USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 658 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 45 MET CE :methyl 135:sc= -5.64! (180deg=-4.81!) USER MOD Set 1.2: A 80 MET CE :methyl -137:sc= -4.21 (180deg=-1.92) USER MOD Set 2.1: A 69 SER OG : rot -83:sc= 0.194! USER MOD Set 2.2: A 71 THR OG1 : rot -88:sc= -0.212! USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -2.36! USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= -0.0956 F(o=-3.3,f=-2.5) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.04! F(o=-1.6,f=-1!) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -1.87 (180deg=-2.68!) USER MOD Single : A 18 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 29:sc= -2.53! USER MOD Single : A 37 SER OG : rot 93:sc= 0.0871 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 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 MET CE :methyl -132:sc= -2.64 (180deg=-7.87!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0738 F(o=-0.66,f=-0.074) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 151:sc= 1.27 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.545 F(o=-1.3,f=-0.54) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -137:sc= -4.85! (180deg=-9.62!) USER MOD Single : A 84 SER OG : rot 106:sc= 1.03 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 64.855 20.324 0.100 1.00 4.98 N ATOM 2 CA ALA A 2 66.297 19.983 0.271 1.00 4.92 C ATOM 3 C ALA A 2 66.477 18.465 0.338 1.00 4.09 C ATOM 4 O ALA A 2 65.539 17.728 0.570 1.00 4.52 O ATOM 5 CB ALA A 2 66.702 20.631 1.596 1.00 5.75 C ATOM 0 HA ALA A 2 66.907 20.338 -0.560 1.00 4.92 H new ATOM 0 HB1 ALA A 2 67.754 20.426 1.795 1.00 5.75 H new ATOM 0 HB2 ALA A 2 66.548 21.708 1.536 1.00 5.75 H new ATOM 0 HB3 ALA A 2 66.093 20.222 2.402 1.00 5.75 H new ATOM 13 N ASP A 3 67.675 17.990 0.134 1.00 3.31 N ATOM 14 CA ASP A 3 67.915 16.519 0.185 1.00 2.98 C ATOM 15 C ASP A 3 69.372 16.234 0.562 1.00 2.31 C ATOM 16 O ASP A 3 70.286 16.854 0.056 1.00 2.93 O ATOM 17 CB ASP A 3 67.618 16.021 -1.230 1.00 3.17 C ATOM 18 CG ASP A 3 66.179 15.508 -1.299 1.00 3.95 C ATOM 19 OD1 ASP A 3 65.781 14.794 -0.394 1.00 4.60 O ATOM 20 OD2 ASP A 3 65.499 15.839 -2.256 1.00 4.32 O ATOM 0 H ASP A 3 68.499 18.557 -0.066 1.00 3.31 H new ATOM 0 HA ASP A 3 67.293 16.023 0.930 1.00 2.98 H new ATOM 0 HB2 ASP A 3 67.763 16.828 -1.949 1.00 3.17 H new ATOM 0 HB3 ASP A 3 68.312 15.225 -1.500 1.00 3.17 H new ATOM 25 N ILE A 4 69.595 15.300 1.445 1.00 1.43 N ATOM 26 CA ILE A 4 70.994 14.979 1.851 1.00 1.28 C ATOM 27 C ILE A 4 71.530 13.811 1.019 1.00 1.13 C ATOM 28 O ILE A 4 72.475 13.953 0.267 1.00 1.61 O ATOM 29 CB ILE A 4 70.900 14.587 3.326 1.00 1.66 C ATOM 30 CG1 ILE A 4 70.135 15.668 4.092 1.00 2.36 C ATOM 31 CG2 ILE A 4 72.309 14.451 3.907 1.00 1.86 C ATOM 32 CD1 ILE A 4 68.782 15.115 4.543 1.00 2.80 C ATOM 0 H ILE A 4 68.871 14.746 1.903 1.00 1.43 H new ATOM 0 HA ILE A 4 71.672 15.818 1.695 1.00 1.28 H new ATOM 0 HB ILE A 4 70.375 13.636 3.418 1.00 1.66 H new ATOM 0 HG12 ILE A 4 70.713 15.993 4.957 1.00 2.36 H new ATOM 0 HG13 ILE A 4 69.989 16.543 3.459 1.00 2.36 H new ATOM 0 HG21 ILE A 4 72.244 14.172 4.959 1.00 1.86 H new ATOM 0 HG22 ILE A 4 72.855 13.682 3.361 1.00 1.86 H new ATOM 0 HG23 ILE A 4 72.833 15.402 3.816 1.00 1.86 H new ATOM 0 HD11 ILE A 4 68.238 15.886 5.089 1.00 2.80 H new ATOM 0 HD12 ILE A 4 68.204 14.811 3.670 1.00 2.80 H new ATOM 0 HD13 ILE A 4 68.939 14.253 5.192 1.00 2.80 H new ATOM 44 N TYR A 5 70.935 12.656 1.147 1.00 0.88 N ATOM 45 CA TYR A 5 71.414 11.481 0.362 1.00 0.86 C ATOM 46 C TYR A 5 70.921 11.579 -1.084 1.00 0.78 C ATOM 47 O TYR A 5 71.621 11.231 -2.014 1.00 0.79 O ATOM 48 CB TYR A 5 70.806 10.257 1.054 1.00 1.02 C ATOM 49 CG TYR A 5 70.930 10.408 2.551 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.192 10.381 3.156 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.782 10.576 3.335 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.306 10.523 4.544 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.896 10.718 4.723 1.00 2.20 C ATOM 54 CZ TYR A 5 71.158 10.691 5.327 1.00 1.77 C ATOM 55 OH TYR A 5 71.270 10.832 6.695 1.00 2.07 O ATOM 0 H TYR A 5 70.140 12.475 1.760 1.00 0.88 H new ATOM 0 HA TYR A 5 72.502 11.426 0.327 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.758 10.152 0.775 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.316 9.351 0.726 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.078 10.251 2.552 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.808 10.596 2.869 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.280 10.503 5.011 1.00 1.80 H new ATOM 0 HE2 TYR A 5 69.010 10.848 5.327 1.00 2.20 H new ATOM 0 HH TYR A 5 70.378 10.940 7.087 1.00 2.07 H new ATOM 65 N LYS A 6 69.720 12.052 -1.280 1.00 0.89 N ATOM 66 CA LYS A 6 69.188 12.175 -2.666 1.00 1.01 C ATOM 67 C LYS A 6 70.257 12.769 -3.586 1.00 0.98 C ATOM 68 O LYS A 6 70.415 12.358 -4.719 1.00 1.00 O ATOM 69 CB LYS A 6 67.993 13.121 -2.550 1.00 1.28 C ATOM 70 CG LYS A 6 66.761 12.465 -3.176 1.00 1.60 C ATOM 71 CD LYS A 6 67.107 11.967 -4.581 1.00 2.04 C ATOM 72 CE LYS A 6 65.955 12.286 -5.535 1.00 2.60 C ATOM 73 NZ LYS A 6 66.556 12.230 -6.897 1.00 3.24 N ATOM 0 H LYS A 6 69.086 12.358 -0.542 1.00 0.89 H new ATOM 0 HA LYS A 6 68.903 11.211 -3.088 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.801 13.355 -1.503 1.00 1.28 H new ATOM 0 HB3 LYS A 6 68.211 14.063 -3.052 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.424 11.634 -2.557 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.940 13.180 -3.224 1.00 1.60 H new ATOM 0 HD2 LYS A 6 68.024 12.441 -4.930 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.291 10.893 -4.562 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.145 11.564 -5.431 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.533 13.270 -5.330 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.826 12.438 -7.608 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 67.319 12.933 -6.969 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.943 11.280 -7.067 1.00 3.24 H new ATOM 87 N ALA A 7 70.995 13.733 -3.107 1.00 1.07 N ATOM 88 CA ALA A 7 72.057 14.350 -3.952 1.00 1.20 C ATOM 89 C ALA A 7 72.953 13.260 -4.546 1.00 1.08 C ATOM 90 O ALA A 7 73.436 13.376 -5.655 1.00 1.19 O ATOM 91 CB ALA A 7 72.854 15.240 -2.999 1.00 1.36 C ATOM 0 H ALA A 7 70.909 14.120 -2.167 1.00 1.07 H new ATOM 0 HA ALA A 7 71.646 14.916 -4.788 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.658 15.732 -3.547 1.00 1.36 H new ATOM 0 HB2 ALA A 7 72.195 15.994 -2.568 1.00 1.36 H new ATOM 0 HB3 ALA A 7 73.279 14.630 -2.201 1.00 1.36 H new ATOM 97 N ALA A 8 73.173 12.200 -3.817 1.00 0.95 N ATOM 98 CA ALA A 8 74.035 11.102 -4.340 1.00 0.96 C ATOM 99 C ALA A 8 73.235 10.222 -5.305 1.00 0.90 C ATOM 100 O ALA A 8 73.682 9.910 -6.390 1.00 1.01 O ATOM 101 CB ALA A 8 74.452 10.302 -3.105 1.00 0.98 C ATOM 0 H ALA A 8 72.794 12.047 -2.883 1.00 0.95 H new ATOM 0 HA ALA A 8 74.897 11.478 -4.890 1.00 0.96 H new ATOM 0 HB1 ALA A 8 75.091 9.472 -3.408 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.998 10.950 -2.419 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.564 9.913 -2.607 1.00 0.98 H new ATOM 107 N VAL A 9 72.054 9.823 -4.918 1.00 0.83 N ATOM 108 CA VAL A 9 71.227 8.966 -5.815 1.00 0.82 C ATOM 109 C VAL A 9 70.875 9.734 -7.092 1.00 0.97 C ATOM 110 O VAL A 9 70.478 9.157 -8.085 1.00 1.02 O ATOM 111 CB VAL A 9 69.965 8.649 -5.012 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.918 8.020 -5.933 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.311 7.667 -3.891 1.00 0.70 C ATOM 0 H VAL A 9 71.626 10.053 -4.021 1.00 0.83 H new ATOM 0 HA VAL A 9 71.749 8.059 -6.120 1.00 0.82 H new ATOM 0 HB VAL A 9 69.566 9.568 -4.583 1.00 0.84 H new ATOM 0 HG11 VAL A 9 68.018 7.794 -5.360 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.673 8.717 -6.734 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.316 7.100 -6.361 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.413 7.439 -3.317 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.709 6.748 -4.322 1.00 0.70 H new ATOM 0 HG23 VAL A 9 71.058 8.113 -3.234 1.00 0.70 H new ATOM 123 N GLU A 10 71.025 11.030 -7.075 1.00 1.12 N ATOM 124 CA GLU A 10 70.707 11.834 -8.286 1.00 1.32 C ATOM 125 C GLU A 10 71.891 11.779 -9.260 1.00 1.37 C ATOM 126 O GLU A 10 71.747 12.011 -10.444 1.00 1.56 O ATOM 127 CB GLU A 10 70.476 13.256 -7.753 1.00 1.51 C ATOM 128 CG GLU A 10 70.910 14.292 -8.791 1.00 1.80 C ATOM 129 CD GLU A 10 70.029 15.538 -8.677 1.00 2.02 C ATOM 130 OE1 GLU A 10 69.898 16.047 -7.576 1.00 2.28 O ATOM 131 OE2 GLU A 10 69.500 15.961 -9.691 1.00 2.61 O ATOM 0 H GLU A 10 71.355 11.567 -6.273 1.00 1.12 H new ATOM 0 HA GLU A 10 69.838 11.470 -8.834 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.422 13.394 -7.511 1.00 1.51 H new ATOM 0 HB3 GLU A 10 71.037 13.400 -6.829 1.00 1.51 H new ATOM 0 HG2 GLU A 10 71.956 14.559 -8.637 1.00 1.80 H new ATOM 0 HG3 GLU A 10 70.833 13.871 -9.793 1.00 1.80 H new ATOM 138 N GLN A 11 73.059 11.473 -8.765 1.00 1.29 N ATOM 139 CA GLN A 11 74.252 11.402 -9.656 1.00 1.45 C ATOM 140 C GLN A 11 74.511 9.953 -10.077 1.00 1.35 C ATOM 141 O GLN A 11 75.450 9.662 -10.791 1.00 1.53 O ATOM 142 CB GLN A 11 75.409 11.931 -8.807 1.00 1.61 C ATOM 143 CG GLN A 11 75.350 13.459 -8.762 1.00 2.13 C ATOM 144 CD GLN A 11 76.059 13.959 -7.502 1.00 2.44 C ATOM 145 OE1 GLN A 11 77.051 14.800 -7.617 1.00 2.96 O flip ATOM 146 NE2 GLN A 11 75.708 13.583 -6.402 1.00 2.71 N flip ATOM 0 H GLN A 11 73.239 11.269 -7.782 1.00 1.29 H new ATOM 0 HA GLN A 11 74.121 11.979 -10.572 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.349 11.524 -7.798 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.361 11.605 -9.226 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.824 13.878 -9.650 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.313 13.794 -8.766 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.933 12.926 -6.311 1.00 2.71 H new ATOM 0 HE22 GLN A 11 76.188 13.924 -5.569 1.00 2.71 H new ATOM 155 N LEU A 12 73.684 9.041 -9.640 1.00 1.18 N ATOM 156 CA LEU A 12 73.884 7.612 -10.016 1.00 1.21 C ATOM 157 C LEU A 12 73.747 7.442 -11.532 1.00 1.11 C ATOM 158 O LEU A 12 73.478 8.384 -12.251 1.00 1.25 O ATOM 159 CB LEU A 12 72.772 6.851 -9.293 1.00 1.32 C ATOM 160 CG LEU A 12 73.212 6.531 -7.862 1.00 1.38 C ATOM 161 CD1 LEU A 12 72.102 5.752 -7.153 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.485 5.681 -7.896 1.00 1.68 C ATOM 0 H LEU A 12 72.880 9.224 -9.040 1.00 1.18 H new ATOM 0 HA LEU A 12 74.874 7.248 -9.740 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.860 7.448 -9.278 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.542 5.929 -9.828 1.00 1.32 H new ATOM 0 HG LEU A 12 73.409 7.460 -7.326 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.412 5.523 -6.134 1.00 1.49 H new ATOM 0 HD12 LEU A 12 71.193 6.354 -7.129 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.908 4.824 -7.691 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.798 5.453 -6.877 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.288 4.752 -8.431 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.277 6.232 -8.404 1.00 1.68 H new ATOM 174 N THR A 13 73.926 6.247 -12.022 1.00 1.05 N ATOM 175 CA THR A 13 73.802 6.016 -13.489 1.00 1.13 C ATOM 176 C THR A 13 72.535 5.210 -13.787 1.00 0.94 C ATOM 177 O THR A 13 72.121 4.377 -13.006 1.00 0.87 O ATOM 178 CB THR A 13 75.051 5.221 -13.875 1.00 1.38 C ATOM 179 OG1 THR A 13 75.550 4.542 -12.731 1.00 1.89 O ATOM 180 CG2 THR A 13 76.119 6.174 -14.412 1.00 1.68 C ATOM 0 H THR A 13 74.153 5.420 -11.470 1.00 1.05 H new ATOM 0 HA THR A 13 73.727 6.947 -14.051 1.00 1.13 H new ATOM 0 HB THR A 13 74.796 4.494 -14.646 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.349 4.031 -12.977 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.008 5.606 -14.687 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.735 6.694 -15.290 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.377 6.902 -13.643 1.00 1.68 H new ATOM 188 N GLU A 14 71.916 5.452 -14.910 1.00 0.94 N ATOM 189 CA GLU A 14 70.674 4.700 -15.254 1.00 0.90 C ATOM 190 C GLU A 14 70.851 3.211 -14.942 1.00 0.82 C ATOM 191 O GLU A 14 69.895 2.500 -14.705 1.00 0.82 O ATOM 192 CB GLU A 14 70.484 4.915 -16.756 1.00 1.05 C ATOM 193 CG GLU A 14 69.218 5.741 -16.998 1.00 2.10 C ATOM 194 CD GLU A 14 69.602 7.108 -17.566 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.122 7.916 -16.813 1.00 3.31 O ATOM 196 OE2 GLU A 14 69.368 7.325 -18.744 1.00 2.91 O ATOM 0 H GLU A 14 72.215 6.137 -15.604 1.00 0.94 H new ATOM 0 HA GLU A 14 69.812 5.043 -14.681 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.351 5.428 -17.173 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.407 3.954 -17.265 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.558 5.220 -17.691 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.668 5.864 -16.065 1.00 2.10 H new ATOM 203 N GLU A 15 72.066 2.731 -14.942 1.00 0.92 N ATOM 204 CA GLU A 15 72.298 1.288 -14.646 1.00 1.01 C ATOM 205 C GLU A 15 72.118 1.015 -13.150 1.00 0.90 C ATOM 206 O GLU A 15 71.971 -0.116 -12.729 1.00 0.89 O ATOM 207 CB GLU A 15 73.744 1.023 -15.071 1.00 1.23 C ATOM 208 CG GLU A 15 73.802 -0.244 -15.927 1.00 1.92 C ATOM 209 CD GLU A 15 75.014 -0.180 -16.857 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.065 0.727 -17.672 1.00 2.80 O ATOM 211 OE2 GLU A 15 75.873 -1.038 -16.739 1.00 2.90 O ATOM 0 H GLU A 15 72.907 3.275 -15.134 1.00 0.92 H new ATOM 0 HA GLU A 15 71.594 0.642 -15.171 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.130 1.873 -15.634 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.377 0.909 -14.191 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.868 -1.124 -15.288 1.00 1.92 H new ATOM 0 HG3 GLU A 15 72.887 -0.342 -16.512 1.00 1.92 H new ATOM 218 N GLN A 16 72.130 2.039 -12.342 1.00 0.89 N ATOM 219 CA GLN A 16 71.960 1.834 -10.874 1.00 0.87 C ATOM 220 C GLN A 16 70.472 1.788 -10.516 1.00 0.68 C ATOM 221 O GLN A 16 70.034 0.952 -9.752 1.00 0.67 O ATOM 222 CB GLN A 16 72.634 3.042 -10.225 1.00 0.97 C ATOM 223 CG GLN A 16 74.042 3.210 -10.797 1.00 1.77 C ATOM 224 CD GLN A 16 74.819 1.902 -10.633 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.647 1.187 -9.556 1.00 2.42 O flip ATOM 226 NE2 GLN A 16 75.589 1.527 -11.495 1.00 2.61 N flip ATOM 0 H GLN A 16 72.250 3.009 -12.634 1.00 0.89 H new ATOM 0 HA GLN A 16 72.396 0.895 -10.534 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.046 3.941 -10.408 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.683 2.907 -9.144 1.00 0.97 H new ATOM 0 HG2 GLN A 16 73.988 3.483 -11.851 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.560 4.020 -10.284 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.723 2.086 -12.337 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.101 0.653 -11.376 1.00 2.61 H new ATOM 235 N LYS A 17 69.692 2.680 -11.063 1.00 0.63 N ATOM 236 CA LYS A 17 68.233 2.684 -10.753 1.00 0.62 C ATOM 237 C LYS A 17 67.569 1.435 -11.337 1.00 0.60 C ATOM 238 O LYS A 17 66.916 0.683 -10.642 1.00 0.66 O ATOM 239 CB LYS A 17 67.686 3.945 -11.424 1.00 0.74 C ATOM 240 CG LYS A 17 67.634 5.087 -10.407 1.00 1.21 C ATOM 241 CD LYS A 17 69.056 5.535 -10.066 1.00 1.31 C ATOM 242 CE LYS A 17 69.148 5.847 -8.571 1.00 1.43 C ATOM 243 NZ LYS A 17 69.498 4.550 -7.929 1.00 2.06 N ATOM 0 H LYS A 17 70.001 3.405 -11.710 1.00 0.63 H new ATOM 0 HA LYS A 17 68.038 2.678 -9.681 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.318 4.224 -12.267 1.00 0.74 H new ATOM 0 HB3 LYS A 17 66.690 3.754 -11.822 1.00 0.74 H new ATOM 0 HG2 LYS A 17 67.066 5.924 -10.813 1.00 1.21 H new ATOM 0 HG3 LYS A 17 67.118 4.760 -9.504 1.00 1.21 H new ATOM 0 HD2 LYS A 17 69.768 4.753 -10.330 1.00 1.31 H new ATOM 0 HD3 LYS A 17 69.321 6.417 -10.649 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.907 6.604 -8.371 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.203 6.234 -8.189 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.761 4.714 -6.936 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.679 3.911 -7.969 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 70.299 4.118 -8.433 1.00 2.06 H new ATOM 257 N ASN A 18 67.731 1.208 -12.612 1.00 0.70 N ATOM 258 CA ASN A 18 67.110 0.005 -13.239 1.00 0.85 C ATOM 259 C ASN A 18 67.343 -1.223 -12.357 1.00 0.70 C ATOM 260 O ASN A 18 66.427 -1.958 -12.044 1.00 0.66 O ATOM 261 CB ASN A 18 67.822 -0.154 -14.583 1.00 1.11 C ATOM 262 CG ASN A 18 66.899 0.316 -15.709 1.00 1.68 C ATOM 263 OD1 ASN A 18 65.780 -0.143 -15.824 1.00 2.15 O ATOM 264 ND2 ASN A 18 67.323 1.220 -16.549 1.00 2.13 N ATOM 0 H ASN A 18 68.265 1.802 -13.246 1.00 0.70 H new ATOM 0 HA ASN A 18 66.032 0.110 -13.362 1.00 0.85 H new ATOM 0 HB2 ASN A 18 68.745 0.426 -14.589 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.100 -1.196 -14.738 1.00 1.11 H new ATOM 0 HD21 ASN A 18 66.715 1.541 -17.302 1.00 2.13 H new ATOM 0 HD22 ASN A 18 68.262 1.605 -16.452 1.00 2.13 H new ATOM 271 N GLU A 19 68.562 -1.449 -11.949 1.00 0.76 N ATOM 272 CA GLU A 19 68.852 -2.627 -11.081 1.00 0.79 C ATOM 273 C GLU A 19 68.222 -2.424 -9.702 1.00 0.65 C ATOM 274 O GLU A 19 67.519 -3.278 -9.198 1.00 0.66 O ATOM 275 CB GLU A 19 70.377 -2.674 -10.974 1.00 0.98 C ATOM 276 CG GLU A 19 70.802 -3.999 -10.338 1.00 1.21 C ATOM 277 CD GLU A 19 72.329 -4.097 -10.336 1.00 1.82 C ATOM 278 OE1 GLU A 19 72.964 -3.144 -9.915 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.838 -5.123 -10.757 1.00 2.44 O ATOM 0 H GLU A 19 69.369 -0.870 -12.179 1.00 0.76 H new ATOM 0 HA GLU A 19 68.446 -3.554 -11.486 1.00 0.79 H new ATOM 0 HB2 GLU A 19 70.825 -2.572 -11.962 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.736 -1.838 -10.374 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.421 -4.064 -9.319 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.374 -4.834 -10.892 1.00 1.21 H new ATOM 286 N PHE A 20 68.465 -1.298 -9.089 1.00 0.67 N ATOM 287 CA PHE A 20 67.875 -1.038 -7.744 1.00 0.75 C ATOM 288 C PHE A 20 66.352 -1.158 -7.813 1.00 0.66 C ATOM 289 O PHE A 20 65.739 -1.883 -7.056 1.00 0.79 O ATOM 290 CB PHE A 20 68.287 0.393 -7.399 1.00 0.97 C ATOM 291 CG PHE A 20 69.611 0.379 -6.674 1.00 1.44 C ATOM 292 CD1 PHE A 20 69.835 -0.544 -5.645 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.615 1.288 -7.029 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.062 -0.558 -4.972 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.842 1.274 -6.356 1.00 3.36 C ATOM 296 CZ PHE A 20 72.065 0.351 -5.327 1.00 3.69 C ATOM 0 H PHE A 20 69.046 -0.547 -9.461 1.00 0.67 H new ATOM 0 HA PHE A 20 68.219 -1.749 -6.993 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.365 0.989 -8.308 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.525 0.861 -6.776 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.061 -1.245 -5.371 1.00 2.24 H new ATOM 0 HD2 PHE A 20 70.443 2.000 -7.822 1.00 2.35 H new ATOM 0 HE1 PHE A 20 71.235 -1.270 -4.179 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.617 1.975 -6.630 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.012 0.341 -4.807 1.00 3.69 H new ATOM 306 N LYS A 21 65.735 -0.453 -8.724 1.00 0.60 N ATOM 307 CA LYS A 21 64.253 -0.528 -8.848 1.00 0.65 C ATOM 308 C LYS A 21 63.827 -1.962 -9.169 1.00 0.57 C ATOM 309 O LYS A 21 62.806 -2.437 -8.712 1.00 0.57 O ATOM 310 CB LYS A 21 63.904 0.407 -10.007 1.00 0.78 C ATOM 311 CG LYS A 21 62.966 1.508 -9.510 1.00 1.27 C ATOM 312 CD LYS A 21 61.599 0.904 -9.182 1.00 1.58 C ATOM 313 CE LYS A 21 61.339 1.016 -7.678 1.00 2.42 C ATOM 314 NZ LYS A 21 59.909 1.419 -7.566 1.00 2.88 N ATOM 0 H LYS A 21 66.195 0.171 -9.387 1.00 0.60 H new ATOM 0 HA LYS A 21 63.744 -0.241 -7.928 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.812 0.847 -10.419 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.429 -0.155 -10.811 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.386 1.986 -8.625 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.861 2.282 -10.271 1.00 1.27 H new ATOM 0 HD2 LYS A 21 60.818 1.423 -9.737 1.00 1.58 H new ATOM 0 HD3 LYS A 21 61.568 -0.141 -9.490 1.00 1.58 H new ATOM 0 HE2 LYS A 21 61.523 0.068 -7.173 1.00 2.42 H new ATOM 0 HE3 LYS A 21 61.995 1.755 -7.217 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 59.653 1.517 -6.563 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 59.766 2.328 -8.050 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 59.308 0.694 -8.007 1.00 2.88 H new ATOM 328 N ALA A 22 64.607 -2.658 -9.951 1.00 0.59 N ATOM 329 CA ALA A 22 64.251 -4.063 -10.301 1.00 0.62 C ATOM 330 C ALA A 22 64.376 -4.959 -9.068 1.00 0.50 C ATOM 331 O ALA A 22 63.473 -5.699 -8.731 1.00 0.50 O ATOM 332 CB ALA A 22 65.266 -4.474 -11.368 1.00 0.76 C ATOM 0 H ALA A 22 65.475 -2.315 -10.362 1.00 0.59 H new ATOM 0 HA ALA A 22 63.225 -4.154 -10.659 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.071 -5.500 -11.680 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.178 -3.811 -12.228 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.273 -4.405 -10.958 1.00 0.76 H new ATOM 338 N ALA A 23 65.488 -4.897 -8.389 1.00 0.50 N ATOM 339 CA ALA A 23 65.669 -5.744 -7.177 1.00 0.53 C ATOM 340 C ALA A 23 64.543 -5.477 -6.174 1.00 0.46 C ATOM 341 O ALA A 23 63.875 -6.384 -5.718 1.00 0.52 O ATOM 342 CB ALA A 23 67.017 -5.320 -6.595 1.00 0.64 C ATOM 0 H ALA A 23 66.279 -4.296 -8.621 1.00 0.50 H new ATOM 0 HA ALA A 23 65.643 -6.809 -7.409 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.224 -5.900 -5.696 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.802 -5.497 -7.330 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.987 -4.260 -6.344 1.00 0.64 H new ATOM 348 N PHE A 24 64.326 -4.236 -5.830 1.00 0.47 N ATOM 349 CA PHE A 24 63.243 -3.911 -4.859 1.00 0.57 C ATOM 350 C PHE A 24 61.941 -4.609 -5.261 1.00 0.48 C ATOM 351 O PHE A 24 61.264 -5.201 -4.442 1.00 0.51 O ATOM 352 CB PHE A 24 63.083 -2.392 -4.939 1.00 0.77 C ATOM 353 CG PHE A 24 61.888 -1.968 -4.120 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.595 -2.137 -4.631 1.00 1.54 C ATOM 355 CD2 PHE A 24 62.072 -1.406 -2.852 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.486 -1.744 -3.872 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.963 -1.013 -2.093 1.00 1.72 C ATOM 358 CZ PHE A 24 59.670 -1.182 -2.602 1.00 1.25 C ATOM 0 H PHE A 24 64.851 -3.434 -6.179 1.00 0.47 H new ATOM 0 HA PHE A 24 63.482 -4.245 -3.849 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.983 -1.901 -4.570 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.954 -2.083 -5.976 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.453 -2.570 -5.610 1.00 1.54 H new ATOM 0 HD2 PHE A 24 63.069 -1.275 -2.459 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.489 -1.874 -4.266 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.105 -0.579 -1.114 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.815 -0.879 -2.016 1.00 1.25 H new ATOM 368 N ASP A 25 61.583 -4.544 -6.514 1.00 0.45 N ATOM 369 CA ASP A 25 60.324 -5.205 -6.965 1.00 0.53 C ATOM 370 C ASP A 25 60.456 -6.726 -6.856 1.00 0.52 C ATOM 371 O ASP A 25 59.513 -7.418 -6.528 1.00 0.60 O ATOM 372 CB ASP A 25 60.157 -4.784 -8.426 1.00 0.66 C ATOM 373 CG ASP A 25 58.710 -5.016 -8.862 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.269 -6.152 -8.806 1.00 1.52 O ATOM 375 OD2 ASP A 25 58.066 -4.053 -9.244 1.00 1.55 O ATOM 0 H ASP A 25 62.107 -4.062 -7.245 1.00 0.45 H new ATOM 0 HA ASP A 25 59.466 -4.917 -6.357 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.420 -3.733 -8.545 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.835 -5.356 -9.060 1.00 0.66 H new ATOM 380 N ILE A 26 61.618 -7.251 -7.129 1.00 0.50 N ATOM 381 CA ILE A 26 61.810 -8.727 -7.041 1.00 0.63 C ATOM 382 C ILE A 26 61.831 -9.171 -5.575 1.00 0.70 C ATOM 383 O ILE A 26 61.467 -10.283 -5.249 1.00 0.94 O ATOM 384 CB ILE A 26 63.165 -8.989 -7.698 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.129 -8.502 -9.148 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.465 -10.488 -7.672 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.558 -8.260 -9.640 1.00 0.69 C ATOM 0 H ILE A 26 62.444 -6.722 -7.409 1.00 0.50 H new ATOM 0 HA ILE A 26 61.006 -9.278 -7.529 1.00 0.63 H new ATOM 0 HB ILE A 26 63.943 -8.454 -7.152 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.636 -9.241 -9.779 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.548 -7.583 -9.220 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.431 -10.674 -8.141 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.490 -10.836 -6.639 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.688 -11.024 -8.217 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.533 -7.913 -10.673 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.035 -7.505 -9.015 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.125 -9.189 -9.583 1.00 0.69 H new ATOM 399 N PHE A 27 62.256 -8.309 -4.691 1.00 0.61 N ATOM 400 CA PHE A 27 62.302 -8.682 -3.248 1.00 0.79 C ATOM 401 C PHE A 27 60.964 -8.364 -2.576 1.00 0.76 C ATOM 402 O PHE A 27 60.547 -9.036 -1.654 1.00 1.03 O ATOM 403 CB PHE A 27 63.419 -7.825 -2.653 1.00 0.91 C ATOM 404 CG PHE A 27 64.754 -8.460 -2.961 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.111 -9.668 -2.349 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.632 -7.844 -3.859 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.348 -10.259 -2.637 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.869 -8.435 -4.147 1.00 2.83 C ATOM 409 CZ PHE A 27 67.226 -9.643 -3.536 1.00 3.21 C ATOM 0 H PHE A 27 62.573 -7.364 -4.905 1.00 0.61 H new ATOM 0 HA PHE A 27 62.484 -9.747 -3.102 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.379 -6.817 -3.066 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.287 -7.733 -1.575 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.433 -10.144 -1.656 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.356 -6.912 -4.330 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.624 -11.190 -2.165 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.547 -7.959 -4.840 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.179 -10.100 -3.758 1.00 3.21 H new ATOM 419 N VAL A 28 60.287 -7.346 -3.031 1.00 0.63 N ATOM 420 CA VAL A 28 58.977 -6.992 -2.418 1.00 0.65 C ATOM 421 C VAL A 28 57.927 -8.041 -2.800 1.00 0.65 C ATOM 422 O VAL A 28 56.844 -8.078 -2.252 1.00 0.74 O ATOM 423 CB VAL A 28 58.644 -5.604 -2.987 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.146 -5.479 -3.286 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.039 -4.544 -1.961 1.00 1.47 C ATOM 0 H VAL A 28 60.584 -6.745 -3.800 1.00 0.63 H new ATOM 0 HA VAL A 28 59.000 -6.972 -1.328 1.00 0.65 H new ATOM 0 HB VAL A 28 59.195 -5.464 -3.917 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.937 -4.488 -3.688 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.856 -6.235 -4.016 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.578 -5.626 -2.367 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.808 -3.554 -2.353 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.484 -4.707 -1.037 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.108 -4.613 -1.759 1.00 1.47 H new ATOM 435 N LEU A 29 58.245 -8.898 -3.727 1.00 0.92 N ATOM 436 CA LEU A 29 57.271 -9.949 -4.132 1.00 0.99 C ATOM 437 C LEU A 29 56.774 -10.700 -2.896 1.00 0.99 C ATOM 438 O LEU A 29 55.658 -11.177 -2.850 1.00 1.10 O ATOM 439 CB LEU A 29 58.064 -10.887 -5.035 1.00 1.43 C ATOM 440 CG LEU A 29 57.459 -10.881 -6.439 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.242 -9.438 -6.897 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.414 -11.584 -7.409 1.00 2.45 C ATOM 0 H LEU A 29 59.137 -8.917 -4.222 1.00 0.92 H new ATOM 0 HA LEU A 29 56.396 -9.536 -4.635 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.107 -10.573 -5.076 1.00 1.43 H new ATOM 0 HB3 LEU A 29 58.051 -11.898 -4.627 1.00 1.43 H new ATOM 0 HG LEU A 29 56.503 -11.405 -6.423 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.811 -9.435 -7.898 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.563 -8.936 -6.208 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.197 -8.913 -6.912 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.983 -11.580 -8.410 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.370 -11.060 -7.423 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.569 -12.613 -7.085 1.00 2.45 H new ATOM 454 N GLY A 30 57.600 -10.802 -1.893 1.00 1.16 N ATOM 455 CA GLY A 30 57.187 -11.516 -0.653 1.00 1.58 C ATOM 456 C GLY A 30 57.007 -10.500 0.473 1.00 1.39 C ATOM 457 O GLY A 30 56.710 -10.851 1.598 1.00 1.89 O ATOM 0 H GLY A 30 58.546 -10.421 -1.878 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.256 -12.057 -0.823 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.939 -12.255 -0.376 1.00 1.58 H new ATOM 461 N ALA A 31 57.188 -9.241 0.179 1.00 0.90 N ATOM 462 CA ALA A 31 57.029 -8.197 1.232 1.00 0.95 C ATOM 463 C ALA A 31 55.658 -8.326 1.902 1.00 1.15 C ATOM 464 O ALA A 31 54.974 -9.319 1.754 1.00 1.41 O ATOM 465 CB ALA A 31 57.138 -6.865 0.489 1.00 0.97 C ATOM 0 H ALA A 31 57.439 -8.890 -0.745 1.00 0.90 H new ATOM 0 HA ALA A 31 57.777 -8.288 2.019 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.031 -6.043 1.197 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.111 -6.799 0.001 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.350 -6.802 -0.262 1.00 0.97 H new ATOM 471 N GLU A 32 55.250 -7.330 2.638 1.00 1.35 N ATOM 472 CA GLU A 32 53.924 -7.402 3.316 1.00 1.90 C ATOM 473 C GLU A 32 53.067 -6.194 2.931 1.00 2.05 C ATOM 474 O GLU A 32 51.856 -6.273 2.871 1.00 2.79 O ATOM 475 CB GLU A 32 54.245 -7.378 4.810 1.00 2.37 C ATOM 476 CG GLU A 32 53.048 -7.910 5.599 1.00 2.44 C ATOM 477 CD GLU A 32 53.114 -7.394 7.037 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.385 -6.216 7.211 1.00 3.29 O ATOM 479 OE2 GLU A 32 52.896 -8.184 7.941 1.00 3.24 O ATOM 0 H GLU A 32 55.775 -6.471 2.800 1.00 1.35 H new ATOM 0 HA GLU A 32 53.362 -8.292 3.033 1.00 1.90 H new ATOM 0 HB2 GLU A 32 55.127 -7.986 5.013 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.479 -6.361 5.126 1.00 2.37 H new ATOM 0 HG2 GLU A 32 52.118 -7.590 5.129 1.00 2.44 H new ATOM 0 HG3 GLU A 32 53.050 -9.000 5.592 1.00 2.44 H new ATOM 486 N ASP A 33 53.685 -5.076 2.669 1.00 1.80 N ATOM 487 CA ASP A 33 52.904 -3.864 2.287 1.00 2.11 C ATOM 488 C ASP A 33 53.456 -3.263 0.991 1.00 1.47 C ATOM 489 O ASP A 33 52.731 -2.689 0.204 1.00 1.80 O ATOM 490 CB ASP A 33 53.092 -2.889 3.451 1.00 3.12 C ATOM 491 CG ASP A 33 54.582 -2.756 3.770 1.00 3.68 C ATOM 492 OD1 ASP A 33 55.232 -1.940 3.138 1.00 4.12 O ATOM 493 OD2 ASP A 33 55.048 -3.471 4.642 1.00 4.09 O ATOM 0 H ASP A 33 54.696 -4.948 2.703 1.00 1.80 H new ATOM 0 HA ASP A 33 51.853 -4.091 2.109 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.676 -1.915 3.194 1.00 3.12 H new ATOM 0 HB3 ASP A 33 52.552 -3.245 4.328 1.00 3.12 H new ATOM 498 N GLY A 34 54.735 -3.393 0.763 1.00 1.10 N ATOM 499 CA GLY A 34 55.330 -2.828 -0.481 1.00 1.40 C ATOM 500 C GLY A 34 56.691 -2.208 -0.161 1.00 1.17 C ATOM 501 O GLY A 34 57.048 -1.169 -0.680 1.00 1.39 O ATOM 0 H GLY A 34 55.392 -3.865 1.384 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.443 -3.611 -1.231 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.666 -2.074 -0.904 1.00 1.40 H new ATOM 505 N SER A 35 57.452 -2.836 0.693 1.00 0.84 N ATOM 506 CA SER A 35 58.790 -2.280 1.046 1.00 0.70 C ATOM 507 C SER A 35 59.714 -3.398 1.532 1.00 0.67 C ATOM 508 O SER A 35 59.312 -4.537 1.660 1.00 0.80 O ATOM 509 CB SER A 35 58.521 -1.279 2.169 1.00 0.75 C ATOM 510 OG SER A 35 59.752 -0.717 2.601 1.00 1.04 O ATOM 0 H SER A 35 57.206 -3.708 1.161 1.00 0.84 H new ATOM 0 HA SER A 35 59.280 -1.811 0.193 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.852 -0.493 1.819 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.022 -1.775 3.002 1.00 0.75 H new ATOM 0 HG SER A 35 60.387 -0.706 1.854 1.00 1.04 H new ATOM 516 N ILE A 36 60.948 -3.080 1.806 1.00 0.69 N ATOM 517 CA ILE A 36 61.902 -4.126 2.285 1.00 0.78 C ATOM 518 C ILE A 36 62.479 -3.713 3.642 1.00 0.71 C ATOM 519 O ILE A 36 63.304 -2.825 3.733 1.00 0.98 O ATOM 520 CB ILE A 36 63.024 -4.223 1.231 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.731 -3.315 0.024 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.133 -5.672 0.750 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.677 -3.663 -1.127 1.00 1.22 C ATOM 0 H ILE A 36 61.340 -2.142 1.720 1.00 0.69 H new ATOM 0 HA ILE A 36 61.407 -5.089 2.410 1.00 0.78 H new ATOM 0 HB ILE A 36 63.958 -3.899 1.689 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.696 -3.439 -0.294 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.855 -2.269 0.305 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.924 -5.749 0.004 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.366 -6.319 1.595 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.186 -5.981 0.307 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.466 -3.017 -1.979 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.709 -3.516 -0.807 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.532 -4.704 -1.415 1.00 1.22 H new ATOM 535 N SER A 37 62.045 -4.344 4.699 1.00 0.87 N ATOM 536 CA SER A 37 62.559 -3.983 6.050 1.00 0.87 C ATOM 537 C SER A 37 63.873 -4.713 6.341 1.00 0.76 C ATOM 538 O SER A 37 64.255 -5.629 5.642 1.00 0.87 O ATOM 539 CB SER A 37 61.470 -4.437 7.021 1.00 1.12 C ATOM 540 OG SER A 37 62.077 -4.991 8.183 1.00 1.52 O ATOM 0 H SER A 37 61.355 -5.095 4.685 1.00 0.87 H new ATOM 0 HA SER A 37 62.768 -2.917 6.135 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.836 -3.594 7.295 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.827 -5.177 6.544 1.00 1.12 H new ATOM 0 HG SER A 37 62.174 -4.294 8.865 1.00 1.52 H new ATOM 546 N THR A 38 64.564 -4.309 7.372 1.00 0.71 N ATOM 547 CA THR A 38 65.857 -4.975 7.717 1.00 0.65 C ATOM 548 C THR A 38 65.734 -6.493 7.561 1.00 0.70 C ATOM 549 O THR A 38 66.651 -7.156 7.115 1.00 1.37 O ATOM 550 CB THR A 38 66.138 -4.605 9.178 1.00 0.76 C ATOM 551 OG1 THR A 38 66.987 -5.588 9.755 1.00 1.55 O ATOM 552 CG2 THR A 38 64.829 -4.539 9.965 1.00 1.00 C ATOM 0 H THR A 38 64.291 -3.546 7.992 1.00 0.71 H new ATOM 0 HA THR A 38 66.664 -4.652 7.060 1.00 0.65 H new ATOM 0 HB THR A 38 66.623 -3.629 9.213 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.170 -5.354 10.689 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.040 -4.275 11.001 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.177 -3.785 9.524 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.335 -5.510 9.931 1.00 1.00 H new ATOM 560 N LYS A 39 64.612 -7.051 7.925 1.00 0.60 N ATOM 561 CA LYS A 39 64.437 -8.526 7.794 1.00 0.66 C ATOM 562 C LYS A 39 64.125 -8.892 6.340 1.00 0.64 C ATOM 563 O LYS A 39 64.371 -9.998 5.901 1.00 0.87 O ATOM 564 CB LYS A 39 63.254 -8.869 8.701 1.00 0.81 C ATOM 565 CG LYS A 39 62.962 -10.368 8.614 1.00 1.42 C ATOM 566 CD LYS A 39 64.154 -11.153 9.166 1.00 1.58 C ATOM 567 CE LYS A 39 63.680 -12.079 10.288 1.00 2.15 C ATOM 568 NZ LYS A 39 64.926 -12.662 10.858 1.00 2.80 N ATOM 0 H LYS A 39 63.810 -6.550 8.307 1.00 0.60 H new ATOM 0 HA LYS A 39 65.335 -9.076 8.075 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.479 -8.591 9.731 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.375 -8.298 8.401 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.062 -10.607 9.180 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.773 -10.653 7.579 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.619 -11.736 8.371 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.912 -10.466 9.543 1.00 1.58 H new ATOM 0 HE2 LYS A 39 63.120 -11.529 11.044 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.019 -12.857 9.905 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.683 -13.309 11.635 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 65.435 -13.186 10.117 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 65.532 -11.899 11.221 1.00 2.80 H new ATOM 582 N GLU A 40 63.585 -7.969 5.591 1.00 0.63 N ATOM 583 CA GLU A 40 63.256 -8.260 4.165 1.00 0.68 C ATOM 584 C GLU A 40 64.387 -7.775 3.252 1.00 0.66 C ATOM 585 O GLU A 40 64.768 -8.442 2.311 1.00 0.83 O ATOM 586 CB GLU A 40 61.972 -7.477 3.889 1.00 0.86 C ATOM 587 CG GLU A 40 60.840 -8.449 3.552 1.00 1.05 C ATOM 588 CD GLU A 40 61.289 -9.389 2.431 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.213 -9.032 1.720 1.00 2.32 O ATOM 590 OE2 GLU A 40 60.699 -10.450 2.304 1.00 1.92 O ATOM 0 H GLU A 40 63.357 -7.026 5.905 1.00 0.63 H new ATOM 0 HA GLU A 40 63.132 -9.327 3.978 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.704 -6.879 4.760 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.128 -6.784 3.062 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.566 -9.025 4.436 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.952 -7.897 3.244 1.00 1.05 H new ATOM 597 N LEU A 41 64.924 -6.617 3.525 1.00 0.73 N ATOM 598 CA LEU A 41 66.028 -6.085 2.675 1.00 0.80 C ATOM 599 C LEU A 41 67.278 -6.958 2.820 1.00 0.72 C ATOM 600 O LEU A 41 68.117 -7.010 1.942 1.00 0.81 O ATOM 601 CB LEU A 41 66.293 -4.676 3.208 1.00 1.10 C ATOM 602 CG LEU A 41 67.527 -4.090 2.519 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.138 -2.814 1.772 1.00 1.94 C ATOM 604 CD2 LEU A 41 68.588 -3.759 3.572 1.00 1.83 C ATOM 0 H LEU A 41 64.646 -6.016 4.301 1.00 0.73 H new ATOM 0 HA LEU A 41 65.768 -6.079 1.617 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.427 -4.039 3.028 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.447 -4.707 4.287 1.00 1.10 H new ATOM 0 HG LEU A 41 67.927 -4.817 1.812 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.018 -2.397 1.281 1.00 1.94 H new ATOM 0 HD12 LEU A 41 66.381 -3.047 1.023 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.738 -2.087 2.478 1.00 1.94 H new ATOM 0 HD21 LEU A 41 69.468 -3.341 3.083 1.00 1.83 H new ATOM 0 HD22 LEU A 41 68.186 -3.032 4.278 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.867 -4.668 4.106 1.00 1.83 H new ATOM 616 N GLY A 42 67.410 -7.645 3.921 1.00 0.72 N ATOM 617 CA GLY A 42 68.606 -8.513 4.120 1.00 0.91 C ATOM 618 C GLY A 42 68.856 -9.339 2.856 1.00 0.78 C ATOM 619 O GLY A 42 69.965 -9.755 2.584 1.00 0.84 O ATOM 0 H GLY A 42 66.742 -7.643 4.692 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.479 -7.901 4.345 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.451 -9.173 4.973 1.00 0.91 H new ATOM 623 N LYS A 43 67.834 -9.578 2.080 1.00 0.77 N ATOM 624 CA LYS A 43 68.016 -10.377 0.834 1.00 0.86 C ATOM 625 C LYS A 43 68.518 -9.480 -0.301 1.00 0.79 C ATOM 626 O LYS A 43 69.189 -9.928 -1.209 1.00 0.99 O ATOM 627 CB LYS A 43 66.626 -10.925 0.509 1.00 0.95 C ATOM 628 CG LYS A 43 66.003 -11.518 1.775 1.00 1.34 C ATOM 629 CD LYS A 43 65.353 -12.862 1.443 1.00 2.13 C ATOM 630 CE LYS A 43 66.440 -13.921 1.247 1.00 2.65 C ATOM 631 NZ LYS A 43 65.733 -15.095 0.662 1.00 2.98 N ATOM 0 H LYS A 43 66.882 -9.255 2.254 1.00 0.77 H new ATOM 0 HA LYS A 43 68.750 -11.173 0.957 1.00 0.86 H new ATOM 0 HB2 LYS A 43 65.992 -10.130 0.117 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.696 -11.688 -0.266 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.767 -11.651 2.541 1.00 1.34 H new ATOM 0 HG3 LYS A 43 65.259 -10.833 2.182 1.00 1.34 H new ATOM 0 HD2 LYS A 43 64.680 -13.161 2.247 1.00 2.13 H new ATOM 0 HD3 LYS A 43 64.750 -12.773 0.539 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.226 -13.562 0.582 1.00 2.65 H new ATOM 0 HE3 LYS A 43 66.916 -14.178 2.193 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 66.414 -15.864 0.499 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 64.995 -15.419 1.320 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 65.296 -14.822 -0.241 1.00 2.98 H new ATOM 645 N VAL A 44 68.200 -8.215 -0.255 1.00 0.72 N ATOM 646 CA VAL A 44 68.661 -7.290 -1.329 1.00 0.93 C ATOM 647 C VAL A 44 70.143 -6.955 -1.139 1.00 0.89 C ATOM 648 O VAL A 44 70.832 -6.594 -2.069 1.00 1.06 O ATOM 649 CB VAL A 44 67.802 -6.036 -1.168 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.283 -4.961 -2.143 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.340 -6.377 -1.466 1.00 1.80 C ATOM 0 H VAL A 44 67.641 -7.782 0.480 1.00 0.72 H new ATOM 0 HA VAL A 44 68.560 -7.728 -2.322 1.00 0.93 H new ATOM 0 HB VAL A 44 67.888 -5.666 -0.146 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.671 -4.066 -2.029 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.324 -4.718 -1.932 1.00 1.72 H new ATOM 0 HG13 VAL A 44 68.197 -5.332 -3.164 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.727 -5.483 -1.351 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.254 -6.747 -2.487 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.996 -7.144 -0.772 1.00 1.80 H new ATOM 661 N MET A 45 70.636 -7.072 0.062 1.00 0.86 N ATOM 662 CA MET A 45 72.072 -6.759 0.311 1.00 1.06 C ATOM 663 C MET A 45 72.964 -7.863 -0.265 1.00 1.08 C ATOM 664 O MET A 45 73.875 -7.606 -1.026 1.00 1.14 O ATOM 665 CB MET A 45 72.205 -6.712 1.831 1.00 1.34 C ATOM 666 CG MET A 45 71.351 -5.570 2.385 1.00 1.88 C ATOM 667 SD MET A 45 71.940 -5.125 4.037 1.00 2.45 S ATOM 668 CE MET A 45 71.900 -3.330 3.818 1.00 3.35 C ATOM 0 H MET A 45 70.108 -7.371 0.882 1.00 0.86 H new ATOM 0 HA MET A 45 72.377 -5.824 -0.159 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.887 -7.661 2.264 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.249 -6.568 2.111 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.406 -4.706 1.723 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.305 -5.872 2.429 1.00 1.88 H new ATOM 0 HE1 MET A 45 71.447 -2.867 4.694 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.916 -2.956 3.694 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.313 -3.084 2.933 1.00 3.35 H new ATOM 678 N ARG A 46 72.712 -9.089 0.103 1.00 1.20 N ATOM 679 CA ARG A 46 73.546 -10.212 -0.413 1.00 1.46 C ATOM 680 C ARG A 46 73.487 -10.270 -1.942 1.00 1.52 C ATOM 681 O ARG A 46 74.435 -10.663 -2.592 1.00 1.73 O ATOM 682 CB ARG A 46 72.927 -11.471 0.195 1.00 1.74 C ATOM 683 CG ARG A 46 73.971 -12.197 1.045 1.00 1.93 C ATOM 684 CD ARG A 46 74.489 -13.417 0.280 1.00 2.48 C ATOM 685 NE ARG A 46 75.448 -12.866 -0.716 1.00 2.64 N ATOM 686 CZ ARG A 46 76.228 -13.671 -1.382 1.00 3.08 C ATOM 687 NH1 ARG A 46 76.922 -14.579 -0.751 1.00 3.64 N ATOM 688 NH2 ARG A 46 76.317 -13.569 -2.681 1.00 3.41 N ATOM 0 H ARG A 46 71.963 -9.362 0.740 1.00 1.20 H new ATOM 0 HA ARG A 46 74.597 -10.099 -0.146 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.065 -11.205 0.808 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.566 -12.129 -0.595 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.796 -11.525 1.281 1.00 1.93 H new ATOM 0 HG3 ARG A 46 73.532 -12.508 1.993 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.978 -14.125 0.949 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.675 -13.951 -0.209 1.00 2.48 H new ATOM 0 HE ARG A 46 75.495 -11.860 -0.877 1.00 2.64 H new ATOM 0 HH11 ARG A 46 76.854 -14.659 0.264 1.00 3.64 H new ATOM 0 HH12 ARG A 46 77.532 -15.208 -1.273 1.00 3.64 H new ATOM 0 HH21 ARG A 46 75.776 -12.859 -3.175 1.00 3.41 H new ATOM 0 HH22 ARG A 46 76.927 -14.199 -3.201 1.00 3.41 H new ATOM 702 N MET A 47 72.383 -9.889 -2.524 1.00 1.46 N ATOM 703 CA MET A 47 72.276 -9.933 -4.012 1.00 1.73 C ATOM 704 C MET A 47 72.965 -8.712 -4.637 1.00 1.75 C ATOM 705 O MET A 47 73.420 -8.753 -5.762 1.00 2.01 O ATOM 706 CB MET A 47 70.770 -9.933 -4.308 1.00 1.70 C ATOM 707 CG MET A 47 70.228 -8.501 -4.302 1.00 1.96 C ATOM 708 SD MET A 47 70.183 -7.867 -5.997 1.00 1.94 S ATOM 709 CE MET A 47 68.812 -8.892 -6.586 1.00 1.52 C ATOM 0 H MET A 47 71.553 -9.550 -2.037 1.00 1.46 H new ATOM 0 HA MET A 47 72.766 -10.810 -4.434 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.583 -10.396 -5.277 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.246 -10.531 -3.562 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.228 -8.481 -3.868 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.858 -7.865 -3.681 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.081 -9.346 -7.540 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.604 -9.675 -5.857 1.00 1.52 H new ATOM 0 HE3 MET A 47 67.924 -8.273 -6.716 1.00 1.52 H new ATOM 719 N LEU A 48 73.041 -7.626 -3.916 1.00 1.60 N ATOM 720 CA LEU A 48 73.698 -6.407 -4.472 1.00 1.69 C ATOM 721 C LEU A 48 75.212 -6.473 -4.254 1.00 1.68 C ATOM 722 O LEU A 48 75.987 -6.054 -5.092 1.00 1.99 O ATOM 723 CB LEU A 48 73.091 -5.239 -3.693 1.00 1.73 C ATOM 724 CG LEU A 48 71.632 -5.049 -4.115 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.951 -4.053 -3.173 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.581 -4.509 -5.546 1.00 2.15 C ATOM 0 H LEU A 48 72.678 -7.530 -2.968 1.00 1.60 H new ATOM 0 HA LEU A 48 73.539 -6.306 -5.546 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.149 -5.433 -2.622 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.658 -4.327 -3.883 1.00 1.73 H new ATOM 0 HG LEU A 48 71.114 -6.007 -4.067 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.912 -3.919 -3.475 1.00 1.86 H new ATOM 0 HD12 LEU A 48 70.986 -4.435 -2.153 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.469 -3.095 -3.220 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.542 -4.374 -5.847 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.100 -3.552 -5.592 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.064 -5.217 -6.219 1.00 2.15 H new ATOM 738 N GLY A 49 75.640 -6.996 -3.139 1.00 1.63 N ATOM 739 CA GLY A 49 77.104 -7.087 -2.872 1.00 1.87 C ATOM 740 C GLY A 49 77.396 -6.619 -1.445 1.00 1.54 C ATOM 741 O GLY A 49 78.397 -5.984 -1.183 1.00 1.53 O ATOM 0 H GLY A 49 75.040 -7.364 -2.401 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.445 -8.114 -3.006 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.653 -6.473 -3.586 1.00 1.87 H new ATOM 745 N GLN A 50 76.529 -6.928 -0.521 1.00 1.37 N ATOM 746 CA GLN A 50 76.759 -6.501 0.889 1.00 1.17 C ATOM 747 C GLN A 50 76.552 -7.683 1.840 1.00 1.24 C ATOM 748 O GLN A 50 75.635 -8.464 1.683 1.00 1.75 O ATOM 749 CB GLN A 50 75.717 -5.412 1.148 1.00 1.29 C ATOM 750 CG GLN A 50 76.105 -4.142 0.389 1.00 1.28 C ATOM 751 CD GLN A 50 76.328 -3.001 1.383 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.738 -1.854 1.185 1.00 1.89 O flip ATOM 753 NE2 GLN A 50 77.046 -3.154 2.352 1.00 1.85 N flip ATOM 0 H GLN A 50 75.672 -7.457 -0.680 1.00 1.37 H new ATOM 0 HA GLN A 50 77.774 -6.139 1.051 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.732 -5.753 0.828 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.651 -5.204 2.216 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.011 -4.315 -0.191 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.320 -3.874 -0.318 1.00 1.28 H new ATOM 0 HE21 GLN A 50 77.508 -4.050 2.508 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.187 -2.386 3.009 1.00 1.85 H new ATOM 762 N ASN A 51 77.397 -7.818 2.824 1.00 1.18 N ATOM 763 CA ASN A 51 77.250 -8.950 3.783 1.00 1.29 C ATOM 764 C ASN A 51 77.335 -8.436 5.224 1.00 1.07 C ATOM 765 O ASN A 51 78.101 -8.941 6.020 1.00 1.45 O ATOM 766 CB ASN A 51 78.421 -9.883 3.475 1.00 1.96 C ATOM 767 CG ASN A 51 78.068 -11.309 3.902 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.599 -11.815 4.870 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.187 -11.983 3.215 1.00 3.29 N ATOM 0 H ASN A 51 78.183 -7.194 3.006 1.00 1.18 H new ATOM 0 HA ASN A 51 76.290 -9.456 3.683 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.649 -9.858 2.409 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.315 -9.546 4.000 1.00 1.96 H new ATOM 0 HD21 ASN A 51 76.944 -12.935 3.491 1.00 3.29 H new ATOM 0 HD22 ASN A 51 76.741 -11.558 2.402 1.00 3.29 H new ATOM 776 N PRO A 52 76.537 -7.443 5.508 1.00 1.47 N ATOM 777 CA PRO A 52 76.514 -6.845 6.867 1.00 2.11 C ATOM 778 C PRO A 52 75.874 -7.811 7.869 1.00 1.79 C ATOM 779 O PRO A 52 75.440 -8.889 7.515 1.00 2.07 O ATOM 780 CB PRO A 52 75.656 -5.593 6.691 1.00 2.97 C ATOM 781 CG PRO A 52 74.794 -5.882 5.504 1.00 2.97 C ATOM 782 CD PRO A 52 75.589 -6.788 4.600 1.00 2.03 C ATOM 0 HA PRO A 52 77.508 -6.624 7.255 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.054 -5.398 7.579 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.274 -4.711 6.525 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.863 -6.360 5.809 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.525 -4.960 4.988 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.949 -7.514 4.098 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.104 -6.225 3.822 1.00 2.03 H new ATOM 790 N THR A 53 75.816 -7.433 9.117 1.00 1.42 N ATOM 791 CA THR A 53 75.208 -8.332 10.141 1.00 1.16 C ATOM 792 C THR A 53 73.783 -7.877 10.470 1.00 0.98 C ATOM 793 O THR A 53 73.317 -6.877 9.962 1.00 0.92 O ATOM 794 CB THR A 53 76.109 -8.204 11.372 1.00 1.19 C ATOM 795 OG1 THR A 53 76.979 -7.092 11.211 1.00 1.40 O ATOM 796 CG2 THR A 53 76.936 -9.480 11.535 1.00 1.36 C ATOM 0 H THR A 53 76.163 -6.542 9.472 1.00 1.42 H new ATOM 0 HA THR A 53 75.139 -9.362 9.792 1.00 1.16 H new ATOM 0 HB THR A 53 75.492 -8.056 12.258 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.209 -6.726 12.091 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.577 -9.388 12.412 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.269 -10.333 11.661 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.552 -9.630 10.649 1.00 1.36 H new ATOM 804 N PRO A 54 73.139 -8.636 11.316 1.00 0.99 N ATOM 805 CA PRO A 54 71.748 -8.316 11.724 1.00 1.04 C ATOM 806 C PRO A 54 71.725 -7.096 12.649 1.00 0.93 C ATOM 807 O PRO A 54 70.870 -6.239 12.539 1.00 0.94 O ATOM 808 CB PRO A 54 71.297 -9.572 12.467 1.00 1.19 C ATOM 809 CG PRO A 54 72.560 -10.209 12.952 1.00 1.18 C ATOM 810 CD PRO A 54 73.641 -9.852 11.964 1.00 1.10 C ATOM 0 HA PRO A 54 71.101 -8.067 10.882 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.636 -9.323 13.297 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.744 -10.243 11.809 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.815 -9.850 13.949 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.444 -11.291 13.023 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.594 -9.675 12.462 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.802 -10.652 11.242 1.00 1.10 H new ATOM 818 N GLU A 55 72.655 -7.009 13.561 1.00 0.98 N ATOM 819 CA GLU A 55 72.679 -5.841 14.488 1.00 1.08 C ATOM 820 C GLU A 55 73.021 -4.562 13.720 1.00 0.97 C ATOM 821 O GLU A 55 72.366 -3.547 13.862 1.00 1.01 O ATOM 822 CB GLU A 55 73.774 -6.167 15.506 1.00 1.28 C ATOM 823 CG GLU A 55 73.212 -7.093 16.585 1.00 2.15 C ATOM 824 CD GLU A 55 72.089 -6.378 17.338 1.00 2.57 C ATOM 825 OE1 GLU A 55 72.367 -5.359 17.949 1.00 2.81 O ATOM 826 OE2 GLU A 55 70.969 -6.861 17.292 1.00 3.14 O ATOM 0 H GLU A 55 73.397 -7.694 13.704 1.00 0.98 H new ATOM 0 HA GLU A 55 71.714 -5.673 14.967 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.618 -6.643 15.007 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.148 -5.249 15.959 1.00 1.28 H new ATOM 0 HG2 GLU A 55 72.834 -8.009 16.132 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.002 -7.382 17.278 1.00 2.15 H new ATOM 833 N GLU A 56 74.039 -4.602 12.905 1.00 0.92 N ATOM 834 CA GLU A 56 74.421 -3.388 12.126 1.00 0.94 C ATOM 835 C GLU A 56 73.289 -2.993 11.173 1.00 0.84 C ATOM 836 O GLU A 56 73.065 -1.828 10.910 1.00 0.94 O ATOM 837 CB GLU A 56 75.665 -3.798 11.338 1.00 1.06 C ATOM 838 CG GLU A 56 76.920 -3.388 12.112 1.00 1.60 C ATOM 839 CD GLU A 56 77.085 -4.293 13.334 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.951 -5.496 13.178 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.343 -3.769 14.405 1.00 2.50 O ATOM 0 H GLU A 56 74.623 -5.422 12.744 1.00 0.92 H new ATOM 0 HA GLU A 56 74.610 -2.528 12.769 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.664 -4.875 11.171 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.659 -3.324 10.357 1.00 1.06 H new ATOM 0 HG2 GLU A 56 77.797 -3.463 11.469 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.843 -2.347 12.425 1.00 1.60 H new ATOM 848 N LEU A 57 72.577 -3.954 10.654 1.00 0.73 N ATOM 849 CA LEU A 57 71.461 -3.636 9.717 1.00 0.78 C ATOM 850 C LEU A 57 70.416 -2.759 10.413 1.00 0.80 C ATOM 851 O LEU A 57 70.211 -1.616 10.054 1.00 0.89 O ATOM 852 CB LEU A 57 70.860 -4.990 9.343 1.00 0.85 C ATOM 853 CG LEU A 57 71.387 -5.422 7.974 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.335 -6.946 7.865 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.518 -4.803 6.877 1.00 1.10 C ATOM 0 H LEU A 57 72.719 -4.947 10.838 1.00 0.73 H new ATOM 0 HA LEU A 57 71.803 -3.085 8.841 1.00 0.78 H new ATOM 0 HB2 LEU A 57 71.119 -5.735 10.096 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.772 -4.923 9.321 1.00 0.85 H new ATOM 0 HG LEU A 57 72.417 -5.085 7.857 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.711 -7.254 6.889 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.952 -7.388 8.647 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.305 -7.284 7.981 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.892 -5.110 5.900 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.488 -5.141 6.994 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.554 -3.716 6.954 1.00 1.10 H new ATOM 867 N GLN A 58 69.753 -3.286 11.405 1.00 0.81 N ATOM 868 CA GLN A 58 68.723 -2.484 12.124 1.00 0.95 C ATOM 869 C GLN A 58 69.231 -1.060 12.361 1.00 0.99 C ATOM 870 O GLN A 58 68.638 -0.096 11.918 1.00 1.13 O ATOM 871 CB GLN A 58 68.514 -3.209 13.453 1.00 1.09 C ATOM 872 CG GLN A 58 67.404 -2.515 14.243 1.00 1.25 C ATOM 873 CD GLN A 58 66.082 -2.641 13.484 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.792 -1.769 12.556 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 65.305 -3.539 13.737 1.00 1.74 N flip ATOM 0 H GLN A 58 69.880 -4.238 11.749 1.00 0.81 H new ATOM 0 HA GLN A 58 67.796 -2.398 11.557 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.250 -4.251 13.273 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.439 -3.209 14.029 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.312 -2.964 15.232 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.651 -1.464 14.392 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.531 -4.220 14.462 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.426 -3.612 13.225 1.00 1.74 H new ATOM 884 N GLU A 59 70.325 -0.918 13.059 1.00 0.97 N ATOM 885 CA GLU A 59 70.869 0.445 13.324 1.00 1.14 C ATOM 886 C GLU A 59 70.967 1.239 12.019 1.00 1.11 C ATOM 887 O GLU A 59 70.603 2.397 11.956 1.00 1.18 O ATOM 888 CB GLU A 59 72.259 0.210 13.916 1.00 1.23 C ATOM 889 CG GLU A 59 72.236 0.523 15.413 1.00 1.60 C ATOM 890 CD GLU A 59 73.670 0.557 15.949 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.359 -0.439 15.806 1.00 2.75 O ATOM 892 OE2 GLU A 59 74.052 1.579 16.495 1.00 2.77 O ATOM 0 H GLU A 59 70.865 -1.686 13.457 1.00 0.97 H new ATOM 0 HA GLU A 59 70.232 1.019 13.997 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.565 -0.824 13.755 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.992 0.841 13.413 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.748 1.482 15.588 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.655 -0.231 15.944 1.00 1.60 H new ATOM 899 N MET A 60 71.457 0.627 10.975 1.00 1.11 N ATOM 900 CA MET A 60 71.577 1.350 9.675 1.00 1.18 C ATOM 901 C MET A 60 70.237 1.991 9.302 1.00 1.13 C ATOM 902 O MET A 60 70.157 3.174 9.038 1.00 1.25 O ATOM 903 CB MET A 60 71.962 0.276 8.658 1.00 1.22 C ATOM 904 CG MET A 60 73.420 0.465 8.239 1.00 1.62 C ATOM 905 SD MET A 60 73.648 2.134 7.580 1.00 1.82 S ATOM 906 CE MET A 60 75.170 1.808 6.658 1.00 2.02 C ATOM 0 H MET A 60 71.779 -0.341 10.965 1.00 1.11 H new ATOM 0 HA MET A 60 72.312 2.154 9.715 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.823 -0.715 9.090 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.312 0.337 7.786 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.078 0.307 9.093 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.692 -0.275 7.486 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.497 2.721 6.161 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.946 1.470 7.345 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.985 1.036 5.911 1.00 2.02 H new ATOM 916 N ILE A 61 69.183 1.220 9.282 1.00 1.04 N ATOM 917 CA ILE A 61 67.850 1.790 8.927 1.00 1.11 C ATOM 918 C ILE A 61 67.411 2.798 9.993 1.00 1.23 C ATOM 919 O ILE A 61 67.147 3.947 9.704 1.00 1.40 O ATOM 920 CB ILE A 61 66.903 0.584 8.886 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.016 -0.100 7.523 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.457 1.044 9.101 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.528 -1.528 7.711 1.00 1.14 C ATOM 0 H ILE A 61 69.187 0.223 9.495 1.00 1.04 H new ATOM 0 HA ILE A 61 67.861 2.324 7.977 1.00 1.11 H new ATOM 0 HB ILE A 61 67.178 -0.114 9.677 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.045 -0.113 7.029 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.694 0.459 6.879 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.792 0.181 9.070 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.371 1.534 10.071 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.178 1.745 8.315 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.609 -2.016 6.740 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.508 -1.503 8.187 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.833 -2.084 8.340 1.00 1.14 H new ATOM 935 N ASP A 62 67.327 2.375 11.223 1.00 1.23 N ATOM 936 CA ASP A 62 66.899 3.307 12.307 1.00 1.43 C ATOM 937 C ASP A 62 67.573 4.672 12.135 1.00 1.48 C ATOM 938 O ASP A 62 67.061 5.686 12.567 1.00 1.67 O ATOM 939 CB ASP A 62 67.360 2.641 13.604 1.00 1.51 C ATOM 940 CG ASP A 62 66.640 3.283 14.791 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.444 3.496 14.689 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.299 3.552 15.782 1.00 2.13 O ATOM 0 H ASP A 62 67.536 1.424 11.526 1.00 1.23 H new ATOM 0 HA ASP A 62 65.823 3.484 12.297 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.149 1.572 13.572 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.439 2.749 13.717 1.00 1.51 H new ATOM 947 N GLU A 63 68.719 4.709 11.511 1.00 1.41 N ATOM 948 CA GLU A 63 69.422 6.010 11.319 1.00 1.52 C ATOM 949 C GLU A 63 68.914 6.713 10.055 1.00 1.47 C ATOM 950 O GLU A 63 68.563 7.876 10.080 1.00 1.80 O ATOM 951 CB GLU A 63 70.898 5.643 11.173 1.00 1.55 C ATOM 952 CG GLU A 63 71.740 6.547 12.076 1.00 2.11 C ATOM 953 CD GLU A 63 73.223 6.220 11.886 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.535 5.491 10.959 1.00 2.93 O ATOM 955 OE2 GLU A 63 74.021 6.706 12.671 1.00 2.32 O ATOM 0 H GLU A 63 69.199 3.895 11.126 1.00 1.41 H new ATOM 0 HA GLU A 63 69.251 6.696 12.149 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.052 4.598 11.441 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.211 5.755 10.135 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.554 7.594 11.836 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.456 6.404 13.119 1.00 2.11 H new ATOM 962 N VAL A 64 68.874 6.019 8.951 1.00 1.33 N ATOM 963 CA VAL A 64 68.391 6.652 7.688 1.00 1.29 C ATOM 964 C VAL A 64 66.859 6.639 7.637 1.00 1.21 C ATOM 965 O VAL A 64 66.244 7.463 6.991 1.00 1.50 O ATOM 966 CB VAL A 64 68.970 5.791 6.565 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.456 5.537 6.828 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.228 4.454 6.512 1.00 1.31 C ATOM 0 H VAL A 64 69.154 5.042 8.867 1.00 1.33 H new ATOM 0 HA VAL A 64 68.702 7.694 7.606 1.00 1.29 H new ATOM 0 HB VAL A 64 68.853 6.311 5.614 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.868 4.923 6.027 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.987 6.488 6.865 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.574 5.018 7.779 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.641 3.840 5.711 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.344 3.935 7.464 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.169 4.633 6.323 1.00 1.31 H new ATOM 978 N ASP A 65 66.242 5.710 8.312 1.00 1.27 N ATOM 979 CA ASP A 65 64.753 5.640 8.301 1.00 1.38 C ATOM 980 C ASP A 65 64.154 7.024 8.567 1.00 2.07 C ATOM 981 O ASP A 65 64.663 7.791 9.359 1.00 2.61 O ATOM 982 CB ASP A 65 64.396 4.676 9.433 1.00 1.38 C ATOM 983 CG ASP A 65 62.955 4.196 9.258 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.208 4.865 8.563 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.622 3.167 9.823 1.00 2.59 O ATOM 0 H ASP A 65 66.705 4.994 8.872 1.00 1.27 H new ATOM 0 HA ASP A 65 64.363 5.306 7.340 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.077 3.825 9.429 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.511 5.172 10.397 1.00 1.38 H new ATOM 990 N GLU A 66 63.074 7.346 7.910 1.00 2.65 N ATOM 991 CA GLU A 66 62.439 8.679 8.125 1.00 3.74 C ATOM 992 C GLU A 66 61.363 8.580 9.210 1.00 4.00 C ATOM 993 O GLU A 66 60.742 9.559 9.571 1.00 4.93 O ATOM 994 CB GLU A 66 61.815 9.041 6.777 1.00 4.58 C ATOM 995 CG GLU A 66 60.671 8.075 6.466 1.00 5.25 C ATOM 996 CD GLU A 66 59.857 8.607 5.286 1.00 6.17 C ATOM 997 OE1 GLU A 66 59.140 9.575 5.475 1.00 6.67 O ATOM 998 OE2 GLU A 66 59.965 8.037 4.212 1.00 6.61 O ATOM 0 H GLU A 66 62.603 6.745 7.234 1.00 2.65 H new ATOM 0 HA GLU A 66 63.154 9.432 8.456 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.443 10.065 6.800 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.569 8.993 5.991 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.069 7.088 6.231 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.030 7.960 7.340 1.00 5.25 H new ATOM 1005 N ASP A 67 61.141 7.405 9.732 1.00 3.32 N ATOM 1006 CA ASP A 67 60.106 7.244 10.795 1.00 3.69 C ATOM 1007 C ASP A 67 60.509 6.124 11.759 1.00 3.25 C ATOM 1008 O ASP A 67 59.703 5.631 12.524 1.00 3.49 O ATOM 1009 CB ASP A 67 58.823 6.875 10.051 1.00 3.68 C ATOM 1010 CG ASP A 67 59.129 5.807 8.998 1.00 3.08 C ATOM 1011 OD1 ASP A 67 59.804 4.849 9.334 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.682 5.968 7.874 1.00 3.83 O ATOM 0 H ASP A 67 61.630 6.550 9.469 1.00 3.32 H new ATOM 0 HA ASP A 67 59.983 8.148 11.391 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.077 6.504 10.754 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.400 7.759 9.574 1.00 3.68 H new ATOM 1017 N GLY A 68 61.749 5.719 11.730 1.00 2.98 N ATOM 1018 CA GLY A 68 62.201 4.632 12.645 1.00 3.17 C ATOM 1019 C GLY A 68 61.162 3.509 12.658 1.00 2.42 C ATOM 1020 O GLY A 68 60.595 3.189 13.683 1.00 3.05 O ATOM 0 H GLY A 68 62.469 6.094 11.112 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.166 4.245 12.318 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.340 5.025 13.652 1.00 3.17 H new ATOM 1024 N SER A 69 60.908 2.908 11.528 1.00 1.46 N ATOM 1025 CA SER A 69 59.903 1.808 11.478 1.00 1.52 C ATOM 1026 C SER A 69 60.551 0.514 10.974 1.00 1.64 C ATOM 1027 O SER A 69 59.879 -0.457 10.690 1.00 2.49 O ATOM 1028 CB SER A 69 58.836 2.289 10.496 1.00 2.44 C ATOM 1029 OG SER A 69 59.439 2.542 9.235 1.00 2.71 O ATOM 0 H SER A 69 61.353 3.131 10.637 1.00 1.46 H new ATOM 0 HA SER A 69 59.485 1.590 12.461 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.054 1.537 10.394 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.360 3.194 10.873 1.00 2.44 H new ATOM 0 HG SER A 69 59.842 3.435 9.239 1.00 2.71 H new ATOM 1035 N GLY A 70 61.852 0.492 10.858 1.00 1.28 N ATOM 1036 CA GLY A 70 62.533 -0.740 10.373 1.00 1.43 C ATOM 1037 C GLY A 70 61.988 -1.113 8.993 1.00 1.29 C ATOM 1038 O GLY A 70 61.650 -2.251 8.736 1.00 1.59 O ATOM 0 H GLY A 70 62.470 1.273 11.078 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.609 -0.576 10.319 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.370 -1.559 11.074 1.00 1.43 H new ATOM 1042 N THR A 71 61.900 -0.164 8.102 1.00 0.89 N ATOM 1043 CA THR A 71 61.377 -0.469 6.739 1.00 0.79 C ATOM 1044 C THR A 71 62.042 0.437 5.700 1.00 0.76 C ATOM 1045 O THR A 71 62.517 1.511 6.009 1.00 0.83 O ATOM 1046 CB THR A 71 59.875 -0.187 6.818 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.665 1.080 7.428 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.193 -1.275 7.648 1.00 1.08 C ATOM 0 H THR A 71 62.167 0.808 8.258 1.00 0.89 H new ATOM 0 HA THR A 71 61.583 -1.496 6.439 1.00 0.79 H new ATOM 0 HB THR A 71 59.452 -0.182 5.814 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.616 0.971 8.401 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.123 -1.073 7.704 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.355 -2.246 7.179 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.614 -1.283 8.654 1.00 1.08 H new ATOM 1056 N VAL A 72 62.078 0.009 4.467 1.00 0.73 N ATOM 1057 CA VAL A 72 62.710 0.842 3.404 1.00 0.77 C ATOM 1058 C VAL A 72 61.948 0.680 2.086 1.00 0.80 C ATOM 1059 O VAL A 72 61.841 -0.405 1.551 1.00 1.00 O ATOM 1060 CB VAL A 72 64.133 0.298 3.274 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.761 0.815 1.977 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.968 0.767 4.467 1.00 1.13 C ATOM 0 H VAL A 72 61.697 -0.882 4.150 1.00 0.73 H new ATOM 0 HA VAL A 72 62.700 1.905 3.647 1.00 0.77 H new ATOM 0 HB VAL A 72 64.105 -0.791 3.255 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.775 0.427 1.884 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.166 0.482 1.127 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.789 1.904 1.995 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.983 0.380 4.376 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.996 1.856 4.486 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.521 0.399 5.391 1.00 1.13 H new ATOM 1072 N ASP A 73 61.414 1.749 1.562 1.00 0.77 N ATOM 1073 CA ASP A 73 60.657 1.652 0.281 1.00 0.83 C ATOM 1074 C ASP A 73 61.511 2.159 -0.884 1.00 0.87 C ATOM 1075 O ASP A 73 62.723 2.183 -0.814 1.00 0.87 O ATOM 1076 CB ASP A 73 59.431 2.545 0.476 1.00 0.85 C ATOM 1077 CG ASP A 73 59.867 4.010 0.509 1.00 1.80 C ATOM 1078 OD1 ASP A 73 60.587 4.374 1.425 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.474 4.745 -0.383 1.00 2.57 O ATOM 0 H ASP A 73 61.469 2.685 1.965 1.00 0.77 H new ATOM 0 HA ASP A 73 60.380 0.625 0.045 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.719 2.385 -0.333 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.922 2.285 1.404 1.00 0.85 H new ATOM 1084 N PHE A 74 60.886 2.561 -1.957 1.00 0.94 N ATOM 1085 CA PHE A 74 61.659 3.063 -3.129 1.00 0.98 C ATOM 1086 C PHE A 74 62.545 4.244 -2.718 1.00 0.86 C ATOM 1087 O PHE A 74 63.518 4.559 -3.375 1.00 0.83 O ATOM 1088 CB PHE A 74 60.600 3.513 -4.136 1.00 1.12 C ATOM 1089 CG PHE A 74 61.270 4.219 -5.291 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.488 3.745 -5.790 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.671 5.348 -5.863 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.108 4.400 -6.860 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.291 6.003 -6.935 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.511 5.528 -7.433 1.00 3.18 C ATOM 0 H PHE A 74 59.873 2.564 -2.073 1.00 0.94 H new ATOM 0 HA PHE A 74 62.321 2.302 -3.543 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.039 2.652 -4.499 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.885 4.180 -3.654 1.00 1.12 H new ATOM 0 HD1 PHE A 74 62.950 2.874 -5.349 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.731 5.714 -5.478 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.049 4.034 -7.244 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.829 6.873 -7.377 1.00 3.01 H new ATOM 0 HZ PHE A 74 62.991 6.032 -8.259 1.00 3.18 H new ATOM 1104 N ASP A 75 62.218 4.899 -1.638 1.00 0.83 N ATOM 1105 CA ASP A 75 63.045 6.057 -1.191 1.00 0.76 C ATOM 1106 C ASP A 75 64.166 5.580 -0.263 1.00 0.69 C ATOM 1107 O ASP A 75 65.326 5.589 -0.622 1.00 0.65 O ATOM 1108 CB ASP A 75 62.075 6.969 -0.438 1.00 0.81 C ATOM 1109 CG ASP A 75 61.533 8.035 -1.391 1.00 0.99 C ATOM 1110 OD1 ASP A 75 60.626 7.723 -2.143 1.00 1.57 O ATOM 1111 OD2 ASP A 75 62.035 9.147 -1.352 1.00 1.49 O ATOM 0 H ASP A 75 61.416 4.684 -1.046 1.00 0.83 H new ATOM 0 HA ASP A 75 63.522 6.571 -2.026 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.254 6.383 -0.026 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.582 7.442 0.403 1.00 0.81 H new ATOM 1116 N GLU A 76 63.829 5.164 0.926 1.00 0.77 N ATOM 1117 CA GLU A 76 64.876 4.687 1.875 1.00 0.78 C ATOM 1118 C GLU A 76 65.831 3.722 1.169 1.00 0.70 C ATOM 1119 O GLU A 76 66.988 3.610 1.522 1.00 0.70 O ATOM 1120 CB GLU A 76 64.109 3.965 2.984 1.00 0.95 C ATOM 1121 CG GLU A 76 63.008 4.881 3.524 1.00 1.51 C ATOM 1122 CD GLU A 76 62.669 4.477 4.961 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.364 3.628 5.495 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.722 5.023 5.500 1.00 1.72 O ATOM 0 H GLU A 76 62.874 5.133 1.283 1.00 0.77 H new ATOM 0 HA GLU A 76 65.482 5.505 2.264 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.673 3.043 2.598 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.790 3.684 3.788 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.337 5.920 3.495 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.120 4.810 2.896 1.00 1.51 H new ATOM 1131 N PHE A 77 65.358 3.021 0.175 1.00 0.72 N ATOM 1132 CA PHE A 77 66.244 2.065 -0.548 1.00 0.73 C ATOM 1133 C PHE A 77 67.372 2.822 -1.253 1.00 0.67 C ATOM 1134 O PHE A 77 68.531 2.676 -0.921 1.00 0.69 O ATOM 1135 CB PHE A 77 65.337 1.376 -1.569 1.00 0.84 C ATOM 1136 CG PHE A 77 66.070 0.213 -2.192 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.847 -0.634 -1.393 1.00 1.32 C ATOM 1138 CD2 PHE A 77 65.972 -0.019 -3.570 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.527 -1.714 -1.972 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.651 -1.098 -4.147 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.429 -1.945 -3.349 1.00 1.46 C ATOM 0 H PHE A 77 64.398 3.069 -0.167 1.00 0.72 H new ATOM 0 HA PHE A 77 66.715 1.348 0.124 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.425 1.027 -1.084 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.036 2.085 -2.340 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.922 -0.455 -0.331 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.373 0.634 -4.187 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.126 -2.368 -1.356 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.575 -1.277 -5.209 1.00 2.03 H new ATOM 0 HZ PHE A 77 67.954 -2.777 -3.796 1.00 1.46 H new ATOM 1151 N LEU A 78 67.043 3.632 -2.221 1.00 0.66 N ATOM 1152 CA LEU A 78 68.101 4.398 -2.940 1.00 0.68 C ATOM 1153 C LEU A 78 68.955 5.176 -1.937 1.00 0.62 C ATOM 1154 O LEU A 78 70.095 5.505 -2.200 1.00 0.64 O ATOM 1155 CB LEU A 78 67.345 5.356 -3.863 1.00 0.77 C ATOM 1156 CG LEU A 78 66.442 4.560 -4.811 1.00 0.96 C ATOM 1157 CD1 LEU A 78 65.985 5.463 -5.958 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.217 3.370 -5.384 1.00 1.41 C ATOM 0 H LEU A 78 66.090 3.797 -2.545 1.00 0.66 H new ATOM 0 HA LEU A 78 68.776 3.749 -3.499 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.746 6.048 -3.272 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.051 5.956 -4.437 1.00 0.77 H new ATOM 0 HG LEU A 78 65.574 4.197 -4.260 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.343 4.897 -6.633 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.431 6.311 -5.555 1.00 1.55 H new ATOM 0 HD13 LEU A 78 66.856 5.825 -6.505 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.572 2.806 -6.058 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.086 3.732 -5.933 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.545 2.724 -4.570 1.00 1.41 H new ATOM 1170 N VAL A 79 68.413 5.471 -0.787 1.00 0.59 N ATOM 1171 CA VAL A 79 69.196 6.223 0.233 1.00 0.61 C ATOM 1172 C VAL A 79 70.061 5.254 1.043 1.00 0.63 C ATOM 1173 O VAL A 79 71.015 5.645 1.686 1.00 0.68 O ATOM 1174 CB VAL A 79 68.150 6.888 1.127 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.851 7.726 2.197 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.259 7.794 0.275 1.00 0.70 C ATOM 0 H VAL A 79 67.463 5.224 -0.510 1.00 0.59 H new ATOM 0 HA VAL A 79 69.868 6.955 -0.214 1.00 0.61 H new ATOM 0 HB VAL A 79 67.541 6.122 1.607 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.105 8.200 2.834 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.490 7.083 2.802 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.459 8.493 1.718 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.512 8.270 0.910 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.870 8.560 -0.203 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.760 7.199 -0.489 1.00 0.70 H new ATOM 1186 N MET A 80 69.734 3.991 1.013 1.00 0.65 N ATOM 1187 CA MET A 80 70.537 2.992 1.777 1.00 0.72 C ATOM 1188 C MET A 80 71.860 2.726 1.057 1.00 0.71 C ATOM 1189 O MET A 80 72.785 2.174 1.621 1.00 0.76 O ATOM 1190 CB MET A 80 69.676 1.729 1.806 1.00 0.80 C ATOM 1191 CG MET A 80 69.024 1.587 3.183 1.00 1.12 C ATOM 1192 SD MET A 80 70.208 0.855 4.339 1.00 2.17 S ATOM 1193 CE MET A 80 70.063 -0.854 3.760 1.00 2.77 C ATOM 0 H MET A 80 68.945 3.607 0.493 1.00 0.65 H new ATOM 0 HA MET A 80 70.783 3.336 2.781 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.910 1.781 1.033 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.288 0.854 1.590 1.00 0.80 H new ATOM 0 HG2 MET A 80 68.701 2.562 3.546 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.134 0.962 3.113 1.00 1.12 H new ATOM 0 HE1 MET A 80 70.020 -1.526 4.617 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.154 -0.962 3.168 1.00 2.77 H new ATOM 0 HE3 MET A 80 70.928 -1.105 3.146 1.00 2.77 H new ATOM 1203 N MET A 81 71.966 3.129 -0.179 1.00 0.69 N ATOM 1204 CA MET A 81 73.242 2.911 -0.924 1.00 0.74 C ATOM 1205 C MET A 81 74.036 4.216 -0.952 1.00 0.75 C ATOM 1206 O MET A 81 75.208 4.236 -1.274 1.00 0.82 O ATOM 1207 CB MET A 81 72.889 2.461 -2.361 1.00 0.73 C ATOM 1208 CG MET A 81 71.370 2.365 -2.587 1.00 0.89 C ATOM 1209 SD MET A 81 70.671 1.050 -1.552 1.00 1.41 S ATOM 1210 CE MET A 81 71.899 -0.225 -1.926 1.00 1.21 C ATOM 0 H MET A 81 71.229 3.598 -0.705 1.00 0.69 H new ATOM 0 HA MET A 81 73.849 2.146 -0.440 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.316 3.165 -3.075 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.345 1.491 -2.558 1.00 0.73 H new ATOM 0 HG2 MET A 81 70.897 3.318 -2.347 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.162 2.161 -3.638 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.396 -1.178 -2.088 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.449 0.052 -2.825 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.593 -0.318 -1.090 1.00 1.21 H new ATOM 1220 N VAL A 82 73.410 5.306 -0.600 1.00 0.72 N ATOM 1221 CA VAL A 82 74.130 6.609 -0.589 1.00 0.78 C ATOM 1222 C VAL A 82 75.079 6.652 0.610 1.00 0.81 C ATOM 1223 O VAL A 82 76.133 7.254 0.562 1.00 0.93 O ATOM 1224 CB VAL A 82 73.033 7.665 -0.447 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.667 9.027 -0.161 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.228 7.742 -1.746 1.00 1.36 C ATOM 0 H VAL A 82 72.430 5.349 -0.320 1.00 0.72 H new ATOM 0 HA VAL A 82 74.729 6.771 -1.485 1.00 0.78 H new ATOM 0 HB VAL A 82 72.372 7.392 0.376 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.884 9.779 -0.060 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.241 8.974 0.764 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.329 9.300 -0.983 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.446 8.495 -1.645 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.890 8.014 -2.568 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.774 6.772 -1.951 1.00 1.36 H new ATOM 1236 N ARG A 83 74.711 6.005 1.682 1.00 0.79 N ATOM 1237 CA ARG A 83 75.587 5.992 2.886 1.00 0.85 C ATOM 1238 C ARG A 83 76.595 4.846 2.777 1.00 0.90 C ATOM 1239 O ARG A 83 77.663 4.885 3.355 1.00 1.00 O ATOM 1240 CB ARG A 83 74.638 5.758 4.063 1.00 0.87 C ATOM 1241 CG ARG A 83 74.927 6.779 5.164 1.00 1.07 C ATOM 1242 CD ARG A 83 73.612 7.226 5.806 1.00 0.92 C ATOM 1243 NE ARG A 83 74.004 8.256 6.809 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.291 7.901 8.032 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.504 7.524 8.333 1.00 2.14 N ATOM 1246 NH2 ARG A 83 73.367 7.925 8.953 1.00 2.49 N ATOM 0 H ARG A 83 73.839 5.484 1.775 1.00 0.79 H new ATOM 0 HA ARG A 83 76.155 6.915 3.000 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.603 5.847 3.732 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.763 4.746 4.449 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.581 6.341 5.918 1.00 1.07 H new ATOM 0 HG3 ARG A 83 75.451 7.639 4.748 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.930 7.638 5.063 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.099 6.389 6.280 1.00 0.92 H new ATOM 0 HE ARG A 83 74.048 9.239 6.540 1.00 1.62 H new ATOM 0 HH11 ARG A 83 76.226 7.507 7.613 1.00 2.14 H new ATOM 0 HH12 ARG A 83 75.730 7.246 9.288 1.00 2.14 H new ATOM 0 HH21 ARG A 83 72.420 8.221 8.718 1.00 2.49 H new ATOM 0 HH22 ARG A 83 73.592 7.647 9.908 1.00 2.49 H new ATOM 1260 N SER A 84 76.261 3.826 2.033 1.00 0.92 N ATOM 1261 CA SER A 84 77.197 2.674 1.879 1.00 1.01 C ATOM 1262 C SER A 84 78.191 2.951 0.749 1.00 1.06 C ATOM 1263 O SER A 84 79.218 2.311 0.643 1.00 1.38 O ATOM 1264 CB SER A 84 76.303 1.485 1.526 1.00 1.04 C ATOM 1265 OG SER A 84 75.073 1.596 2.230 1.00 1.52 O ATOM 0 H SER A 84 75.381 3.740 1.525 1.00 0.92 H new ATOM 0 HA SER A 84 77.782 2.492 2.780 1.00 1.01 H new ATOM 0 HB2 SER A 84 76.119 1.460 0.452 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.801 0.551 1.786 1.00 1.04 H new ATOM 0 HG SER A 84 74.363 1.861 1.609 1.00 1.52 H new ATOM 1271 N MET A 85 77.895 3.899 -0.095 1.00 0.00 N ATOM 1272 CA MET A 85 78.823 4.218 -1.217 1.00 0.00 C ATOM 1273 C MET A 85 79.752 5.369 -0.824 1.00 0.00 C ATOM 1274 O MET A 85 80.429 5.945 -1.652 1.00 0.00 O ATOM 1275 CB MET A 85 77.914 4.632 -2.376 1.00 0.00 C ATOM 1276 CG MET A 85 77.340 3.382 -3.047 1.00 0.00 C ATOM 1277 SD MET A 85 77.812 3.366 -4.795 1.00 0.00 S ATOM 1278 CE MET A 85 76.145 3.186 -5.478 1.00 0.00 C ATOM 0 H MET A 85 77.049 4.468 -0.057 1.00 0.00 H new ATOM 0 HA MET A 85 79.460 3.373 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.106 5.265 -2.010 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.476 5.221 -3.101 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.712 2.486 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.254 3.371 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.199 3.154 -6.566 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.698 2.263 -5.109 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.532 4.033 -5.170 1.00 0.00 H new ATOM 1288 N LYS A 86 79.788 5.709 0.436 1.00 0.00 N ATOM 1289 CA LYS A 86 80.673 6.823 0.883 1.00 0.00 C ATOM 1290 C LYS A 86 80.987 6.683 2.375 1.00 0.00 C ATOM 1291 O LYS A 86 80.260 6.049 3.115 1.00 0.00 O ATOM 1292 CB LYS A 86 79.869 8.097 0.621 1.00 0.00 C ATOM 1293 CG LYS A 86 80.825 9.276 0.433 1.00 0.00 C ATOM 1294 CD LYS A 86 81.448 9.213 -0.963 1.00 0.00 C ATOM 1295 CE LYS A 86 82.925 9.610 -0.883 1.00 0.00 C ATOM 1296 NZ LYS A 86 83.604 8.777 -1.913 1.00 0.00 N ATOM 0 H LYS A 86 79.243 5.264 1.175 1.00 0.00 H new ATOM 0 HA LYS A 86 81.628 6.828 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 86 79.250 7.972 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 86 79.195 8.292 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.289 10.216 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.606 9.249 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 81.353 8.206 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 86 80.917 9.882 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 86 83.059 10.673 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 86 83.332 9.419 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 84.621 8.993 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 83.465 7.770 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 83.201 8.985 -2.849 1.00 0.00 H new ATOM 1310 N ASP A 87 82.064 7.270 2.822 1.00 0.00 N ATOM 1311 CA ASP A 87 82.425 7.170 4.267 1.00 0.00 C ATOM 1312 C ASP A 87 82.812 5.732 4.621 1.00 0.00 C ATOM 1313 O ASP A 87 83.028 5.402 5.770 1.00 0.00 O ATOM 1314 CB ASP A 87 81.161 7.586 5.022 1.00 0.00 C ATOM 1315 CG ASP A 87 81.545 8.448 6.226 1.00 0.00 C ATOM 1316 OD1 ASP A 87 82.280 9.403 6.036 1.00 0.00 O ATOM 1317 OD2 ASP A 87 81.097 8.138 7.318 1.00 0.00 O ATOM 0 H ASP A 87 82.710 7.814 2.250 1.00 0.00 H new ATOM 0 HA ASP A 87 83.278 7.799 4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 87 80.496 8.142 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 87 80.615 6.702 5.353 1.00 0.00 H new ATOM 1322 N ASP A 88 82.904 4.874 3.642 1.00 0.00 N ATOM 1323 CA ASP A 88 83.279 3.456 3.922 1.00 0.00 C ATOM 1324 C ASP A 88 83.190 2.624 2.641 1.00 0.00 C ATOM 1325 O ASP A 88 82.257 1.872 2.441 1.00 0.00 O ATOM 1326 CB ASP A 88 82.258 2.967 4.952 1.00 0.00 C ATOM 1327 CG ASP A 88 80.857 3.424 4.542 1.00 0.00 C ATOM 1328 OD1 ASP A 88 80.403 3.008 3.489 1.00 0.00 O ATOM 1329 OD2 ASP A 88 80.260 4.183 5.289 1.00 0.00 O ATOM 0 H ASP A 88 82.736 5.092 2.660 1.00 0.00 H new ATOM 0 HA ASP A 88 84.301 3.366 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 88 82.291 1.880 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 88 82.505 3.359 5.939 1.00 0.00 H new ATOM 1334 N SER A 89 84.154 2.752 1.771 1.00 0.00 N ATOM 1335 CA SER A 89 84.125 1.968 0.504 1.00 0.00 C ATOM 1336 C SER A 89 85.396 1.123 0.376 1.00 0.00 C ATOM 1337 O SER A 89 85.485 0.361 -0.572 1.00 0.00 O ATOM 1338 CB SER A 89 84.062 3.014 -0.608 1.00 0.00 C ATOM 1339 OG SER A 89 83.606 4.247 -0.067 1.00 0.00 O ATOM 1340 OXT SER A 89 86.258 1.256 1.229 1.00 0.00 O ATOM 0 H SER A 89 84.961 3.366 1.883 1.00 0.00 H new ATOM 0 HA SER A 89 83.281 1.280 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 89 85.046 3.143 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 89 83.391 2.680 -1.399 1.00 0.00 H new ATOM 0 HG SER A 89 83.566 4.921 -0.777 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.322 3.496 7.408 1.00 1.15 CA