 947 OE2 GLU A 62 23.438 -13.919 2.851 1.00 42.24 O ATOM 0 H GLU A 62 21.890 -13.426 -1.193 1.00 21.31 H new ATOM 0 HA GLU A 62 19.933 -15.640 -1.014 1.00 42.44 H new ATOM 0 HB2 GLU A 62 19.964 -14.968 1.454 1.00 61.34 H new ATOM 0 HB3 GLU A 62 21.390 -15.781 0.841 1.00 61.34 H new ATOM 0 HG2 GLU A 62 22.521 -13.577 0.583 1.00 4.51 H new ATOM 0 HG3 GLU A 62 21.099 -12.782 1.231 1.00 4.51 H new ATOM 954 N TYR A 63 18.012 -14.106 -1.208 1.00 33.35 N ATOM 955 CA TYR A 63 16.835 -13.249 -1.289 1.00 45.51 C ATOM 956 C TYR A 63 16.100 -13.204 0.047 1.00 43.40 C ATOM 957 O TYR A 63 15.891 -14.233 0.689 1.00 15.12 O ATOM 958 CB TYR A 63 15.892 -13.744 -2.387 1.00 1.15 C ATOM 959 CG TYR A 63 16.393 -13.468 -3.786 1.00 45.20 C ATOM 960 CD1 TYR A 63 16.638 -14.507 -4.675 1.00 25.41 C ATOM 961 CD2 TYR A 63 16.623 -12.168 -4.219 1.00 40.13 C ATOM 962 CE1 TYR A 63 17.097 -14.260 -5.954 1.00 62.13 C ATOM 963 CE2 TYR A 63 17.080 -11.911 -5.497 1.00 62.13 C ATOM 964 CZ TYR A 63 17.316 -12.960 -6.361 1.00 21.41 C ATOM 965 OH TYR A 63 17.773 -12.709 -7.634 1.00 51.14 O ATOM 0 H TYR A 63 17.882 -15.039 -1.598 1.00 33.35 H new ATOM 0 HA TYR A 63 17.168 -12.240 -1.533 1.00 45.51 H new ATOM 0 HB2 TYR A 63 15.742 -14.817 -2.269 1.00 1.15 H new ATOM 0 HB3 TYR A 63 14.919 -13.270 -2.259 1.00 1.15 H new ATOM 0 HD1 TYR A 63 16.467 -15.526 -4.360 1.00 25.41 H new ATOM 0 HD2 TYR A 63 16.441 -11.344 -3.545 1.00 40.13 H new ATOM 0 HE1 TYR A 63 17.283 -15.080 -6.632 1.00 62.13 H new ATOM 0 HE2 TYR A 63 17.252 -10.894 -5.818 1.00 62.13 H new ATOM 0 HH TYR A 63 17.874 -11.742 -7.761 1.00 51.14 H new ATOM 975 N LYS A 64 15.710 -12.002 0.460 1.00 60.52 N ATOM 976 CA LYS A 64 14.996 -11.820 1.718 1.00 1.00 C ATOM 977 C LYS A 64 13.489 -11.769 1.486 1.00 23.42 C ATOM 978 O LYS A 64 12.774 -11.021 2.152 1.00 35.13 O ATOM 979 CB LYS A 64 15.460 -10.536 2.410 1.00 72.03 C ATOM 980 CG LYS A 64 16.951 -10.504 2.697 1.00 60.23 C ATOM 981 CD LYS A 64 17.276 -11.157 4.029 1.00 25.54 C ATOM 982 CE LYS A 64 17.422 -12.665 3.890 1.00 34.14 C ATOM 983 NZ LYS A 64 18.239 -13.247 4.991 1.00 61.44 N ATOM 0 H LYS A 64 15.877 -11.140 -0.059 1.00 60.52 H new ATOM 0 HA LYS A 64 15.218 -12.672 2.360 1.00 1.00 H new ATOM 0 HB2 LYS A 64 15.201 -9.682 1.784 1.00 72.03 H new ATOM 0 HB3 LYS A 64 14.916 -10.421 3.347 1.00 72.03 H new ATOM 0 HG2 LYS A 64 17.487 -11.017 1.899 1.00 60.23 H new ATOM 0 HG3 LYS A 64 17.299 -9.471 2.702 1.00 60.23 H new ATOM 0 HD2 LYS A 64 18.200 -10.736 4.426 1.00 25.54 H new ATOM 0 HD3 LYS A 64 16.488 -10.931 4.748 1.00 25.54 H new ATOM 0 HE2 LYS A 64 16.435 -13.127 3.887 1.00 34.14 H new ATOM 0 HE3 LYS A 64 17.886 -12.898 2.931 1.00 34.14 H new ATOM 0 HZ1 LYS A 64 18.315 -14.276 4.860 1.00 61.44 H new ATOM 0 HZ2 LYS A 64 19.190 -12.825 4.978 1.00 61.44 H new ATOM 0 HZ3 LYS A 64 17.784 -13.047 5.904 1.00 61.44 H new ATOM 997 N PHE A 65 13.014 -12.571 0.539 1.00 13.10 N ATOM 998 CA PHE A 65 11.591 -12.618 0.220 1.00 5.41 C ATOM 999 C PHE A 65 11.249 -13.888 -0.553 1.00 12.13 C ATOM 1000 O PHE A 65 12.104 -14.513 -1.181 1.00 10.53 O ATOM 1001 CB PHE A 65 11.189 -11.387 -0.595 1.00 44.13 C ATOM 1002 CG PHE A 65 12.192 -11.012 -1.649 1.00 71.42 C ATOM 1003 CD1 PHE A 65 12.846 -9.792 -1.599 1.00 63.22 C ATOM 1004 CD2 PHE A 65 12.479 -11.880 -2.690 1.00 64.43 C ATOM 1005 CE1 PHE A 65 13.770 -9.444 -2.567 1.00 73.52 C ATOM 1006 CE2 PHE A 65 13.402 -11.538 -3.661 1.00 20.42 C ATOM 1007 CZ PHE A 65 14.047 -10.319 -3.600 1.00 0.51 C ATOM 0 H PHE A 65 13.593 -13.197 -0.021 1.00 13.10 H new ATOM 0 HA PHE A 65 11.034 -12.623 1.157 1.00 5.41 H new ATOM 0 HB2 PHE A 65 10.227 -11.575 -1.071 1.00 44.13 H new ATOM 0 HB3 PHE A 65 11.051 -10.543 0.081 1.00 44.13 H new ATOM 0 HD1 PHE A 65 12.632 -9.104 -0.794 1.00 63.22 H new ATOM 0 HD2 PHE A 65 11.976 -12.834 -2.744 1.00 64.43 H new ATOM 0 HE1 PHE A 65 14.274 -8.490 -2.516 1.00 73.52 H new ATOM 0 HE2 PHE A 65 13.618 -12.224 -4.467 1.00 20.42 H new ATOM 0 HZ PHE A 65 14.767 -10.050 -4.359 1.00 0.51 H new ATOM 1017 N PRO A 66 9.967 -14.281 -0.506 1.00 42.40 N ATOM 1018 CA PRO A 66 9.481 -15.479 -1.196 1.00 31.33 C ATOM 1019 C PRO A 66 9.477 -15.315 -2.712 1.00 4.34 C ATOM 1020 O PRO A 66 8.442 -15.027 -3.313 1.00 21.44 O ATOM 1021 CB PRO A 66 8.051 -15.635 -0.671 1.00 42.23 C ATOM 1022 CG PRO A 66 7.644 -14.260 -0.269 1.00 54.51 C ATOM 1023 CD PRO A 66 8.894 -13.584 0.223 1.00 31.41 C ATOM 0 HA PRO A 66 10.117 -16.344 -1.006 1.00 31.33 H new ATOM 0 HB2 PRO A 66 7.389 -16.036 -1.439 1.00 42.23 H new ATOM 0 HB3 PRO A 66 8.012 -16.323 0.174 1.00 42.23 H new ATOM 0 HG2 PRO A 66 7.214 -13.719 -1.112 1.00 54.51 H new ATOM 0 HG3 PRO A 66 6.884 -14.291 0.512 1.00 54.51 H new ATOM 0 HD2 PRO A 66 8.887 -12.516 0.004 1.00 31.41 H new ATOM 0 HD3 PRO A 66 9.009 -13.687 1.302 1.00 31.41 H new ATOM 1031 N VAL A 67 10.642 -15.499 -3.325 1.00 62.01 N ATOM 1032 CA VAL A 67 10.773 -15.372 -4.772 1.00 32.53 C ATOM 1033 C VAL A 67 9.759 -16.253 -5.494 1.00 44.01 C ATOM 1034 O VAL A 67 9.411 -17.334 -5.019 1.00 21.14 O ATOM 1035 CB VAL A 67 12.190 -15.748 -5.242 1.00 65.12 C ATOM 1036 CG1 VAL A 67 12.328 -15.539 -6.742 1.00 44.44 C ATOM 1037 CG2 VAL A 67 13.234 -14.941 -4.485 1.00 21.23 C ATOM 0 H VAL A 67 11.509 -15.736 -2.842 1.00 62.01 H new ATOM 0 HA VAL A 67 10.583 -14.327 -5.017 1.00 32.53 H new ATOM 0 HB VAL A 67 12.356 -16.804 -5.030 1.00 65.12 H new ATOM 0 HG11 VAL A 67 13.336 -15.810 -7.056 1.00 44.44 H new ATOM 0 HG12 VAL A 67 11.605 -16.165 -7.265 1.00 44.44 H new ATOM 0 HG13 VAL A 67 12.142 -14.492 -6.982 1.00 44.44 H new ATOM 0 HG21 VAL A 67 14.230 -15.220 -4.830 1.00 21.23 H new ATOM 0 HG22 VAL A 67 13.072 -13.878 -4.664 1.00 21.23 H new ATOM 0 HG23 VAL A 67 13.149 -15.146 -3.418 1.00 21.23 H new ATOM 1047 N ILE A 68 9.290 -15.783 -6.645 1.00 63.52 N ATOM 1048 CA ILE A 68 8.318 -16.529 -7.434 1.00 72.22 C ATOM 1049 C ILE A 68 8.884 -16.895 -8.802 1.00 41.21 C ATOM 1050 O ILE A 68 9.695 -16.161 -9.366 1.00 20.25 O ATOM 1051 CB ILE A 68 7.016 -15.728 -7.627 1.00 65.52 C ATOM 1052 CG1 ILE A 68 6.504 -15.214 -6.280 1.00 71.34 C ATOM 1053 CG2 ILE A 68 5.962 -16.588 -8.308 1.00 51.34 C ATOM 1054 CD1 ILE A 68 6.146 -16.317 -5.309 1.00 24.31 C ATOM 0 H ILE A 68 9.567 -14.890 -7.052 1.00 63.52 H new ATOM 0 HA ILE A 68 8.096 -17.441 -6.880 1.00 72.22 H new ATOM 0 HB ILE A 68 7.225 -14.870 -8.266 1.00 65.52 H new ATOM 0 HG12 ILE A 68 7.266 -14.578 -5.830 1.00 71.34 H new ATOM 0 HG13 ILE A 68 5.626 -14.590 -6.448 1.00 71.34 H new ATOM 0 HG21 ILE A 68 5.048 -16.009 -8.438 1.00 51.34 H new ATOM 0 HG22 ILE A 68 6.329 -16.910 -9.283 1.00 51.34 H new ATOM 0 HG23 ILE A 68 5.753 -17.463 -7.692 1.00 51.34 H new ATOM 0 HD11 ILE A 68 5.791 -15.879 -4.376 1.00 24.31 H new ATOM 0 HD12 ILE A 68 5.362 -16.940 -5.739 1.00 24.31 H new ATOM 0 HD13 ILE A 68 7.027 -16.928 -5.111 1.00 24.31 H new ATOM 1066 N ASN A 69 8.449 -18.034 -9.331 1.00 42.23 N ATOM 1067 CA ASN A 69 8.912 -18.497 -10.635 1.00 11.34 C ATOM 1068 C ASN A 69 8.062 -17.906 -11.755 1.00 55.21 C ATOM 1069 O ASN A 69 6.839 -17.826 -11.644 1.00 14.23 O ATOM 1070 CB ASN A 69 8.871 -20.025 -10.700 1.00 44.21 C ATOM 1071 CG ASN A 69 9.383 -20.672 -9.428 1.00 11.25 C ATOM 1072 OD1 ASN A 69 8.725 -21.537 -8.850 1.00 73.21 O ATOM 1073 ND2 ASN A 69 10.563 -20.253 -8.984 1.00 73.42 N ATOM 0 H ASN A 69 7.777 -18.653 -8.878 1.00 42.23 H new ATOM 0 HA ASN A 69 9.941 -18.162 -10.768 1.00 11.34 H new ATOM 0 HB2 ASN A 69 7.847 -20.351 -10.883 1.00 44.21 H new ATOM 0 HB3 ASN A 69 9.470 -20.366 -11.544 1.00 44.21 H new ATOM 0 HD21 ASN A 69 10.958 -20.651 -8.132 1.00 73.42 H new ATOM 0 HD22 ASN A 69 11.074 -19.533 -9.495 1.00 73.42 H new ATOM 1080 N ALA A 70 8.718 -17.494 -12.835 1.00 3.14 N ATOM 1081 CA ALA A 70 8.023 -16.913 -13.976 1.00 60.04 C ATOM 1082 C ALA A 70 8.108 -17.827 -15.194 1.00 30.20 C ATOM 1083 O ALA A 70 8.210 -17.359 -16.328 1.00 15.51 O ATOM 1084 CB ALA A 70 8.597 -15.542 -14.302 1.00 61.12 C ATOM 0 H ALA A 70 9.731 -17.552 -12.943 1.00 3.14 H new ATOM 0 HA ALA A 70 6.972 -16.801 -13.711 1.00 60.04 H new ATOM 0 HB1 ALA A 70 8.068 -15.120 -15.157 1.00 61.12 H new ATOM 0 HB2 ALA A 70 8.479 -14.884 -13.441 1.00 61.12 H new ATOM 0 HB3 ALA A 70 9.656 -15.639 -14.542 1.00 61.12 H new ATOM 1090 N ARG A 71 8.066 -19.133 -14.952 1.00 25.24 N ATOM 1091 CA ARG A 71 8.141 -20.113 -16.029 1.00 12.13 C ATOM 1092 C ARG A 71 6.932 -19.997 -16.953 1.00 64.22 C ATOM 1093 O ARG A 71 7.046 -20.178 -18.165 1.00 11.03 O ATOM 1094 CB ARG A 71 8.223 -21.528 -15.455 1.00 24.44 C ATOM 1095 CG ARG A 71 9.384 -21.729 -14.494 1.00 31.23 C ATOM 1096 CD ARG A 71 10.646 -22.157 -15.226 1.00 70.03 C ATOM 1097 NE ARG A 71 10.470 -23.429 -15.923 1.00 2.42 N ATOM 1098 CZ ARG A 71 11.438 -24.034 -16.603 1.00 14.13 C ATOM 1099 NH1 ARG A 71 12.643 -23.487 -16.677 1.00 11.52 N ATOM 1100 NH2 ARG A 71 11.200 -25.190 -17.210 1.00 42.40 N ATOM 0 H ARG A 71 7.980 -19.537 -14.019 1.00 25.24 H new ATOM 0 HA ARG A 71 9.042 -19.911 -16.609 1.00 12.13 H new ATOM 0 HB2 ARG A 71 7.291 -21.756 -14.938 1.00 24.44 H new ATOM 0 HB3 ARG A 71 8.314 -22.239 -16.276 1.00 24.44 H new ATOM 0 HG2 ARG A 71 9.573 -20.803 -13.952 1.00 31.23 H new ATOM 0 HG3 ARG A 71 9.118 -22.483 -13.753 1.00 31.23 H new ATOM 0 HD2 ARG A 71 10.928 -21.386 -15.944 1.00 70.03 H new ATOM 0 HD3 ARG A 71 11.466 -22.244 -14.514 1.00 70.03 H new ATOM 0 HE ARG A 71 9.554 -23.877 -15.886 1.00 2.42 H new ATOM 0 HH11 ARG A 71 12.829 -22.599 -16.211 1.00 11.52 H new ATOM 0 HH12 ARG A 71 13.384 -23.954 -17.200 1.00 11.52 H new ATOM 0 HH21 ARG A 71 10.274 -25.614 -17.155 1.00 42.40 H new ATOM 0 HH22 ARG A 71 11.943 -25.654 -17.732 1.00 42.40 H new ATOM 1114 N ASN A 72 5.776 -19.695 -16.372 1.00 31.10 N ATOM 1115 CA ASN A 72 4.546 -19.556 -17.143 1.00 60.44 C ATOM 1116 C ASN A 72 4.573 -18.284 -17.985 1.00 74.44 C ATOM 1117 O ASN A 72 4.028 -18.246 -19.089 1.00 61.00 O ATOM 1118 CB ASN A 72 3.334 -19.539 -16.210 1.00 55.45 C ATOM 1119 CG ASN A 72 2.178 -20.361 -16.748 1.00 42.21 C ATOM 1120 OD1 ASN A 72 2.270 -20.952 -17.824 1.00 25.31 O ATOM 1121 ND2 ASN A 72 1.082 -20.401 -16.000 1.00 22.25 N ATOM 0 H ASN A 72 5.665 -19.542 -15.370 1.00 31.10 H new ATOM 0 HA ASN A 72 4.467 -20.412 -17.813 1.00 60.44 H new ATOM 0 HB2 ASN A 72 3.626 -19.924 -15.233 1.00 55.45 H new ATOM 0 HB3 ASN A 72 3.007 -18.510 -16.063 1.00 55.45 H new ATOM 0 HD21 ASN A 72 0.272 -20.937 -16.311 1.00 22.25 H new ATOM 0 HD22 ASN A 72 1.050 -19.896 -15.115 1.00 22.25 H new ATOM 1128 N PHE A 73 5.210 -17.245 -17.457 1.00 42.12 N ATOM 1129 CA PHE A 73 5.308 -15.971 -18.159 1.00 51.44 C ATOM 1130 C PHE A 73 6.197 -16.096 -19.393 1.00 74.44 C ATOM 1131 O PHE A 73 6.013 -15.383 -20.380 1.00 50.44 O ATOM 1132 CB PHE A 73 5.861 -14.891 -17.227 1.00 30.24 C ATOM 1133 CG PHE A 73 4.837 -14.335 -16.279 1.00 75.14 C ATOM 1134 CD1 PHE A 73 4.654 -14.898 -15.027 1.00 30.42 C ATOM 1135 CD2 PHE A 73 4.056 -13.249 -16.642 1.00 33.41 C ATOM 1136 CE1 PHE A 73 3.712 -14.389 -14.152 1.00 44.15 C ATOM 1137 CE2 PHE A 73 3.113 -12.735 -15.772 1.00 30.42 C ATOM 1138 CZ PHE A 73 2.940 -13.307 -14.526 1.00 42.41 C ATOM 0 H PHE A 73 5.666 -17.260 -16.545 1.00 42.12 H new ATOM 0 HA PHE A 73 4.307 -15.686 -18.481 1.00 51.44 H new ATOM 0 HB2 PHE A 73 6.688 -15.307 -16.652 1.00 30.24 H new ATOM 0 HB3 PHE A 73 6.268 -14.078 -17.828 1.00 30.24 H new ATOM 0 HD1 PHE A 73 5.255 -15.745 -14.730 1.00 30.42 H new ATOM 0 HD2 PHE A 73 4.186 -12.799 -17.615 1.00 33.41 H new ATOM 0 HE1 PHE A 73 3.580 -14.837 -13.178 1.00 44.15 H new ATOM 0 HE2 PHE A 73 2.512 -11.887 -16.066 1.00 30.42 H new ATOM 0 HZ PHE A 73 2.202 -12.908 -13.846 1.00 42.41 H new ATOM 1148 N LEU A 74 7.161 -17.008 -19.330 1.00 75.32 N ATOM 1149 CA LEU A 74 8.079 -17.229 -20.442 1.00 4.44 C ATOM 1150 C LEU A 74 7.318 -17.393 -21.753 1.00 61.51 C ATOM 1151 O LEU A 74 7.778 -16.960 -22.810 1.00 0.40 O ATOM 1152 CB LEU A 74 8.941 -18.465 -20.180 1.00 34.43 C ATOM 1153 CG LEU A 74 10.426 -18.333 -20.518 1.00 72.14 C ATOM 1154 CD1 LEU A 74 10.612 -18.053 -22.002 1.00 22.34 C ATOM 1155 CD2 LEU A 74 11.068 -17.236 -19.682 1.00 10.00 C ATOM 0 H LEU A 74 7.327 -17.606 -18.521 1.00 75.32 H new ATOM 0 HA LEU A 74 8.725 -16.355 -20.526 1.00 4.44 H new ATOM 0 HB2 LEU A 74 8.851 -18.729 -19.126 1.00 34.43 H new ATOM 0 HB3 LEU A 74 8.531 -19.297 -20.753 1.00 34.43 H new ATOM 0 HG LEU A 74 10.918 -19.276 -20.282 1.00 72.14 H new ATOM 0 HD11 LEU A 74 11.675 -17.962 -22.225 1.00 22.34 H new ATOM 0 HD12 LEU A 74 10.188 -18.872 -22.583 1.00 22.34 H new ATOM 0 HD13 LEU A 74 10.106 -17.124 -22.263 1.00 22.34 H new ATOM 0 HD21 LEU A 74 12.125 -17.156 -19.936 1.00 10.00 H new ATOM 0 HD22 LEU A 74 10.573 -16.286 -19.886 1.00 10.00 H new ATOM 0 HD23 LEU A 74 10.966 -17.478 -18.624 1.00 10.00 H new ATOM 1167 N THR A 75 6.149 -18.022 -21.678 1.00 10.02 N ATOM 1168 CA THR A 75 5.323 -18.243 -22.858 1.00 31.31 C ATOM 1169 C THR A 75 4.253 -17.166 -22.990 1.00 15.03 C ATOM 1170 O THR A 75 3.874 -16.785 -24.097 1.00 4.03 O ATOM 1171 CB THR A 75 4.642 -19.625 -22.816 1.00 45.44 C ATOM 1172 OG1 THR A 75 3.755 -19.767 -23.931 1.00 62.42 O ATOM 1173 CG2 THR A 75 3.869 -19.808 -21.519 1.00 51.04 C ATOM 0 H THR A 75 5.753 -18.387 -20.812 1.00 10.02 H new ATOM 0 HA THR A 75 5.987 -18.199 -23.721 1.00 31.31 H new ATOM 0 HB THR A 75 5.417 -20.390 -22.869 1.00 45.44 H new ATOM 0 HG1 THR A 75 3.327 -20.648 -23.898 1.00 62.42 H new ATOM 0 HG21 THR A 75 3.397 -20.791 -21.512 1.00 51.04 H new ATOM 0 HG22 THR A 75 4.552 -19.728 -20.674 1.00 51.04 H new ATOM 0 HG23 THR A 75 3.103 -19.037 -21.440 1.00 51.04 H new ATOM 1181 N GLY A 76 3.768 -16.677 -21.852 1.00 74.41 N ATOM 1182 CA GLY A 76 2.745 -15.647 -21.863 1.00 63.51 C ATOM 1183 C GLY A 76 1.351 -16.213 -21.681 1.00 53.03 C ATOM 1184 O GLY A 76 0.382 -15.681 -22.225 1.00 64.13 O ATOM 0 H GLY A 76 4.065 -16.976 -20.923 1.00 74.41 H new ATOM 0 HA2 GLY A 76 2.949 -14.928 -21.069 1.00 63.51 H new ATOM 0 HA3 GLY A 76 2.792 -15.102 -22.806 1.00 63.51 H new ATOM 1188 N ILE A 77 1.248 -17.294 -20.916 1.00 74.43 N ATOM 1189 CA ILE A 77 -0.039 -17.932 -20.665 1.00 62.24 C ATOM 1190 C ILE A 77 -0.157 -18.379 -19.212 1.00 42.12 C ATOM 1191 O ILE A 77 0.834 -18.745 -18.582 1.00 22.01 O ATOM 1192 CB ILE A 77 -0.252 -19.150 -21.584 1.00 12.11 C ATOM 1193 CG1 ILE A 77 -0.027 -18.759 -23.046 1.00 51.10 C ATOM 1194 CG2 ILE A 77 -1.649 -19.720 -21.392 1.00 34.15 C ATOM 1195 CD1 ILE A 77 -1.061 -17.792 -23.579 1.00 32.10 C ATOM 0 H ILE A 77 2.040 -17.747 -20.459 1.00 74.43 H new ATOM 0 HA ILE A 77 -0.807 -17.188 -20.877 1.00 62.24 H new ATOM 0 HB ILE A 77 0.473 -19.919 -21.317 1.00 12.11 H new ATOM 0 HG12 ILE A 77 0.962 -18.312 -23.146 1.00 51.10 H new ATOM 0 HG13 ILE A 77 -0.033 -19.660 -23.660 1.00 51.10 H new ATOM 0 HG21 ILE A 77 -1.784 -20.580 -22.048 1.00 34.15 H new ATOM 0 HG22 ILE A 77 -1.776 -20.031 -20.355 1.00 34.15 H new ATOM 0 HG23 ILE A 77 -2.389 -18.958 -21.635 1.00 34.15 H new ATOM 0 HD11 ILE A 77 -0.839 -17.559 -24.620 1.00 32.10 H new ATOM 0 HD12 ILE A 77 -2.051 -18.244 -23.511 1.00 32.10 H new ATOM 0 HD13 ILE A 77 -1.040 -16.875 -22.990 1.00 32.10 H new ATOM 1207 N GLY A 78 -1.378 -18.348 -18.686 1.00 43.32 N ATOM 1208 CA GLY A 78 -1.604 -18.753 -17.311 1.00 64.43 C ATOM 1209 C GLY A 78 -1.046 -17.758 -16.314 1.00 1.42 C ATOM 1210 O GLY A 78 -0.340 -18.136 -15.378 1.00 54.40 O ATOM 0 H GLY A 78 -2.214 -18.050 -19.188 1.00 43.32 H new ATOM 0 HA2 GLY A 78 -2.674 -18.871 -17.142 1.00 64.43 H new ATOM 0 HA3 GLY A 78 -1.145 -19.727 -17.143 1.00 64.43 H new ATOM 1214 N ILE A 79 -1.361 -16.482 -16.514 1.00 62.41 N ATOM 1215 CA ILE A 79 -0.886 -15.430 -15.625 1.00 5.13 C ATOM 1216 C ILE A 79 -1.814 -15.261 -14.427 1.00 72.21 C ATOM 1217 O ILE A 79 -1.368 -14.957 -13.322 1.00 24.04 O ATOM 1218 CB ILE A 79 -0.766 -14.082 -16.361 1.00 24.51 C ATOM 1219 CG1 ILE A 79 0.194 -14.208 -17.546 1.00 51.32 C ATOM 1220 CG2 ILE A 79 -0.296 -12.996 -15.405 1.00 22.55 C ATOM 1221 CD1 ILE A 79 0.283 -12.953 -18.387 1.00 32.23 C ATOM 0 H ILE A 79 -1.943 -16.153 -17.284 1.00 62.41 H new ATOM 0 HA ILE A 79 0.101 -15.734 -15.277 1.00 5.13 H new ATOM 0 HB ILE A 79 -1.749 -13.803 -16.741 1.00 24.51 H new ATOM 0 HG12 ILE A 79 1.188 -14.457 -17.174 1.00 51.32 H new ATOM 0 HG13 ILE A 79 -0.127 -15.037 -18.177 1.00 51.32 H new ATOM 0 HG21 ILE A 79 -0.216 -12.050 -15.940 1.00 22.55 H new ATOM 0 HG22 ILE A 79 -1.013 -12.893 -14.591 1.00 22.55 H new ATOM 0 HG23 ILE A 79 0.679 -13.266 -14.998 1.00 22.55 H new ATOM 0 HD11 ILE A 79 0.981 -13.114 -19.208 1.00 32.23 H new ATOM 0 HD12 ILE A 79 -0.702 -12.714 -18.789 1.00 32.23 H new ATOM 0 HD13 ILE A 79 0.634 -12.126 -17.770 1.00 32.23 H new ATOM 1233 N GLU A 80 -3.108 -15.463 -14.655 1.00 52.24 N ATOM 1234 CA GLU A 80 -4.100 -15.334 -13.594 1.00 3.20 C ATOM 1235 C GLU A 80 -3.959 -16.463 -12.577 1.00 64.25 C ATOM 1236 O GLU A 80 -4.021 -16.236 -11.370 1.00 4.32 O ATOM 1237 CB GLU A 80 -5.512 -15.336 -14.182 1.00 52.31 C ATOM 1238 CG GLU A 80 -5.817 -16.559 -15.030 1.00 62.21 C ATOM 1239 CD GLU A 80 -6.691 -16.237 -16.227 1.00 5.32 C ATOM 1240 OE1 GLU A 80 -7.913 -16.061 -16.038 1.00 44.10 O ATOM 1241 OE2 GLU A 80 -6.153 -16.161 -17.351 1.00 51.52 O ATOM 0 H GLU A 80 -3.494 -15.717 -15.565 1.00 52.24 H new ATOM 0 HA GLU A 80 -3.928 -14.386 -13.085 1.00 3.20 H new ATOM 0 HB2 GLU A 80 -6.235 -15.279 -13.368 1.00 52.31 H new ATOM 0 HB3 GLU A 80 -5.645 -14.441 -14.790 1.00 52.31 H new ATOM 0 HG2 GLU A 80 -4.882 -16.999 -15.376 1.00 62.21 H new ATOM 0 HG3 GLU A 80 -6.313 -17.309 -14.414 1.00 62.21 H new ATOM 1248 N GLU A 81 -3.769 -17.681 -13.077 1.00 12.42 N ATOM 1249 CA GLU A 81 -3.621 -18.846 -12.212 1.00 40.52 C ATOM 1250 C GLU A 81 -2.505 -18.629 -11.194 1.00 61.03 C ATOM 1251 O GLU A 81 -2.672 -18.900 -10.005 1.00 21.43 O ATOM 1252 CB GLU A 81 -3.330 -20.094 -13.047 1.00 65.22 C ATOM 1253 CG GLU A 81 -2.162 -19.927 -14.005 1.00 53.25 C ATOM 1254 CD GLU A 81 -2.020 -21.096 -14.961 1.00 4.23 C ATOM 1255 OE1 GLU A 81 -1.027 -21.844 -14.840 1.00 40.40 O ATOM 1256 OE2 GLU A 81 -2.902 -21.262 -15.829 1.00 65.42 O ATOM 0 H GLU A 81 -3.714 -17.886 -14.075 1.00 12.42 H new ATOM 0 HA GLU A 81 -4.558 -18.989 -11.673 1.00 40.52 H new ATOM 0 HB2 GLU A 81 -3.123 -20.929 -12.377 1.00 65.22 H new ATOM 0 HB3 GLU A 81 -4.222 -20.356 -13.617 1.00 65.22 H new ATOM 0 HG2 GLU A 81 -2.295 -19.009 -14.577 1.00 53.25 H new ATOM 0 HG3 GLU A 81 -1.241 -19.816 -13.433 1.00 53.25 H new ATOM 1263 N THR A 82 -1.365 -18.138 -11.670 1.00 64.53 N ATOM 1264 CA THR A 82 -0.220 -17.887 -10.804 1.00 10.11 C ATOM 1265 C THR A 82 -0.393 -16.586 -10.028 1.00 70.03 C ATOM 1266 O THR A 82 -0.003 -16.488 -8.865 1.00 21.03 O ATOM 1267 CB THR A 82 1.091 -17.820 -11.610 1.00 71.30 C ATOM 1268 OG1 THR A 82 1.126 -18.876 -12.577 1.00 31.25 O ATOM 1269 CG2 THR A 82 2.298 -17.928 -10.690 1.00 52.43 C ATOM 0 H THR A 82 -1.210 -17.906 -12.651 1.00 64.53 H new ATOM 0 HA THR A 82 -0.165 -18.721 -10.104 1.00 10.11 H new ATOM 0 HB THR A 82 1.129 -16.858 -12.121 1.00 71.30 H new ATOM 0 HG1 THR A 82 0.653 -18.593 -13.387 1.00 31.25 H new ATOM 0 HG21 THR A 82 3.212 -17.878 -11.282 1.00 52.43 H new ATOM 0 HG22 THR A 82 2.284 -17.106 -9.974 1.00 52.43 H new ATOM 0 HG23 THR A 82 2.264 -18.877 -10.155 1.00 52.43 H new ATOM 1277 N LYS A 83 -0.981 -15.588 -10.679 1.00 61.15 N ATOM 1278 CA LYS A 83 -1.208 -14.292 -10.051 1.00 31.42 C ATOM 1279 C LYS A 83 -1.920 -14.455 -8.711 1.00 44.33 C ATOM 1280 O LYS A 83 -1.684 -13.689 -7.777 1.00 54.23 O ATOM 1281 CB LYS A 83 -2.034 -13.393 -10.973 1.00 41.31 C ATOM 1282 CG LYS A 83 -1.192 -12.457 -11.823 1.00 51.12 C ATOM 1283 CD LYS A 83 -0.481 -11.418 -10.972 1.00 72.11 C ATOM 1284 CE LYS A 83 -1.320 -10.159 -10.813 1.00 64.05 C ATOM 1285 NZ LYS A 83 -0.509 -9.012 -10.320 1.00 11.54 N ATOM 0 H LYS A 83 -1.309 -15.652 -11.643 1.00 61.15 H new ATOM 0 HA LYS A 83 -0.238 -13.827 -9.874 1.00 31.42 H new ATOM 0 HB2 LYS A 83 -2.641 -14.018 -11.628 1.00 41.31 H new ATOM 0 HB3 LYS A 83 -2.722 -12.802 -10.369 1.00 41.31 H new ATOM 0 HG2 LYS A 83 -0.457 -13.035 -12.383 1.00 51.12 H new ATOM 0 HG3 LYS A 83 -1.828 -11.957 -12.554 1.00 51.12 H new ATOM 0 HD2 LYS A 83 -0.263 -11.838 -9.990 1.00 72.11 H new ATOM 0 HD3 LYS A 83 0.475 -11.164 -11.429 1.00 72.11 H new ATOM 0 HE2 LYS A 83 -1.771 -9.900 -11.771 1.00 64.05 H new ATOM 0 HE3 LYS A 83 -2.137 -10.352 -10.118 1.00 64.05 H new ATOM 0 HZ1 LYS A 83 -0.796 -8.776 -9.349 1.00 11.54 H new ATOM 0 HZ2 LYS A 83 0.499 -9.269 -10.330 1.00 11.54 H new ATOM 0 HZ3 LYS A 83 -0.662 -8.188 -10.936 1.00 11.54 H new ATOM 1299 N GLN A 84 -2.788 -15.457 -8.625 1.00 73.04 N ATOM 1300 CA GLN A 84 -3.533 -15.719 -7.399 1.00 64.23 C ATOM 1301 C GLN A 84 -2.588 -16.067 -6.253 1.00 75.22 C ATOM 1302 O GLN A 84 -2.841 -15.717 -5.101 1.00 53.51 O ATOM 1303 CB GLN A 84 -4.531 -16.858 -7.617 1.00 43.32 C ATOM 1304 CG GLN A 84 -5.719 -16.468 -8.481 1.00 51.13 C ATOM 1305 CD GLN A 84 -6.907 -17.390 -8.290 1.00 12.21 C ATOM 1306 OE1 GLN A 84 -7.986 -16.955 -7.885 1.00 21.40 O ATOM 1307 NE2 GLN A 84 -6.716 -18.671 -8.581 1.00 65.21 N ATOM 0 H GLN A 84 -2.993 -16.101 -9.389 1.00 73.04 H new ATOM 0 HA GLN A 84 -4.079 -14.813 -7.134 1.00 64.23 H new ATOM 0 HB2 GLN A 84 -4.015 -17.698 -8.081 1.00 43.32 H new ATOM 0 HB3 GLN A 84 -4.894 -17.202 -6.649 1.00 43.32 H new ATOM 0 HG2 GLN A 84 -6.015 -15.446 -8.245 1.00 51.13 H new ATOM 0 HG3 GLN A 84 -5.420 -16.479 -9.529 1.00 51.13 H new ATOM 0 HE21 GLN A 84 -5.805 -18.988 -8.914 1.00 65.21 H new ATOM 0 HE22 GLN A 84 -7.480 -19.338 -8.472 1.00 65.21 H new ATOM 1316 N GLN A 85 -1.501 -16.759 -6.578 1.00 50.12 N ATOM 1317 CA GLN A 85 -0.520 -17.155 -5.575 1.00 11.13 C ATOM 1318 C GLN A 85 0.265 -15.947 -5.074 1.00 52.21 C ATOM 1319 O GLN A 85 0.376 -15.723 -3.868 1.00 60.24 O ATOM 1320 CB GLN A 85 0.439 -18.197 -6.152 1.00 31.50 C ATOM 1321 CG GLN A 85 -0.264 -19.344 -6.861 1.00 41.34 C ATOM 1322 CD GLN A 85 -1.229 -20.086 -5.957 1.00 44.45 C ATOM 1323 OE1 GLN A 85 -0.816 -20.849 -5.084 1.00 34.31 O ATOM 1324 NE2 GLN A 85 -2.522 -19.864 -6.163 1.00 23.43 N ATOM 0 H GLN A 85 -1.278 -17.057 -7.528 1.00 50.12 H new ATOM 0 HA GLN A 85 -1.056 -17.592 -4.733 1.00 11.13 H new ATOM 0 HB2 GLN A 85 1.115 -17.708 -6.853 1.00 31.50 H new ATOM 0 HB3 GLN A 85 1.052 -18.600 -5.346 1.00 31.50 H new ATOM 0 HG2 GLN A 85 -0.806 -18.955 -7.723 1.00 41.34 H new ATOM 0 HG3 GLN A 85 0.481 -20.042 -7.241 1.00 41.34 H new ATOM 0 HE21 GLN A 85 -2.818 -19.223 -6.899 1.00 23.43 H new ATOM 0 HE22 GLN A 85 -3.219 -20.335 -5.585 1.00 23.43 H new ATOM 1333 N ILE A 86 0.807 -15.172 -6.007 1.00 42.13 N ATOM 1334 CA ILE A 86 1.581 -13.986 -5.660 1.00 71.51 C ATOM 1335 C ILE A 86 0.708 -12.942 -4.972 1.00 22.52 C ATOM 1336 O ILE A 86 1.076 -12.400 -3.929 1.00 34.24 O ATOM 1337 CB ILE A 86 2.232 -13.355 -6.905 1.00 2.13 C ATOM 1338 CG1 ILE A 86 3.087 -14.389 -7.640 1.00 62.01 C ATOM 1339 CG2 ILE A 86 3.072 -12.150 -6.509 1.00 5.11 C ATOM 1340 CD1 ILE A 86 2.437 -14.928 -8.895 1.00 44.44 C ATOM 0 H ILE A 86 0.725 -15.344 -7.009 1.00 42.13 H new ATOM 0 HA ILE A 86 2.365 -14.309 -4.975 1.00 71.51 H new ATOM 0 HB ILE A 86 1.444 -13.019 -7.579 1.00 2.13 H new ATOM 0 HG12 ILE A 86 4.044 -13.938 -7.901 1.00 62.01 H new ATOM 0 HG13 ILE A 86 3.299 -15.218 -6.966 1.00 62.01 H new ATOM 0 HG21 ILE A 86 3.526 -11.714 -7.399 1.00 5.11 H new ATOM 0 HG22 ILE A 86 2.438 -11.408 -6.025 1.00 5.11 H new ATOM 0 HG23 ILE A 86 3.855 -12.463 -5.819 1.00 5.11 H new ATOM 0 HD11 ILE A 86 3.099 -15.656 -9.364 1.00 44.44 H new ATOM 0 HD12 ILE A 86 1.493 -15.409 -8.638 1.00 44.44 H new ATOM 0 HD13 ILE A 86 2.249 -14.108 -9.588 1.00 44.44 H new ATOM 1352 N LEU A 87 -0.450 -12.666 -5.561 1.00 21.20 N ATOM 1353 CA LEU A 87 -1.378 -11.688 -5.004 1.00 23.03 C ATOM 1354 C LEU A 87 -1.657 -11.979 -3.533 1.00 4.45 C ATOM 1355 O LEU A 87 -1.850 -11.062 -2.733 1.00 31.43 O ATOM 1356 CB LEU A 87 -2.688 -11.691 -5.793 1.00 42.02 C ATOM 1357 CG LEU A 87 -3.806 -10.806 -5.241 1.00 71.22 C ATOM 1358 CD1 LEU A 87 -3.574 -9.352 -5.622 1.00 23.30 C ATOM 1359 CD2 LEU A 87 -5.161 -11.282 -5.746 1.00 43.31 C ATOM 0 H LEU A 87 -0.769 -13.106 -6.424 1.00 21.20 H new ATOM 0 HA LEU A 87 -0.918 -10.703 -5.080 1.00 23.03 H new ATOM 0 HB2 LEU A 87 -2.474 -11.377 -6.815 1.00 42.02 H new ATOM 0 HB3 LEU A 87 -3.055 -12.716 -5.845 1.00 42.02 H new ATOM 0 HG LEU A 87 -3.799 -10.880 -4.154 1.00 71.22 H new ATOM 0 HD11 LEU A 87 -4.380 -8.738 -5.220 1.00 23.30 H new ATOM 0 HD12 LEU A 87 -2.622 -9.016 -5.211 1.00 23.30 H new ATOM 0 HD13 LEU A 87 -3.554 -9.259 -6.708 1.00 23.30 H new ATOM 0 HD21 LEU A 87 -5.945 -10.641 -5.343 1.00 43.31 H new ATOM 0 HD22 LEU A 87 -5.180 -11.238 -6.835 1.00 43.31 H new ATOM 0 HD23 LEU A 87 -5.330 -12.309 -5.422 1.00 43.31 H new ATOM 1371 N THR A 88 -1.674 -13.261 -3.181 1.00 10.44 N ATOM 1372 CA THR A 88 -1.928 -13.672 -1.806 1.00 21.51 C ATOM 1373 C THR A 88 -1.006 -12.944 -0.835 1.00 12.14 C ATOM 1374 O THR A 88 -1.372 -12.697 0.314 1.00 4.31 O ATOM 1375 CB THR A 88 -1.742 -15.192 -1.631 1.00 43.51 C ATOM 1376 OG1 THR A 88 -2.615 -15.898 -2.520 1.00 5.41 O ATOM 1377 CG2 THR A 88 -2.025 -15.610 -0.196 1.00 45.31 C ATOM 0 H THR A 88 -1.515 -14.032 -3.829 1.00 10.44 H new ATOM 0 HA THR A 88 -2.963 -13.411 -1.584 1.00 21.51 H new ATOM 0 HB THR A 88 -0.707 -15.439 -1.867 1.00 43.51 H new ATOM 0 HG1 THR A 88 -2.285 -15.813 -3.439 1.00 5.41 H new ATOM 0 HG21 THR A 88 -1.887 -16.687 -0.097 1.00 45.31 H new ATOM 0 HG22 THR A 88 -1.339 -15.093 0.475 1.00 45.31 H new ATOM 0 HG23 THR A 88 -3.051 -15.350 0.063 1.00 45.31 H new ATOM 1385 N GLU A 89 0.190 -12.602 -1.304 1.00 33.31 N ATOM 1386 CA GLU A 89 1.163 -11.902 -0.475 1.00 3.42 C ATOM 1387 C GLU A 89 1.396 -10.484 -0.989 1.00 14.20 C ATOM 1388 O GLU A 89 2.478 -9.920 -0.822 1.00 62.23 O ATOM 1389 CB GLU A 89 2.487 -12.668 -0.445 1.00 61.42 C ATOM 1390 CG GLU A 89 2.939 -13.155 -1.812 1.00 22.23 C ATOM 1391 CD GLU A 89 4.195 -14.002 -1.743 1.00 61.12 C ATOM 1392 OE1 GLU A 89 4.772 -14.118 -0.642 1.00 21.34 O ATOM 1393 OE2 GLU A 89 4.601 -14.548 -2.790 1.00 60.21 O ATOM 0 H GLU A 89 0.508 -12.798 -2.253 1.00 33.31 H new ATOM 0 HA GLU A 89 0.763 -11.843 0.537 1.00 3.42 H new ATOM 0 HB2 GLU A 89 3.260 -12.025 -0.024 1.00 61.42 H new ATOM 0 HB3 GLU A 89 2.387 -13.524 0.222 1.00 61.42 H new ATOM 0 HG2 GLU A 89 2.138 -13.736 -2.270 1.00 22.23 H new ATOM 0 HG3 GLU A 89 3.119 -12.296 -2.458 1.00 22.23 H new ATOM 1400 N LEU A 90 0.372 -9.913 -1.615 1.00 65.02 N ATOM 1401 CA LEU A 90 0.464 -8.561 -2.155 1.00 52.20 C ATOM 1402 C LEU A 90 -0.670 -7.686 -1.628 1.00 64.52 C ATOM 1403 O LEU A 90 -0.485 -6.494 -1.386 1.00 65.14 O ATOM 1404 CB LEU A 90 0.427 -8.597 -3.684 1.00 33.32 C ATOM 1405 CG LEU A 90 1.621 -9.264 -4.368 1.00 54.35 C ATOM 1406 CD1 LEU A 90 1.327 -9.502 -5.841 1.00 54.04 C ATOM 1407 CD2 LEU A 90 2.872 -8.415 -4.203 1.00 45.42 C ATOM 0 H LEU A 90 -0.531 -10.365 -1.761 1.00 65.02 H new ATOM 0 HA LEU A 90 1.412 -8.131 -1.831 1.00 52.20 H new ATOM 0 HB2 LEU A 90 -0.480 -9.116 -3.994 1.00 33.32 H new ATOM 0 HB3 LEU A 90 0.349 -7.573 -4.050 1.00 33.32 H new ATOM 0 HG LEU A 90 1.796 -10.229 -3.893 1.00 54.35 H new ATOM 0 HD11 LEU A 90 2.188 -9.977 -6.312 1.00 54.04 H new ATOM 0 HD12 LEU A 90 0.456 -10.150 -5.938 1.00 54.04 H new ATOM 0 HD13 LEU A 90 1.126 -8.549 -6.331 1.00 54.04 H new ATOM 0 HD21 LEU A 90 3.712 -8.905 -4.696 1.00 45.42 H new ATOM 0 HD22 LEU A 90 2.709 -7.435 -4.652 1.00 45.42 H new ATOM 0 HD23 LEU A 90 3.093 -8.295 -3.142 1.00 45.42 H new ATOM 1419 N GLN A 91 -1.841 -8.288 -1.451 1.00 72.52 N ATOM 1420 CA GLN A 91 -3.004 -7.564 -0.951 1.00 62.23 C ATOM 1421 C GLN A 91 -3.439 -8.105 0.407 1.00 53.33 C ATOM 1422 O GLN A 91 -4.062 -7.396 1.199 1.00 64.35 O ATOM 1423 CB GLN A 91 -4.160 -7.664 -1.948 1.00 11.43 C ATOM 1424 CG GLN A 91 -4.554 -9.093 -2.282 1.00 62.32 C ATOM 1425 CD GLN A 91 -5.377 -9.743 -1.188 1.00 32.12 C ATOM 1426 OE1 GLN A 91 -5.973 -9.060 -0.354 1.00 41.14 O ATOM 1427 NE2 GLN A 91 -5.415 -11.070 -1.184 1.00 74.53 N ATOM 0 H GLN A 91 -2.010 -9.275 -1.646 1.00 72.52 H new ATOM 0 HA GLN A 91 -2.726 -6.517 -0.832 1.00 62.23 H new ATOM 0 HB2 GLN A 91 -5.026 -7.143 -1.540 1.00 11.43 H new ATOM 0 HB3 GLN A 91 -3.882 -7.149 -2.867 1.00 11.43 H new ATOM 0 HG2 GLN A 91 -5.122 -9.101 -3.212 1.00 62.32 H new ATOM 0 HG3 GLN A 91 -3.654 -9.683 -2.453 1.00 62.32 H new ATOM 0 HE21 GLN A 91 -4.906 -11.597 -1.894 1.00 74.53 H new ATOM 0 HE22 GLN A 91 -5.953 -11.563 -0.471 1.00 74.53 H new ATOM 1436 N LYS A 92 -3.109 -9.364 0.670 1.00 23.33 N ATOM 1437 CA LYS A 92 -3.464 -10.001 1.933 1.00 73.12 C ATOM 1438 C LYS A 92 -2.415 -9.713 3.002 1.00 61.42 C ATOM 1439 O LYS A 92 -1.278 -10.176 2.910 1.00 63.34 O ATOM 1440 CB LYS A 92 -3.612 -11.512 1.742 1.00 71.22 C ATOM 1441 CG LYS A 92 -4.764 -12.115 2.528 1.00 43.03 C ATOM 1442 CD LYS A 92 -4.371 -12.390 3.969 1.00 20.55 C ATOM 1443 CE LYS A 92 -3.485 -13.622 4.080 1.00 34.13 C ATOM 1444 NZ LYS A 92 -2.817 -13.707 5.408 1.00 34.25 N ATOM 0 H LYS A 92 -2.596 -9.965 0.025 1.00 23.33 H new ATOM 0 HA LYS A 92 -4.417 -9.588 2.264 1.00 73.12 H new ATOM 0 HB2 LYS A 92 -3.756 -11.723 0.682 1.00 71.22 H new ATOM 0 HB3 LYS A 92 -2.684 -12.000 2.041 1.00 71.22 H new ATOM 0 HG2 LYS A 92 -5.616 -11.436 2.505 1.00 43.03 H new ATOM 0 HG3 LYS A 92 -5.083 -13.043 2.053 1.00 43.03 H new ATOM 0 HD2 LYS A 92 -3.846 -11.525 4.375 1.00 20.55 H new ATOM 0 HD3 LYS A 92 -5.268 -12.530 4.572 1.00 20.55 H new ATOM 0 HE2 LYS A 92 -4.086 -14.517 3.918 1.00 34.13 H new ATOM 0 HE3 LYS A 92 -2.730 -13.598 3.294 1.00 34.13 H new ATOM 0 HZ1 LYS A 92 -2.223 -14.560 5.444 1.00 34.25 H new ATOM 0 HZ2 LYS A 92 -2.224 -12.865 5.553 1.00 34.25 H new ATOM 0 HZ3 LYS A 92 -3.537 -13.756 6.156 1.00 34.25 H new TER 1458 LYS A 92