USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 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 69 SER OG : rot -82:sc= 1.22 USER MOD Set 1.2: A 71 THR OG1 : rot -150:sc= -0.674 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 16 GLN : amide:sc= -3.08 K(o=-3.1,f=-7.4!) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= 0.138 (180deg=-0.0832) USER MOD Single : A 18 ASN : amide:sc= -0.0447 X(o=-0.045,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -3:sc= 0.0439 USER MOD Single : A 37 SER OG : rot 48:sc= 0.0633 USER MOD Single : A 38 THR OG1 : rot -149:sc= -0.417 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0104) USER MOD Single : A 45 MET CE :methyl 170:sc= -2.16! (180deg=-2.24) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.6 X(o=-2.6,f=-2.9) USER MOD Single : A 51 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.74) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 58 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 160:sc= -2.34! (180deg=-3.54!) USER MOD Single : A 81 MET CE :methyl 132:sc= -1.73 (180deg=-3.11!) USER MOD Single : A 84 CYS SG : rot -35:sc= 0.00648 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.952 -4.801 -5.917 1.00 10.23 N ATOM 62 CA TYR A 5 5.911 -4.518 -6.898 1.00 3.31 C ATOM 63 C TYR A 5 6.240 -3.257 -7.692 1.00 61.55 C ATOM 64 O TYR A 5 6.097 -3.224 -8.915 1.00 23.50 O ATOM 65 CB TYR A 5 4.557 -4.358 -6.205 1.00 22.14 C ATOM 66 CG TYR A 5 4.036 -5.638 -5.592 1.00 71.40 C ATOM 67 CD1 TYR A 5 4.157 -6.851 -6.260 1.00 55.45 C ATOM 68 CD2 TYR A 5 3.422 -5.636 -4.346 1.00 20.03 C ATOM 69 CE1 TYR A 5 3.681 -8.023 -5.705 1.00 42.12 C ATOM 70 CE2 TYR A 5 2.945 -6.804 -3.782 1.00 41.41 C ATOM 71 CZ TYR A 5 3.077 -7.994 -4.466 1.00 32.33 C ATOM 72 OH TYR A 5 2.602 -9.159 -3.908 1.00 73.33 O ATOM 0 HA TYR A 5 5.861 -5.359 -7.589 1.00 3.31 H new ATOM 0 HB2 TYR A 5 4.644 -3.601 -5.426 1.00 22.14 H new ATOM 0 HB3 TYR A 5 3.830 -3.989 -6.928 1.00 22.14 H new ATOM 0 HD1 TYR A 5 4.631 -6.878 -7.230 1.00 55.45 H new ATOM 0 HD2 TYR A 5 3.316 -4.705 -3.809 1.00 20.03 H new ATOM 0 HE1 TYR A 5 3.781 -8.957 -6.239 1.00 42.12 H new ATOM 0 HE2 TYR A 5 2.472 -6.785 -2.811 1.00 41.41 H new ATOM 0 HH TYR A 5 2.206 -8.965 -3.033 1.00 73.33 H new ATOM 82 N LYS A 6 6.682 -2.221 -6.989 1.00 2.13 N ATOM 83 CA LYS A 6 7.034 -0.957 -7.626 1.00 21.35 C ATOM 84 C LYS A 6 8.258 -1.121 -8.520 1.00 64.55 C ATOM 85 O LYS A 6 8.369 -0.475 -9.562 1.00 34.21 O ATOM 86 CB LYS A 6 7.304 0.114 -6.566 1.00 74.31 C ATOM 87 CG LYS A 6 8.656 -0.027 -5.889 1.00 42.14 C ATOM 88 CD LYS A 6 9.724 0.784 -6.604 1.00 1.43 C ATOM 89 CE LYS A 6 10.828 1.216 -5.650 1.00 34.42 C ATOM 90 NZ LYS A 6 10.509 2.507 -4.981 1.00 1.32 N ATOM 0 H LYS A 6 6.805 -2.231 -5.977 1.00 2.13 H new ATOM 0 HA LYS A 6 6.193 -0.644 -8.245 1.00 21.35 H new ATOM 0 HB2 LYS A 6 7.241 1.098 -7.031 1.00 74.31 H new ATOM 0 HB3 LYS A 6 6.521 0.069 -5.809 1.00 74.31 H new ATOM 0 HG2 LYS A 6 8.581 0.302 -4.852 1.00 42.14 H new ATOM 0 HG3 LYS A 6 8.947 -1.077 -5.870 1.00 42.14 H new ATOM 0 HD2 LYS A 6 10.152 0.191 -7.413 1.00 1.43 H new ATOM 0 HD3 LYS A 6 9.270 1.664 -7.059 1.00 1.43 H new ATOM 0 HE2 LYS A 6 10.979 0.444 -4.896 1.00 34.42 H new ATOM 0 HE3 LYS A 6 11.765 1.313 -6.199 1.00 34.42 H new ATOM 0 HZ1 LYS A 6 11.285 2.767 -4.340 1.00 1.32 H new ATOM 0 HZ2 LYS A 6 10.390 3.250 -5.699 1.00 1.32 H new ATOM 0 HZ3 LYS A 6 9.629 2.408 -4.436 1.00 1.32 H new ATOM 104 N ALA A 7 9.175 -1.991 -8.108 1.00 71.11 N ATOM 105 CA ALA A 7 10.389 -2.242 -8.875 1.00 30.44 C ATOM 106 C ALA A 7 10.076 -2.976 -10.174 1.00 72.40 C ATOM 107 O ALA A 7 10.760 -2.796 -11.181 1.00 3.55 O ATOM 108 CB ALA A 7 11.383 -3.039 -8.043 1.00 31.25 C ATOM 0 H ALA A 7 9.100 -2.534 -7.248 1.00 71.11 H new ATOM 0 HA ALA A 7 10.833 -1.280 -9.130 1.00 30.44 H new ATOM 0 HB1 ALA A 7 12.285 -3.219 -8.628 1.00 31.25 H new ATOM 0 HB2 ALA A 7 11.639 -2.477 -7.145 1.00 31.25 H new ATOM 0 HB3 ALA A 7 10.938 -3.993 -7.759 1.00 31.25 H new ATOM 114 N ALA A 8 9.038 -3.806 -10.144 1.00 55.54 N ATOM 115 CA ALA A 8 8.633 -4.566 -11.321 1.00 4.24 C ATOM 116 C ALA A 8 8.003 -3.658 -12.371 1.00 43.13 C ATOM 117 O ALA A 8 8.290 -3.778 -13.562 1.00 43.35 O ATOM 118 CB ALA A 8 7.665 -5.672 -10.927 1.00 45.20 C ATOM 0 H ALA A 8 8.462 -3.969 -9.318 1.00 55.54 H new ATOM 0 HA ALA A 8 9.525 -5.017 -11.757 1.00 4.24 H new ATOM 0 HB1 ALA A 8 7.371 -6.231 -11.815 1.00 45.20 H new ATOM 0 HB2 ALA A 8 8.149 -6.344 -10.219 1.00 45.20 H new ATOM 0 HB3 ALA A 8 6.781 -5.234 -10.465 1.00 45.20 H new ATOM 124 N VAL A 9 7.142 -2.750 -11.923 1.00 2.03 N ATOM 125 CA VAL A 9 6.472 -1.821 -12.825 1.00 35.25 C ATOM 126 C VAL A 9 7.445 -0.780 -13.365 1.00 2.13 C ATOM 127 O VAL A 9 7.284 -0.285 -14.480 1.00 21.41 O ATOM 128 CB VAL A 9 5.304 -1.102 -12.123 1.00 5.52 C ATOM 129 CG1 VAL A 9 4.151 -2.063 -11.882 1.00 71.43 C ATOM 130 CG2 VAL A 9 5.772 -0.479 -10.816 1.00 33.13 C ATOM 0 H VAL A 9 6.892 -2.638 -10.940 1.00 2.03 H new ATOM 0 HA VAL A 9 6.081 -2.411 -13.654 1.00 35.25 H new ATOM 0 HB VAL A 9 4.948 -0.303 -12.774 1.00 5.52 H new ATOM 0 HG11 VAL A 9 3.336 -1.536 -11.385 1.00 71.43 H new ATOM 0 HG12 VAL A 9 3.800 -2.457 -12.836 1.00 71.43 H new ATOM 0 HG13 VAL A 9 4.489 -2.886 -11.252 1.00 71.43 H new ATOM 0 HG21 VAL A 9 4.935 0.025 -10.333 1.00 33.13 H new ATOM 0 HG22 VAL A 9 6.155 -1.259 -10.158 1.00 33.13 H new ATOM 0 HG23 VAL A 9 6.562 0.244 -11.020 1.00 33.13 H new ATOM 140 N GLU A 10 8.456 -0.452 -12.566 1.00 30.11 N ATOM 141 CA GLU A 10 9.456 0.531 -12.965 1.00 10.44 C ATOM 142 C GLU A 10 10.383 -0.038 -14.034 1.00 62.43 C ATOM 143 O GLU A 10 10.934 0.701 -14.850 1.00 31.33 O ATOM 144 CB GLU A 10 10.274 0.981 -11.752 1.00 32.41 C ATOM 145 CG GLU A 10 9.684 2.181 -11.031 1.00 43.42 C ATOM 146 CD GLU A 10 10.746 3.148 -10.544 1.00 51.42 C ATOM 147 OE1 GLU A 10 11.870 2.693 -10.247 1.00 45.51 O ATOM 148 OE2 GLU A 10 10.453 4.359 -10.460 1.00 14.21 O ATOM 0 H GLU A 10 8.604 -0.852 -11.640 1.00 30.11 H new ATOM 0 HA GLU A 10 8.934 1.392 -13.382 1.00 10.44 H new ATOM 0 HB2 GLU A 10 10.355 0.150 -11.051 1.00 32.41 H new ATOM 0 HB3 GLU A 10 11.286 1.224 -12.077 1.00 32.41 H new ATOM 0 HG2 GLU A 10 9.002 2.704 -11.701 1.00 43.42 H new ATOM 0 HG3 GLU A 10 9.095 1.836 -10.181 1.00 43.42 H new ATOM 155 N GLN A 11 10.550 -1.357 -14.023 1.00 2.11 N ATOM 156 CA GLN A 11 11.411 -2.026 -14.991 1.00 5.30 C ATOM 157 C GLN A 11 10.623 -2.431 -16.232 1.00 43.01 C ATOM 158 O GLN A 11 11.161 -3.061 -17.144 1.00 20.55 O ATOM 159 CB GLN A 11 12.062 -3.258 -14.360 1.00 61.25 C ATOM 160 CG GLN A 11 11.066 -4.333 -13.957 1.00 14.11 C ATOM 161 CD GLN A 11 11.737 -5.636 -13.572 1.00 71.41 C ATOM 162 OE1 GLN A 11 12.619 -5.664 -12.713 1.00 34.01 O ATOM 163 NE2 GLN A 11 11.322 -6.726 -14.207 1.00 64.34 N ATOM 0 H GLN A 11 10.101 -1.983 -13.355 1.00 2.11 H new ATOM 0 HA GLN A 11 12.191 -1.326 -15.291 1.00 5.30 H new ATOM 0 HB2 GLN A 11 12.777 -3.682 -15.065 1.00 61.25 H new ATOM 0 HB3 GLN A 11 12.627 -2.950 -13.480 1.00 61.25 H new ATOM 0 HG2 GLN A 11 10.470 -3.974 -13.118 1.00 14.11 H new ATOM 0 HG3 GLN A 11 10.378 -4.513 -14.783 1.00 14.11 H new ATOM 0 HE21 GLN A 11 10.588 -6.657 -14.912 1.00 64.34 H new ATOM 0 HE22 GLN A 11 11.737 -7.632 -13.990 1.00 64.34 H new ATOM 172 N LEU A 12 9.346 -2.066 -16.261 1.00 44.33 N ATOM 173 CA LEU A 12 8.483 -2.391 -17.391 1.00 61.52 C ATOM 174 C LEU A 12 8.898 -1.613 -18.636 1.00 31.04 C ATOM 175 O LEU A 12 9.843 -0.824 -18.602 1.00 12.21 O ATOM 176 CB LEU A 12 7.024 -2.087 -17.048 1.00 11.31 C ATOM 177 CG LEU A 12 6.308 -3.122 -16.180 1.00 23.04 C ATOM 178 CD1 LEU A 12 4.881 -2.682 -15.891 1.00 24.11 C ATOM 179 CD2 LEU A 12 6.322 -4.485 -16.855 1.00 74.53 C ATOM 0 H LEU A 12 8.885 -1.545 -15.515 1.00 44.33 H new ATOM 0 HA LEU A 12 8.586 -3.456 -17.600 1.00 61.52 H new ATOM 0 HB2 LEU A 12 6.985 -1.125 -16.537 1.00 11.31 H new ATOM 0 HB3 LEU A 12 6.468 -1.977 -17.979 1.00 11.31 H new ATOM 0 HG LEU A 12 6.840 -3.203 -15.232 1.00 23.04 H new ATOM 0 HD11 LEU A 12 4.387 -3.431 -15.272 1.00 24.11 H new ATOM 0 HD12 LEU A 12 4.894 -1.728 -15.364 1.00 24.11 H new ATOM 0 HD13 LEU A 12 4.337 -2.571 -16.829 1.00 24.11 H new ATOM 0 HD21 LEU A 12 5.808 -5.209 -16.223 1.00 74.53 H new ATOM 0 HD22 LEU A 12 5.815 -4.419 -17.818 1.00 74.53 H new ATOM 0 HD23 LEU A 12 7.353 -4.804 -17.009 1.00 74.53 H new ATOM 191 N THR A 13 8.184 -1.839 -19.734 1.00 53.41 N ATOM 192 CA THR A 13 8.476 -1.158 -20.989 1.00 64.22 C ATOM 193 C THR A 13 7.481 -0.034 -21.250 1.00 53.22 C ATOM 194 O THR A 13 6.387 -0.019 -20.687 1.00 0.53 O ATOM 195 CB THR A 13 8.451 -2.137 -22.178 1.00 63.21 C ATOM 196 OG1 THR A 13 8.406 -1.410 -23.411 1.00 10.22 O ATOM 197 CG2 THR A 13 7.251 -3.067 -22.088 1.00 31.31 C ATOM 0 H THR A 13 7.399 -2.489 -19.779 1.00 53.41 H new ATOM 0 HA THR A 13 9.477 -0.738 -20.895 1.00 64.22 H new ATOM 0 HB THR A 13 9.360 -2.738 -22.144 1.00 63.21 H new ATOM 0 HG1 THR A 13 8.392 -2.040 -24.162 1.00 10.22 H new ATOM 0 HG21 THR A 13 7.255 -3.749 -22.938 1.00 31.31 H new ATOM 0 HG22 THR A 13 7.304 -3.640 -21.163 1.00 31.31 H new ATOM 0 HG23 THR A 13 6.333 -2.479 -22.099 1.00 31.31 H new ATOM 205 N GLU A 14 7.867 0.905 -22.108 1.00 51.24 N ATOM 206 CA GLU A 14 7.006 2.034 -22.443 1.00 63.31 C ATOM 207 C GLU A 14 5.648 1.552 -22.944 1.00 51.14 C ATOM 208 O GLU A 14 4.617 2.158 -22.652 1.00 63.43 O ATOM 209 CB GLU A 14 7.671 2.913 -23.504 1.00 0.50 C ATOM 210 CG GLU A 14 8.890 3.664 -22.995 1.00 42.34 C ATOM 211 CD GLU A 14 9.215 4.886 -23.833 1.00 74.22 C ATOM 212 OE1 GLU A 14 9.018 4.830 -25.065 1.00 42.31 O ATOM 213 OE2 GLU A 14 9.665 5.898 -23.256 1.00 72.20 O ATOM 0 H GLU A 14 8.769 0.907 -22.584 1.00 51.24 H new ATOM 0 HA GLU A 14 6.852 2.622 -21.538 1.00 63.31 H new ATOM 0 HB2 GLU A 14 7.965 2.289 -24.348 1.00 0.50 H new ATOM 0 HB3 GLU A 14 6.942 3.632 -23.878 1.00 0.50 H new ATOM 0 HG2 GLU A 14 8.718 3.971 -21.963 1.00 42.34 H new ATOM 0 HG3 GLU A 14 9.749 2.993 -22.989 1.00 42.34 H new ATOM 220 N GLU A 15 5.656 0.459 -23.701 1.00 43.11 N ATOM 221 CA GLU A 15 4.425 -0.103 -24.244 1.00 42.32 C ATOM 222 C GLU A 15 3.517 -0.605 -23.126 1.00 34.13 C ATOM 223 O GLU A 15 2.292 -0.558 -23.239 1.00 62.14 O ATOM 224 CB GLU A 15 4.743 -1.246 -25.210 1.00 52.13 C ATOM 225 CG GLU A 15 4.739 -2.616 -24.554 1.00 22.30 C ATOM 226 CD GLU A 15 5.401 -3.676 -25.413 1.00 24.23 C ATOM 227 OE1 GLU A 15 6.119 -3.306 -26.365 1.00 51.12 O ATOM 228 OE2 GLU A 15 5.202 -4.877 -25.131 1.00 51.44 O ATOM 0 H GLU A 15 6.501 -0.054 -23.952 1.00 43.11 H new ATOM 0 HA GLU A 15 3.903 0.686 -24.785 1.00 42.32 H new ATOM 0 HB2 GLU A 15 4.014 -1.239 -26.021 1.00 52.13 H new ATOM 0 HB3 GLU A 15 5.721 -1.070 -25.658 1.00 52.13 H new ATOM 0 HG2 GLU A 15 5.254 -2.557 -23.595 1.00 22.30 H new ATOM 0 HG3 GLU A 15 3.711 -2.912 -24.346 1.00 22.30 H new ATOM 235 N GLN A 16 4.126 -1.086 -22.047 1.00 4.41 N ATOM 236 CA GLN A 16 3.373 -1.598 -20.909 1.00 13.24 C ATOM 237 C GLN A 16 2.548 -0.491 -20.259 1.00 63.31 C ATOM 238 O GLN A 16 1.344 -0.640 -20.051 1.00 70.00 O ATOM 239 CB GLN A 16 4.320 -2.215 -19.879 1.00 24.42 C ATOM 240 CG GLN A 16 4.224 -3.730 -19.795 1.00 20.12 C ATOM 241 CD GLN A 16 4.629 -4.413 -21.086 1.00 72.22 C ATOM 242 OE1 GLN A 16 4.107 -4.101 -22.157 1.00 32.40 O ATOM 243 NE2 GLN A 16 5.564 -5.351 -20.992 1.00 61.12 N ATOM 0 H GLN A 16 5.139 -1.132 -21.937 1.00 4.41 H new ATOM 0 HA GLN A 16 2.693 -2.368 -21.273 1.00 13.24 H new ATOM 0 HB2 GLN A 16 5.344 -1.937 -20.127 1.00 24.42 H new ATOM 0 HB3 GLN A 16 4.104 -1.791 -18.899 1.00 24.42 H new ATOM 0 HG2 GLN A 16 4.860 -4.086 -18.985 1.00 20.12 H new ATOM 0 HG3 GLN A 16 3.201 -4.012 -19.545 1.00 20.12 H new ATOM 0 HE21 GLN A 16 5.970 -5.578 -20.084 1.00 61.12 H new ATOM 0 HE22 GLN A 16 5.877 -5.845 -21.828 1.00 61.12 H new ATOM 252 N LYS A 17 3.205 0.619 -19.940 1.00 53.13 N ATOM 253 CA LYS A 17 2.533 1.752 -19.315 1.00 5.41 C ATOM 254 C LYS A 17 1.351 2.218 -20.159 1.00 44.20 C ATOM 255 O LYS A 17 0.292 2.551 -19.630 1.00 31.12 O ATOM 256 CB LYS A 17 3.517 2.907 -19.115 1.00 4.31 C ATOM 257 CG LYS A 17 4.089 2.983 -17.710 1.00 21.13 C ATOM 258 CD LYS A 17 5.156 1.924 -17.484 1.00 14.41 C ATOM 259 CE LYS A 17 4.591 0.708 -16.766 1.00 54.12 C ATOM 260 NZ LYS A 17 4.447 0.945 -15.303 1.00 74.31 N ATOM 0 H LYS A 17 4.202 0.758 -20.104 1.00 53.13 H new ATOM 0 HA LYS A 17 2.158 1.429 -18.344 1.00 5.41 H new ATOM 0 HB2 LYS A 17 4.336 2.803 -19.826 1.00 4.31 H new ATOM 0 HB3 LYS A 17 3.013 3.846 -19.344 1.00 4.31 H new ATOM 0 HG2 LYS A 17 4.516 3.972 -17.543 1.00 21.13 H new ATOM 0 HG3 LYS A 17 3.288 2.854 -16.982 1.00 21.13 H new ATOM 0 HD2 LYS A 17 5.576 1.619 -18.442 1.00 14.41 H new ATOM 0 HD3 LYS A 17 5.972 2.347 -16.898 1.00 14.41 H new ATOM 0 HE2 LYS A 17 3.619 0.455 -17.190 1.00 54.12 H new ATOM 0 HE3 LYS A 17 5.245 -0.148 -16.933 1.00 54.12 H new ATOM 0 HZ1 LYS A 17 3.611 0.437 -14.950 1.00 74.31 H new ATOM 0 HZ2 LYS A 17 5.296 0.601 -14.810 1.00 74.31 H new ATOM 0 HZ3 LYS A 17 4.333 1.963 -15.126 1.00 74.31 H new ATOM 274 N ASN A 18 1.541 2.238 -21.474 1.00 73.34 N ATOM 275 CA ASN A 18 0.489 2.662 -22.392 1.00 21.13 C ATOM 276 C ASN A 18 -0.749 1.782 -22.244 1.00 43.23 C ATOM 277 O ASN A 18 -1.859 2.282 -22.064 1.00 24.33 O ATOM 278 CB ASN A 18 0.993 2.614 -23.835 1.00 43.54 C ATOM 279 CG ASN A 18 1.292 3.994 -24.389 1.00 51.32 C ATOM 280 OD1 ASN A 18 0.489 4.917 -24.253 1.00 12.35 O ATOM 281 ND2 ASN A 18 2.452 4.141 -25.019 1.00 30.33 N ATOM 0 H ASN A 18 2.413 1.966 -21.928 1.00 73.34 H new ATOM 0 HA ASN A 18 0.216 3.688 -22.144 1.00 21.13 H new ATOM 0 HB2 ASN A 18 1.895 2.003 -23.882 1.00 43.54 H new ATOM 0 HB3 ASN A 18 0.246 2.128 -24.462 1.00 43.54 H new ATOM 0 HD21 ASN A 18 2.707 5.046 -25.413 1.00 30.33 H new ATOM 0 HD22 ASN A 18 3.088 3.348 -25.109 1.00 30.33 H new ATOM 288 N GLU A 19 -0.548 0.470 -22.322 1.00 54.32 N ATOM 289 CA GLU A 19 -1.649 -0.478 -22.198 1.00 22.43 C ATOM 290 C GLU A 19 -2.222 -0.465 -20.783 1.00 45.34 C ATOM 291 O GLU A 19 -3.422 -0.652 -20.586 1.00 33.20 O ATOM 292 CB GLU A 19 -1.178 -1.890 -22.555 1.00 43.44 C ATOM 293 CG GLU A 19 -0.884 -2.077 -24.034 1.00 44.43 C ATOM 294 CD GLU A 19 -2.138 -2.315 -24.853 1.00 4.50 C ATOM 295 OE1 GLU A 19 -2.956 -3.168 -24.450 1.00 3.35 O ATOM 296 OE2 GLU A 19 -2.301 -1.649 -25.896 1.00 40.54 O ATOM 0 H GLU A 19 0.365 0.040 -22.470 1.00 54.32 H new ATOM 0 HA GLU A 19 -2.433 -0.177 -22.892 1.00 22.43 H new ATOM 0 HB2 GLU A 19 -0.279 -2.120 -21.983 1.00 43.44 H new ATOM 0 HB3 GLU A 19 -1.941 -2.606 -22.251 1.00 43.44 H new ATOM 0 HG2 GLU A 19 -0.369 -1.194 -24.413 1.00 44.43 H new ATOM 0 HG3 GLU A 19 -0.206 -2.921 -24.162 1.00 44.43 H new ATOM 303 N PHE A 20 -1.354 -0.242 -19.802 1.00 64.10 N ATOM 304 CA PHE A 20 -1.772 -0.205 -18.405 1.00 65.44 C ATOM 305 C PHE A 20 -2.680 0.991 -18.141 1.00 14.40 C ATOM 306 O PHE A 20 -3.583 0.928 -17.306 1.00 10.00 O ATOM 307 CB PHE A 20 -0.549 -0.145 -17.487 1.00 14.13 C ATOM 308 CG PHE A 20 0.046 -1.492 -17.192 1.00 10.14 C ATOM 309 CD1 PHE A 20 0.072 -2.480 -18.162 1.00 71.24 C ATOM 310 CD2 PHE A 20 0.580 -1.770 -15.944 1.00 2.42 C ATOM 311 CE1 PHE A 20 0.619 -3.721 -17.893 1.00 55.31 C ATOM 312 CE2 PHE A 20 1.129 -3.008 -15.669 1.00 34.22 C ATOM 313 CZ PHE A 20 1.149 -3.985 -16.645 1.00 54.43 C ATOM 0 H PHE A 20 -0.357 -0.084 -19.948 1.00 64.10 H new ATOM 0 HA PHE A 20 -2.332 -1.116 -18.194 1.00 65.44 H new ATOM 0 HB2 PHE A 20 0.211 0.486 -17.948 1.00 14.13 H new ATOM 0 HB3 PHE A 20 -0.832 0.332 -16.549 1.00 14.13 H new ATOM 0 HD1 PHE A 20 -0.340 -2.279 -19.140 1.00 71.24 H new ATOM 0 HD2 PHE A 20 0.567 -1.010 -15.177 1.00 2.42 H new ATOM 0 HE1 PHE A 20 0.632 -4.483 -18.658 1.00 55.31 H new ATOM 0 HE2 PHE A 20 1.542 -3.211 -14.692 1.00 34.22 H new ATOM 0 HZ PHE A 20 1.578 -4.953 -16.433 1.00 54.43 H new ATOM 323 N LYS A 21 -2.435 2.083 -18.858 1.00 72.31 N ATOM 324 CA LYS A 21 -3.230 3.295 -18.703 1.00 52.15 C ATOM 325 C LYS A 21 -4.534 3.195 -19.488 1.00 71.45 C ATOM 326 O LYS A 21 -5.595 3.580 -18.999 1.00 35.41 O ATOM 327 CB LYS A 21 -2.434 4.515 -19.171 1.00 44.24 C ATOM 328 CG LYS A 21 -3.004 5.837 -18.686 1.00 70.43 C ATOM 329 CD LYS A 21 -2.142 7.010 -19.121 1.00 65.53 C ATOM 330 CE LYS A 21 -2.452 8.260 -18.312 1.00 65.42 C ATOM 331 NZ LYS A 21 -1.639 9.425 -18.758 1.00 65.22 N ATOM 0 H LYS A 21 -1.691 2.153 -19.553 1.00 72.31 H new ATOM 0 HA LYS A 21 -3.470 3.409 -17.646 1.00 52.15 H new ATOM 0 HB2 LYS A 21 -1.405 4.423 -18.822 1.00 44.24 H new ATOM 0 HB3 LYS A 21 -2.402 4.521 -20.261 1.00 44.24 H new ATOM 0 HG2 LYS A 21 -4.014 5.963 -19.075 1.00 70.43 H new ATOM 0 HG3 LYS A 21 -3.080 5.824 -17.599 1.00 70.43 H new ATOM 0 HD2 LYS A 21 -1.089 6.752 -19.005 1.00 65.53 H new ATOM 0 HD3 LYS A 21 -2.306 7.211 -20.180 1.00 65.53 H new ATOM 0 HE2 LYS A 21 -3.511 8.499 -18.405 1.00 65.42 H new ATOM 0 HE3 LYS A 21 -2.261 8.066 -17.257 1.00 65.42 H new ATOM 0 HZ1 LYS A 21 -1.880 10.257 -18.182 1.00 65.22 H new ATOM 0 HZ2 LYS A 21 -0.628 9.207 -18.645 1.00 65.22 H new ATOM 0 HZ3 LYS A 21 -1.840 9.626 -19.758 1.00 65.22 H new ATOM 345 N ALA A 22 -4.447 2.673 -20.708 1.00 3.51 N ATOM 346 CA ALA A 22 -5.620 2.519 -21.559 1.00 12.43 C ATOM 347 C ALA A 22 -6.555 1.445 -21.015 1.00 34.32 C ATOM 348 O ALA A 22 -7.765 1.652 -20.918 1.00 64.34 O ATOM 349 CB ALA A 22 -5.200 2.185 -22.982 1.00 62.32 C ATOM 0 H ALA A 22 -3.576 2.350 -21.129 1.00 3.51 H new ATOM 0 HA ALA A 22 -6.161 3.465 -21.565 1.00 12.43 H new ATOM 0 HB1 ALA A 22 -6.087 2.073 -23.606 1.00 62.32 H new ATOM 0 HB2 ALA A 22 -4.578 2.989 -23.376 1.00 62.32 H new ATOM 0 HB3 ALA A 22 -4.634 1.254 -22.985 1.00 62.32 H new ATOM 355 N ALA A 23 -5.987 0.296 -20.661 1.00 54.32 N ATOM 356 CA ALA A 23 -6.771 -0.810 -20.126 1.00 24.32 C ATOM 357 C ALA A 23 -7.615 -0.361 -18.938 1.00 23.21 C ATOM 358 O ALA A 23 -8.823 -0.594 -18.899 1.00 11.02 O ATOM 359 CB ALA A 23 -5.856 -1.957 -19.722 1.00 71.43 C ATOM 0 H ALA A 23 -4.987 0.108 -20.735 1.00 54.32 H new ATOM 0 HA ALA A 23 -7.447 -1.156 -20.908 1.00 24.32 H new ATOM 0 HB1 ALA A 23 -6.454 -2.777 -19.324 1.00 71.43 H new ATOM 0 HB2 ALA A 23 -5.300 -2.303 -20.593 1.00 71.43 H new ATOM 0 HB3 ALA A 23 -5.157 -1.614 -18.959 1.00 71.43 H new ATOM 365 N PHE A 24 -6.971 0.283 -17.970 1.00 42.03 N ATOM 366 CA PHE A 24 -7.663 0.763 -16.780 1.00 4.32 C ATOM 367 C PHE A 24 -8.870 1.616 -17.159 1.00 61.21 C ATOM 368 O PHE A 24 -9.852 1.683 -16.420 1.00 55.34 O ATOM 369 CB PHE A 24 -6.707 1.574 -15.901 1.00 75.12 C ATOM 370 CG PHE A 24 -7.396 2.309 -14.787 1.00 21.54 C ATOM 371 CD1 PHE A 24 -7.658 1.677 -13.581 1.00 54.44 C ATOM 372 CD2 PHE A 24 -7.781 3.630 -14.944 1.00 51.23 C ATOM 373 CE1 PHE A 24 -8.291 2.351 -12.553 1.00 74.45 C ATOM 374 CE2 PHE A 24 -8.414 4.309 -13.920 1.00 20.51 C ATOM 375 CZ PHE A 24 -8.671 3.668 -12.724 1.00 24.35 C ATOM 0 H PHE A 24 -5.971 0.484 -17.987 1.00 42.03 H new ATOM 0 HA PHE A 24 -8.014 -0.104 -16.220 1.00 4.32 H new ATOM 0 HB2 PHE A 24 -5.960 0.904 -15.476 1.00 75.12 H new ATOM 0 HB3 PHE A 24 -6.174 2.292 -16.524 1.00 75.12 H new ATOM 0 HD1 PHE A 24 -7.364 0.647 -13.443 1.00 54.44 H new ATOM 0 HD2 PHE A 24 -7.584 4.136 -15.878 1.00 51.23 H new ATOM 0 HE1 PHE A 24 -8.488 1.848 -11.618 1.00 74.45 H new ATOM 0 HE2 PHE A 24 -8.707 5.340 -14.055 1.00 20.51 H new ATOM 0 HZ PHE A 24 -9.168 4.196 -11.924 1.00 24.35 H new ATOM 385 N ASP A 25 -8.788 2.265 -18.315 1.00 11.40 N ATOM 386 CA ASP A 25 -9.873 3.114 -18.794 1.00 33.41 C ATOM 387 C ASP A 25 -11.112 2.283 -19.114 1.00 62.42 C ATOM 388 O ASP A 25 -12.230 2.653 -18.754 1.00 24.31 O ATOM 389 CB ASP A 25 -9.431 3.892 -20.034 1.00 75.02 C ATOM 390 CG ASP A 25 -10.254 5.147 -20.254 1.00 24.34 C ATOM 391 OD1 ASP A 25 -10.006 6.149 -19.551 1.00 41.31 O ATOM 392 OD2 ASP A 25 -11.144 5.126 -21.129 1.00 12.45 O ATOM 0 H ASP A 25 -7.982 2.220 -18.938 1.00 11.40 H new ATOM 0 HA ASP A 25 -10.125 3.820 -18.003 1.00 33.41 H new ATOM 0 HB2 ASP A 25 -8.380 4.163 -19.934 1.00 75.02 H new ATOM 0 HB3 ASP A 25 -9.512 3.249 -20.911 1.00 75.02 H new ATOM 397 N ILE A 26 -10.905 1.159 -19.793 1.00 40.54 N ATOM 398 CA ILE A 26 -12.005 0.277 -20.162 1.00 23.43 C ATOM 399 C ILE A 26 -12.643 -0.352 -18.927 1.00 45.42 C ATOM 400 O ILE A 26 -13.862 -0.502 -18.854 1.00 13.12 O ATOM 401 CB ILE A 26 -11.535 -0.843 -21.109 1.00 24.21 C ATOM 402 CG1 ILE A 26 -10.962 -0.246 -22.396 1.00 11.42 C ATOM 403 CG2 ILE A 26 -12.685 -1.788 -21.423 1.00 65.52 C ATOM 404 CD1 ILE A 26 -9.451 -0.177 -22.410 1.00 51.11 C ATOM 0 H ILE A 26 -9.986 0.838 -20.098 1.00 40.54 H new ATOM 0 HA ILE A 26 -12.743 0.892 -20.677 1.00 23.43 H new ATOM 0 HB ILE A 26 -10.748 -1.412 -20.613 1.00 24.21 H new ATOM 0 HG12 ILE A 26 -11.298 -0.842 -23.244 1.00 11.42 H new ATOM 0 HG13 ILE A 26 -11.365 0.758 -22.532 1.00 11.42 H new ATOM 0 HG21 ILE A 26 -12.337 -2.574 -22.093 1.00 65.52 H new ATOM 0 HG22 ILE A 26 -13.051 -2.235 -20.499 1.00 65.52 H new ATOM 0 HG23 ILE A 26 -13.491 -1.233 -21.902 1.00 65.52 H new ATOM 0 HD11 ILE A 26 -9.115 0.256 -23.352 1.00 51.11 H new ATOM 0 HD12 ILE A 26 -9.107 0.443 -21.582 1.00 51.11 H new ATOM 0 HD13 ILE A 26 -9.040 -1.181 -22.306 1.00 51.11 H new ATOM 416 N PHE A 27 -11.810 -0.715 -17.958 1.00 25.32 N ATOM 417 CA PHE A 27 -12.292 -1.327 -16.725 1.00 2.31 C ATOM 418 C PHE A 27 -13.194 -0.365 -15.958 1.00 11.35 C ATOM 419 O PHE A 27 -14.316 -0.710 -15.588 1.00 15.23 O ATOM 420 CB PHE A 27 -11.113 -1.750 -15.845 1.00 53.44 C ATOM 421 CG PHE A 27 -10.532 -3.082 -16.223 1.00 5.03 C ATOM 422 CD1 PHE A 27 -11.137 -4.258 -15.811 1.00 62.55 C ATOM 423 CD2 PHE A 27 -9.379 -3.158 -16.988 1.00 50.21 C ATOM 424 CE1 PHE A 27 -10.604 -5.486 -16.157 1.00 73.32 C ATOM 425 CE2 PHE A 27 -8.842 -4.383 -17.337 1.00 53.42 C ATOM 426 CZ PHE A 27 -9.455 -5.548 -16.920 1.00 61.23 C ATOM 0 H PHE A 27 -10.798 -0.596 -18.002 1.00 25.32 H new ATOM 0 HA PHE A 27 -12.873 -2.210 -16.990 1.00 2.31 H new ATOM 0 HB2 PHE A 27 -10.333 -0.991 -15.907 1.00 53.44 H new ATOM 0 HB3 PHE A 27 -11.440 -1.787 -14.806 1.00 53.44 H new ATOM 0 HD1 PHE A 27 -12.035 -4.215 -15.213 1.00 62.55 H new ATOM 0 HD2 PHE A 27 -8.895 -2.250 -17.315 1.00 50.21 H new ATOM 0 HE1 PHE A 27 -11.086 -6.396 -15.831 1.00 73.32 H new ATOM 0 HE2 PHE A 27 -7.944 -4.429 -17.935 1.00 53.42 H new ATOM 0 HZ PHE A 27 -9.036 -6.506 -17.190 1.00 61.23 H new ATOM 436 N VAL A 28 -12.695 0.844 -15.721 1.00 43.31 N ATOM 437 CA VAL A 28 -13.455 1.857 -14.998 1.00 45.34 C ATOM 438 C VAL A 28 -14.377 2.627 -15.937 1.00 63.45 C ATOM 439 O VAL A 28 -15.034 3.586 -15.532 1.00 2.31 O ATOM 440 CB VAL A 28 -12.523 2.853 -14.282 1.00 62.10 C ATOM 441 CG1 VAL A 28 -11.540 2.115 -13.386 1.00 64.34 C ATOM 442 CG2 VAL A 28 -11.788 3.718 -15.295 1.00 71.21 C ATOM 0 H VAL A 28 -11.767 1.146 -16.019 1.00 43.31 H new ATOM 0 HA VAL A 28 -14.054 1.332 -14.254 1.00 45.34 H new ATOM 0 HB VAL A 28 -13.130 3.505 -13.655 1.00 62.10 H new ATOM 0 HG11 VAL A 28 -10.890 2.835 -12.889 1.00 64.34 H new ATOM 0 HG12 VAL A 28 -12.089 1.543 -12.637 1.00 64.34 H new ATOM 0 HG13 VAL A 28 -10.936 1.437 -13.989 1.00 64.34 H new ATOM 0 HG21 VAL A 28 -11.134 4.416 -14.771 1.00 71.21 H new ATOM 0 HG22 VAL A 28 -11.191 3.083 -15.950 1.00 71.21 H new ATOM 0 HG23 VAL A 28 -12.511 4.276 -15.890 1.00 71.21 H new ATOM 452 N LEU A 29 -14.421 2.200 -17.195 1.00 35.54 N ATOM 453 CA LEU A 29 -15.264 2.848 -18.193 1.00 74.23 C ATOM 454 C LEU A 29 -16.740 2.708 -17.834 1.00 12.11 C ATOM 455 O LEU A 29 -17.578 3.481 -18.297 1.00 32.32 O ATOM 456 CB LEU A 29 -15.005 2.247 -19.576 1.00 32.32 C ATOM 457 CG LEU A 29 -16.116 1.360 -20.141 1.00 44.42 C ATOM 458 CD1 LEU A 29 -17.145 2.201 -20.880 1.00 72.14 C ATOM 459 CD2 LEU A 29 -15.533 0.297 -21.061 1.00 10.03 C ATOM 0 H LEU A 29 -13.883 1.408 -17.547 1.00 35.54 H new ATOM 0 HA LEU A 29 -15.013 3.908 -18.211 1.00 74.23 H new ATOM 0 HB2 LEU A 29 -14.827 3.062 -20.277 1.00 32.32 H new ATOM 0 HB3 LEU A 29 -14.087 1.660 -19.529 1.00 32.32 H new ATOM 0 HG LEU A 29 -16.614 0.860 -19.311 1.00 44.42 H new ATOM 0 HD11 LEU A 29 -17.928 1.554 -21.275 1.00 72.14 H new ATOM 0 HD12 LEU A 29 -17.585 2.924 -20.193 1.00 72.14 H new ATOM 0 HD13 LEU A 29 -16.661 2.729 -21.702 1.00 72.14 H new ATOM 0 HD21 LEU A 29 -16.337 -0.325 -21.454 1.00 10.03 H new ATOM 0 HD22 LEU A 29 -15.010 0.778 -21.887 1.00 10.03 H new ATOM 0 HD23 LEU A 29 -14.834 -0.325 -20.502 1.00 10.03 H new ATOM 471 N GLY A 30 -17.051 1.717 -17.003 1.00 44.41 N ATOM 472 CA GLY A 30 -18.425 1.496 -16.594 1.00 32.31 C ATOM 473 C GLY A 30 -18.787 2.262 -15.337 1.00 43.11 C ATOM 474 O GLY A 30 -19.951 2.596 -15.119 1.00 41.00 O ATOM 0 H GLY A 30 -16.375 1.064 -16.606 1.00 44.41 H new ATOM 0 HA2 GLY A 30 -19.093 1.793 -17.402 1.00 32.31 H new ATOM 0 HA3 GLY A 30 -18.583 0.431 -16.425 1.00 32.31 H new ATOM 478 N ALA A 31 -17.787 2.540 -14.507 1.00 43.11 N ATOM 479 CA ALA A 31 -18.005 3.272 -13.266 1.00 12.13 C ATOM 480 C ALA A 31 -18.258 4.751 -13.538 1.00 11.13 C ATOM 481 O ALA A 31 -18.135 5.212 -14.672 1.00 13.21 O ATOM 482 CB ALA A 31 -16.814 3.101 -12.335 1.00 63.32 C ATOM 0 H ALA A 31 -16.818 2.269 -14.672 1.00 43.11 H new ATOM 0 HA ALA A 31 -18.891 2.861 -12.783 1.00 12.13 H new ATOM 0 HB1 ALA A 31 -16.991 3.653 -11.412 1.00 63.32 H new ATOM 0 HB2 ALA A 31 -16.681 2.044 -12.105 1.00 63.32 H new ATOM 0 HB3 ALA A 31 -15.916 3.483 -12.820 1.00 63.32 H new ATOM 488 N GLU A 32 -18.612 5.489 -12.490 1.00 33.30 N ATOM 489 CA GLU A 32 -18.884 6.916 -12.618 1.00 22.30 C ATOM 490 C GLU A 32 -17.756 7.741 -12.005 1.00 13.22 C ATOM 491 O GLU A 32 -17.539 8.892 -12.383 1.00 40.51 O ATOM 492 CB GLU A 32 -20.212 7.267 -11.945 1.00 12.12 C ATOM 493 CG GLU A 32 -20.813 8.576 -12.430 1.00 71.52 C ATOM 494 CD GLU A 32 -22.284 8.705 -12.086 1.00 11.23 C ATOM 495 OE1 GLU A 32 -23.114 8.080 -12.779 1.00 3.23 O ATOM 496 OE2 GLU A 32 -22.605 9.432 -11.122 1.00 52.11 O ATOM 0 H GLU A 32 -18.717 5.123 -11.544 1.00 33.30 H new ATOM 0 HA GLU A 32 -18.950 7.154 -13.680 1.00 22.30 H new ATOM 0 HB2 GLU A 32 -20.924 6.462 -12.124 1.00 12.12 H new ATOM 0 HB3 GLU A 32 -20.060 7.324 -10.867 1.00 12.12 H new ATOM 0 HG2 GLU A 32 -20.266 9.409 -11.988 1.00 71.52 H new ATOM 0 HG3 GLU A 32 -20.688 8.651 -13.510 1.00 71.52 H new ATOM 503 N ASP A 33 -17.043 7.145 -11.056 1.00 61.32 N ATOM 504 CA ASP A 33 -15.937 7.823 -10.390 1.00 54.51 C ATOM 505 C ASP A 33 -14.604 7.447 -11.029 1.00 33.41 C ATOM 506 O ASP A 33 -13.678 8.255 -11.080 1.00 54.12 O ATOM 507 CB ASP A 33 -15.920 7.475 -8.901 1.00 10.11 C ATOM 508 CG ASP A 33 -17.259 7.720 -8.233 1.00 41.23 C ATOM 509 OD1 ASP A 33 -17.653 8.899 -8.110 1.00 21.43 O ATOM 510 OD2 ASP A 33 -17.913 6.734 -7.834 1.00 25.33 O ATOM 0 H ASP A 33 -17.211 6.193 -10.730 1.00 61.32 H new ATOM 0 HA ASP A 33 -16.082 8.897 -10.502 1.00 54.51 H new ATOM 0 HB2 ASP A 33 -15.643 6.428 -8.779 1.00 10.11 H new ATOM 0 HB3 ASP A 33 -15.154 8.068 -8.401 1.00 10.11 H new ATOM 515 N GLY A 34 -14.514 6.212 -11.514 1.00 71.11 N ATOM 516 CA GLY A 34 -13.290 5.749 -12.142 1.00 13.11 C ATOM 517 C GLY A 34 -12.612 4.649 -11.349 1.00 52.32 C ATOM 518 O GLY A 34 -11.401 4.690 -11.129 1.00 51.00 O ATOM 0 H GLY A 34 -15.267 5.524 -11.483 1.00 71.11 H new ATOM 0 HA2 GLY A 34 -13.515 5.384 -13.144 1.00 13.11 H new ATOM 0 HA3 GLY A 34 -12.603 6.588 -12.255 1.00 13.11 H new ATOM 522 N CYS A 35 -13.393 3.665 -10.918 1.00 54.23 N ATOM 523 CA CYS A 35 -12.861 2.550 -10.143 1.00 11.32 C ATOM 524 C CYS A 35 -13.597 1.256 -10.476 1.00 4.31 C ATOM 525 O CYS A 35 -14.564 1.259 -11.237 1.00 54.33 O ATOM 526 CB CYS A 35 -12.973 2.844 -8.646 1.00 63.31 C ATOM 527 SG CYS A 35 -12.086 4.328 -8.117 1.00 11.02 S ATOM 0 H CYS A 35 -14.397 3.617 -11.092 1.00 54.23 H new ATOM 0 HA CYS A 35 -11.810 2.426 -10.404 1.00 11.32 H new ATOM 0 HB2 CYS A 35 -14.026 2.951 -8.385 1.00 63.31 H new ATOM 0 HB3 CYS A 35 -12.592 1.988 -8.089 1.00 63.31 H new ATOM 0 HG CYS A 35 -11.448 4.836 -9.129 1.00 11.02 H new ATOM 533 N ILE A 36 -13.130 0.152 -9.902 1.00 50.33 N ATOM 534 CA ILE A 36 -13.743 -1.149 -10.139 1.00 13.40 C ATOM 535 C ILE A 36 -14.047 -1.860 -8.825 1.00 74.30 C ATOM 536 O ILE A 36 -13.146 -2.135 -8.033 1.00 70.10 O ATOM 537 CB ILE A 36 -12.838 -2.049 -11.000 1.00 73.32 C ATOM 538 CG1 ILE A 36 -12.349 -1.287 -12.233 1.00 65.43 C ATOM 539 CG2 ILE A 36 -13.583 -3.310 -11.411 1.00 73.53 C ATOM 540 CD1 ILE A 36 -10.850 -1.081 -12.260 1.00 53.23 C ATOM 0 H ILE A 36 -12.330 0.133 -9.270 1.00 50.33 H new ATOM 0 HA ILE A 36 -14.675 -0.967 -10.675 1.00 13.40 H new ATOM 0 HB ILE A 36 -11.970 -2.340 -10.408 1.00 73.32 H new ATOM 0 HG12 ILE A 36 -12.649 -1.830 -13.129 1.00 65.43 H new ATOM 0 HG13 ILE A 36 -12.842 -0.316 -12.269 1.00 65.43 H new ATOM 0 HG21 ILE A 36 -12.930 -3.936 -12.019 1.00 73.53 H new ATOM 0 HG22 ILE A 36 -13.887 -3.860 -10.520 1.00 73.53 H new ATOM 0 HG23 ILE A 36 -14.467 -3.039 -11.989 1.00 73.53 H new ATOM 0 HD11 ILE A 36 -10.574 -0.534 -13.162 1.00 53.23 H new ATOM 0 HD12 ILE A 36 -10.545 -0.511 -11.382 1.00 53.23 H new ATOM 0 HD13 ILE A 36 -10.350 -2.049 -12.255 1.00 53.23 H new ATOM 552 N SER A 37 -15.323 -2.158 -8.601 1.00 13.41 N ATOM 553 CA SER A 37 -15.747 -2.836 -7.382 1.00 14.03 C ATOM 554 C SER A 37 -15.907 -4.334 -7.621 1.00 63.30 C ATOM 555 O SER A 37 -16.176 -4.772 -8.740 1.00 44.24 O ATOM 556 CB SER A 37 -17.065 -2.246 -6.876 1.00 53.35 C ATOM 557 OG SER A 37 -17.261 -2.537 -5.504 1.00 14.24 O ATOM 0 H SER A 37 -16.081 -1.940 -9.248 1.00 13.41 H new ATOM 0 HA SER A 37 -14.976 -2.686 -6.626 1.00 14.03 H new ATOM 0 HB2 SER A 37 -17.065 -1.166 -7.025 1.00 53.35 H new ATOM 0 HB3 SER A 37 -17.894 -2.648 -7.458 1.00 53.35 H new ATOM 0 HG SER A 37 -16.441 -2.336 -5.007 1.00 14.24 H new ATOM 563 N THR A 38 -15.739 -5.118 -6.560 1.00 45.13 N ATOM 564 CA THR A 38 -15.862 -6.567 -6.653 1.00 61.13 C ATOM 565 C THR A 38 -17.210 -6.968 -7.241 1.00 13.52 C ATOM 566 O THR A 38 -17.352 -8.046 -7.818 1.00 54.43 O ATOM 567 CB THR A 38 -15.697 -7.235 -5.275 1.00 44.40 C ATOM 568 OG1 THR A 38 -15.949 -8.640 -5.378 1.00 62.41 O ATOM 569 CG2 THR A 38 -16.644 -6.618 -4.258 1.00 15.53 C ATOM 0 H THR A 38 -15.517 -4.773 -5.626 1.00 45.13 H new ATOM 0 HA THR A 38 -15.065 -6.910 -7.312 1.00 61.13 H new ATOM 0 HB THR A 38 -14.673 -7.074 -4.938 1.00 44.40 H new ATOM 0 HG1 THR A 38 -16.322 -8.968 -4.533 1.00 62.41 H new ATOM 0 HG21 THR A 38 -16.509 -7.106 -3.293 1.00 15.53 H new ATOM 0 HG22 THR A 38 -16.429 -5.554 -4.160 1.00 15.53 H new ATOM 0 HG23 THR A 38 -17.673 -6.751 -4.591 1.00 15.53 H new ATOM 577 N LYS A 39 -18.199 -6.093 -7.091 1.00 10.42 N ATOM 578 CA LYS A 39 -19.537 -6.353 -7.608 1.00 71.31 C ATOM 579 C LYS A 39 -19.522 -6.453 -9.130 1.00 60.51 C ATOM 580 O LYS A 39 -19.991 -7.438 -9.700 1.00 42.25 O ATOM 581 CB LYS A 39 -20.500 -5.248 -7.169 1.00 34.43 C ATOM 582 CG LYS A 39 -21.964 -5.612 -7.346 1.00 14.12 C ATOM 583 CD LYS A 39 -22.875 -4.446 -6.998 1.00 5.12 C ATOM 584 CE LYS A 39 -22.979 -3.458 -8.149 1.00 51.51 C ATOM 585 NZ LYS A 39 -23.627 -2.184 -7.730 1.00 5.24 N ATOM 0 H LYS A 39 -18.098 -5.197 -6.615 1.00 10.42 H new ATOM 0 HA LYS A 39 -19.877 -7.305 -7.202 1.00 71.31 H new ATOM 0 HB2 LYS A 39 -20.317 -5.013 -6.120 1.00 34.43 H new ATOM 0 HB3 LYS A 39 -20.287 -4.344 -7.740 1.00 34.43 H new ATOM 0 HG2 LYS A 39 -22.142 -5.918 -8.377 1.00 14.12 H new ATOM 0 HG3 LYS A 39 -22.207 -6.466 -6.713 1.00 14.12 H new ATOM 0 HD2 LYS A 39 -23.868 -4.820 -6.748 1.00 5.12 H new ATOM 0 HD3 LYS A 39 -22.494 -3.937 -6.113 1.00 5.12 H new ATOM 0 HE2 LYS A 39 -21.983 -3.248 -8.538 1.00 51.51 H new ATOM 0 HE3 LYS A 39 -23.551 -3.906 -8.962 1.00 51.51 H new ATOM 0 HZ1 LYS A 39 -23.679 -1.537 -8.543 1.00 5.24 H new ATOM 0 HZ2 LYS A 39 -24.587 -2.381 -7.382 1.00 5.24 H new ATOM 0 HZ3 LYS A 39 -23.068 -1.743 -6.972 1.00 5.24 H new ATOM 599 N GLU A 40 -18.979 -5.429 -9.781 1.00 31.22 N ATOM 600 CA GLU A 40 -18.903 -5.404 -11.237 1.00 10.12 C ATOM 601 C GLU A 40 -17.757 -6.279 -11.737 1.00 0.31 C ATOM 602 O GLU A 40 -17.855 -6.907 -12.792 1.00 42.41 O ATOM 603 CB GLU A 40 -18.719 -3.969 -11.735 1.00 60.03 C ATOM 604 CG GLU A 40 -19.736 -2.993 -11.169 1.00 54.20 C ATOM 605 CD GLU A 40 -21.113 -3.166 -11.780 1.00 15.31 C ATOM 606 OE1 GLU A 40 -21.240 -3.009 -13.012 1.00 75.11 O ATOM 607 OE2 GLU A 40 -22.064 -3.458 -11.025 1.00 13.04 O ATOM 0 H GLU A 40 -18.586 -4.607 -9.324 1.00 31.22 H new ATOM 0 HA GLU A 40 -19.838 -5.801 -11.631 1.00 10.12 H new ATOM 0 HB2 GLU A 40 -17.717 -3.629 -11.474 1.00 60.03 H new ATOM 0 HB3 GLU A 40 -18.785 -3.960 -12.823 1.00 60.03 H new ATOM 0 HG2 GLU A 40 -19.802 -3.128 -10.089 1.00 54.20 H new ATOM 0 HG3 GLU A 40 -19.391 -1.974 -11.342 1.00 54.20 H new ATOM 614 N LEU A 41 -16.671 -6.314 -10.973 1.00 20.33 N ATOM 615 CA LEU A 41 -15.505 -7.111 -11.337 1.00 63.22 C ATOM 616 C LEU A 41 -15.860 -8.593 -11.415 1.00 11.50 C ATOM 617 O LEU A 41 -15.473 -9.286 -12.354 1.00 44.15 O ATOM 618 CB LEU A 41 -14.379 -6.898 -10.323 1.00 54.44 C ATOM 619 CG LEU A 41 -13.084 -7.667 -10.586 1.00 52.33 C ATOM 620 CD1 LEU A 41 -12.730 -7.626 -12.065 1.00 3.24 C ATOM 621 CD2 LEU A 41 -11.948 -7.100 -9.748 1.00 22.04 C ATOM 0 H LEU A 41 -16.574 -5.800 -10.098 1.00 20.33 H new ATOM 0 HA LEU A 41 -15.167 -6.785 -12.320 1.00 63.22 H new ATOM 0 HB2 LEU A 41 -14.145 -5.834 -10.288 1.00 54.44 H new ATOM 0 HB3 LEU A 41 -14.749 -7.176 -9.336 1.00 54.44 H new ATOM 0 HG LEU A 41 -13.237 -8.707 -10.299 1.00 52.33 H new ATOM 0 HD11 LEU A 41 -11.806 -8.178 -12.233 1.00 3.24 H new ATOM 0 HD12 LEU A 41 -13.534 -8.079 -12.644 1.00 3.24 H new ATOM 0 HD13 LEU A 41 -12.596 -6.591 -12.379 1.00 3.24 H new ATOM 0 HD21 LEU A 41 -11.034 -7.659 -9.948 1.00 22.04 H new ATOM 0 HD22 LEU A 41 -11.795 -6.052 -10.004 1.00 22.04 H new ATOM 0 HD23 LEU A 41 -12.200 -7.182 -8.691 1.00 22.04 H new ATOM 633 N GLY A 42 -16.602 -9.071 -10.421 1.00 14.01 N ATOM 634 CA GLY A 42 -17.000 -10.467 -10.397 1.00 43.50 C ATOM 635 C GLY A 42 -17.649 -10.907 -11.694 1.00 11.20 C ATOM 636 O GLY A 42 -17.462 -12.040 -12.138 1.00 44.31 O ATOM 0 H GLY A 42 -16.935 -8.517 -9.632 1.00 14.01 H new ATOM 0 HA2 GLY A 42 -16.125 -11.088 -10.203 1.00 43.50 H new ATOM 0 HA3 GLY A 42 -17.695 -10.629 -9.573 1.00 43.50 H new ATOM 640 N LYS A 43 -18.417 -10.010 -12.303 1.00 51.14 N ATOM 641 CA LYS A 43 -19.098 -10.311 -13.557 1.00 41.32 C ATOM 642 C LYS A 43 -18.101 -10.405 -14.708 1.00 55.24 C ATOM 643 O LYS A 43 -18.108 -11.372 -15.470 1.00 45.34 O ATOM 644 CB LYS A 43 -20.146 -9.238 -13.862 1.00 60.13 C ATOM 645 CG LYS A 43 -21.575 -9.702 -13.636 1.00 45.12 C ATOM 646 CD LYS A 43 -22.555 -8.929 -14.502 1.00 14.35 C ATOM 647 CE LYS A 43 -23.283 -9.844 -15.474 1.00 64.42 C ATOM 648 NZ LYS A 43 -24.221 -10.764 -14.774 1.00 35.01 N ATOM 0 H LYS A 43 -18.584 -9.068 -11.948 1.00 51.14 H new ATOM 0 HA LYS A 43 -19.595 -11.275 -13.450 1.00 41.32 H new ATOM 0 HB2 LYS A 43 -19.953 -8.366 -13.238 1.00 60.13 H new ATOM 0 HB3 LYS A 43 -20.036 -8.919 -14.898 1.00 60.13 H new ATOM 0 HG2 LYS A 43 -21.652 -10.766 -13.858 1.00 45.12 H new ATOM 0 HG3 LYS A 43 -21.838 -9.576 -12.586 1.00 45.12 H new ATOM 0 HD2 LYS A 43 -23.280 -8.420 -13.867 1.00 14.35 H new ATOM 0 HD3 LYS A 43 -22.021 -8.158 -15.057 1.00 14.35 H new ATOM 0 HE2 LYS A 43 -23.836 -9.242 -16.195 1.00 64.42 H new ATOM 0 HE3 LYS A 43 -22.555 -10.428 -16.038 1.00 64.42 H new ATOM 0 HZ1 LYS A 43 -24.759 -11.312 -15.476 1.00 35.01 H new ATOM 0 HZ2 LYS A 43 -23.682 -11.414 -14.167 1.00 35.01 H new ATOM 0 HZ3 LYS A 43 -24.879 -10.210 -14.189 1.00 35.01 H new ATOM 662 N VAL A 44 -17.245 -9.395 -14.828 1.00 54.12 N ATOM 663 CA VAL A 44 -16.241 -9.365 -15.885 1.00 31.42 C ATOM 664 C VAL A 44 -15.371 -10.617 -15.851 1.00 52.13 C ATOM 665 O VAL A 44 -14.854 -11.053 -16.879 1.00 73.33 O ATOM 666 CB VAL A 44 -15.339 -8.123 -15.767 1.00 4.24 C ATOM 667 CG1 VAL A 44 -14.377 -8.047 -16.943 1.00 20.43 C ATOM 668 CG2 VAL A 44 -16.181 -6.860 -15.674 1.00 52.34 C ATOM 0 H VAL A 44 -17.227 -8.587 -14.206 1.00 54.12 H new ATOM 0 HA VAL A 44 -16.779 -9.325 -16.832 1.00 31.42 H new ATOM 0 HB VAL A 44 -14.751 -8.208 -14.853 1.00 4.24 H new ATOM 0 HG11 VAL A 44 -13.748 -7.163 -16.842 1.00 20.43 H new ATOM 0 HG12 VAL A 44 -13.750 -8.939 -16.958 1.00 20.43 H new ATOM 0 HG13 VAL A 44 -14.943 -7.985 -17.873 1.00 20.43 H new ATOM 0 HG21 VAL A 44 -15.527 -5.992 -15.591 1.00 52.34 H new ATOM 0 HG22 VAL A 44 -16.797 -6.766 -16.569 1.00 52.34 H new ATOM 0 HG23 VAL A 44 -16.824 -6.915 -14.795 1.00 52.34 H new ATOM 678 N MET A 45 -15.214 -11.190 -14.663 1.00 34.23 N ATOM 679 CA MET A 45 -14.408 -12.394 -14.496 1.00 1.34 C ATOM 680 C MET A 45 -14.834 -13.475 -15.483 1.00 60.23 C ATOM 681 O MET A 45 -14.026 -14.309 -15.891 1.00 63.25 O ATOM 682 CB MET A 45 -14.527 -12.919 -13.064 1.00 13.34 C ATOM 683 CG MET A 45 -13.951 -11.975 -12.020 1.00 72.23 C ATOM 684 SD MET A 45 -12.309 -12.472 -11.466 1.00 1.10 S ATOM 685 CE MET A 45 -11.549 -12.926 -13.023 1.00 31.20 C ATOM 0 H MET A 45 -15.634 -10.841 -13.802 1.00 34.23 H new ATOM 0 HA MET A 45 -13.368 -12.135 -14.695 1.00 1.34 H new ATOM 0 HB2 MET A 45 -15.578 -13.099 -12.838 1.00 13.34 H new ATOM 0 HB3 MET A 45 -14.016 -13.880 -12.994 1.00 13.34 H new ATOM 0 HG2 MET A 45 -13.901 -10.968 -12.434 1.00 72.23 H new ATOM 0 HG3 MET A 45 -14.623 -11.934 -11.163 1.00 72.23 H new ATOM 0 HE1 MET A 45 -10.481 -13.085 -12.874 1.00 31.20 H new ATOM 0 HE2 MET A 45 -12.004 -13.843 -13.396 1.00 31.20 H new ATOM 0 HE3 MET A 45 -11.699 -12.126 -13.748 1.00 31.20 H new ATOM 695 N ARG A 46 -16.107 -13.455 -15.863 1.00 34.10 N ATOM 696 CA ARG A 46 -16.640 -14.435 -16.802 1.00 34.14 C ATOM 697 C ARG A 46 -15.883 -14.388 -18.126 1.00 14.54 C ATOM 698 O ARG A 46 -15.717 -15.408 -18.793 1.00 45.33 O ATOM 699 CB ARG A 46 -18.130 -14.183 -17.044 1.00 23.30 C ATOM 700 CG ARG A 46 -18.405 -13.051 -18.020 1.00 20.01 C ATOM 701 CD ARG A 46 -19.897 -12.858 -18.242 1.00 42.24 C ATOM 702 NE ARG A 46 -20.187 -12.322 -19.570 1.00 34.13 N ATOM 703 CZ ARG A 46 -21.403 -12.306 -20.106 1.00 24.31 C ATOM 704 NH1 ARG A 46 -22.435 -12.793 -19.431 1.00 62.54 N ATOM 705 NH2 ARG A 46 -21.587 -11.802 -21.319 1.00 52.22 N ATOM 0 H ARG A 46 -16.789 -12.771 -15.535 1.00 34.10 H new ATOM 0 HA ARG A 46 -16.512 -15.426 -16.366 1.00 34.14 H new ATOM 0 HB2 ARG A 46 -18.588 -15.097 -17.422 1.00 23.30 H new ATOM 0 HB3 ARG A 46 -18.611 -13.956 -16.092 1.00 23.30 H new ATOM 0 HG2 ARG A 46 -17.970 -12.127 -17.639 1.00 20.01 H new ATOM 0 HG3 ARG A 46 -17.919 -13.264 -18.972 1.00 20.01 H new ATOM 0 HD2 ARG A 46 -20.409 -13.812 -18.116 1.00 42.24 H new ATOM 0 HD3 ARG A 46 -20.292 -12.182 -17.484 1.00 42.24 H new ATOM 0 HE ARG A 46 -19.414 -11.939 -20.115 1.00 34.13 H new ATOM 0 HH11 ARG A 46 -22.297 -13.181 -18.498 1.00 62.54 H new ATOM 0 HH12 ARG A 46 -23.367 -12.779 -19.845 1.00 62.54 H new ATOM 0 HH21 ARG A 46 -20.795 -11.427 -21.841 1.00 52.22 H new ATOM 0 HH22 ARG A 46 -22.520 -11.790 -21.730 1.00 52.22 H new ATOM 719 N MET A 47 -15.428 -13.196 -18.499 1.00 13.14 N ATOM 720 CA MET A 47 -14.689 -13.016 -19.742 1.00 44.24 C ATOM 721 C MET A 47 -13.337 -13.721 -19.678 1.00 54.23 C ATOM 722 O MET A 47 -12.832 -14.210 -20.690 1.00 12.33 O ATOM 723 CB MET A 47 -14.487 -11.527 -20.030 1.00 0.21 C ATOM 724 CG MET A 47 -15.757 -10.814 -20.465 1.00 34.42 C ATOM 725 SD MET A 47 -15.913 -10.705 -22.258 1.00 11.42 S ATOM 726 CE MET A 47 -17.359 -9.659 -22.409 1.00 14.14 C ATOM 0 H MET A 47 -15.558 -12.341 -17.958 1.00 13.14 H new ATOM 0 HA MET A 47 -15.272 -13.459 -20.549 1.00 44.24 H new ATOM 0 HB2 MET A 47 -14.096 -11.042 -19.135 1.00 0.21 H new ATOM 0 HB3 MET A 47 -13.732 -11.415 -20.809 1.00 0.21 H new ATOM 0 HG2 MET A 47 -16.621 -11.340 -20.060 1.00 34.42 H new ATOM 0 HG3 MET A 47 -15.768 -9.810 -20.041 1.00 34.42 H new ATOM 0 HE1 MET A 47 -17.584 -9.499 -23.463 1.00 14.14 H new ATOM 0 HE2 MET A 47 -18.209 -10.141 -21.926 1.00 14.14 H new ATOM 0 HE3 MET A 47 -17.166 -8.699 -21.929 1.00 14.14 H new ATOM 736 N LEU A 48 -12.757 -13.769 -18.484 1.00 63.55 N ATOM 737 CA LEU A 48 -11.463 -14.415 -18.289 1.00 12.14 C ATOM 738 C LEU A 48 -11.603 -15.934 -18.313 1.00 40.45 C ATOM 739 O LEU A 48 -10.639 -16.652 -18.576 1.00 53.33 O ATOM 740 CB LEU A 48 -10.845 -13.970 -16.962 1.00 43.12 C ATOM 741 CG LEU A 48 -10.206 -12.581 -16.952 1.00 0.40 C ATOM 742 CD1 LEU A 48 -9.144 -12.474 -18.035 1.00 4.41 C ATOM 743 CD2 LEU A 48 -11.267 -11.505 -17.135 1.00 5.35 C ATOM 0 H LEU A 48 -13.161 -13.369 -17.637 1.00 63.55 H new ATOM 0 HA LEU A 48 -10.808 -14.116 -19.107 1.00 12.14 H new ATOM 0 HB2 LEU A 48 -11.620 -13.997 -16.196 1.00 43.12 H new ATOM 0 HB3 LEU A 48 -10.087 -14.699 -16.675 1.00 43.12 H new ATOM 0 HG LEU A 48 -9.726 -12.430 -15.985 1.00 0.40 H new ATOM 0 HD11 LEU A 48 -8.700 -11.479 -18.013 1.00 4.41 H new ATOM 0 HD12 LEU A 48 -8.369 -13.221 -17.860 1.00 4.41 H new ATOM 0 HD13 LEU A 48 -9.600 -12.646 -19.010 1.00 4.41 H new ATOM 0 HD21 LEU A 48 -10.795 -10.523 -17.125 1.00 5.35 H new ATOM 0 HD22 LEU A 48 -11.776 -11.654 -18.088 1.00 5.35 H new ATOM 0 HD23 LEU A 48 -11.992 -11.567 -16.323 1.00 5.35 H new ATOM 755 N GLY A 49 -12.811 -16.416 -18.040 1.00 34.22 N ATOM 756 CA GLY A 49 -13.056 -17.847 -18.038 1.00 41.32 C ATOM 757 C GLY A 49 -13.405 -18.374 -16.660 1.00 43.35 C ATOM 758 O GLY A 49 -13.496 -19.584 -16.458 1.00 33.05 O ATOM 0 H GLY A 49 -13.625 -15.842 -17.820 1.00 34.22 H new ATOM 0 HA2 GLY A 49 -13.869 -18.074 -18.727 1.00 41.32 H new ATOM 0 HA3 GLY A 49 -12.171 -18.364 -18.408 1.00 41.32 H new ATOM 762 N GLN A 50 -13.598 -17.463 -15.712 1.00 20.23 N ATOM 763 CA GLN A 50 -13.936 -17.844 -14.346 1.00 32.25 C ATOM 764 C GLN A 50 -15.094 -17.004 -13.817 1.00 2.23 C ATOM 765 O GLN A 50 -15.426 -15.963 -14.382 1.00 15.12 O ATOM 766 CB GLN A 50 -12.718 -17.687 -13.434 1.00 32.25 C ATOM 767 CG GLN A 50 -11.524 -18.524 -13.864 1.00 32.04 C ATOM 768 CD GLN A 50 -10.767 -17.908 -15.024 1.00 12.14 C ATOM 769 OE1 GLN A 50 -10.620 -18.523 -16.080 1.00 43.22 O ATOM 770 NE2 GLN A 50 -10.282 -16.687 -14.833 1.00 14.44 N ATOM 0 H GLN A 50 -13.526 -16.457 -15.864 1.00 20.23 H new ATOM 0 HA GLN A 50 -14.243 -18.890 -14.353 1.00 32.25 H new ATOM 0 HB2 GLN A 50 -12.425 -16.637 -13.410 1.00 32.25 H new ATOM 0 HB3 GLN A 50 -12.998 -17.963 -12.417 1.00 32.25 H new ATOM 0 HG2 GLN A 50 -10.848 -18.647 -13.018 1.00 32.04 H new ATOM 0 HG3 GLN A 50 -11.866 -19.520 -14.146 1.00 32.04 H new ATOM 0 HE21 GLN A 50 -10.428 -16.214 -13.941 1.00 14.44 H new ATOM 0 HE22 GLN A 50 -9.764 -16.222 -15.578 1.00 14.44 H new ATOM 779 N ASN A 51 -15.704 -17.464 -12.729 1.00 41.51 N ATOM 780 CA ASN A 51 -16.826 -16.754 -12.124 1.00 65.14 C ATOM 781 C ASN A 51 -16.778 -16.857 -10.603 1.00 62.20 C ATOM 782 O ASN A 51 -17.655 -17.443 -9.968 1.00 10.42 O ATOM 783 CB ASN A 51 -18.151 -17.316 -12.644 1.00 3.25 C ATOM 784 CG ASN A 51 -18.073 -17.726 -14.101 1.00 73.14 C ATOM 785 OD1 ASN A 51 -18.133 -16.885 -14.998 1.00 63.05 O ATOM 786 ND2 ASN A 51 -17.940 -19.025 -14.344 1.00 53.11 N ATOM 0 H ASN A 51 -15.441 -18.324 -12.249 1.00 41.51 H new ATOM 0 HA ASN A 51 -16.751 -15.702 -12.401 1.00 65.14 H new ATOM 0 HB2 ASN A 51 -18.438 -18.178 -12.042 1.00 3.25 H new ATOM 0 HB3 ASN A 51 -18.933 -16.567 -12.522 1.00 3.25 H new ATOM 0 HD21 ASN A 51 -17.883 -19.361 -15.305 1.00 53.11 H new ATOM 0 HD22 ASN A 51 -17.894 -19.687 -13.569 1.00 53.11 H new ATOM 793 N PRO A 52 -15.729 -16.274 -10.003 1.00 71.41 N ATOM 794 CA PRO A 52 -15.542 -16.286 -8.549 1.00 40.23 C ATOM 795 C PRO A 52 -16.564 -15.415 -7.826 1.00 71.34 C ATOM 796 O PRO A 52 -16.971 -14.368 -8.331 1.00 34.13 O ATOM 797 CB PRO A 52 -14.132 -15.717 -8.369 1.00 33.33 C ATOM 798 CG PRO A 52 -13.903 -14.881 -9.580 1.00 50.00 C ATOM 799 CD PRO A 52 -14.646 -15.559 -10.698 1.00 23.10 C ATOM 0 HA PRO A 52 -15.671 -17.284 -8.129 1.00 40.23 H new ATOM 0 HB2 PRO A 52 -14.058 -15.123 -7.458 1.00 33.33 H new ATOM 0 HB3 PRO A 52 -13.391 -16.513 -8.291 1.00 33.33 H new ATOM 0 HG2 PRO A 52 -14.269 -13.865 -9.428 1.00 50.00 H new ATOM 0 HG3 PRO A 52 -12.840 -14.806 -9.807 1.00 50.00 H new ATOM 0 HD2 PRO A 52 -15.037 -14.838 -11.416 1.00 23.10 H new ATOM 0 HD3 PRO A 52 -14.003 -16.243 -11.251 1.00 23.10 H new ATOM 807 N THR A 53 -16.976 -15.854 -6.641 1.00 23.22 N ATOM 808 CA THR A 53 -17.951 -15.115 -5.849 1.00 22.42 C ATOM 809 C THR A 53 -17.484 -13.687 -5.595 1.00 2.33 C ATOM 810 O THR A 53 -16.299 -13.367 -5.699 1.00 74.31 O ATOM 811 CB THR A 53 -18.215 -15.805 -4.497 1.00 70.10 C ATOM 812 OG1 THR A 53 -17.106 -16.641 -4.149 1.00 31.52 O ATOM 813 CG2 THR A 53 -19.487 -16.638 -4.554 1.00 23.10 C ATOM 0 H THR A 53 -16.649 -16.718 -6.209 1.00 23.22 H new ATOM 0 HA THR A 53 -18.876 -15.095 -6.425 1.00 22.42 H new ATOM 0 HB THR A 53 -18.339 -15.033 -3.738 1.00 70.10 H new ATOM 0 HG1 THR A 53 -17.281 -17.075 -3.288 1.00 31.52 H new ATOM 0 HG21 THR A 53 -19.653 -17.116 -3.588 1.00 23.10 H new ATOM 0 HG22 THR A 53 -20.334 -15.993 -4.790 1.00 23.10 H new ATOM 0 HG23 THR A 53 -19.387 -17.403 -5.324 1.00 23.10 H new ATOM 821 N PRO A 54 -18.434 -12.805 -5.252 1.00 55.31 N ATOM 822 CA PRO A 54 -18.143 -11.395 -4.975 1.00 34.04 C ATOM 823 C PRO A 54 -17.365 -11.208 -3.677 1.00 21.42 C ATOM 824 O PRO A 54 -16.341 -10.527 -3.650 1.00 2.30 O ATOM 825 CB PRO A 54 -19.532 -10.762 -4.861 1.00 14.23 C ATOM 826 CG PRO A 54 -20.427 -11.882 -4.457 1.00 35.10 C ATOM 827 CD PRO A 54 -19.867 -13.116 -5.109 1.00 4.23 C ATOM 0 HA PRO A 54 -17.518 -10.948 -5.748 1.00 34.04 H new ATOM 0 HB2 PRO A 54 -19.542 -9.961 -4.122 1.00 14.23 H new ATOM 0 HB3 PRO A 54 -19.847 -10.326 -5.809 1.00 14.23 H new ATOM 0 HG2 PRO A 54 -20.451 -11.990 -3.373 1.00 35.10 H new ATOM 0 HG3 PRO A 54 -21.451 -11.700 -4.782 1.00 35.10 H new ATOM 0 HD2 PRO A 54 -20.027 -14.003 -4.495 1.00 4.23 H new ATOM 0 HD3 PRO A 54 -20.335 -13.308 -6.074 1.00 4.23 H new ATOM 835 N GLU A 55 -17.857 -11.819 -2.603 1.00 54.25 N ATOM 836 CA GLU A 55 -17.207 -11.718 -1.302 1.00 64.55 C ATOM 837 C GLU A 55 -15.841 -12.400 -1.323 1.00 52.32 C ATOM 838 O GLU A 55 -14.893 -11.930 -0.696 1.00 2.13 O ATOM 839 CB GLU A 55 -18.085 -12.346 -0.218 1.00 52.41 C ATOM 840 CG GLU A 55 -19.325 -11.529 0.109 1.00 65.44 C ATOM 841 CD GLU A 55 -19.961 -11.936 1.423 1.00 30.14 C ATOM 842 OE1 GLU A 55 -20.360 -13.112 1.551 1.00 23.44 O ATOM 843 OE2 GLU A 55 -20.060 -11.077 2.325 1.00 60.14 O ATOM 0 H GLU A 55 -18.703 -12.389 -2.609 1.00 54.25 H new ATOM 0 HA GLU A 55 -17.064 -10.661 -1.077 1.00 64.55 H new ATOM 0 HB2 GLU A 55 -18.390 -13.341 -0.541 1.00 52.41 H new ATOM 0 HB3 GLU A 55 -17.494 -12.472 0.689 1.00 52.41 H new ATOM 0 HG2 GLU A 55 -19.059 -10.473 0.150 1.00 65.44 H new ATOM 0 HG3 GLU A 55 -20.053 -11.644 -0.694 1.00 65.44 H new ATOM 850 N GLU A 56 -15.751 -13.510 -2.049 1.00 12.11 N ATOM 851 CA GLU A 56 -14.503 -14.256 -2.150 1.00 63.41 C ATOM 852 C GLU A 56 -13.453 -13.459 -2.919 1.00 21.22 C ATOM 853 O GLU A 56 -12.358 -13.204 -2.415 1.00 34.24 O ATOM 854 CB GLU A 56 -14.742 -15.602 -2.838 1.00 23.21 C ATOM 855 CG GLU A 56 -13.528 -16.517 -2.824 1.00 14.20 C ATOM 856 CD GLU A 56 -13.495 -17.422 -1.608 1.00 65.53 C ATOM 857 OE1 GLU A 56 -14.491 -18.139 -1.375 1.00 64.13 O ATOM 858 OE2 GLU A 56 -12.473 -17.415 -0.890 1.00 51.31 O ATOM 0 H GLU A 56 -16.527 -13.912 -2.575 1.00 12.11 H new ATOM 0 HA GLU A 56 -14.132 -14.433 -1.140 1.00 63.41 H new ATOM 0 HB2 GLU A 56 -15.574 -16.108 -2.348 1.00 23.21 H new ATOM 0 HB3 GLU A 56 -15.041 -15.424 -3.871 1.00 23.21 H new ATOM 0 HG2 GLU A 56 -13.527 -17.128 -3.727 1.00 14.20 H new ATOM 0 HG3 GLU A 56 -12.621 -15.912 -2.847 1.00 14.20 H new ATOM 865 N LEU A 57 -13.794 -13.069 -4.142 1.00 3.00 N ATOM 866 CA LEU A 57 -12.881 -12.301 -4.982 1.00 53.11 C ATOM 867 C LEU A 57 -12.533 -10.967 -4.330 1.00 14.31 C ATOM 868 O LEU A 57 -11.418 -10.467 -4.475 1.00 53.33 O ATOM 869 CB LEU A 57 -13.504 -12.062 -6.359 1.00 4.32 C ATOM 870 CG LEU A 57 -14.379 -10.815 -6.492 1.00 72.23 C ATOM 871 CD1 LEU A 57 -13.530 -9.600 -6.829 1.00 5.44 C ATOM 872 CD2 LEU A 57 -15.452 -11.028 -7.550 1.00 41.25 C ATOM 0 H LEU A 57 -14.695 -13.272 -4.574 1.00 3.00 H new ATOM 0 HA LEU A 57 -11.963 -12.877 -5.100 1.00 53.11 H new ATOM 0 HB2 LEU A 57 -12.701 -11.998 -7.093 1.00 4.32 H new ATOM 0 HB3 LEU A 57 -14.105 -12.933 -6.620 1.00 4.32 H new ATOM 0 HG LEU A 57 -14.870 -10.635 -5.535 1.00 72.23 H new ATOM 0 HD11 LEU A 57 -14.170 -8.723 -6.920 1.00 5.44 H new ATOM 0 HD12 LEU A 57 -12.799 -9.436 -6.037 1.00 5.44 H new ATOM 0 HD13 LEU A 57 -13.011 -9.769 -7.772 1.00 5.44 H new ATOM 0 HD21 LEU A 57 -16.066 -10.131 -7.632 1.00 41.25 H new ATOM 0 HD22 LEU A 57 -14.980 -11.233 -8.511 1.00 41.25 H new ATOM 0 HD23 LEU A 57 -16.080 -11.873 -7.266 1.00 41.25 H new ATOM 884 N GLN A 58 -13.495 -10.397 -3.610 1.00 25.42 N ATOM 885 CA GLN A 58 -13.288 -9.122 -2.934 1.00 54.21 C ATOM 886 C GLN A 58 -12.105 -9.199 -1.975 1.00 41.22 C ATOM 887 O GLN A 58 -11.493 -8.183 -1.648 1.00 1.32 O ATOM 888 CB GLN A 58 -14.551 -8.714 -2.173 1.00 10.01 C ATOM 889 CG GLN A 58 -14.309 -7.641 -1.124 1.00 50.40 C ATOM 890 CD GLN A 58 -15.512 -6.740 -0.923 1.00 5.33 C ATOM 891 OE1 GLN A 58 -16.656 -7.184 -1.012 1.00 15.00 O ATOM 892 NE2 GLN A 58 -15.258 -5.465 -0.649 1.00 63.40 N ATOM 0 H GLN A 58 -14.424 -10.798 -3.480 1.00 25.42 H new ATOM 0 HA GLN A 58 -13.069 -8.369 -3.691 1.00 54.21 H new ATOM 0 HB2 GLN A 58 -15.294 -8.354 -2.885 1.00 10.01 H new ATOM 0 HB3 GLN A 58 -14.974 -9.594 -1.689 1.00 10.01 H new ATOM 0 HG2 GLN A 58 -14.053 -8.115 -0.177 1.00 50.40 H new ATOM 0 HG3 GLN A 58 -13.452 -7.036 -1.420 1.00 50.40 H new ATOM 0 HE21 GLN A 58 -14.293 -5.140 -0.585 1.00 63.40 H new ATOM 0 HE22 GLN A 58 -16.028 -4.812 -0.503 1.00 63.40 H new ATOM 901 N GLU A 59 -11.789 -10.410 -1.529 1.00 30.53 N ATOM 902 CA GLU A 59 -10.679 -10.619 -0.606 1.00 52.51 C ATOM 903 C GLU A 59 -9.371 -10.108 -1.204 1.00 55.42 C ATOM 904 O GLU A 59 -8.635 -9.358 -0.564 1.00 12.22 O ATOM 905 CB GLU A 59 -10.548 -12.103 -0.258 1.00 1.43 C ATOM 906 CG GLU A 59 -11.742 -12.658 0.501 1.00 43.31 C ATOM 907 CD GLU A 59 -11.751 -12.241 1.959 1.00 72.40 C ATOM 908 OE1 GLU A 59 -11.129 -12.947 2.781 1.00 75.12 O ATOM 909 OE2 GLU A 59 -12.380 -11.211 2.278 1.00 31.03 O ATOM 0 H GLU A 59 -12.285 -11.262 -1.791 1.00 30.53 H new ATOM 0 HA GLU A 59 -10.887 -10.057 0.305 1.00 52.51 H new ATOM 0 HB2 GLU A 59 -10.416 -12.673 -1.178 1.00 1.43 H new ATOM 0 HB3 GLU A 59 -9.648 -12.249 0.340 1.00 1.43 H new ATOM 0 HG2 GLU A 59 -12.661 -12.318 0.024 1.00 43.31 H new ATOM 0 HG3 GLU A 59 -11.734 -13.746 0.438 1.00 43.31 H new ATOM 916 N MET A 60 -9.090 -10.520 -2.436 1.00 30.02 N ATOM 917 CA MET A 60 -7.872 -10.104 -3.121 1.00 2.11 C ATOM 918 C MET A 60 -7.850 -8.592 -3.322 1.00 13.14 C ATOM 919 O MET A 60 -6.784 -7.978 -3.367 1.00 40.22 O ATOM 920 CB MET A 60 -7.754 -10.811 -4.472 1.00 72.24 C ATOM 921 CG MET A 60 -7.259 -12.244 -4.367 1.00 63.32 C ATOM 922 SD MET A 60 -8.571 -13.403 -3.935 1.00 2.15 S ATOM 923 CE MET A 60 -7.617 -14.751 -3.242 1.00 21.50 C ATOM 0 H MET A 60 -9.689 -11.141 -2.980 1.00 30.02 H new ATOM 0 HA MET A 60 -7.022 -10.382 -2.498 1.00 2.11 H new ATOM 0 HB2 MET A 60 -8.728 -10.807 -4.961 1.00 72.24 H new ATOM 0 HB3 MET A 60 -7.074 -10.246 -5.110 1.00 72.24 H new ATOM 0 HG2 MET A 60 -6.815 -12.541 -5.317 1.00 63.32 H new ATOM 0 HG3 MET A 60 -6.471 -12.298 -3.616 1.00 63.32 H new ATOM 0 HE1 MET A 60 -8.290 -15.549 -2.927 1.00 21.50 H new ATOM 0 HE2 MET A 60 -6.928 -15.134 -3.995 1.00 21.50 H new ATOM 0 HE3 MET A 60 -7.052 -14.392 -2.382 1.00 21.50 H new ATOM 933 N ILE A 61 -9.033 -7.999 -3.441 1.00 52.40 N ATOM 934 CA ILE A 61 -9.149 -6.559 -3.636 1.00 42.31 C ATOM 935 C ILE A 61 -8.876 -5.805 -2.339 1.00 13.31 C ATOM 936 O ILE A 61 -8.482 -4.639 -2.358 1.00 4.31 O ATOM 937 CB ILE A 61 -10.545 -6.172 -4.158 1.00 50.41 C ATOM 938 CG1 ILE A 61 -10.717 -6.631 -5.607 1.00 71.43 C ATOM 939 CG2 ILE A 61 -10.755 -4.669 -4.045 1.00 20.10 C ATOM 940 CD1 ILE A 61 -12.069 -6.288 -6.194 1.00 23.34 C ATOM 0 H ILE A 61 -9.925 -8.493 -3.406 1.00 52.40 H new ATOM 0 HA ILE A 61 -8.402 -6.280 -4.380 1.00 42.31 H new ATOM 0 HB ILE A 61 -11.296 -6.672 -3.546 1.00 50.41 H new ATOM 0 HG12 ILE A 61 -9.938 -6.175 -6.219 1.00 71.43 H new ATOM 0 HG13 ILE A 61 -10.571 -7.710 -5.657 1.00 71.43 H new ATOM 0 HG21 ILE A 61 -11.746 -4.411 -4.418 1.00 20.10 H new ATOM 0 HG22 ILE A 61 -10.670 -4.367 -3.001 1.00 20.10 H new ATOM 0 HG23 ILE A 61 -9.999 -4.151 -4.635 1.00 20.10 H new ATOM 0 HD11 ILE A 61 -12.120 -6.643 -7.223 1.00 23.34 H new ATOM 0 HD12 ILE A 61 -12.853 -6.766 -5.606 1.00 23.34 H new ATOM 0 HD13 ILE A 61 -12.210 -5.207 -6.176 1.00 23.34 H new ATOM 952 N ASP A 62 -9.088 -6.479 -1.214 1.00 1.51 N ATOM 953 CA ASP A 62 -8.862 -5.874 0.094 1.00 54.53 C ATOM 954 C ASP A 62 -7.388 -5.531 0.287 1.00 14.01 C ATOM 955 O ASP A 62 -7.048 -4.418 0.686 1.00 42.12 O ATOM 956 CB ASP A 62 -9.329 -6.817 1.203 1.00 13.03 C ATOM 957 CG ASP A 62 -9.572 -6.094 2.514 1.00 73.24 C ATOM 958 OD1 ASP A 62 -10.230 -5.033 2.492 1.00 5.22 O ATOM 959 OD2 ASP A 62 -9.105 -6.590 3.560 1.00 5.55 O ATOM 0 H ASP A 62 -9.416 -7.444 -1.181 1.00 1.51 H new ATOM 0 HA ASP A 62 -9.440 -4.951 0.145 1.00 54.53 H new ATOM 0 HB2 ASP A 62 -10.247 -7.314 0.890 1.00 13.03 H new ATOM 0 HB3 ASP A 62 -8.580 -7.595 1.354 1.00 13.03 H new ATOM 964 N GLU A 63 -6.519 -6.496 0.003 1.00 75.13 N ATOM 965 CA GLU A 63 -5.082 -6.296 0.148 1.00 74.14 C ATOM 966 C GLU A 63 -4.554 -5.350 -0.926 1.00 43.43 C ATOM 967 O GLU A 63 -3.513 -4.715 -0.753 1.00 12.02 O ATOM 968 CB GLU A 63 -4.348 -7.636 0.068 1.00 30.22 C ATOM 969 CG GLU A 63 -3.351 -7.852 1.195 1.00 53.34 C ATOM 970 CD GLU A 63 -2.250 -8.825 0.821 1.00 42.52 C ATOM 971 OE1 GLU A 63 -1.741 -8.735 -0.316 1.00 71.24 O ATOM 972 OE2 GLU A 63 -1.897 -9.675 1.664 1.00 1.33 O ATOM 0 H GLU A 63 -6.785 -7.423 -0.329 1.00 75.13 H new ATOM 0 HA GLU A 63 -4.900 -5.848 1.125 1.00 74.14 H new ATOM 0 HB2 GLU A 63 -5.080 -8.443 0.082 1.00 30.22 H new ATOM 0 HB3 GLU A 63 -3.824 -7.698 -0.886 1.00 30.22 H new ATOM 0 HG2 GLU A 63 -2.907 -6.895 1.471 1.00 53.34 H new ATOM 0 HG3 GLU A 63 -3.877 -8.225 2.074 1.00 53.34 H new ATOM 979 N VAL A 64 -5.278 -5.260 -2.037 1.00 73.51 N ATOM 980 CA VAL A 64 -4.884 -4.392 -3.140 1.00 2.23 C ATOM 981 C VAL A 64 -5.295 -2.948 -2.876 1.00 12.21 C ATOM 982 O VAL A 64 -4.523 -2.018 -3.112 1.00 70.51 O ATOM 983 CB VAL A 64 -5.505 -4.856 -4.470 1.00 73.32 C ATOM 984 CG1 VAL A 64 -5.202 -3.859 -5.578 1.00 72.22 C ATOM 985 CG2 VAL A 64 -5.001 -6.244 -4.838 1.00 12.34 C ATOM 0 H VAL A 64 -6.142 -5.778 -2.197 1.00 73.51 H new ATOM 0 HA VAL A 64 -3.798 -4.450 -3.216 1.00 2.23 H new ATOM 0 HB VAL A 64 -6.587 -4.908 -4.347 1.00 73.32 H new ATOM 0 HG11 VAL A 64 -5.649 -4.204 -6.510 1.00 72.22 H new ATOM 0 HG12 VAL A 64 -5.617 -2.886 -5.315 1.00 72.22 H new ATOM 0 HG13 VAL A 64 -4.123 -3.772 -5.704 1.00 72.22 H new ATOM 0 HG21 VAL A 64 -5.450 -6.556 -5.781 1.00 12.34 H new ATOM 0 HG22 VAL A 64 -3.916 -6.221 -4.943 1.00 12.34 H new ATOM 0 HG23 VAL A 64 -5.275 -6.950 -4.054 1.00 12.34 H new ATOM 995 N ASP A 65 -6.516 -2.767 -2.384 1.00 50.35 N ATOM 996 CA ASP A 65 -7.031 -1.435 -2.086 1.00 64.24 C ATOM 997 C ASP A 65 -6.303 -0.826 -0.892 1.00 30.32 C ATOM 998 O ASP A 65 -6.654 -1.086 0.259 1.00 71.35 O ATOM 999 CB ASP A 65 -8.533 -1.496 -1.807 1.00 71.42 C ATOM 1000 CG ASP A 65 -9.211 -0.153 -1.991 1.00 33.02 C ATOM 1001 OD1 ASP A 65 -8.502 0.875 -1.993 1.00 22.10 O ATOM 1002 OD2 ASP A 65 -10.452 -0.130 -2.133 1.00 44.41 O ATOM 0 H ASP A 65 -7.168 -3.526 -2.183 1.00 50.35 H new ATOM 0 HA ASP A 65 -6.857 -0.802 -2.956 1.00 64.24 H new ATOM 0 HB2 ASP A 65 -8.994 -2.226 -2.472 1.00 71.42 H new ATOM 0 HB3 ASP A 65 -8.696 -1.846 -0.788 1.00 71.42 H new ATOM 1007 N GLU A 66 -5.287 -0.016 -1.174 1.00 35.12 N ATOM 1008 CA GLU A 66 -4.510 0.628 -0.122 1.00 22.43 C ATOM 1009 C GLU A 66 -5.388 1.553 0.715 1.00 11.32 C ATOM 1010 O GLU A 66 -5.185 1.697 1.921 1.00 61.10 O ATOM 1011 CB GLU A 66 -3.348 1.418 -0.727 1.00 0.42 C ATOM 1012 CG GLU A 66 -3.787 2.654 -1.494 1.00 0.55 C ATOM 1013 CD GLU A 66 -3.899 3.881 -0.609 1.00 23.23 C ATOM 1014 OE1 GLU A 66 -3.648 3.758 0.609 1.00 73.12 O ATOM 1015 OE2 GLU A 66 -4.236 4.963 -1.133 1.00 35.42 O ATOM 0 H GLU A 66 -4.983 0.209 -2.121 1.00 35.12 H new ATOM 0 HA GLU A 66 -4.111 -0.151 0.528 1.00 22.43 H new ATOM 0 HB2 GLU A 66 -2.669 1.718 0.071 1.00 0.42 H new ATOM 0 HB3 GLU A 66 -2.786 0.766 -1.396 1.00 0.42 H new ATOM 0 HG2 GLU A 66 -3.075 2.852 -2.295 1.00 0.55 H new ATOM 0 HG3 GLU A 66 -4.751 2.461 -1.965 1.00 0.55 H new ATOM 1022 N ASP A 67 -6.364 2.179 0.067 1.00 70.04 N ATOM 1023 CA ASP A 67 -7.274 3.091 0.750 1.00 74.41 C ATOM 1024 C ASP A 67 -8.545 2.366 1.182 1.00 15.45 C ATOM 1025 O ASP A 67 -9.374 2.922 1.903 1.00 60.24 O ATOM 1026 CB ASP A 67 -7.628 4.269 -0.159 1.00 70.32 C ATOM 1027 CG ASP A 67 -7.978 3.829 -1.567 1.00 72.31 C ATOM 1028 OD1 ASP A 67 -9.127 3.388 -1.783 1.00 22.20 O ATOM 1029 OD2 ASP A 67 -7.104 3.926 -2.453 1.00 51.04 O ATOM 0 H ASP A 67 -6.545 2.072 -0.931 1.00 70.04 H new ATOM 0 HA ASP A 67 -6.771 3.468 1.640 1.00 74.41 H new ATOM 0 HB2 ASP A 67 -8.470 4.814 0.268 1.00 70.32 H new ATOM 0 HB3 ASP A 67 -6.787 4.961 -0.196 1.00 70.32 H new ATOM 1034 N GLY A 68 -8.693 1.122 0.737 1.00 41.44 N ATOM 1035 CA GLY A 68 -9.866 0.343 1.087 1.00 41.02 C ATOM 1036 C GLY A 68 -11.159 1.085 0.810 1.00 25.25 C ATOM 1037 O GLY A 68 -12.098 1.026 1.604 1.00 3.11 O ATOM 0 H GLY A 68 -8.021 0.640 0.140 1.00 41.44 H new ATOM 0 HA2 GLY A 68 -9.859 -0.591 0.525 1.00 41.02 H new ATOM 0 HA3 GLY A 68 -9.821 0.079 2.144 1.00 41.02 H new ATOM 1041 N SER A 69 -11.207 1.787 -0.317 1.00 60.54 N ATOM 1042 CA SER A 69 -12.392 2.548 -0.694 1.00 33.13 C ATOM 1043 C SER A 69 -13.490 1.623 -1.211 1.00 50.44 C ATOM 1044 O SER A 69 -14.607 2.060 -1.487 1.00 4.44 O ATOM 1045 CB SER A 69 -12.040 3.587 -1.760 1.00 22.20 C ATOM 1046 OG SER A 69 -11.435 2.976 -2.887 1.00 13.22 O ATOM 0 H SER A 69 -10.439 1.845 -0.985 1.00 60.54 H new ATOM 0 HA SER A 69 -12.762 3.061 0.194 1.00 33.13 H new ATOM 0 HB2 SER A 69 -12.942 4.115 -2.069 1.00 22.20 H new ATOM 0 HB3 SER A 69 -11.364 4.330 -1.338 1.00 22.20 H new ATOM 0 HG SER A 69 -10.483 2.827 -2.707 1.00 13.22 H new ATOM 1052 N GLY A 70 -13.163 0.341 -1.342 1.00 2.25 N ATOM 1053 CA GLY A 70 -14.130 -0.626 -1.826 1.00 14.20 C ATOM 1054 C GLY A 70 -13.910 -0.988 -3.281 1.00 45.12 C ATOM 1055 O GLY A 70 -14.568 -1.882 -3.814 1.00 23.32 O ATOM 0 H GLY A 70 -12.245 -0.045 -1.121 1.00 2.25 H new ATOM 0 HA2 GLY A 70 -14.072 -1.529 -1.218 1.00 14.20 H new ATOM 0 HA3 GLY A 70 -15.135 -0.223 -1.703 1.00 14.20 H new ATOM 1059 N THR A 71 -12.981 -0.291 -3.929 1.00 11.43 N ATOM 1060 CA THR A 71 -12.677 -0.541 -5.332 1.00 31.11 C ATOM 1061 C THR A 71 -11.188 -0.373 -5.610 1.00 42.24 C ATOM 1062 O THR A 71 -10.420 0.007 -4.727 1.00 3.15 O ATOM 1063 CB THR A 71 -13.470 0.402 -6.256 1.00 13.33 C ATOM 1064 OG1 THR A 71 -13.218 1.766 -5.897 1.00 62.52 O ATOM 1065 CG2 THR A 71 -14.962 0.118 -6.168 1.00 31.41 C ATOM 0 H THR A 71 -12.426 0.452 -3.503 1.00 11.43 H new ATOM 0 HA THR A 71 -12.969 -1.570 -5.540 1.00 31.11 H new ATOM 0 HB THR A 71 -13.143 0.229 -7.281 1.00 13.33 H new ATOM 0 HG1 THR A 71 -14.006 2.310 -6.107 1.00 62.52 H new ATOM 0 HG21 THR A 71 -15.501 0.796 -6.829 1.00 31.41 H new ATOM 0 HG22 THR A 71 -15.155 -0.912 -6.469 1.00 31.41 H new ATOM 0 HG23 THR A 71 -15.301 0.266 -5.142 1.00 31.41 H new ATOM 1073 N VAL A 72 -10.785 -0.657 -6.845 1.00 35.41 N ATOM 1074 CA VAL A 72 -9.387 -0.536 -7.241 1.00 14.55 C ATOM 1075 C VAL A 72 -9.138 0.774 -7.980 1.00 62.24 C ATOM 1076 O VAL A 72 -9.931 1.179 -8.830 1.00 43.44 O ATOM 1077 CB VAL A 72 -8.954 -1.710 -8.137 1.00 65.15 C ATOM 1078 CG1 VAL A 72 -9.192 -1.380 -9.603 1.00 14.31 C ATOM 1079 CG2 VAL A 72 -7.493 -2.056 -7.892 1.00 22.23 C ATOM 0 H VAL A 72 -11.408 -0.973 -7.589 1.00 35.41 H new ATOM 0 HA VAL A 72 -8.795 -0.551 -6.326 1.00 14.55 H new ATOM 0 HB VAL A 72 -9.559 -2.580 -7.882 1.00 65.15 H new ATOM 0 HG11 VAL A 72 -8.880 -2.222 -10.221 1.00 14.31 H new ATOM 0 HG12 VAL A 72 -10.252 -1.185 -9.765 1.00 14.31 H new ATOM 0 HG13 VAL A 72 -8.615 -0.496 -9.875 1.00 14.31 H new ATOM 0 HG21 VAL A 72 -7.204 -2.888 -8.534 1.00 22.23 H new ATOM 0 HG22 VAL A 72 -6.871 -1.190 -8.118 1.00 22.23 H new ATOM 0 HG23 VAL A 72 -7.356 -2.338 -6.848 1.00 22.23 H new ATOM 1089 N ASP A 73 -8.031 1.431 -7.652 1.00 21.31 N ATOM 1090 CA ASP A 73 -7.675 2.695 -8.286 1.00 61.54 C ATOM 1091 C ASP A 73 -6.664 2.474 -9.408 1.00 33.14 C ATOM 1092 O ASP A 73 -6.307 1.338 -9.721 1.00 54.13 O ATOM 1093 CB ASP A 73 -7.104 3.666 -7.252 1.00 60.02 C ATOM 1094 CG ASP A 73 -8.180 4.282 -6.381 1.00 15.33 C ATOM 1095 OD1 ASP A 73 -8.944 3.520 -5.751 1.00 63.33 O ATOM 1096 OD2 ASP A 73 -8.259 5.527 -6.327 1.00 53.32 O ATOM 0 H ASP A 73 -7.364 1.109 -6.950 1.00 21.31 H new ATOM 0 HA ASP A 73 -8.580 3.125 -8.716 1.00 61.54 H new ATOM 0 HB2 ASP A 73 -6.387 3.140 -6.621 1.00 60.02 H new ATOM 0 HB3 ASP A 73 -6.558 4.458 -7.764 1.00 60.02 H new ATOM 1101 N PHE A 74 -6.207 3.567 -10.009 1.00 13.30 N ATOM 1102 CA PHE A 74 -5.239 3.493 -11.097 1.00 52.51 C ATOM 1103 C PHE A 74 -3.906 2.942 -10.602 1.00 25.31 C ATOM 1104 O PHE A 74 -3.301 2.082 -11.243 1.00 43.10 O ATOM 1105 CB PHE A 74 -5.033 4.876 -11.719 1.00 3.10 C ATOM 1106 CG PHE A 74 -4.954 4.853 -13.219 1.00 4.23 C ATOM 1107 CD1 PHE A 74 -4.336 3.802 -13.877 1.00 71.10 C ATOM 1108 CD2 PHE A 74 -5.497 5.882 -13.970 1.00 53.42 C ATOM 1109 CE1 PHE A 74 -4.261 3.779 -15.257 1.00 34.21 C ATOM 1110 CE2 PHE A 74 -5.426 5.865 -15.350 1.00 70.55 C ATOM 1111 CZ PHE A 74 -4.808 4.811 -15.995 1.00 31.35 C ATOM 0 H PHE A 74 -6.491 4.515 -9.761 1.00 13.30 H new ATOM 0 HA PHE A 74 -5.633 2.816 -11.855 1.00 52.51 H new ATOM 0 HB2 PHE A 74 -5.853 5.527 -11.416 1.00 3.10 H new ATOM 0 HB3 PHE A 74 -4.116 5.311 -11.321 1.00 3.10 H new ATOM 0 HD1 PHE A 74 -3.908 2.992 -13.305 1.00 71.10 H new ATOM 0 HD2 PHE A 74 -5.982 6.708 -13.471 1.00 53.42 H new ATOM 0 HE1 PHE A 74 -3.775 2.955 -15.758 1.00 34.21 H new ATOM 0 HE2 PHE A 74 -5.853 6.674 -15.923 1.00 70.55 H new ATOM 0 HZ PHE A 74 -4.753 4.794 -17.073 1.00 31.35 H new ATOM 1121 N ASP A 75 -3.453 3.443 -9.458 1.00 32.32 N ATOM 1122 CA ASP A 75 -2.192 3.001 -8.875 1.00 65.43 C ATOM 1123 C ASP A 75 -2.268 1.534 -8.463 1.00 64.22 C ATOM 1124 O ASP A 75 -1.352 0.756 -8.731 1.00 12.32 O ATOM 1125 CB ASP A 75 -1.833 3.865 -7.666 1.00 10.14 C ATOM 1126 CG ASP A 75 -1.398 5.262 -8.061 1.00 43.42 C ATOM 1127 OD1 ASP A 75 -1.167 5.493 -9.267 1.00 13.41 O ATOM 1128 OD2 ASP A 75 -1.288 6.125 -7.165 1.00 53.23 O ATOM 0 H ASP A 75 -3.941 4.156 -8.916 1.00 32.32 H new ATOM 0 HA ASP A 75 -1.414 3.108 -9.631 1.00 65.43 H new ATOM 0 HB2 ASP A 75 -2.694 3.930 -7.001 1.00 10.14 H new ATOM 0 HB3 ASP A 75 -1.033 3.384 -7.104 1.00 10.14 H new ATOM 1133 N GLU A 76 -3.365 1.164 -7.810 1.00 23.11 N ATOM 1134 CA GLU A 76 -3.558 -0.209 -7.359 1.00 73.33 C ATOM 1135 C GLU A 76 -3.756 -1.149 -8.546 1.00 4.53 C ATOM 1136 O GLU A 76 -3.273 -2.281 -8.541 1.00 44.23 O ATOM 1137 CB GLU A 76 -4.763 -0.296 -6.420 1.00 30.40 C ATOM 1138 CG GLU A 76 -4.675 0.643 -5.229 1.00 31.33 C ATOM 1139 CD GLU A 76 -6.037 1.112 -4.754 1.00 23.42 C ATOM 1140 OE1 GLU A 76 -7.043 0.457 -5.100 1.00 3.15 O ATOM 1141 OE2 GLU A 76 -6.097 2.132 -4.037 1.00 44.31 O ATOM 0 H GLU A 76 -4.133 1.795 -7.582 1.00 23.11 H new ATOM 0 HA GLU A 76 -2.662 -0.516 -6.819 1.00 73.33 H new ATOM 0 HB2 GLU A 76 -5.669 -0.071 -6.983 1.00 30.40 H new ATOM 0 HB3 GLU A 76 -4.858 -1.320 -6.059 1.00 30.40 H new ATOM 0 HG2 GLU A 76 -4.163 0.138 -4.410 1.00 31.33 H new ATOM 0 HG3 GLU A 76 -4.070 1.509 -5.498 1.00 31.33 H new ATOM 1148 N TRP A 77 -4.468 -0.670 -9.559 1.00 35.02 N ATOM 1149 CA TRP A 77 -4.731 -1.467 -10.752 1.00 43.31 C ATOM 1150 C TRP A 77 -3.446 -1.712 -11.536 1.00 30.43 C ATOM 1151 O TRP A 77 -3.277 -2.763 -12.156 1.00 42.02 O ATOM 1152 CB TRP A 77 -5.759 -0.767 -11.642 1.00 13.32 C ATOM 1153 CG TRP A 77 -6.140 -1.565 -12.852 1.00 23.44 C ATOM 1154 CD1 TRP A 77 -7.278 -2.299 -13.024 1.00 74.34 C ATOM 1155 CD2 TRP A 77 -5.379 -1.712 -14.056 1.00 11.42 C ATOM 1156 NE1 TRP A 77 -7.271 -2.893 -14.264 1.00 35.15 N ATOM 1157 CE2 TRP A 77 -6.118 -2.547 -14.916 1.00 62.51 C ATOM 1158 CE3 TRP A 77 -4.147 -1.216 -14.492 1.00 34.31 C ATOM 1159 CZ2 TRP A 77 -5.663 -2.898 -16.184 1.00 62.14 C ATOM 1160 CZ3 TRP A 77 -3.697 -1.565 -15.751 1.00 31.51 C ATOM 1161 CH2 TRP A 77 -4.453 -2.399 -16.586 1.00 14.04 C ATOM 0 H TRP A 77 -4.874 0.266 -9.579 1.00 35.02 H new ATOM 0 HA TRP A 77 -5.131 -2.430 -10.435 1.00 43.31 H new ATOM 0 HB2 TRP A 77 -6.654 -0.559 -11.056 1.00 13.32 H new ATOM 0 HB3 TRP A 77 -5.357 0.194 -11.962 1.00 13.32 H new ATOM 0 HD1 TRP A 77 -8.067 -2.398 -12.294 1.00 74.34 H new ATOM 0 HE1 TRP A 77 -8.006 -3.494 -14.638 1.00 35.15 H new ATOM 0 HE3 TRP A 77 -3.558 -0.572 -13.856 1.00 34.31 H new ATOM 0 HZ2 TRP A 77 -6.244 -3.541 -16.828 1.00 62.14 H new ATOM 0 HZ3 TRP A 77 -2.746 -1.188 -16.098 1.00 31.51 H new ATOM 0 HH2 TRP A 77 -4.074 -2.653 -17.565 1.00 14.04 H new ATOM 1172 N LEU A 78 -2.543 -0.739 -11.504 1.00 12.54 N ATOM 1173 CA LEU A 78 -1.272 -0.850 -12.211 1.00 52.21 C ATOM 1174 C LEU A 78 -0.329 -1.806 -11.489 1.00 22.23 C ATOM 1175 O LEU A 78 0.248 -2.706 -12.100 1.00 43.40 O ATOM 1176 CB LEU A 78 -0.618 0.526 -12.344 1.00 40.53 C ATOM 1177 CG LEU A 78 -0.502 1.080 -13.765 1.00 70.20 C ATOM 1178 CD1 LEU A 78 -1.460 2.244 -13.964 1.00 43.31 C ATOM 1179 CD2 LEU A 78 0.929 1.508 -14.055 1.00 40.24 C ATOM 0 H LEU A 78 -2.667 0.137 -10.996 1.00 12.54 H new ATOM 0 HA LEU A 78 -1.472 -1.248 -13.206 1.00 52.21 H new ATOM 0 HB2 LEU A 78 -1.187 1.236 -11.744 1.00 40.53 H new ATOM 0 HB3 LEU A 78 0.382 0.474 -11.913 1.00 40.53 H new ATOM 0 HG LEU A 78 -0.773 0.290 -14.466 1.00 70.20 H new ATOM 0 HD11 LEU A 78 -1.363 2.625 -14.981 1.00 43.31 H new ATOM 0 HD12 LEU A 78 -2.483 1.906 -13.799 1.00 43.31 H new ATOM 0 HD13 LEU A 78 -1.221 3.037 -13.255 1.00 43.31 H new ATOM 0 HD21 LEU A 78 0.993 1.900 -15.070 1.00 40.24 H new ATOM 0 HD22 LEU A 78 1.228 2.282 -13.348 1.00 40.24 H new ATOM 0 HD23 LEU A 78 1.593 0.649 -13.955 1.00 40.24 H new ATOM 1191 N VAL A 79 -0.178 -1.607 -10.183 1.00 71.11 N ATOM 1192 CA VAL A 79 0.692 -2.454 -9.376 1.00 45.31 C ATOM 1193 C VAL A 79 0.157 -3.879 -9.301 1.00 31.13 C ATOM 1194 O VAL A 79 0.921 -4.833 -9.161 1.00 21.44 O ATOM 1195 CB VAL A 79 0.848 -1.899 -7.948 1.00 33.14 C ATOM 1196 CG1 VAL A 79 1.483 -0.517 -7.977 1.00 60.42 C ATOM 1197 CG2 VAL A 79 -0.500 -1.861 -7.242 1.00 45.52 C ATOM 0 H VAL A 79 -0.647 -0.866 -9.662 1.00 71.11 H new ATOM 0 HA VAL A 79 1.667 -2.461 -9.863 1.00 45.31 H new ATOM 0 HB VAL A 79 1.508 -2.563 -7.389 1.00 33.14 H new ATOM 0 HG11 VAL A 79 1.585 -0.142 -6.959 1.00 60.42 H new ATOM 0 HG12 VAL A 79 2.467 -0.579 -8.441 1.00 60.42 H new ATOM 0 HG13 VAL A 79 0.853 0.161 -8.552 1.00 60.42 H new ATOM 0 HG21 VAL A 79 -0.372 -1.466 -6.234 1.00 45.52 H new ATOM 0 HG22 VAL A 79 -1.184 -1.220 -7.798 1.00 45.52 H new ATOM 0 HG23 VAL A 79 -0.911 -2.869 -7.187 1.00 45.52 H new ATOM 1207 N MET A 80 -1.162 -4.016 -9.395 1.00 43.43 N ATOM 1208 CA MET A 80 -1.800 -5.326 -9.339 1.00 41.34 C ATOM 1209 C MET A 80 -1.194 -6.270 -10.373 1.00 22.13 C ATOM 1210 O MET A 80 -0.996 -7.455 -10.104 1.00 1.54 O ATOM 1211 CB MET A 80 -3.306 -5.193 -9.574 1.00 21.53 C ATOM 1212 CG MET A 80 -4.013 -6.527 -9.753 1.00 25.31 C ATOM 1213 SD MET A 80 -5.804 -6.389 -9.608 1.00 34.10 S ATOM 1214 CE MET A 80 -6.096 -4.848 -10.473 1.00 72.21 C ATOM 0 H MET A 80 -1.809 -3.236 -9.510 1.00 43.43 H new ATOM 0 HA MET A 80 -1.629 -5.744 -8.347 1.00 41.34 H new ATOM 0 HB2 MET A 80 -3.752 -4.665 -8.731 1.00 21.53 H new ATOM 0 HB3 MET A 80 -3.475 -4.580 -10.459 1.00 21.53 H new ATOM 0 HG2 MET A 80 -3.762 -6.938 -10.731 1.00 25.31 H new ATOM 0 HG3 MET A 80 -3.645 -7.232 -9.007 1.00 25.31 H new ATOM 0 HE1 MET A 80 -7.140 -4.796 -10.781 1.00 72.21 H new ATOM 0 HE2 MET A 80 -5.871 -4.011 -9.812 1.00 72.21 H new ATOM 0 HE3 MET A 80 -5.455 -4.798 -11.353 1.00 72.21 H new ATOM 1224 N MET A 81 -0.902 -5.738 -11.555 1.00 2.11 N ATOM 1225 CA MET A 81 -0.317 -6.534 -12.628 1.00 33.33 C ATOM 1226 C MET A 81 1.095 -6.981 -12.265 1.00 63.42 C ATOM 1227 O MET A 81 1.490 -8.112 -12.548 1.00 21.22 O ATOM 1228 CB MET A 81 -0.293 -5.734 -13.931 1.00 42.40 C ATOM 1229 CG MET A 81 -0.607 -6.567 -15.163 1.00 33.35 C ATOM 1230 SD MET A 81 -2.378 -6.714 -15.468 1.00 51.24 S ATOM 1231 CE MET A 81 -2.832 -4.992 -15.661 1.00 11.13 C ATOM 0 H MET A 81 -1.061 -4.759 -11.794 1.00 2.11 H new ATOM 0 HA MET A 81 -0.935 -7.421 -12.767 1.00 33.33 H new ATOM 0 HB2 MET A 81 -1.014 -4.919 -13.860 1.00 42.40 H new ATOM 0 HB3 MET A 81 0.691 -5.280 -14.051 1.00 42.40 H new ATOM 0 HG2 MET A 81 -0.128 -6.117 -16.033 1.00 33.35 H new ATOM 0 HG3 MET A 81 -0.179 -7.562 -15.043 1.00 33.35 H new ATOM 0 HE1 MET A 81 -3.445 -4.875 -16.555 1.00 11.13 H new ATOM 0 HE2 MET A 81 -3.397 -4.665 -14.788 1.00 11.13 H new ATOM 0 HE3 MET A 81 -1.931 -4.387 -15.758 1.00 11.13 H new ATOM 1241 N ALA A 82 1.852 -6.086 -11.639 1.00 30.44 N ATOM 1242 CA ALA A 82 3.220 -6.390 -11.236 1.00 53.04 C ATOM 1243 C ALA A 82 3.273 -7.649 -10.377 1.00 53.15 C ATOM 1244 O ALA A 82 4.291 -8.339 -10.333 1.00 62.14 O ATOM 1245 CB ALA A 82 3.823 -5.212 -10.487 1.00 3.52 C ATOM 0 H ALA A 82 1.541 -5.144 -11.400 1.00 30.44 H new ATOM 0 HA ALA A 82 3.806 -6.572 -12.137 1.00 53.04 H new ATOM 0 HB1 ALA A 82 4.844 -5.453 -10.192 1.00 3.52 H new ATOM 0 HB2 ALA A 82 3.829 -4.334 -11.134 1.00 3.52 H new ATOM 0 HB3 ALA A 82 3.228 -5.003 -9.598 1.00 3.52 H new ATOM 1251 N ARG A 83 2.170 -7.941 -9.696 1.00 20.51 N ATOM 1252 CA ARG A 83 2.092 -9.117 -8.837 1.00 2.35 C ATOM 1253 C ARG A 83 2.250 -10.397 -9.651 1.00 60.21 C ATOM 1254 O ARG A 83 2.657 -11.433 -9.124 1.00 61.55 O ATOM 1255 CB ARG A 83 0.760 -9.138 -8.085 1.00 73.34 C ATOM 1256 CG ARG A 83 0.455 -7.844 -7.349 1.00 33.21 C ATOM 1257 CD ARG A 83 -0.981 -7.814 -6.847 1.00 44.43 C ATOM 1258 NE ARG A 83 -1.216 -8.805 -5.801 1.00 70.34 N ATOM 1259 CZ ARG A 83 -0.884 -8.623 -4.528 1.00 73.40 C ATOM 1260 NH1 ARG A 83 -0.306 -7.493 -4.145 1.00 72.31 N ATOM 1261 NH2 ARG A 83 -1.131 -9.573 -3.635 1.00 11.03 N ATOM 0 H ARG A 83 1.318 -7.380 -9.722 1.00 20.51 H new ATOM 0 HA ARG A 83 2.908 -9.064 -8.116 1.00 2.35 H new ATOM 0 HB2 ARG A 83 -0.044 -9.342 -8.793 1.00 73.34 H new ATOM 0 HB3 ARG A 83 0.770 -9.960 -7.369 1.00 73.34 H new ATOM 0 HG2 ARG A 83 1.138 -7.733 -6.507 1.00 33.21 H new ATOM 0 HG3 ARG A 83 0.627 -6.997 -8.013 1.00 33.21 H new ATOM 0 HD2 ARG A 83 -1.210 -6.820 -6.463 1.00 44.43 H new ATOM 0 HD3 ARG A 83 -1.660 -7.998 -7.680 1.00 44.43 H new ATOM 0 HE ARG A 83 -1.660 -9.686 -6.062 1.00 70.34 H new ATOM 0 HH11 ARG A 83 -0.115 -6.761 -4.829 1.00 72.31 H new ATOM 0 HH12 ARG A 83 -0.052 -7.356 -3.167 1.00 72.31 H new ATOM 0 HH21 ARG A 83 -1.576 -10.443 -3.926 1.00 11.03 H new ATOM 0 HH22 ARG A 83 -0.876 -9.433 -2.657 1.00 11.03 H new ATOM 1275 N CYS A 84 1.925 -10.318 -10.937 1.00 31.24 N ATOM 1276 CA CYS A 84 2.029 -11.471 -11.824 1.00 23.10 C ATOM 1277 C CYS A 84 3.487 -11.774 -12.153 1.00 45.53 C ATOM 1278 O CYS A 84 3.811 -12.852 -12.650 1.00 10.00 O ATOM 1279 CB CYS A 84 1.244 -11.222 -13.112 1.00 51.04 C ATOM 1280 SG CYS A 84 0.965 -12.707 -14.106 1.00 1.22 S ATOM 0 H CYS A 84 1.587 -9.468 -11.388 1.00 31.24 H new ATOM 0 HA CYS A 84 1.605 -12.333 -11.310 1.00 23.10 H new ATOM 0 HB2 CYS A 84 0.280 -10.782 -12.858 1.00 51.04 H new ATOM 0 HB3 CYS A 84 1.780 -10.489 -13.715 1.00 51.04 H new ATOM 0 HG CYS A 84 1.992 -13.498 -14.003 1.00 1.22 H new ATOM 1286 N MET A 85 4.363 -10.813 -11.875 1.00 30.34 N ATOM 1287 CA MET A 85 5.787 -10.977 -12.142 1.00 22.21 C ATOM 1288 C MET A 85 6.439 -11.868 -11.089 1.00 71.55 C ATOM 1289 O MET A 85 7.155 -12.814 -11.419 1.00 23.00 O ATOM 1290 CB MET A 85 6.482 -9.615 -12.174 1.00 51.51 C ATOM 1291 CG MET A 85 6.054 -8.742 -13.343 1.00 10.44 C ATOM 1292 SD MET A 85 7.399 -7.722 -13.977 1.00 60.34 S ATOM 1293 CE MET A 85 7.622 -8.433 -15.606 1.00 44.54 C ATOM 0 H MET A 85 4.111 -9.913 -11.465 1.00 30.34 H new ATOM 0 HA MET A 85 5.895 -11.456 -13.115 1.00 22.21 H new ATOM 0 HB2 MET A 85 6.274 -9.088 -11.243 1.00 51.51 H new ATOM 0 HB3 MET A 85 7.560 -9.767 -12.221 1.00 51.51 H new ATOM 0 HG2 MET A 85 5.675 -9.376 -14.145 1.00 10.44 H new ATOM 0 HG3 MET A 85 5.232 -8.099 -13.029 1.00 10.44 H new ATOM 0 HE1 MET A 85 8.423 -7.908 -16.126 1.00 44.54 H new ATOM 0 HE2 MET A 85 7.882 -9.487 -15.510 1.00 44.54 H new ATOM 0 HE3 MET A 85 6.697 -8.337 -16.174 1.00 44.54 H new