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 Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.0621 (180deg=-0.363) USER MOD Single : A 11 GLN : amide:sc= -0.692 K(o=-0.69,f=-1.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 16 GLN : amide:sc= -0.982 K(o=-0.98,f=-3.9!) USER MOD Single : A 17 LYS NZ :NH3+ 142:sc= 0.155 (180deg=-2.17!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -3:sc= 0.0548 USER MOD Single : A 37 SER OG : rot 180:sc= -0.034 USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.45 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 45 MET CE :methyl -169:sc= -4.57! (180deg=-4.73!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.62) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 58 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.1) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -107:sc= 0.191 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 154:sc= -1.41 (180deg=-2.45) USER MOD Single : A 81 MET CE :methyl -115:sc= -0.95 (180deg=-1.85!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 7.266 -3.207 -5.261 1.00 13.54 N ATOM 62 CA TYR A 5 6.444 -3.441 -6.442 1.00 45.04 C ATOM 63 C TYR A 5 6.476 -2.235 -7.376 1.00 44.20 C ATOM 64 O TYR A 5 6.588 -2.379 -8.594 1.00 24.34 O ATOM 65 CB TYR A 5 5.002 -3.746 -6.035 1.00 22.34 C ATOM 66 CG TYR A 5 4.847 -5.052 -5.289 1.00 24.34 C ATOM 67 CD1 TYR A 5 5.521 -6.195 -5.702 1.00 34.34 C ATOM 68 CD2 TYR A 5 4.028 -5.143 -4.170 1.00 3.22 C ATOM 69 CE1 TYR A 5 5.381 -7.391 -5.023 1.00 44.44 C ATOM 70 CE2 TYR A 5 3.884 -6.334 -3.485 1.00 2.35 C ATOM 71 CZ TYR A 5 4.562 -7.455 -3.915 1.00 43.25 C ATOM 72 OH TYR A 5 4.422 -8.643 -3.236 1.00 61.43 O ATOM 0 HA TYR A 5 6.854 -4.300 -6.973 1.00 45.04 H new ATOM 0 HB2 TYR A 5 4.630 -2.934 -5.410 1.00 22.34 H new ATOM 0 HB3 TYR A 5 4.379 -3.772 -6.929 1.00 22.34 H new ATOM 0 HD1 TYR A 5 6.165 -6.148 -6.568 1.00 34.34 H new ATOM 0 HD2 TYR A 5 3.495 -4.267 -3.830 1.00 3.22 H new ATOM 0 HE1 TYR A 5 5.910 -8.271 -5.358 1.00 44.44 H new ATOM 0 HE2 TYR A 5 3.244 -6.387 -2.617 1.00 2.35 H new ATOM 0 HH TYR A 5 3.811 -8.518 -2.480 1.00 61.43 H new ATOM 82 N LYS A 6 6.378 -1.043 -6.796 1.00 73.41 N ATOM 83 CA LYS A 6 6.397 0.190 -7.573 1.00 52.21 C ATOM 84 C LYS A 6 7.728 0.355 -8.300 1.00 32.11 C ATOM 85 O LYS A 6 7.807 1.033 -9.324 1.00 74.50 O ATOM 86 CB LYS A 6 6.149 1.395 -6.662 1.00 75.34 C ATOM 87 CG LYS A 6 7.402 1.905 -5.973 1.00 22.41 C ATOM 88 CD LYS A 6 8.066 3.014 -6.771 1.00 53.14 C ATOM 89 CE LYS A 6 7.500 4.378 -6.407 1.00 10.11 C ATOM 90 NZ LYS A 6 7.893 4.792 -5.032 1.00 2.25 N ATOM 0 H LYS A 6 6.285 -0.905 -5.790 1.00 73.41 H new ATOM 0 HA LYS A 6 5.602 0.134 -8.316 1.00 52.21 H new ATOM 0 HB2 LYS A 6 5.715 2.202 -7.252 1.00 75.34 H new ATOM 0 HB3 LYS A 6 5.414 1.122 -5.905 1.00 75.34 H new ATOM 0 HG2 LYS A 6 7.147 2.273 -4.979 1.00 22.41 H new ATOM 0 HG3 LYS A 6 8.104 1.082 -5.838 1.00 22.41 H new ATOM 0 HD2 LYS A 6 9.140 3.004 -6.586 1.00 53.14 H new ATOM 0 HD3 LYS A 6 7.924 2.832 -7.836 1.00 53.14 H new ATOM 0 HE2 LYS A 6 7.851 5.120 -7.124 1.00 10.11 H new ATOM 0 HE3 LYS A 6 6.413 4.352 -6.482 1.00 10.11 H new ATOM 0 HZ1 LYS A 6 7.825 5.826 -4.948 1.00 2.25 H new ATOM 0 HZ2 LYS A 6 7.257 4.346 -4.340 1.00 2.25 H new ATOM 0 HZ3 LYS A 6 8.871 4.493 -4.846 1.00 2.25 H new ATOM 104 N ALA A 7 8.771 -0.270 -7.764 1.00 32.51 N ATOM 105 CA ALA A 7 10.097 -0.196 -8.364 1.00 2.23 C ATOM 106 C ALA A 7 10.123 -0.882 -9.725 1.00 43.24 C ATOM 107 O ALA A 7 10.679 -0.352 -10.687 1.00 64.30 O ATOM 108 CB ALA A 7 11.131 -0.818 -7.437 1.00 62.02 C ATOM 0 H ALA A 7 8.723 -0.833 -6.915 1.00 32.51 H new ATOM 0 HA ALA A 7 10.344 0.855 -8.512 1.00 2.23 H new ATOM 0 HB1 ALA A 7 12.117 -0.756 -7.898 1.00 62.02 H new ATOM 0 HB2 ALA A 7 11.139 -0.281 -6.489 1.00 62.02 H new ATOM 0 HB3 ALA A 7 10.879 -1.863 -7.260 1.00 62.02 H new ATOM 114 N ALA A 8 9.519 -2.063 -9.799 1.00 70.13 N ATOM 115 CA ALA A 8 9.472 -2.821 -11.044 1.00 3.33 C ATOM 116 C ALA A 8 8.380 -2.292 -11.967 1.00 62.35 C ATOM 117 O ALA A 8 8.462 -2.436 -13.187 1.00 51.55 O ATOM 118 CB ALA A 8 9.252 -4.298 -10.754 1.00 61.11 C ATOM 0 H ALA A 8 9.055 -2.516 -9.012 1.00 70.13 H new ATOM 0 HA ALA A 8 10.429 -2.701 -11.551 1.00 3.33 H new ATOM 0 HB1 ALA A 8 9.219 -4.852 -11.692 1.00 61.11 H new ATOM 0 HB2 ALA A 8 10.070 -4.674 -10.139 1.00 61.11 H new ATOM 0 HB3 ALA A 8 8.309 -4.428 -10.223 1.00 61.11 H new ATOM 124 N VAL A 9 7.357 -1.681 -11.378 1.00 63.21 N ATOM 125 CA VAL A 9 6.249 -1.131 -12.149 1.00 14.24 C ATOM 126 C VAL A 9 6.662 0.146 -12.872 1.00 23.12 C ATOM 127 O VAL A 9 6.365 0.326 -14.052 1.00 61.32 O ATOM 128 CB VAL A 9 5.036 -0.828 -11.249 1.00 34.21 C ATOM 129 CG1 VAL A 9 3.935 -0.148 -12.048 1.00 15.11 C ATOM 130 CG2 VAL A 9 4.523 -2.105 -10.599 1.00 2.51 C ATOM 0 H VAL A 9 7.273 -1.555 -10.369 1.00 63.21 H new ATOM 0 HA VAL A 9 5.969 -1.886 -12.883 1.00 14.24 H new ATOM 0 HB VAL A 9 5.353 -0.147 -10.459 1.00 34.21 H new ATOM 0 HG11 VAL A 9 3.086 0.058 -11.396 1.00 15.11 H new ATOM 0 HG12 VAL A 9 4.311 0.788 -12.462 1.00 15.11 H new ATOM 0 HG13 VAL A 9 3.618 -0.802 -12.860 1.00 15.11 H new ATOM 0 HG21 VAL A 9 3.666 -1.873 -9.967 1.00 2.51 H new ATOM 0 HG22 VAL A 9 4.222 -2.812 -11.373 1.00 2.51 H new ATOM 0 HG23 VAL A 9 5.313 -2.547 -9.992 1.00 2.51 H new ATOM 140 N GLU A 10 7.350 1.029 -12.155 1.00 42.20 N ATOM 141 CA GLU A 10 7.804 2.290 -12.729 1.00 43.25 C ATOM 142 C GLU A 10 8.867 2.050 -13.798 1.00 74.23 C ATOM 143 O GLU A 10 9.022 2.847 -14.723 1.00 4.34 O ATOM 144 CB GLU A 10 8.363 3.203 -11.636 1.00 21.44 C ATOM 145 CG GLU A 10 7.296 3.997 -10.902 1.00 10.22 C ATOM 146 CD GLU A 10 7.783 5.366 -10.467 1.00 23.31 C ATOM 147 OE1 GLU A 10 9.001 5.517 -10.236 1.00 20.44 O ATOM 148 OE2 GLU A 10 6.946 6.286 -10.358 1.00 70.02 O ATOM 0 H GLU A 10 7.605 0.894 -11.177 1.00 42.20 H new ATOM 0 HA GLU A 10 6.947 2.776 -13.195 1.00 43.25 H new ATOM 0 HB2 GLU A 10 8.914 2.598 -10.916 1.00 21.44 H new ATOM 0 HB3 GLU A 10 9.077 3.896 -12.083 1.00 21.44 H new ATOM 0 HG2 GLU A 10 6.426 4.113 -11.548 1.00 10.22 H new ATOM 0 HG3 GLU A 10 6.969 3.436 -10.026 1.00 10.22 H new ATOM 155 N GLN A 11 9.594 0.946 -13.663 1.00 61.24 N ATOM 156 CA GLN A 11 10.642 0.601 -14.617 1.00 4.04 C ATOM 157 C GLN A 11 10.084 -0.243 -15.758 1.00 3.31 C ATOM 158 O GLN A 11 10.838 -0.817 -16.546 1.00 15.34 O ATOM 159 CB GLN A 11 11.772 -0.154 -13.914 1.00 10.24 C ATOM 160 CG GLN A 11 11.507 -1.643 -13.764 1.00 23.23 C ATOM 161 CD GLN A 11 12.581 -2.349 -12.959 1.00 42.23 C ATOM 162 OE1 GLN A 11 13.139 -1.785 -12.017 1.00 53.24 O ATOM 163 NE2 GLN A 11 12.877 -3.590 -13.327 1.00 43.11 N ATOM 0 H GLN A 11 9.477 0.275 -12.903 1.00 61.24 H new ATOM 0 HA GLN A 11 11.037 1.527 -15.034 1.00 4.04 H new ATOM 0 HB2 GLN A 11 12.696 -0.012 -14.475 1.00 10.24 H new ATOM 0 HB3 GLN A 11 11.929 0.280 -12.926 1.00 10.24 H new ATOM 0 HG2 GLN A 11 10.541 -1.789 -13.281 1.00 23.23 H new ATOM 0 HG3 GLN A 11 11.441 -2.098 -14.752 1.00 23.23 H new ATOM 0 HE21 GLN A 11 12.390 -4.019 -14.114 1.00 43.11 H new ATOM 0 HE22 GLN A 11 13.592 -4.115 -12.823 1.00 43.11 H new ATOM 172 N LEU A 12 8.760 -0.314 -15.841 1.00 64.34 N ATOM 173 CA LEU A 12 8.101 -1.089 -16.887 1.00 15.40 C ATOM 174 C LEU A 12 8.315 -0.450 -18.255 1.00 41.33 C ATOM 175 O LEU A 12 8.955 0.596 -18.371 1.00 53.34 O ATOM 176 CB LEU A 12 6.604 -1.205 -16.595 1.00 15.01 C ATOM 177 CG LEU A 12 6.206 -2.218 -15.521 1.00 20.30 C ATOM 178 CD1 LEU A 12 4.732 -2.078 -15.174 1.00 71.35 C ATOM 179 CD2 LEU A 12 6.515 -3.635 -15.984 1.00 13.31 C ATOM 0 H LEU A 12 8.122 0.155 -15.198 1.00 64.34 H new ATOM 0 HA LEU A 12 8.542 -2.086 -16.899 1.00 15.40 H new ATOM 0 HB2 LEU A 12 6.236 -0.224 -16.295 1.00 15.01 H new ATOM 0 HB3 LEU A 12 6.093 -1.468 -17.521 1.00 15.01 H new ATOM 0 HG LEU A 12 6.790 -2.015 -14.623 1.00 20.30 H new ATOM 0 HD11 LEU A 12 4.468 -2.807 -14.408 1.00 71.35 H new ATOM 0 HD12 LEU A 12 4.540 -1.073 -14.799 1.00 71.35 H new ATOM 0 HD13 LEU A 12 4.130 -2.254 -16.066 1.00 71.35 H new ATOM 0 HD21 LEU A 12 6.225 -4.343 -15.207 1.00 13.31 H new ATOM 0 HD22 LEU A 12 5.958 -3.849 -16.896 1.00 13.31 H new ATOM 0 HD23 LEU A 12 7.583 -3.729 -16.180 1.00 13.31 H new ATOM 191 N THR A 13 7.774 -1.085 -19.291 1.00 2.43 N ATOM 192 CA THR A 13 7.905 -0.578 -20.651 1.00 21.30 C ATOM 193 C THR A 13 6.663 0.200 -21.070 1.00 3.54 C ATOM 194 O THR A 13 5.592 0.038 -20.486 1.00 4.32 O ATOM 195 CB THR A 13 8.143 -1.721 -21.656 1.00 21.55 C ATOM 196 OG1 THR A 13 8.153 -1.206 -22.991 1.00 51.23 O ATOM 197 CG2 THR A 13 7.066 -2.788 -21.526 1.00 64.32 C ATOM 0 H THR A 13 7.241 -1.951 -19.213 1.00 2.43 H new ATOM 0 HA THR A 13 8.768 0.088 -20.658 1.00 21.30 H new ATOM 0 HB THR A 13 9.110 -2.174 -21.435 1.00 21.55 H new ATOM 0 HG1 THR A 13 8.307 -1.939 -23.623 1.00 51.23 H new ATOM 0 HG21 THR A 13 7.255 -3.585 -22.245 1.00 64.32 H new ATOM 0 HG22 THR A 13 7.081 -3.199 -20.517 1.00 64.32 H new ATOM 0 HG23 THR A 13 6.090 -2.345 -21.723 1.00 64.32 H new ATOM 205 N GLU A 14 6.815 1.046 -22.085 1.00 35.43 N ATOM 206 CA GLU A 14 5.704 1.849 -22.581 1.00 14.35 C ATOM 207 C GLU A 14 4.483 0.977 -22.861 1.00 64.21 C ATOM 208 O GLU A 14 3.348 1.381 -22.611 1.00 45.11 O ATOM 209 CB GLU A 14 6.113 2.597 -23.851 1.00 60.55 C ATOM 210 CG GLU A 14 7.307 3.517 -23.659 1.00 32.42 C ATOM 211 CD GLU A 14 7.914 3.968 -24.973 1.00 74.01 C ATOM 212 OE1 GLU A 14 7.418 3.534 -26.034 1.00 42.44 O ATOM 213 OE2 GLU A 14 8.883 4.754 -24.941 1.00 23.14 O ATOM 0 H GLU A 14 7.695 1.192 -22.579 1.00 35.43 H new ATOM 0 HA GLU A 14 5.441 2.574 -21.810 1.00 14.35 H new ATOM 0 HB2 GLU A 14 6.346 1.872 -24.630 1.00 60.55 H new ATOM 0 HB3 GLU A 14 5.266 3.184 -24.205 1.00 60.55 H new ATOM 0 HG2 GLU A 14 6.998 4.392 -23.087 1.00 32.42 H new ATOM 0 HG3 GLU A 14 8.066 3.002 -23.070 1.00 32.42 H new ATOM 220 N GLU A 15 4.727 -0.221 -23.383 1.00 23.44 N ATOM 221 CA GLU A 15 3.649 -1.150 -23.698 1.00 74.35 C ATOM 222 C GLU A 15 2.939 -1.612 -22.429 1.00 10.01 C ATOM 223 O GLU A 15 1.712 -1.700 -22.389 1.00 41.30 O ATOM 224 CB GLU A 15 4.194 -2.360 -24.460 1.00 20.32 C ATOM 225 CG GLU A 15 5.156 -1.993 -25.577 1.00 61.31 C ATOM 226 CD GLU A 15 5.306 -3.098 -26.605 1.00 35.33 C ATOM 227 OE1 GLU A 15 5.507 -4.262 -26.198 1.00 72.14 O ATOM 228 OE2 GLU A 15 5.222 -2.800 -27.814 1.00 54.12 O ATOM 0 H GLU A 15 5.661 -0.570 -23.596 1.00 23.44 H new ATOM 0 HA GLU A 15 2.928 -0.628 -24.327 1.00 74.35 H new ATOM 0 HB2 GLU A 15 4.701 -3.022 -23.758 1.00 20.32 H new ATOM 0 HB3 GLU A 15 3.359 -2.920 -24.881 1.00 20.32 H new ATOM 0 HG2 GLU A 15 4.804 -1.087 -26.071 1.00 61.31 H new ATOM 0 HG3 GLU A 15 6.132 -1.764 -25.150 1.00 61.31 H new ATOM 235 N GLN A 16 3.720 -1.906 -21.395 1.00 5.12 N ATOM 236 CA GLN A 16 3.167 -2.360 -20.124 1.00 42.24 C ATOM 237 C GLN A 16 2.258 -1.297 -19.516 1.00 21.11 C ATOM 238 O GLN A 16 1.120 -1.579 -19.141 1.00 53.11 O ATOM 239 CB GLN A 16 4.293 -2.705 -19.148 1.00 11.11 C ATOM 240 CG GLN A 16 4.854 -4.105 -19.336 1.00 74.23 C ATOM 241 CD GLN A 16 4.002 -5.169 -18.673 1.00 34.22 C ATOM 242 OE1 GLN A 16 2.825 -5.330 -18.997 1.00 54.21 O ATOM 243 NE2 GLN A 16 4.593 -5.904 -17.738 1.00 11.42 N ATOM 0 H GLN A 16 4.738 -1.838 -21.412 1.00 5.12 H new ATOM 0 HA GLN A 16 2.574 -3.255 -20.313 1.00 42.24 H new ATOM 0 HB2 GLN A 16 5.099 -1.981 -19.266 1.00 11.11 H new ATOM 0 HB3 GLN A 16 3.922 -2.605 -18.128 1.00 11.11 H new ATOM 0 HG2 GLN A 16 4.933 -4.320 -20.402 1.00 74.23 H new ATOM 0 HG3 GLN A 16 5.863 -4.146 -18.926 1.00 74.23 H new ATOM 0 HE21 GLN A 16 5.571 -5.737 -17.500 1.00 11.42 H new ATOM 0 HE22 GLN A 16 4.069 -6.636 -17.258 1.00 11.42 H new ATOM 252 N LYS A 17 2.768 -0.074 -19.420 1.00 1.11 N ATOM 253 CA LYS A 17 2.003 1.033 -18.858 1.00 32.32 C ATOM 254 C LYS A 17 0.776 1.335 -19.712 1.00 42.45 C ATOM 255 O LYS A 17 -0.298 1.631 -19.190 1.00 62.14 O ATOM 256 CB LYS A 17 2.880 2.281 -18.746 1.00 3.54 C ATOM 257 CG LYS A 17 4.212 2.029 -18.061 1.00 45.31 C ATOM 258 CD LYS A 17 4.023 1.561 -16.628 1.00 3.41 C ATOM 259 CE LYS A 17 4.864 2.378 -15.659 1.00 45.42 C ATOM 260 NZ LYS A 17 6.312 2.333 -16.007 1.00 53.30 N ATOM 0 H LYS A 17 3.709 0.176 -19.724 1.00 1.11 H new ATOM 0 HA LYS A 17 1.668 0.742 -17.862 1.00 32.32 H new ATOM 0 HB2 LYS A 17 3.064 2.676 -19.745 1.00 3.54 H new ATOM 0 HB3 LYS A 17 2.337 3.048 -18.194 1.00 3.54 H new ATOM 0 HG2 LYS A 17 4.773 1.279 -18.619 1.00 45.31 H new ATOM 0 HG3 LYS A 17 4.806 2.943 -18.071 1.00 45.31 H new ATOM 0 HD2 LYS A 17 2.971 1.640 -16.354 1.00 3.41 H new ATOM 0 HD3 LYS A 17 4.295 0.508 -16.549 1.00 3.41 H new ATOM 0 HE2 LYS A 17 4.521 3.413 -15.664 1.00 45.42 H new ATOM 0 HE3 LYS A 17 4.722 2.000 -14.647 1.00 45.42 H new ATOM 0 HZ1 LYS A 17 6.739 3.266 -15.836 1.00 53.30 H new ATOM 0 HZ2 LYS A 17 6.789 1.620 -15.418 1.00 53.30 H new ATOM 0 HZ3 LYS A 17 6.420 2.082 -17.010 1.00 53.30 H new ATOM 274 N ASN A 18 0.944 1.258 -21.029 1.00 10.43 N ATOM 275 CA ASN A 18 -0.150 1.523 -21.955 1.00 54.55 C ATOM 276 C ASN A 18 -1.242 0.465 -21.826 1.00 3.35 C ATOM 277 O ASN A 18 -2.430 0.773 -21.907 1.00 34.15 O ATOM 278 CB ASN A 18 0.370 1.562 -23.394 1.00 33.21 C ATOM 279 CG ASN A 18 -0.723 1.296 -24.411 1.00 71.21 C ATOM 280 OD1 ASN A 18 -1.599 2.133 -24.631 1.00 21.40 O ATOM 281 ND2 ASN A 18 -0.676 0.126 -25.037 1.00 74.42 N ATOM 0 H ASN A 18 1.827 1.014 -21.478 1.00 10.43 H new ATOM 0 HA ASN A 18 -0.578 2.493 -21.703 1.00 54.55 H new ATOM 0 HB2 ASN A 18 0.815 2.537 -23.590 1.00 33.21 H new ATOM 0 HB3 ASN A 18 1.161 0.821 -23.512 1.00 33.21 H new ATOM 0 HD21 ASN A 18 -1.384 -0.109 -25.732 1.00 74.42 H new ATOM 0 HD22 ASN A 18 0.069 -0.537 -24.823 1.00 74.42 H new ATOM 288 N GLU A 19 -0.828 -0.782 -21.623 1.00 12.21 N ATOM 289 CA GLU A 19 -1.771 -1.885 -21.482 1.00 31.10 C ATOM 290 C GLU A 19 -2.612 -1.724 -20.219 1.00 53.11 C ATOM 291 O GLU A 19 -3.840 -1.802 -20.263 1.00 72.34 O ATOM 292 CB GLU A 19 -1.025 -3.221 -21.444 1.00 55.22 C ATOM 293 CG GLU A 19 -0.669 -3.758 -22.820 1.00 73.11 C ATOM 294 CD GLU A 19 -1.766 -4.623 -23.411 1.00 11.33 C ATOM 295 OE1 GLU A 19 -2.945 -4.404 -23.062 1.00 74.02 O ATOM 296 OE2 GLU A 19 -1.446 -5.518 -24.220 1.00 42.55 O ATOM 0 H GLU A 19 0.153 -1.053 -21.553 1.00 12.21 H new ATOM 0 HA GLU A 19 -2.437 -1.873 -22.345 1.00 31.10 H new ATOM 0 HB2 GLU A 19 -0.111 -3.101 -20.862 1.00 55.22 H new ATOM 0 HB3 GLU A 19 -1.639 -3.956 -20.924 1.00 55.22 H new ATOM 0 HG2 GLU A 19 -0.469 -2.923 -23.491 1.00 73.11 H new ATOM 0 HG3 GLU A 19 0.250 -4.340 -22.752 1.00 73.11 H new ATOM 303 N PHE A 20 -1.942 -1.499 -19.094 1.00 14.33 N ATOM 304 CA PHE A 20 -2.627 -1.328 -17.818 1.00 0.25 C ATOM 305 C PHE A 20 -3.446 -0.040 -17.808 1.00 23.24 C ATOM 306 O PHE A 20 -4.581 -0.016 -17.331 1.00 4.21 O ATOM 307 CB PHE A 20 -1.615 -1.311 -16.670 1.00 40.10 C ATOM 308 CG PHE A 20 -0.658 -2.468 -16.697 1.00 72.44 C ATOM 309 CD1 PHE A 20 -1.060 -3.705 -17.176 1.00 61.11 C ATOM 310 CD2 PHE A 20 0.643 -2.320 -16.245 1.00 11.20 C ATOM 311 CE1 PHE A 20 -0.182 -4.772 -17.202 1.00 3.04 C ATOM 312 CE2 PHE A 20 1.526 -3.383 -16.268 1.00 72.14 C ATOM 313 CZ PHE A 20 1.113 -4.610 -16.748 1.00 60.54 C ATOM 0 H PHE A 20 -0.926 -1.431 -19.040 1.00 14.33 H new ATOM 0 HA PHE A 20 -3.306 -2.170 -17.683 1.00 0.25 H new ATOM 0 HB2 PHE A 20 -1.049 -0.381 -16.709 1.00 40.10 H new ATOM 0 HB3 PHE A 20 -2.153 -1.317 -15.722 1.00 40.10 H new ATOM 0 HD1 PHE A 20 -2.071 -3.837 -17.533 1.00 61.11 H new ATOM 0 HD2 PHE A 20 0.971 -1.362 -15.870 1.00 11.20 H new ATOM 0 HE1 PHE A 20 -0.508 -5.731 -17.577 1.00 3.04 H new ATOM 0 HE2 PHE A 20 2.537 -3.254 -15.911 1.00 72.14 H new ATOM 0 HZ PHE A 20 1.801 -5.442 -16.769 1.00 60.54 H new ATOM 323 N LYS A 21 -2.861 1.029 -18.337 1.00 14.31 N ATOM 324 CA LYS A 21 -3.535 2.321 -18.391 1.00 3.50 C ATOM 325 C LYS A 21 -4.750 2.264 -19.310 1.00 73.45 C ATOM 326 O LYS A 21 -5.821 2.768 -18.972 1.00 44.12 O ATOM 327 CB LYS A 21 -2.567 3.404 -18.875 1.00 31.03 C ATOM 328 CG LYS A 21 -3.139 4.809 -18.800 1.00 34.14 C ATOM 329 CD LYS A 21 -2.157 5.840 -19.328 1.00 5.42 C ATOM 330 CE LYS A 21 -2.141 5.868 -20.848 1.00 63.35 C ATOM 331 NZ LYS A 21 -1.676 7.181 -21.375 1.00 21.11 N ATOM 0 H LYS A 21 -1.922 1.026 -18.734 1.00 14.31 H new ATOM 0 HA LYS A 21 -3.874 2.567 -17.385 1.00 3.50 H new ATOM 0 HB2 LYS A 21 -1.657 3.359 -18.277 1.00 31.03 H new ATOM 0 HB3 LYS A 21 -2.283 3.191 -19.905 1.00 31.03 H new ATOM 0 HG2 LYS A 21 -4.063 4.858 -19.376 1.00 34.14 H new ATOM 0 HG3 LYS A 21 -3.394 5.044 -17.767 1.00 34.14 H new ATOM 0 HD2 LYS A 21 -2.424 6.826 -18.948 1.00 5.42 H new ATOM 0 HD3 LYS A 21 -1.157 5.615 -18.957 1.00 5.42 H new ATOM 0 HE2 LYS A 21 -1.489 5.077 -21.219 1.00 63.35 H new ATOM 0 HE3 LYS A 21 -3.142 5.659 -21.225 1.00 63.35 H new ATOM 0 HZ1 LYS A 21 -1.680 7.159 -22.415 1.00 21.11 H new ATOM 0 HZ2 LYS A 21 -2.312 7.934 -21.043 1.00 21.11 H new ATOM 0 HZ3 LYS A 21 -0.711 7.369 -21.036 1.00 21.11 H new ATOM 345 N ALA A 22 -4.578 1.644 -20.474 1.00 1.24 N ATOM 346 CA ALA A 22 -5.662 1.517 -21.440 1.00 0.43 C ATOM 347 C ALA A 22 -6.731 0.551 -20.941 1.00 52.04 C ATOM 348 O ALA A 22 -7.914 0.888 -20.897 1.00 42.22 O ATOM 349 CB ALA A 22 -5.119 1.059 -22.785 1.00 70.00 C ATOM 0 H ALA A 22 -3.698 1.222 -20.770 1.00 1.24 H new ATOM 0 HA ALA A 22 -6.124 2.497 -21.562 1.00 0.43 H new ATOM 0 HB1 ALA A 22 -5.939 0.968 -23.497 1.00 70.00 H new ATOM 0 HB2 ALA A 22 -4.398 1.788 -23.154 1.00 70.00 H new ATOM 0 HB3 ALA A 22 -4.630 0.092 -22.670 1.00 70.00 H new ATOM 355 N ALA A 23 -6.307 -0.652 -20.568 1.00 12.10 N ATOM 356 CA ALA A 23 -7.229 -1.666 -20.072 1.00 25.54 C ATOM 357 C ALA A 23 -8.034 -1.144 -18.887 1.00 73.01 C ATOM 358 O ALA A 23 -9.170 -1.564 -18.662 1.00 43.43 O ATOM 359 CB ALA A 23 -6.467 -2.925 -19.681 1.00 14.31 C ATOM 0 H ALA A 23 -5.331 -0.948 -20.600 1.00 12.10 H new ATOM 0 HA ALA A 23 -7.927 -1.910 -20.873 1.00 25.54 H new ATOM 0 HB1 ALA A 23 -7.167 -3.674 -19.312 1.00 14.31 H new ATOM 0 HB2 ALA A 23 -5.941 -3.317 -20.552 1.00 14.31 H new ATOM 0 HB3 ALA A 23 -5.746 -2.686 -18.899 1.00 14.31 H new ATOM 365 N PHE A 24 -7.440 -0.227 -18.132 1.00 3.44 N ATOM 366 CA PHE A 24 -8.102 0.352 -16.968 1.00 50.14 C ATOM 367 C PHE A 24 -9.338 1.144 -17.384 1.00 73.14 C ATOM 368 O PHE A 24 -10.344 1.164 -16.674 1.00 42.03 O ATOM 369 CB PHE A 24 -7.136 1.259 -16.203 1.00 64.33 C ATOM 370 CG PHE A 24 -7.722 1.835 -14.947 1.00 14.53 C ATOM 371 CD1 PHE A 24 -7.776 1.085 -13.783 1.00 65.12 C ATOM 372 CD2 PHE A 24 -8.220 3.128 -14.929 1.00 15.31 C ATOM 373 CE1 PHE A 24 -8.316 1.613 -12.626 1.00 3.21 C ATOM 374 CE2 PHE A 24 -8.762 3.662 -13.774 1.00 45.03 C ATOM 375 CZ PHE A 24 -8.808 2.904 -12.621 1.00 72.41 C ATOM 0 H PHE A 24 -6.501 0.132 -18.305 1.00 3.44 H new ATOM 0 HA PHE A 24 -8.416 -0.464 -16.317 1.00 50.14 H new ATOM 0 HB2 PHE A 24 -6.241 0.691 -15.949 1.00 64.33 H new ATOM 0 HB3 PHE A 24 -6.822 2.074 -16.855 1.00 64.33 H new ATOM 0 HD1 PHE A 24 -7.391 0.076 -13.780 1.00 65.12 H new ATOM 0 HD2 PHE A 24 -8.184 3.726 -15.828 1.00 15.31 H new ATOM 0 HE1 PHE A 24 -8.353 1.017 -11.726 1.00 3.21 H new ATOM 0 HE2 PHE A 24 -9.149 4.670 -13.774 1.00 45.03 H new ATOM 0 HZ PHE A 24 -9.228 3.319 -11.717 1.00 72.41 H new ATOM 385 N ASP A 25 -9.255 1.795 -18.539 1.00 52.13 N ATOM 386 CA ASP A 25 -10.367 2.588 -19.051 1.00 44.44 C ATOM 387 C ASP A 25 -11.553 1.697 -19.404 1.00 14.12 C ATOM 388 O ASP A 25 -12.700 2.021 -19.092 1.00 3.40 O ATOM 389 CB ASP A 25 -9.928 3.385 -20.281 1.00 53.12 C ATOM 390 CG ASP A 25 -10.842 4.561 -20.565 1.00 75.35 C ATOM 391 OD1 ASP A 25 -11.996 4.327 -20.984 1.00 4.43 O ATOM 392 OD2 ASP A 25 -10.404 5.714 -20.371 1.00 15.14 O ATOM 0 H ASP A 25 -8.430 1.789 -19.138 1.00 52.13 H new ATOM 0 HA ASP A 25 -10.677 3.281 -18.269 1.00 44.44 H new ATOM 0 HB2 ASP A 25 -8.911 3.747 -20.132 1.00 53.12 H new ATOM 0 HB3 ASP A 25 -9.908 2.726 -21.149 1.00 53.12 H new ATOM 397 N ILE A 26 -11.271 0.574 -20.056 1.00 4.42 N ATOM 398 CA ILE A 26 -12.315 -0.363 -20.450 1.00 62.02 C ATOM 399 C ILE A 26 -12.975 -0.996 -19.230 1.00 11.30 C ATOM 400 O ILE A 26 -14.147 -1.373 -19.270 1.00 44.51 O ATOM 401 CB ILE A 26 -11.758 -1.478 -21.355 1.00 23.34 C ATOM 402 CG1 ILE A 26 -11.254 -0.891 -22.674 1.00 42.34 C ATOM 403 CG2 ILE A 26 -12.823 -2.534 -21.611 1.00 1.12 C ATOM 404 CD1 ILE A 26 -9.748 -0.928 -22.817 1.00 13.03 C ATOM 0 H ILE A 26 -10.328 0.291 -20.322 1.00 4.42 H new ATOM 0 HA ILE A 26 -13.058 0.208 -21.006 1.00 62.02 H new ATOM 0 HB ILE A 26 -10.919 -1.952 -20.847 1.00 23.34 H new ATOM 0 HG12 ILE A 26 -11.703 -1.440 -23.502 1.00 42.34 H new ATOM 0 HG13 ILE A 26 -11.593 0.142 -22.756 1.00 42.34 H new ATOM 0 HG21 ILE A 26 -12.414 -3.315 -22.252 1.00 1.12 H new ATOM 0 HG22 ILE A 26 -13.138 -2.970 -20.663 1.00 1.12 H new ATOM 0 HG23 ILE A 26 -13.681 -2.074 -22.102 1.00 1.12 H new ATOM 0 HD11 ILE A 26 -9.463 -0.496 -23.776 1.00 13.03 H new ATOM 0 HD12 ILE A 26 -9.292 -0.354 -22.010 1.00 13.03 H new ATOM 0 HD13 ILE A 26 -9.403 -1.961 -22.768 1.00 13.03 H new ATOM 416 N PHE A 27 -12.216 -1.108 -18.145 1.00 13.21 N ATOM 417 CA PHE A 27 -12.728 -1.694 -16.912 1.00 23.15 C ATOM 418 C PHE A 27 -13.576 -0.686 -16.141 1.00 23.30 C ATOM 419 O PHE A 27 -14.615 -1.033 -15.580 1.00 54.22 O ATOM 420 CB PHE A 27 -11.572 -2.180 -16.035 1.00 65.53 C ATOM 421 CG PHE A 27 -11.082 -3.554 -16.396 1.00 52.25 C ATOM 422 CD1 PHE A 27 -10.754 -3.865 -17.706 1.00 54.54 C ATOM 423 CD2 PHE A 27 -10.949 -4.534 -15.426 1.00 54.21 C ATOM 424 CE1 PHE A 27 -10.305 -5.128 -18.041 1.00 43.34 C ATOM 425 CE2 PHE A 27 -10.500 -5.799 -15.755 1.00 42.22 C ATOM 426 CZ PHE A 27 -10.176 -6.096 -17.065 1.00 0.45 C ATOM 0 H PHE A 27 -11.245 -0.801 -18.095 1.00 13.21 H new ATOM 0 HA PHE A 27 -13.357 -2.544 -17.177 1.00 23.15 H new ATOM 0 HB2 PHE A 27 -10.744 -1.475 -16.115 1.00 65.53 H new ATOM 0 HB3 PHE A 27 -11.892 -2.179 -14.993 1.00 65.53 H new ATOM 0 HD1 PHE A 27 -10.850 -3.112 -18.474 1.00 54.54 H new ATOM 0 HD2 PHE A 27 -11.199 -4.307 -14.400 1.00 54.21 H new ATOM 0 HE1 PHE A 27 -10.055 -5.358 -19.066 1.00 43.34 H new ATOM 0 HE2 PHE A 27 -10.403 -6.554 -14.989 1.00 42.22 H new ATOM 0 HZ PHE A 27 -9.823 -7.083 -17.325 1.00 0.45 H new ATOM 436 N VAL A 28 -13.123 0.563 -16.117 1.00 52.44 N ATOM 437 CA VAL A 28 -13.839 1.623 -15.417 1.00 33.42 C ATOM 438 C VAL A 28 -14.931 2.222 -16.296 1.00 13.14 C ATOM 439 O VAL A 28 -15.585 3.195 -15.916 1.00 71.30 O ATOM 440 CB VAL A 28 -12.884 2.744 -14.968 1.00 2.05 C ATOM 441 CG1 VAL A 28 -11.751 2.176 -14.126 1.00 74.40 C ATOM 442 CG2 VAL A 28 -12.338 3.494 -16.174 1.00 34.34 C ATOM 0 H VAL A 28 -12.263 0.866 -16.574 1.00 52.44 H new ATOM 0 HA VAL A 28 -14.294 1.169 -14.536 1.00 33.42 H new ATOM 0 HB VAL A 28 -13.444 3.449 -14.353 1.00 2.05 H new ATOM 0 HG11 VAL A 28 -11.086 2.983 -13.818 1.00 74.40 H new ATOM 0 HG12 VAL A 28 -12.163 1.688 -13.243 1.00 74.40 H new ATOM 0 HG13 VAL A 28 -11.190 1.449 -14.713 1.00 74.40 H new ATOM 0 HG21 VAL A 28 -11.665 4.283 -15.838 1.00 34.34 H new ATOM 0 HG22 VAL A 28 -11.794 2.802 -16.817 1.00 34.34 H new ATOM 0 HG23 VAL A 28 -13.164 3.935 -16.732 1.00 34.34 H new ATOM 452 N LEU A 29 -15.125 1.636 -17.472 1.00 24.22 N ATOM 453 CA LEU A 29 -16.139 2.111 -18.406 1.00 41.43 C ATOM 454 C LEU A 29 -17.515 2.138 -17.749 1.00 51.11 C ATOM 455 O LEU A 29 -18.396 2.893 -18.159 1.00 5.31 O ATOM 456 CB LEU A 29 -16.172 1.221 -19.650 1.00 12.40 C ATOM 457 CG LEU A 29 -15.437 1.757 -20.879 1.00 1.52 C ATOM 458 CD1 LEU A 29 -15.523 0.765 -22.028 1.00 33.23 C ATOM 459 CD2 LEU A 29 -16.005 3.107 -21.294 1.00 22.14 C ATOM 0 H LEU A 29 -14.593 0.831 -17.801 1.00 24.22 H new ATOM 0 HA LEU A 29 -15.878 3.127 -18.701 1.00 41.43 H new ATOM 0 HB2 LEU A 29 -15.745 0.252 -19.390 1.00 12.40 H new ATOM 0 HB3 LEU A 29 -17.214 1.048 -19.921 1.00 12.40 H new ATOM 0 HG LEU A 29 -14.387 1.891 -20.620 1.00 1.52 H new ATOM 0 HD11 LEU A 29 -14.994 1.164 -22.894 1.00 33.23 H new ATOM 0 HD12 LEU A 29 -15.068 -0.179 -21.728 1.00 33.23 H new ATOM 0 HD13 LEU A 29 -16.569 0.598 -22.287 1.00 33.23 H new ATOM 0 HD21 LEU A 29 -15.470 3.473 -22.170 1.00 22.14 H new ATOM 0 HD22 LEU A 29 -17.063 2.998 -21.534 1.00 22.14 H new ATOM 0 HD23 LEU A 29 -15.890 3.817 -20.475 1.00 22.14 H new ATOM 471 N GLY A 30 -17.692 1.309 -16.725 1.00 34.03 N ATOM 472 CA GLY A 30 -18.963 1.255 -16.026 1.00 30.23 C ATOM 473 C GLY A 30 -19.049 2.267 -14.900 1.00 73.25 C ATOM 474 O GLY A 30 -20.137 2.725 -14.551 1.00 44.21 O ATOM 0 H GLY A 30 -16.978 0.674 -16.367 1.00 34.03 H new ATOM 0 HA2 GLY A 30 -19.772 1.435 -16.734 1.00 30.23 H new ATOM 0 HA3 GLY A 30 -19.110 0.253 -15.622 1.00 30.23 H new ATOM 478 N ALA A 31 -17.900 2.615 -14.330 1.00 54.05 N ATOM 479 CA ALA A 31 -17.851 3.579 -13.238 1.00 42.25 C ATOM 480 C ALA A 31 -18.081 4.998 -13.748 1.00 33.11 C ATOM 481 O ALA A 31 -18.113 5.236 -14.955 1.00 31.33 O ATOM 482 CB ALA A 31 -16.516 3.487 -12.513 1.00 54.13 C ATOM 0 H ALA A 31 -16.991 2.244 -14.606 1.00 54.05 H new ATOM 0 HA ALA A 31 -18.650 3.338 -12.537 1.00 42.25 H new ATOM 0 HB1 ALA A 31 -16.493 4.212 -11.700 1.00 54.13 H new ATOM 0 HB2 ALA A 31 -16.391 2.483 -12.107 1.00 54.13 H new ATOM 0 HB3 ALA A 31 -15.707 3.700 -13.212 1.00 54.13 H new ATOM 488 N GLU A 32 -18.242 5.936 -12.820 1.00 13.20 N ATOM 489 CA GLU A 32 -18.472 7.331 -13.177 1.00 44.30 C ATOM 490 C GLU A 32 -17.231 8.175 -12.898 1.00 14.45 C ATOM 491 O GLU A 32 -16.864 9.040 -13.693 1.00 11.42 O ATOM 492 CB GLU A 32 -19.667 7.889 -12.402 1.00 11.31 C ATOM 493 CG GLU A 32 -20.352 9.055 -13.096 1.00 22.14 C ATOM 494 CD GLU A 32 -19.707 10.388 -12.770 1.00 43.02 C ATOM 495 OE1 GLU A 32 -18.761 10.407 -11.956 1.00 24.14 O ATOM 496 OE2 GLU A 32 -20.149 11.413 -13.331 1.00 64.20 O ATOM 0 H GLU A 32 -18.217 5.756 -11.816 1.00 13.20 H new ATOM 0 HA GLU A 32 -18.688 7.376 -14.244 1.00 44.30 H new ATOM 0 HB2 GLU A 32 -20.394 7.091 -12.248 1.00 11.31 H new ATOM 0 HB3 GLU A 32 -19.332 8.210 -11.416 1.00 11.31 H new ATOM 0 HG2 GLU A 32 -20.326 8.897 -14.174 1.00 22.14 H new ATOM 0 HG3 GLU A 32 -21.401 9.082 -12.803 1.00 22.14 H new ATOM 503 N ASP A 33 -16.591 7.918 -11.762 1.00 74.33 N ATOM 504 CA ASP A 33 -15.392 8.653 -11.377 1.00 32.41 C ATOM 505 C ASP A 33 -14.154 8.061 -12.044 1.00 34.23 C ATOM 506 O ASP A 33 -13.209 8.778 -12.368 1.00 23.21 O ATOM 507 CB ASP A 33 -15.225 8.636 -9.857 1.00 1.53 C ATOM 508 CG ASP A 33 -16.462 9.130 -9.133 1.00 31.12 C ATOM 509 OD1 ASP A 33 -16.662 10.361 -9.071 1.00 53.30 O ATOM 510 OD2 ASP A 33 -17.231 8.285 -8.629 1.00 23.23 O ATOM 0 H ASP A 33 -16.883 7.206 -11.092 1.00 74.33 H new ATOM 0 HA ASP A 33 -15.504 9.684 -11.711 1.00 32.41 H new ATOM 0 HB2 ASP A 33 -14.998 7.621 -9.531 1.00 1.53 H new ATOM 0 HB3 ASP A 33 -14.373 9.258 -9.581 1.00 1.53 H new ATOM 515 N GLY A 34 -14.168 6.746 -12.245 1.00 3.44 N ATOM 516 CA GLY A 34 -13.041 6.080 -12.870 1.00 45.25 C ATOM 517 C GLY A 34 -12.411 5.036 -11.970 1.00 1.33 C ATOM 518 O GLY A 34 -11.208 5.078 -11.707 1.00 34.54 O ATOM 0 H GLY A 34 -14.940 6.131 -11.986 1.00 3.44 H new ATOM 0 HA2 GLY A 34 -13.370 5.606 -13.795 1.00 45.25 H new ATOM 0 HA3 GLY A 34 -12.290 6.822 -13.142 1.00 45.25 H new ATOM 522 N CYS A 35 -13.224 4.099 -11.495 1.00 1.44 N ATOM 523 CA CYS A 35 -12.740 3.041 -10.615 1.00 43.04 C ATOM 524 C CYS A 35 -13.469 1.730 -10.890 1.00 63.23 C ATOM 525 O CYS A 35 -14.397 1.682 -11.698 1.00 61.01 O ATOM 526 CB CYS A 35 -12.922 3.443 -9.151 1.00 60.40 C ATOM 527 SG CYS A 35 -12.016 4.933 -8.676 1.00 43.41 S ATOM 0 H CYS A 35 -14.221 4.050 -11.704 1.00 1.44 H new ATOM 0 HA CYS A 35 -11.678 2.894 -10.814 1.00 43.04 H new ATOM 0 HB2 CYS A 35 -13.983 3.599 -8.958 1.00 60.40 H new ATOM 0 HB3 CYS A 35 -12.600 2.617 -8.516 1.00 60.40 H new ATOM 0 HG CYS A 35 -11.309 5.351 -9.684 1.00 43.41 H new ATOM 533 N ILE A 36 -13.041 0.668 -10.215 1.00 13.52 N ATOM 534 CA ILE A 36 -13.653 -0.643 -10.387 1.00 72.21 C ATOM 535 C ILE A 36 -14.073 -1.234 -9.046 1.00 35.24 C ATOM 536 O ILE A 36 -13.244 -1.445 -8.161 1.00 43.31 O ATOM 537 CB ILE A 36 -12.695 -1.623 -11.090 1.00 33.44 C ATOM 538 CG1 ILE A 36 -12.276 -1.072 -12.454 1.00 14.31 C ATOM 539 CG2 ILE A 36 -13.352 -2.987 -11.243 1.00 24.44 C ATOM 540 CD1 ILE A 36 -10.778 -0.968 -12.630 1.00 24.44 C ATOM 0 H ILE A 36 -12.273 0.690 -9.544 1.00 13.52 H new ATOM 0 HA ILE A 36 -14.536 -0.500 -11.010 1.00 72.21 H new ATOM 0 HB ILE A 36 -11.802 -1.738 -10.476 1.00 33.44 H new ATOM 0 HG12 ILE A 36 -12.682 -1.714 -13.236 1.00 14.31 H new ATOM 0 HG13 ILE A 36 -12.719 -0.085 -12.590 1.00 14.31 H new ATOM 0 HG21 ILE A 36 -12.663 -3.669 -11.741 1.00 24.44 H new ATOM 0 HG22 ILE A 36 -13.605 -3.382 -10.259 1.00 24.44 H new ATOM 0 HG23 ILE A 36 -14.260 -2.889 -11.838 1.00 24.44 H new ATOM 0 HD11 ILE A 36 -10.555 -0.570 -13.620 1.00 24.44 H new ATOM 0 HD12 ILE A 36 -10.368 -0.303 -11.870 1.00 24.44 H new ATOM 0 HD13 ILE A 36 -10.330 -1.956 -12.527 1.00 24.44 H new ATOM 552 N SER A 37 -15.368 -1.502 -8.902 1.00 44.43 N ATOM 553 CA SER A 37 -15.899 -2.067 -7.668 1.00 12.12 C ATOM 554 C SER A 37 -15.868 -3.592 -7.711 1.00 2.42 C ATOM 555 O SER A 37 -16.048 -4.199 -8.767 1.00 24.22 O ATOM 556 CB SER A 37 -17.331 -1.581 -7.435 1.00 32.42 C ATOM 557 OG SER A 37 -18.209 -2.088 -8.425 1.00 41.24 O ATOM 0 H SER A 37 -16.068 -1.337 -9.625 1.00 44.43 H new ATOM 0 HA SER A 37 -15.270 -1.731 -6.843 1.00 12.12 H new ATOM 0 HB2 SER A 37 -17.669 -1.897 -6.448 1.00 32.42 H new ATOM 0 HB3 SER A 37 -17.355 -0.491 -7.447 1.00 32.42 H new ATOM 0 HG SER A 37 -19.118 -1.764 -8.253 1.00 41.24 H new ATOM 563 N THR A 38 -15.638 -4.205 -6.554 1.00 64.52 N ATOM 564 CA THR A 38 -15.581 -5.659 -6.458 1.00 41.41 C ATOM 565 C THR A 38 -16.807 -6.300 -7.097 1.00 71.14 C ATOM 566 O THR A 38 -16.744 -7.424 -7.597 1.00 2.31 O ATOM 567 CB THR A 38 -15.479 -6.121 -4.992 1.00 61.24 C ATOM 568 OG1 THR A 38 -15.748 -7.525 -4.902 1.00 1.32 O ATOM 569 CG2 THR A 38 -16.456 -5.355 -4.114 1.00 0.42 C ATOM 0 H THR A 38 -15.488 -3.718 -5.671 1.00 64.52 H new ATOM 0 HA THR A 38 -14.687 -5.977 -6.994 1.00 41.41 H new ATOM 0 HB THR A 38 -14.467 -5.922 -4.640 1.00 61.24 H new ATOM 0 HG1 THR A 38 -16.287 -7.704 -4.104 1.00 1.32 H new ATOM 0 HG21 THR A 38 -16.366 -5.699 -3.084 1.00 0.42 H new ATOM 0 HG22 THR A 38 -16.231 -4.290 -4.162 1.00 0.42 H new ATOM 0 HG23 THR A 38 -17.473 -5.527 -4.466 1.00 0.42 H new ATOM 577 N LYS A 39 -17.923 -5.579 -7.079 1.00 72.54 N ATOM 578 CA LYS A 39 -19.165 -6.077 -7.659 1.00 51.13 C ATOM 579 C LYS A 39 -19.041 -6.217 -9.173 1.00 62.31 C ATOM 580 O LYS A 39 -19.297 -7.285 -9.729 1.00 1.20 O ATOM 581 CB LYS A 39 -20.324 -5.138 -7.317 1.00 41.30 C ATOM 582 CG LYS A 39 -20.961 -5.425 -5.969 1.00 15.34 C ATOM 583 CD LYS A 39 -20.197 -4.759 -4.837 1.00 43.51 C ATOM 584 CE LYS A 39 -20.915 -4.923 -3.506 1.00 63.24 C ATOM 585 NZ LYS A 39 -19.986 -4.771 -2.352 1.00 63.35 N ATOM 0 H LYS A 39 -17.993 -4.648 -6.669 1.00 72.54 H new ATOM 0 HA LYS A 39 -19.365 -7.061 -7.236 1.00 51.13 H new ATOM 0 HB2 LYS A 39 -19.963 -4.110 -7.327 1.00 41.30 H new ATOM 0 HB3 LYS A 39 -21.085 -5.216 -8.093 1.00 41.30 H new ATOM 0 HG2 LYS A 39 -21.992 -5.072 -5.970 1.00 15.34 H new ATOM 0 HG3 LYS A 39 -20.993 -6.502 -5.803 1.00 15.34 H new ATOM 0 HD2 LYS A 39 -19.198 -5.190 -4.768 1.00 43.51 H new ATOM 0 HD3 LYS A 39 -20.072 -3.699 -5.056 1.00 43.51 H new ATOM 0 HE2 LYS A 39 -21.712 -4.184 -3.430 1.00 63.24 H new ATOM 0 HE3 LYS A 39 -21.386 -5.905 -3.466 1.00 63.24 H new ATOM 0 HZ1 LYS A 39 -20.514 -4.890 -1.464 1.00 63.35 H new ATOM 0 HZ2 LYS A 39 -19.239 -5.492 -2.410 1.00 63.35 H new ATOM 0 HZ3 LYS A 39 -19.556 -3.825 -2.375 1.00 63.35 H new ATOM 599 N GLU A 40 -18.645 -5.133 -9.833 1.00 60.30 N ATOM 600 CA GLU A 40 -18.487 -5.138 -11.283 1.00 5.34 C ATOM 601 C GLU A 40 -17.251 -5.934 -11.692 1.00 72.34 C ATOM 602 O GLU A 40 -17.200 -6.505 -12.783 1.00 31.23 O ATOM 603 CB GLU A 40 -18.382 -3.705 -11.811 1.00 23.52 C ATOM 604 CG GLU A 40 -19.515 -2.803 -11.352 1.00 62.10 C ATOM 605 CD GLU A 40 -20.815 -3.085 -12.079 1.00 15.42 C ATOM 606 OE1 GLU A 40 -20.910 -2.747 -13.278 1.00 4.45 O ATOM 607 OE2 GLU A 40 -21.739 -3.642 -11.450 1.00 22.13 O ATOM 0 H GLU A 40 -18.428 -4.241 -9.388 1.00 60.30 H new ATOM 0 HA GLU A 40 -19.366 -5.615 -11.718 1.00 5.34 H new ATOM 0 HB2 GLU A 40 -17.434 -3.276 -11.488 1.00 23.52 H new ATOM 0 HB3 GLU A 40 -18.366 -3.728 -12.901 1.00 23.52 H new ATOM 0 HG2 GLU A 40 -19.667 -2.933 -10.280 1.00 62.10 H new ATOM 0 HG3 GLU A 40 -19.233 -1.762 -11.510 1.00 62.10 H new ATOM 614 N LEU A 41 -16.257 -5.968 -10.812 1.00 13.13 N ATOM 615 CA LEU A 41 -15.021 -6.694 -11.081 1.00 2.33 C ATOM 616 C LEU A 41 -15.293 -8.183 -11.265 1.00 61.22 C ATOM 617 O LEU A 41 -14.557 -8.877 -11.966 1.00 12.01 O ATOM 618 CB LEU A 41 -14.024 -6.483 -9.940 1.00 31.34 C ATOM 619 CG LEU A 41 -12.718 -7.273 -10.035 1.00 33.13 C ATOM 620 CD1 LEU A 41 -12.160 -7.213 -11.448 1.00 4.32 C ATOM 621 CD2 LEU A 41 -11.701 -6.744 -9.034 1.00 31.41 C ATOM 0 H LEU A 41 -16.283 -5.501 -9.906 1.00 13.13 H new ATOM 0 HA LEU A 41 -14.594 -6.305 -12.005 1.00 2.33 H new ATOM 0 HB2 LEU A 41 -13.780 -5.422 -9.889 1.00 31.34 H new ATOM 0 HB3 LEU A 41 -14.515 -6.743 -9.002 1.00 31.34 H new ATOM 0 HG LEU A 41 -12.927 -8.315 -9.793 1.00 33.13 H new ATOM 0 HD11 LEU A 41 -11.231 -7.781 -11.497 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -12.883 -7.640 -12.143 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -11.966 -6.175 -11.719 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -10.778 -7.318 -9.116 1.00 31.41 H new ATOM 0 HD22 LEU A 41 -11.496 -5.694 -9.244 1.00 31.41 H new ATOM 0 HD23 LEU A 41 -12.100 -6.840 -8.024 1.00 31.41 H new ATOM 633 N GLY A 42 -16.357 -8.668 -10.633 1.00 31.24 N ATOM 634 CA GLY A 42 -16.709 -10.072 -10.741 1.00 50.14 C ATOM 635 C GLY A 42 -17.441 -10.388 -12.030 1.00 52.25 C ATOM 636 O GLY A 42 -17.296 -11.477 -12.585 1.00 72.32 O ATOM 0 H GLY A 42 -16.982 -8.114 -10.048 1.00 31.24 H new ATOM 0 HA2 GLY A 42 -15.803 -10.676 -10.683 1.00 50.14 H new ATOM 0 HA3 GLY A 42 -17.334 -10.353 -9.893 1.00 50.14 H new ATOM 640 N LYS A 43 -18.232 -9.433 -12.509 1.00 33.41 N ATOM 641 CA LYS A 43 -18.991 -9.614 -13.741 1.00 11.13 C ATOM 642 C LYS A 43 -18.060 -9.691 -14.947 1.00 35.02 C ATOM 643 O LYS A 43 -18.309 -10.445 -15.888 1.00 3.20 O ATOM 644 CB LYS A 43 -19.986 -8.466 -13.924 1.00 15.02 C ATOM 645 CG LYS A 43 -19.522 -7.410 -14.911 1.00 42.25 C ATOM 646 CD LYS A 43 -20.532 -6.282 -15.038 1.00 2.43 C ATOM 647 CE LYS A 43 -20.319 -5.483 -16.314 1.00 44.24 C ATOM 648 NZ LYS A 43 -21.503 -4.645 -16.649 1.00 13.23 N ATOM 0 H LYS A 43 -18.364 -8.526 -12.062 1.00 33.41 H new ATOM 0 HA LYS A 43 -19.539 -10.553 -13.666 1.00 11.13 H new ATOM 0 HB2 LYS A 43 -20.939 -8.873 -14.262 1.00 15.02 H new ATOM 0 HB3 LYS A 43 -20.165 -7.994 -12.958 1.00 15.02 H new ATOM 0 HG2 LYS A 43 -18.563 -7.006 -14.588 1.00 42.25 H new ATOM 0 HG3 LYS A 43 -19.363 -7.868 -15.887 1.00 42.25 H new ATOM 0 HD2 LYS A 43 -21.541 -6.694 -15.030 1.00 2.43 H new ATOM 0 HD3 LYS A 43 -20.450 -5.620 -14.176 1.00 2.43 H new ATOM 0 HE2 LYS A 43 -19.443 -4.845 -16.200 1.00 44.24 H new ATOM 0 HE3 LYS A 43 -20.112 -6.165 -17.139 1.00 44.24 H new ATOM 0 HZ1 LYS A 43 -21.317 -4.116 -17.525 1.00 13.23 H new ATOM 0 HZ2 LYS A 43 -22.334 -5.256 -16.783 1.00 13.23 H new ATOM 0 HZ3 LYS A 43 -21.686 -3.977 -15.874 1.00 13.23 H new ATOM 662 N VAL A 44 -16.987 -8.907 -14.912 1.00 32.55 N ATOM 663 CA VAL A 44 -16.018 -8.889 -16.000 1.00 61.24 C ATOM 664 C VAL A 44 -15.296 -10.227 -16.116 1.00 2.11 C ATOM 665 O VAL A 44 -14.878 -10.626 -17.202 1.00 70.43 O ATOM 666 CB VAL A 44 -14.976 -7.771 -15.806 1.00 74.21 C ATOM 667 CG1 VAL A 44 -13.970 -7.775 -16.946 1.00 43.14 C ATOM 668 CG2 VAL A 44 -15.663 -6.418 -15.694 1.00 65.11 C ATOM 0 H VAL A 44 -16.767 -8.276 -14.141 1.00 32.55 H new ATOM 0 HA VAL A 44 -16.576 -8.700 -16.917 1.00 61.24 H new ATOM 0 HB VAL A 44 -14.436 -7.957 -14.877 1.00 74.21 H new ATOM 0 HG11 VAL A 44 -13.242 -6.979 -16.792 1.00 43.14 H new ATOM 0 HG12 VAL A 44 -13.456 -8.736 -16.974 1.00 43.14 H new ATOM 0 HG13 VAL A 44 -14.490 -7.613 -17.890 1.00 43.14 H new ATOM 0 HG21 VAL A 44 -14.913 -5.639 -15.557 1.00 65.11 H new ATOM 0 HG22 VAL A 44 -16.229 -6.221 -16.604 1.00 65.11 H new ATOM 0 HG23 VAL A 44 -16.340 -6.423 -14.840 1.00 65.11 H new ATOM 678 N MET A 45 -15.153 -10.915 -14.988 1.00 22.20 N ATOM 679 CA MET A 45 -14.482 -12.210 -14.963 1.00 53.11 C ATOM 680 C MET A 45 -15.081 -13.152 -16.003 1.00 25.11 C ATOM 681 O MET A 45 -14.394 -14.030 -16.526 1.00 73.21 O ATOM 682 CB MET A 45 -14.587 -12.836 -13.571 1.00 4.41 C ATOM 683 CG MET A 45 -14.191 -11.890 -12.448 1.00 40.04 C ATOM 684 SD MET A 45 -12.559 -11.163 -12.695 1.00 73.32 S ATOM 685 CE MET A 45 -11.642 -12.584 -13.285 1.00 4.03 C ATOM 0 H MET A 45 -15.492 -10.598 -14.080 1.00 22.20 H new ATOM 0 HA MET A 45 -13.431 -12.052 -15.204 1.00 53.11 H new ATOM 0 HB2 MET A 45 -15.611 -13.171 -13.409 1.00 4.41 H new ATOM 0 HB3 MET A 45 -13.952 -13.721 -13.531 1.00 4.41 H new ATOM 0 HG2 MET A 45 -14.931 -11.094 -12.371 1.00 40.04 H new ATOM 0 HG3 MET A 45 -14.204 -12.430 -11.501 1.00 40.04 H new ATOM 0 HE1 MET A 45 -10.577 -12.351 -13.297 1.00 4.03 H new ATOM 0 HE2 MET A 45 -11.820 -13.432 -12.624 1.00 4.03 H new ATOM 0 HE3 MET A 45 -11.970 -12.835 -14.294 1.00 4.03 H new ATOM 695 N ARG A 46 -16.363 -12.964 -16.297 1.00 42.02 N ATOM 696 CA ARG A 46 -17.053 -13.798 -17.273 1.00 70.43 C ATOM 697 C ARG A 46 -16.380 -13.707 -18.640 1.00 24.14 C ATOM 698 O ARG A 46 -16.375 -14.670 -19.406 1.00 21.14 O ATOM 699 CB ARG A 46 -18.520 -13.380 -17.387 1.00 51.00 C ATOM 700 CG ARG A 46 -18.736 -12.141 -18.240 1.00 44.41 C ATOM 701 CD ARG A 46 -20.135 -11.574 -18.056 1.00 62.11 C ATOM 702 NE ARG A 46 -20.591 -10.847 -19.238 1.00 23.11 N ATOM 703 CZ ARG A 46 -21.828 -10.387 -19.386 1.00 1.34 C ATOM 704 NH1 ARG A 46 -22.728 -10.577 -18.431 1.00 2.54 N ATOM 705 NH2 ARG A 46 -22.167 -9.734 -20.490 1.00 61.32 N ATOM 0 H ARG A 46 -16.945 -12.241 -15.873 1.00 42.02 H new ATOM 0 HA ARG A 46 -17.002 -14.831 -16.930 1.00 70.43 H new ATOM 0 HB2 ARG A 46 -19.092 -14.206 -17.809 1.00 51.00 H new ATOM 0 HB3 ARG A 46 -18.915 -13.196 -16.388 1.00 51.00 H new ATOM 0 HG2 ARG A 46 -17.998 -11.384 -17.977 1.00 44.41 H new ATOM 0 HG3 ARG A 46 -18.578 -12.389 -19.290 1.00 44.41 H new ATOM 0 HD2 ARG A 46 -20.829 -12.386 -17.839 1.00 62.11 H new ATOM 0 HD3 ARG A 46 -20.145 -10.907 -17.194 1.00 62.11 H new ATOM 0 HE ARG A 46 -19.923 -10.684 -19.991 1.00 23.11 H new ATOM 0 HH11 ARG A 46 -22.471 -11.077 -17.580 1.00 2.54 H new ATOM 0 HH12 ARG A 46 -23.677 -10.223 -18.547 1.00 2.54 H new ATOM 0 HH21 ARG A 46 -21.477 -9.585 -21.226 1.00 61.32 H new ATOM 0 HH22 ARG A 46 -23.117 -9.381 -20.602 1.00 61.32 H new ATOM 719 N MET A 47 -15.813 -12.543 -18.937 1.00 44.54 N ATOM 720 CA MET A 47 -15.136 -12.326 -20.211 1.00 20.01 C ATOM 721 C MET A 47 -13.885 -13.192 -20.316 1.00 24.02 C ATOM 722 O MET A 47 -13.621 -13.797 -21.356 1.00 52.31 O ATOM 723 CB MET A 47 -14.764 -10.851 -20.371 1.00 12.41 C ATOM 724 CG MET A 47 -15.963 -9.942 -20.591 1.00 21.22 C ATOM 725 SD MET A 47 -15.653 -8.672 -21.832 1.00 11.51 S ATOM 726 CE MET A 47 -17.100 -7.636 -21.625 1.00 4.15 C ATOM 0 H MET A 47 -15.808 -11.736 -18.314 1.00 44.54 H new ATOM 0 HA MET A 47 -15.821 -12.609 -21.010 1.00 20.01 H new ATOM 0 HB2 MET A 47 -14.227 -10.522 -19.481 1.00 12.41 H new ATOM 0 HB3 MET A 47 -14.080 -10.747 -21.213 1.00 12.41 H new ATOM 0 HG2 MET A 47 -16.819 -10.544 -20.898 1.00 21.22 H new ATOM 0 HG3 MET A 47 -16.231 -9.465 -19.648 1.00 21.22 H new ATOM 0 HE1 MET A 47 -17.054 -6.803 -22.326 1.00 4.15 H new ATOM 0 HE2 MET A 47 -17.998 -8.223 -21.817 1.00 4.15 H new ATOM 0 HE3 MET A 47 -17.129 -7.251 -20.606 1.00 4.15 H new ATOM 736 N LEU A 48 -13.117 -13.247 -19.233 1.00 64.44 N ATOM 737 CA LEU A 48 -11.892 -14.040 -19.204 1.00 10.31 C ATOM 738 C LEU A 48 -12.208 -15.532 -19.230 1.00 10.34 C ATOM 739 O LEU A 48 -11.390 -16.343 -19.662 1.00 52.54 O ATOM 740 CB LEU A 48 -11.073 -13.702 -17.957 1.00 45.22 C ATOM 741 CG LEU A 48 -10.895 -12.214 -17.654 1.00 3.31 C ATOM 742 CD1 LEU A 48 -10.165 -12.022 -16.334 1.00 0.45 C ATOM 743 CD2 LEU A 48 -10.145 -11.525 -18.785 1.00 11.22 C ATOM 0 H LEU A 48 -13.320 -12.753 -18.364 1.00 64.44 H new ATOM 0 HA LEU A 48 -11.309 -13.796 -20.092 1.00 10.31 H new ATOM 0 HB2 LEU A 48 -11.548 -14.173 -17.096 1.00 45.22 H new ATOM 0 HB3 LEU A 48 -10.086 -14.152 -18.062 1.00 45.22 H new ATOM 0 HG LEU A 48 -11.882 -11.760 -17.570 1.00 3.31 H new ATOM 0 HD11 LEU A 48 -10.047 -10.957 -16.135 1.00 0.45 H new ATOM 0 HD12 LEU A 48 -10.741 -12.480 -15.530 1.00 0.45 H new ATOM 0 HD13 LEU A 48 -9.183 -12.491 -16.390 1.00 0.45 H new ATOM 0 HD21 LEU A 48 -10.028 -10.467 -18.552 1.00 11.22 H new ATOM 0 HD22 LEU A 48 -9.162 -11.982 -18.901 1.00 11.22 H new ATOM 0 HD23 LEU A 48 -10.707 -11.632 -19.713 1.00 11.22 H new ATOM 755 N GLY A 49 -13.402 -15.887 -18.765 1.00 11.24 N ATOM 756 CA GLY A 49 -13.806 -17.281 -18.745 1.00 50.40 C ATOM 757 C GLY A 49 -13.894 -17.839 -17.339 1.00 13.04 C ATOM 758 O GLY A 49 -13.866 -19.054 -17.144 1.00 51.21 O ATOM 0 H GLY A 49 -14.097 -15.234 -18.402 1.00 11.24 H new ATOM 0 HA2 GLY A 49 -14.775 -17.382 -19.234 1.00 50.40 H new ATOM 0 HA3 GLY A 49 -13.094 -17.871 -19.323 1.00 50.40 H new ATOM 762 N GLN A 50 -14.000 -16.950 -16.356 1.00 43.02 N ATOM 763 CA GLN A 50 -14.090 -17.362 -14.960 1.00 42.13 C ATOM 764 C GLN A 50 -15.238 -16.647 -14.255 1.00 23.31 C ATOM 765 O GLN A 50 -15.495 -15.470 -14.504 1.00 31.34 O ATOM 766 CB GLN A 50 -12.773 -17.076 -14.236 1.00 52.52 C ATOM 767 CG GLN A 50 -11.646 -18.017 -14.629 1.00 3.42 C ATOM 768 CD GLN A 50 -10.521 -18.036 -13.612 1.00 73.32 C ATOM 769 OE1 GLN A 50 -10.328 -19.023 -12.902 1.00 34.33 O ATOM 770 NE2 GLN A 50 -9.771 -16.943 -13.538 1.00 32.05 N ATOM 0 H GLN A 50 -14.026 -15.941 -16.501 1.00 43.02 H new ATOM 0 HA GLN A 50 -14.284 -18.434 -14.935 1.00 42.13 H new ATOM 0 HB2 GLN A 50 -12.468 -16.050 -14.445 1.00 52.52 H new ATOM 0 HB3 GLN A 50 -12.936 -17.147 -13.161 1.00 52.52 H new ATOM 0 HG2 GLN A 50 -12.043 -19.025 -14.745 1.00 3.42 H new ATOM 0 HG3 GLN A 50 -11.249 -17.717 -15.599 1.00 3.42 H new ATOM 0 HE21 GLN A 50 -9.967 -16.148 -14.146 1.00 32.05 H new ATOM 0 HE22 GLN A 50 -8.999 -16.898 -12.873 1.00 32.05 H new ATOM 779 N ASN A 51 -15.924 -17.368 -13.374 1.00 14.40 N ATOM 780 CA ASN A 51 -17.046 -16.802 -12.633 1.00 30.22 C ATOM 781 C ASN A 51 -17.018 -17.253 -11.176 1.00 30.53 C ATOM 782 O ASN A 51 -17.876 -18.007 -10.717 1.00 34.42 O ATOM 783 CB ASN A 51 -18.370 -17.212 -13.280 1.00 75.10 C ATOM 784 CG ASN A 51 -19.573 -16.691 -12.517 1.00 3.14 C ATOM 785 OD1 ASN A 51 -20.256 -17.445 -11.824 1.00 13.45 O ATOM 786 ND2 ASN A 51 -19.836 -15.395 -12.641 1.00 72.41 N ATOM 0 H ASN A 51 -15.723 -18.344 -13.156 1.00 14.40 H new ATOM 0 HA ASN A 51 -16.957 -15.716 -12.661 1.00 30.22 H new ATOM 0 HB2 ASN A 51 -18.402 -16.838 -14.303 1.00 75.10 H new ATOM 0 HB3 ASN A 51 -18.422 -18.299 -13.337 1.00 75.10 H new ATOM 0 HD21 ASN A 51 -20.632 -14.987 -12.151 1.00 72.41 H new ATOM 0 HD22 ASN A 51 -19.242 -14.808 -13.227 1.00 72.41 H new ATOM 793 N PRO A 52 -16.008 -16.782 -10.429 1.00 53.45 N ATOM 794 CA PRO A 52 -15.844 -17.122 -9.013 1.00 73.21 C ATOM 795 C PRO A 52 -16.918 -16.488 -8.136 1.00 55.33 C ATOM 796 O PRO A 52 -17.728 -15.688 -8.608 1.00 21.22 O ATOM 797 CB PRO A 52 -14.467 -16.551 -8.668 1.00 65.32 C ATOM 798 CG PRO A 52 -14.258 -15.448 -9.647 1.00 0.31 C ATOM 799 CD PRO A 52 -14.949 -15.879 -10.911 1.00 12.12 C ATOM 0 HA PRO A 52 -15.932 -18.194 -8.839 1.00 73.21 H new ATOM 0 HB2 PRO A 52 -14.437 -16.181 -7.643 1.00 65.32 H new ATOM 0 HB3 PRO A 52 -13.690 -17.311 -8.756 1.00 65.32 H new ATOM 0 HG2 PRO A 52 -14.674 -14.512 -9.275 1.00 0.31 H new ATOM 0 HG3 PRO A 52 -13.196 -15.278 -9.822 1.00 0.31 H new ATOM 0 HD2 PRO A 52 -15.362 -15.029 -11.453 1.00 12.12 H new ATOM 0 HD3 PRO A 52 -14.265 -16.388 -11.590 1.00 12.12 H new ATOM 807 N THR A 53 -16.921 -16.848 -6.857 1.00 22.53 N ATOM 808 CA THR A 53 -17.896 -16.315 -5.914 1.00 21.00 C ATOM 809 C THR A 53 -17.858 -14.791 -5.887 1.00 72.32 C ATOM 810 O THR A 53 -16.877 -14.163 -6.287 1.00 34.54 O ATOM 811 CB THR A 53 -17.651 -16.848 -4.490 1.00 25.41 C ATOM 812 OG1 THR A 53 -16.272 -17.201 -4.329 1.00 41.44 O ATOM 813 CG2 THR A 53 -18.525 -18.061 -4.208 1.00 10.20 C ATOM 0 H THR A 53 -16.258 -17.508 -6.450 1.00 22.53 H new ATOM 0 HA THR A 53 -18.877 -16.646 -6.254 1.00 21.00 H new ATOM 0 HB THR A 53 -17.910 -16.060 -3.782 1.00 25.41 H new ATOM 0 HG1 THR A 53 -16.124 -17.537 -3.420 1.00 41.44 H new ATOM 0 HG21 THR A 53 -18.334 -18.420 -3.197 1.00 10.20 H new ATOM 0 HG22 THR A 53 -19.575 -17.783 -4.303 1.00 10.20 H new ATOM 0 HG23 THR A 53 -18.293 -18.851 -4.923 1.00 10.20 H new ATOM 821 N PRO A 54 -18.950 -14.180 -5.405 1.00 33.01 N ATOM 822 CA PRO A 54 -19.066 -12.722 -5.313 1.00 43.53 C ATOM 823 C PRO A 54 -18.146 -12.133 -4.249 1.00 32.04 C ATOM 824 O PRO A 54 -17.429 -11.166 -4.502 1.00 24.13 O ATOM 825 CB PRO A 54 -20.532 -12.505 -4.932 1.00 53.13 C ATOM 826 CG PRO A 54 -20.936 -13.765 -4.247 1.00 4.54 C ATOM 827 CD PRO A 54 -20.156 -14.866 -4.911 1.00 55.43 C ATOM 0 HA PRO A 54 -18.776 -12.231 -6.242 1.00 43.53 H new ATOM 0 HB2 PRO A 54 -20.647 -11.643 -4.275 1.00 53.13 H new ATOM 0 HB3 PRO A 54 -21.147 -12.319 -5.813 1.00 53.13 H new ATOM 0 HG2 PRO A 54 -20.714 -13.718 -3.181 1.00 4.54 H new ATOM 0 HG3 PRO A 54 -22.009 -13.934 -4.342 1.00 4.54 H new ATOM 0 HD2 PRO A 54 -19.907 -15.662 -4.209 1.00 55.43 H new ATOM 0 HD3 PRO A 54 -20.719 -15.324 -5.724 1.00 55.43 H new ATOM 835 N GLU A 55 -18.173 -12.723 -3.058 1.00 33.32 N ATOM 836 CA GLU A 55 -17.342 -12.256 -1.955 1.00 44.31 C ATOM 837 C GLU A 55 -15.861 -12.427 -2.280 1.00 45.53 C ATOM 838 O GLU A 55 -15.017 -11.677 -1.790 1.00 21.25 O ATOM 839 CB GLU A 55 -17.684 -13.015 -0.671 1.00 50.33 C ATOM 840 CG GLU A 55 -19.090 -12.746 -0.162 1.00 72.11 C ATOM 841 CD GLU A 55 -19.344 -13.358 1.202 1.00 64.42 C ATOM 842 OE1 GLU A 55 -18.714 -12.905 2.181 1.00 71.41 O ATOM 843 OE2 GLU A 55 -20.170 -14.290 1.290 1.00 13.14 O ATOM 0 H GLU A 55 -18.761 -13.525 -2.833 1.00 33.32 H new ATOM 0 HA GLU A 55 -17.544 -11.195 -1.806 1.00 44.31 H new ATOM 0 HB2 GLU A 55 -17.569 -14.084 -0.849 1.00 50.33 H new ATOM 0 HB3 GLU A 55 -16.968 -12.743 0.104 1.00 50.33 H new ATOM 0 HG2 GLU A 55 -19.253 -11.670 -0.109 1.00 72.11 H new ATOM 0 HG3 GLU A 55 -19.813 -13.144 -0.875 1.00 72.11 H new ATOM 850 N GLU A 56 -15.553 -13.418 -3.111 1.00 35.45 N ATOM 851 CA GLU A 56 -14.174 -13.688 -3.500 1.00 34.40 C ATOM 852 C GLU A 56 -13.545 -12.463 -4.157 1.00 22.32 C ATOM 853 O GLU A 56 -12.372 -12.160 -3.935 1.00 44.03 O ATOM 854 CB GLU A 56 -14.116 -14.881 -4.457 1.00 45.31 C ATOM 855 CG GLU A 56 -13.550 -16.141 -3.825 1.00 20.41 C ATOM 856 CD GLU A 56 -12.055 -16.055 -3.588 1.00 3.11 C ATOM 857 OE1 GLU A 56 -11.505 -14.936 -3.671 1.00 33.30 O ATOM 858 OE2 GLU A 56 -11.434 -17.105 -3.320 1.00 12.30 O ATOM 0 H GLU A 56 -16.240 -14.047 -3.528 1.00 35.45 H new ATOM 0 HA GLU A 56 -13.608 -13.926 -2.599 1.00 34.40 H new ATOM 0 HB2 GLU A 56 -15.120 -15.089 -4.826 1.00 45.31 H new ATOM 0 HB3 GLU A 56 -13.508 -14.614 -5.321 1.00 45.31 H new ATOM 0 HG2 GLU A 56 -14.054 -16.325 -2.876 1.00 20.41 H new ATOM 0 HG3 GLU A 56 -13.763 -16.994 -4.470 1.00 20.41 H new ATOM 865 N LEU A 57 -14.332 -11.763 -4.966 1.00 61.20 N ATOM 866 CA LEU A 57 -13.853 -10.571 -5.657 1.00 3.14 C ATOM 867 C LEU A 57 -13.208 -9.596 -4.676 1.00 54.13 C ATOM 868 O LEU A 57 -12.057 -9.197 -4.850 1.00 73.01 O ATOM 869 CB LEU A 57 -15.006 -9.885 -6.392 1.00 24.41 C ATOM 870 CG LEU A 57 -15.333 -10.430 -7.783 1.00 1.02 C ATOM 871 CD1 LEU A 57 -14.119 -10.333 -8.693 1.00 65.32 C ATOM 872 CD2 LEU A 57 -15.820 -11.869 -7.691 1.00 42.22 C ATOM 0 H LEU A 57 -15.305 -12.000 -5.160 1.00 61.20 H new ATOM 0 HA LEU A 57 -13.101 -10.879 -6.383 1.00 3.14 H new ATOM 0 HB2 LEU A 57 -15.901 -9.961 -5.774 1.00 24.41 H new ATOM 0 HB3 LEU A 57 -14.772 -8.825 -6.485 1.00 24.41 H new ATOM 0 HG LEU A 57 -16.131 -9.824 -8.211 1.00 1.02 H new ATOM 0 HD11 LEU A 57 -14.371 -10.725 -9.678 1.00 65.32 H new ATOM 0 HD12 LEU A 57 -13.815 -9.290 -8.784 1.00 65.32 H new ATOM 0 HD13 LEU A 57 -13.300 -10.914 -8.270 1.00 65.32 H new ATOM 0 HD21 LEU A 57 -16.048 -12.241 -8.690 1.00 42.22 H new ATOM 0 HD22 LEU A 57 -15.043 -12.488 -7.242 1.00 42.22 H new ATOM 0 HD23 LEU A 57 -16.718 -11.910 -7.075 1.00 42.22 H new ATOM 884 N GLN A 58 -13.958 -9.219 -3.646 1.00 14.51 N ATOM 885 CA GLN A 58 -13.459 -8.291 -2.637 1.00 71.43 C ATOM 886 C GLN A 58 -12.292 -8.901 -1.868 1.00 32.14 C ATOM 887 O GLN A 58 -11.455 -8.184 -1.321 1.00 51.41 O ATOM 888 CB GLN A 58 -14.579 -7.907 -1.669 1.00 1.21 C ATOM 889 CG GLN A 58 -14.088 -7.173 -0.432 1.00 2.34 C ATOM 890 CD GLN A 58 -13.431 -5.847 -0.762 1.00 24.11 C ATOM 891 OE1 GLN A 58 -14.052 -4.963 -1.352 1.00 70.03 O ATOM 892 NE2 GLN A 58 -12.167 -5.702 -0.382 1.00 3.32 N ATOM 0 H GLN A 58 -14.913 -9.541 -3.488 1.00 14.51 H new ATOM 0 HA GLN A 58 -13.106 -7.394 -3.146 1.00 71.43 H new ATOM 0 HB2 GLN A 58 -15.300 -7.279 -2.192 1.00 1.21 H new ATOM 0 HB3 GLN A 58 -15.107 -8.809 -1.360 1.00 1.21 H new ATOM 0 HG2 GLN A 58 -14.928 -7.000 0.241 1.00 2.34 H new ATOM 0 HG3 GLN A 58 -13.377 -7.804 0.102 1.00 2.34 H new ATOM 0 HE21 GLN A 58 -11.691 -6.461 0.105 1.00 3.32 H new ATOM 0 HE22 GLN A 58 -11.673 -4.831 -0.577 1.00 3.32 H new ATOM 901 N GLU A 59 -12.244 -10.229 -1.829 1.00 72.12 N ATOM 902 CA GLU A 59 -11.180 -10.934 -1.125 1.00 21.32 C ATOM 903 C GLU A 59 -9.814 -10.579 -1.706 1.00 54.11 C ATOM 904 O GLU A 59 -8.910 -10.161 -0.983 1.00 53.04 O ATOM 905 CB GLU A 59 -11.401 -12.446 -1.202 1.00 75.31 C ATOM 906 CG GLU A 59 -11.414 -13.130 0.155 1.00 54.31 C ATOM 907 CD GLU A 59 -10.950 -14.571 0.086 1.00 24.54 C ATOM 908 OE1 GLU A 59 -10.721 -15.069 -1.036 1.00 31.23 O ATOM 909 OE2 GLU A 59 -10.814 -15.202 1.156 1.00 12.11 O ATOM 0 H GLU A 59 -12.929 -10.838 -2.277 1.00 72.12 H new ATOM 0 HA GLU A 59 -11.204 -10.623 -0.081 1.00 21.32 H new ATOM 0 HB2 GLU A 59 -12.347 -12.641 -1.707 1.00 75.31 H new ATOM 0 HB3 GLU A 59 -10.616 -12.889 -1.815 1.00 75.31 H new ATOM 0 HG2 GLU A 59 -10.772 -12.578 0.842 1.00 54.31 H new ATOM 0 HG3 GLU A 59 -12.423 -13.096 0.565 1.00 54.31 H new ATOM 916 N MET A 60 -9.673 -10.749 -3.017 1.00 33.14 N ATOM 917 CA MET A 60 -8.419 -10.446 -3.695 1.00 43.15 C ATOM 918 C MET A 60 -8.155 -8.943 -3.705 1.00 71.51 C ATOM 919 O MET A 60 -7.006 -8.506 -3.765 1.00 25.35 O ATOM 920 CB MET A 60 -8.448 -10.980 -5.129 1.00 1.41 C ATOM 921 CG MET A 60 -9.596 -10.429 -5.959 1.00 41.12 C ATOM 922 SD MET A 60 -9.413 -10.782 -7.718 1.00 1.30 S ATOM 923 CE MET A 60 -10.012 -12.468 -7.789 1.00 63.30 C ATOM 0 H MET A 60 -10.411 -11.095 -3.630 1.00 33.14 H new ATOM 0 HA MET A 60 -7.612 -10.935 -3.149 1.00 43.15 H new ATOM 0 HB2 MET A 60 -7.506 -10.734 -5.619 1.00 1.41 H new ATOM 0 HB3 MET A 60 -8.519 -12.067 -5.102 1.00 1.41 H new ATOM 0 HG2 MET A 60 -10.534 -10.855 -5.603 1.00 41.12 H new ATOM 0 HG3 MET A 60 -9.660 -9.351 -5.813 1.00 41.12 H new ATOM 0 HE1 MET A 60 -9.961 -12.829 -8.816 1.00 63.30 H new ATOM 0 HE2 MET A 60 -9.395 -13.101 -7.151 1.00 63.30 H new ATOM 0 HE3 MET A 60 -11.045 -12.502 -7.443 1.00 63.30 H new ATOM 933 N ILE A 61 -9.226 -8.159 -3.647 1.00 20.13 N ATOM 934 CA ILE A 61 -9.109 -6.706 -3.648 1.00 21.20 C ATOM 935 C ILE A 61 -8.669 -6.189 -2.283 1.00 2.13 C ATOM 936 O ILE A 61 -8.111 -5.097 -2.171 1.00 64.24 O ATOM 937 CB ILE A 61 -10.440 -6.034 -4.034 1.00 60.52 C ATOM 938 CG1 ILE A 61 -10.811 -6.381 -5.478 1.00 33.15 C ATOM 939 CG2 ILE A 61 -10.344 -4.527 -3.854 1.00 14.14 C ATOM 940 CD1 ILE A 61 -12.193 -5.911 -5.876 1.00 3.43 C ATOM 0 H ILE A 61 -10.184 -8.505 -3.599 1.00 20.13 H new ATOM 0 HA ILE A 61 -8.354 -6.451 -4.391 1.00 21.20 H new ATOM 0 HB ILE A 61 -11.224 -6.409 -3.377 1.00 60.52 H new ATOM 0 HG12 ILE A 61 -10.077 -5.936 -6.150 1.00 33.15 H new ATOM 0 HG13 ILE A 61 -10.751 -7.461 -5.611 1.00 33.15 H new ATOM 0 HG21 ILE A 61 -11.292 -4.066 -4.131 1.00 14.14 H new ATOM 0 HG22 ILE A 61 -10.120 -4.299 -2.812 1.00 14.14 H new ATOM 0 HG23 ILE A 61 -9.551 -4.134 -4.490 1.00 14.14 H new ATOM 0 HD11 ILE A 61 -12.388 -6.191 -6.911 1.00 3.43 H new ATOM 0 HD12 ILE A 61 -12.936 -6.376 -5.228 1.00 3.43 H new ATOM 0 HD13 ILE A 61 -12.252 -4.827 -5.776 1.00 3.43 H new ATOM 952 N ASP A 62 -8.922 -6.981 -1.247 1.00 13.45 N ATOM 953 CA ASP A 62 -8.550 -6.605 0.112 1.00 2.53 C ATOM 954 C ASP A 62 -7.034 -6.508 0.253 1.00 1.31 C ATOM 955 O ASP A 62 -6.511 -5.520 0.768 1.00 32.02 O ATOM 956 CB ASP A 62 -9.104 -7.618 1.115 1.00 41.01 C ATOM 957 CG ASP A 62 -8.940 -7.161 2.551 1.00 45.10 C ATOM 958 OD1 ASP A 62 -9.483 -6.092 2.899 1.00 74.21 O ATOM 959 OD2 ASP A 62 -8.266 -7.871 3.327 1.00 72.41 O ATOM 0 H ASP A 62 -9.383 -7.888 -1.322 1.00 13.45 H new ATOM 0 HA ASP A 62 -8.980 -5.626 0.322 1.00 2.53 H new ATOM 0 HB2 ASP A 62 -10.161 -7.788 0.909 1.00 41.01 H new ATOM 0 HB3 ASP A 62 -8.596 -8.573 0.981 1.00 41.01 H new ATOM 964 N GLU A 63 -6.335 -7.540 -0.207 1.00 64.34 N ATOM 965 CA GLU A 63 -4.879 -7.571 -0.131 1.00 22.35 C ATOM 966 C GLU A 63 -4.261 -6.574 -1.107 1.00 31.33 C ATOM 967 O GLU A 63 -3.119 -6.148 -0.936 1.00 41.33 O ATOM 968 CB GLU A 63 -4.360 -8.980 -0.427 1.00 31.02 C ATOM 969 CG GLU A 63 -3.659 -9.631 0.754 1.00 73.45 C ATOM 970 CD GLU A 63 -2.681 -10.710 0.329 1.00 55.32 C ATOM 971 OE1 GLU A 63 -1.753 -10.396 -0.445 1.00 60.24 O ATOM 972 OE2 GLU A 63 -2.844 -11.866 0.770 1.00 75.40 O ATOM 0 H GLU A 63 -6.753 -8.366 -0.636 1.00 64.34 H new ATOM 0 HA GLU A 63 -4.588 -7.290 0.881 1.00 22.35 H new ATOM 0 HB2 GLU A 63 -5.196 -9.609 -0.734 1.00 31.02 H new ATOM 0 HB3 GLU A 63 -3.669 -8.934 -1.269 1.00 31.02 H new ATOM 0 HG2 GLU A 63 -3.128 -8.868 1.322 1.00 73.45 H new ATOM 0 HG3 GLU A 63 -4.405 -10.064 1.421 1.00 73.45 H new ATOM 979 N VAL A 64 -5.025 -6.207 -2.131 1.00 63.20 N ATOM 980 CA VAL A 64 -4.554 -5.260 -3.135 1.00 30.32 C ATOM 981 C VAL A 64 -4.703 -3.823 -2.647 1.00 65.52 C ATOM 982 O VAL A 64 -3.739 -3.057 -2.638 1.00 62.42 O ATOM 983 CB VAL A 64 -5.319 -5.422 -4.462 1.00 33.24 C ATOM 984 CG1 VAL A 64 -4.931 -4.324 -5.440 1.00 0.13 C ATOM 985 CG2 VAL A 64 -5.061 -6.797 -5.061 1.00 15.54 C ATOM 0 H VAL A 64 -5.972 -6.551 -2.287 1.00 63.20 H new ATOM 0 HA VAL A 64 -3.499 -5.476 -3.304 1.00 30.32 H new ATOM 0 HB VAL A 64 -6.386 -5.334 -4.259 1.00 33.24 H new ATOM 0 HG11 VAL A 64 -5.482 -4.455 -6.372 1.00 0.13 H new ATOM 0 HG12 VAL A 64 -5.172 -3.352 -5.010 1.00 0.13 H new ATOM 0 HG13 VAL A 64 -3.861 -4.377 -5.641 1.00 0.13 H new ATOM 0 HG21 VAL A 64 -5.609 -6.894 -5.998 1.00 15.54 H new ATOM 0 HG22 VAL A 64 -3.994 -6.917 -5.250 1.00 15.54 H new ATOM 0 HG23 VAL A 64 -5.394 -7.566 -4.364 1.00 15.54 H new ATOM 995 N ASP A 65 -5.916 -3.465 -2.242 1.00 4.41 N ATOM 996 CA ASP A 65 -6.191 -2.119 -1.751 1.00 21.32 C ATOM 997 C ASP A 65 -5.417 -1.841 -0.466 1.00 41.11 C ATOM 998 O ASP A 65 -5.770 -2.339 0.602 1.00 21.12 O ATOM 999 CB ASP A 65 -7.690 -1.939 -1.507 1.00 60.20 C ATOM 1000 CG ASP A 65 -8.133 -0.498 -1.664 1.00 1.35 C ATOM 1001 OD1 ASP A 65 -7.270 0.401 -1.579 1.00 2.15 O ATOM 1002 OD2 ASP A 65 -9.342 -0.268 -1.872 1.00 34.52 O ATOM 0 H ASP A 65 -6.724 -4.087 -2.244 1.00 4.41 H new ATOM 0 HA ASP A 65 -5.866 -1.408 -2.511 1.00 21.32 H new ATOM 0 HB2 ASP A 65 -8.246 -2.565 -2.204 1.00 60.20 H new ATOM 0 HB3 ASP A 65 -7.936 -2.284 -0.503 1.00 60.20 H new ATOM 1007 N GLU A 66 -4.360 -1.043 -0.579 1.00 42.32 N ATOM 1008 CA GLU A 66 -3.535 -0.700 0.574 1.00 72.33 C ATOM 1009 C GLU A 66 -4.292 0.217 1.530 1.00 4.04 C ATOM 1010 O GLU A 66 -4.124 0.136 2.747 1.00 10.34 O ATOM 1011 CB GLU A 66 -2.240 -0.025 0.120 1.00 44.15 C ATOM 1012 CG GLU A 66 -2.461 1.296 -0.598 1.00 41.00 C ATOM 1013 CD GLU A 66 -1.165 1.934 -1.058 1.00 43.32 C ATOM 1014 OE1 GLU A 66 -0.141 1.766 -0.362 1.00 73.55 O ATOM 1015 OE2 GLU A 66 -1.173 2.602 -2.113 1.00 54.31 O ATOM 0 H GLU A 66 -4.055 -0.622 -1.457 1.00 42.32 H new ATOM 0 HA GLU A 66 -3.289 -1.622 1.100 1.00 72.33 H new ATOM 0 HB2 GLU A 66 -1.605 0.146 0.989 1.00 44.15 H new ATOM 0 HB3 GLU A 66 -1.700 -0.702 -0.541 1.00 44.15 H new ATOM 0 HG2 GLU A 66 -3.107 1.133 -1.460 1.00 41.00 H new ATOM 0 HG3 GLU A 66 -2.984 1.983 0.067 1.00 41.00 H new ATOM 1022 N ASP A 67 -5.123 1.089 0.971 1.00 74.41 N ATOM 1023 CA ASP A 67 -5.906 2.022 1.773 1.00 34.50 C ATOM 1024 C ASP A 67 -7.298 1.462 2.053 1.00 2.31 C ATOM 1025 O ASP A 67 -8.059 2.029 2.836 1.00 75.51 O ATOM 1026 CB ASP A 67 -6.019 3.370 1.060 1.00 11.14 C ATOM 1027 CG ASP A 67 -7.138 3.393 0.038 1.00 34.01 C ATOM 1028 OD1 ASP A 67 -6.913 2.929 -1.100 1.00 0.44 O ATOM 1029 OD2 ASP A 67 -8.240 3.874 0.376 1.00 72.40 O ATOM 0 H ASP A 67 -5.272 1.170 -0.035 1.00 74.41 H new ATOM 0 HA ASP A 67 -5.393 2.165 2.724 1.00 34.50 H new ATOM 0 HB2 ASP A 67 -6.188 4.155 1.797 1.00 11.14 H new ATOM 0 HB3 ASP A 67 -5.074 3.596 0.565 1.00 11.14 H new ATOM 1034 N GLY A 68 -7.623 0.347 1.407 1.00 71.23 N ATOM 1035 CA GLY A 68 -8.923 -0.270 1.599 1.00 42.33 C ATOM 1036 C GLY A 68 -10.065 0.691 1.334 1.00 70.14 C ATOM 1037 O GLY A 68 -10.999 0.790 2.129 1.00 31.01 O ATOM 0 H GLY A 68 -7.010 -0.141 0.754 1.00 71.23 H new ATOM 0 HA2 GLY A 68 -9.015 -1.130 0.936 1.00 42.33 H new ATOM 0 HA3 GLY A 68 -8.997 -0.645 2.620 1.00 42.33 H new ATOM 1041 N SER A 69 -9.990 1.402 0.213 1.00 33.10 N ATOM 1042 CA SER A 69 -11.024 2.364 -0.152 1.00 65.22 C ATOM 1043 C SER A 69 -12.307 1.651 -0.567 1.00 50.14 C ATOM 1044 O SER A 69 -13.370 2.264 -0.658 1.00 4.42 O ATOM 1045 CB SER A 69 -10.535 3.262 -1.290 1.00 44.01 C ATOM 1046 OG SER A 69 -9.409 2.696 -1.939 1.00 71.10 O ATOM 0 H SER A 69 -9.225 1.330 -0.458 1.00 33.10 H new ATOM 0 HA SER A 69 -11.238 2.980 0.721 1.00 65.22 H new ATOM 0 HB2 SER A 69 -11.338 3.410 -2.012 1.00 44.01 H new ATOM 0 HB3 SER A 69 -10.276 4.245 -0.896 1.00 44.01 H new ATOM 0 HG SER A 69 -8.605 3.203 -1.700 1.00 71.10 H new ATOM 1052 N GLY A 70 -12.199 0.350 -0.819 1.00 72.13 N ATOM 1053 CA GLY A 70 -13.357 -0.426 -1.222 1.00 73.23 C ATOM 1054 C GLY A 70 -13.356 -0.743 -2.705 1.00 1.33 C ATOM 1055 O GLY A 70 -14.170 -1.535 -3.179 1.00 73.15 O ATOM 0 H GLY A 70 -11.330 -0.180 -0.751 1.00 72.13 H new ATOM 0 HA2 GLY A 70 -13.382 -1.356 -0.655 1.00 73.23 H new ATOM 0 HA3 GLY A 70 -14.264 0.124 -0.972 1.00 73.23 H new ATOM 1059 N THR A 71 -12.439 -0.121 -3.440 1.00 54.02 N ATOM 1060 CA THR A 71 -12.337 -0.338 -4.878 1.00 31.13 C ATOM 1061 C THR A 71 -10.886 -0.279 -5.341 1.00 21.33 C ATOM 1062 O THR A 71 -10.030 0.289 -4.663 1.00 22.14 O ATOM 1063 CB THR A 71 -13.157 0.703 -5.663 1.00 32.21 C ATOM 1064 OG1 THR A 71 -12.740 2.025 -5.306 1.00 50.43 O ATOM 1065 CG2 THR A 71 -14.644 0.542 -5.384 1.00 51.14 C ATOM 0 H THR A 71 -11.757 0.537 -3.063 1.00 54.02 H new ATOM 0 HA THR A 71 -12.739 -1.331 -5.077 1.00 31.13 H new ATOM 0 HB THR A 71 -12.984 0.543 -6.727 1.00 32.21 H new ATOM 0 HG1 THR A 71 -13.265 2.681 -5.811 1.00 50.43 H new ATOM 0 HG21 THR A 71 -15.203 1.288 -5.949 1.00 51.14 H new ATOM 0 HG22 THR A 71 -14.964 -0.456 -5.684 1.00 51.14 H new ATOM 0 HG23 THR A 71 -14.831 0.678 -4.319 1.00 51.14 H new ATOM 1073 N VAL A 72 -10.615 -0.870 -6.501 1.00 12.54 N ATOM 1074 CA VAL A 72 -9.267 -0.882 -7.056 1.00 20.55 C ATOM 1075 C VAL A 72 -9.059 0.278 -8.022 1.00 74.03 C ATOM 1076 O VAL A 72 -9.785 0.416 -9.007 1.00 14.51 O ATOM 1077 CB VAL A 72 -8.974 -2.205 -7.788 1.00 72.32 C ATOM 1078 CG1 VAL A 72 -7.971 -1.984 -8.910 1.00 54.22 C ATOM 1079 CG2 VAL A 72 -8.469 -3.255 -6.810 1.00 31.10 C ATOM 0 H VAL A 72 -11.311 -1.347 -7.074 1.00 12.54 H new ATOM 0 HA VAL A 72 -8.579 -0.779 -6.217 1.00 20.55 H new ATOM 0 HB VAL A 72 -9.902 -2.569 -8.229 1.00 72.32 H new ATOM 0 HG11 VAL A 72 -7.776 -2.930 -9.416 1.00 54.22 H new ATOM 0 HG12 VAL A 72 -8.376 -1.267 -9.624 1.00 54.22 H new ATOM 0 HG13 VAL A 72 -7.041 -1.596 -8.495 1.00 54.22 H new ATOM 0 HG21 VAL A 72 -8.267 -4.183 -7.345 1.00 31.10 H new ATOM 0 HG22 VAL A 72 -7.552 -2.902 -6.338 1.00 31.10 H new ATOM 0 HG23 VAL A 72 -9.225 -3.434 -6.046 1.00 31.10 H new ATOM 1089 N ASP A 73 -8.064 1.109 -7.735 1.00 2.10 N ATOM 1090 CA ASP A 73 -7.759 2.258 -8.580 1.00 22.11 C ATOM 1091 C ASP A 73 -6.619 1.938 -9.542 1.00 21.42 C ATOM 1092 O ASP A 73 -5.920 0.937 -9.382 1.00 32.45 O ATOM 1093 CB ASP A 73 -7.392 3.468 -7.719 1.00 62.23 C ATOM 1094 CG ASP A 73 -7.439 4.768 -8.498 1.00 35.12 C ATOM 1095 OD1 ASP A 73 -8.380 4.945 -9.299 1.00 74.22 O ATOM 1096 OD2 ASP A 73 -6.535 5.608 -8.306 1.00 53.03 O ATOM 0 H ASP A 73 -7.454 1.009 -6.923 1.00 2.10 H new ATOM 0 HA ASP A 73 -8.648 2.494 -9.165 1.00 22.11 H new ATOM 0 HB2 ASP A 73 -8.077 3.530 -6.873 1.00 62.23 H new ATOM 0 HB3 ASP A 73 -6.391 3.329 -7.310 1.00 62.23 H new ATOM 1101 N PHE A 74 -6.437 2.794 -10.542 1.00 34.40 N ATOM 1102 CA PHE A 74 -5.384 2.601 -11.531 1.00 64.24 C ATOM 1103 C PHE A 74 -4.038 2.363 -10.853 1.00 45.41 C ATOM 1104 O PHE A 74 -3.186 1.642 -11.374 1.00 54.30 O ATOM 1105 CB PHE A 74 -5.294 3.817 -12.456 1.00 32.22 C ATOM 1106 CG PHE A 74 -4.198 3.714 -13.477 1.00 61.24 C ATOM 1107 CD1 PHE A 74 -3.883 2.494 -14.055 1.00 12.23 C ATOM 1108 CD2 PHE A 74 -3.482 4.837 -13.861 1.00 34.33 C ATOM 1109 CE1 PHE A 74 -2.874 2.397 -14.994 1.00 74.32 C ATOM 1110 CE2 PHE A 74 -2.473 4.745 -14.800 1.00 43.42 C ATOM 1111 CZ PHE A 74 -2.169 3.524 -15.368 1.00 71.24 C ATOM 0 H PHE A 74 -7.005 3.628 -10.689 1.00 34.40 H new ATOM 0 HA PHE A 74 -5.634 1.721 -12.123 1.00 64.24 H new ATOM 0 HB2 PHE A 74 -6.247 3.944 -12.969 1.00 32.22 H new ATOM 0 HB3 PHE A 74 -5.135 4.711 -11.853 1.00 32.22 H new ATOM 0 HD1 PHE A 74 -4.432 1.610 -13.768 1.00 12.23 H new ATOM 0 HD2 PHE A 74 -3.716 5.795 -13.421 1.00 34.33 H new ATOM 0 HE1 PHE A 74 -2.637 1.440 -15.435 1.00 74.32 H new ATOM 0 HE2 PHE A 74 -1.922 5.628 -15.090 1.00 43.42 H new ATOM 0 HZ PHE A 74 -1.381 3.450 -16.103 1.00 71.24 H new ATOM 1121 N ASP A 75 -3.853 2.976 -9.689 1.00 24.52 N ATOM 1122 CA ASP A 75 -2.611 2.831 -8.938 1.00 2.32 C ATOM 1123 C ASP A 75 -2.414 1.388 -8.485 1.00 61.24 C ATOM 1124 O ASP A 75 -1.438 0.739 -8.859 1.00 22.50 O ATOM 1125 CB ASP A 75 -2.612 3.763 -7.725 1.00 50.42 C ATOM 1126 CG ASP A 75 -2.279 5.195 -8.095 1.00 55.43 C ATOM 1127 OD1 ASP A 75 -1.100 5.471 -8.399 1.00 20.33 O ATOM 1128 OD2 ASP A 75 -3.199 6.041 -8.081 1.00 5.13 O ATOM 0 H ASP A 75 -4.547 3.578 -9.245 1.00 24.52 H new ATOM 0 HA ASP A 75 -1.785 3.102 -9.595 1.00 2.32 H new ATOM 0 HB2 ASP A 75 -3.592 3.732 -7.248 1.00 50.42 H new ATOM 0 HB3 ASP A 75 -1.889 3.403 -6.993 1.00 50.42 H new ATOM 1133 N GLU A 76 -3.347 0.893 -7.678 1.00 53.42 N ATOM 1134 CA GLU A 76 -3.274 -0.473 -7.174 1.00 13.24 C ATOM 1135 C GLU A 76 -3.383 -1.481 -8.314 1.00 40.43 C ATOM 1136 O GLU A 76 -2.623 -2.447 -8.377 1.00 42.23 O ATOM 1137 CB GLU A 76 -4.384 -0.722 -6.151 1.00 34.35 C ATOM 1138 CG GLU A 76 -4.250 0.116 -4.890 1.00 71.32 C ATOM 1139 CD GLU A 76 -5.592 0.538 -4.325 1.00 12.31 C ATOM 1140 OE1 GLU A 76 -6.616 -0.055 -4.723 1.00 74.04 O ATOM 1141 OE2 GLU A 76 -5.619 1.462 -3.485 1.00 24.21 O ATOM 0 H GLU A 76 -4.162 1.417 -7.359 1.00 53.42 H new ATOM 0 HA GLU A 76 -2.306 -0.603 -6.689 1.00 13.24 H new ATOM 0 HB2 GLU A 76 -5.348 -0.513 -6.615 1.00 34.35 H new ATOM 0 HB3 GLU A 76 -4.384 -1.777 -5.877 1.00 34.35 H new ATOM 0 HG2 GLU A 76 -3.705 -0.453 -4.136 1.00 71.32 H new ATOM 0 HG3 GLU A 76 -3.657 1.004 -5.110 1.00 71.32 H new ATOM 1148 N TRP A 77 -4.333 -1.248 -9.213 1.00 11.25 N ATOM 1149 CA TRP A 77 -4.542 -2.135 -10.351 1.00 33.31 C ATOM 1150 C TRP A 77 -3.232 -2.398 -11.085 1.00 2.33 C ATOM 1151 O TRP A 77 -3.026 -3.477 -11.642 1.00 1.22 O ATOM 1152 CB TRP A 77 -5.568 -1.532 -11.312 1.00 65.14 C ATOM 1153 CG TRP A 77 -6.162 -2.536 -12.253 1.00 52.01 C ATOM 1154 CD1 TRP A 77 -7.347 -3.198 -12.103 1.00 72.12 C ATOM 1155 CD2 TRP A 77 -5.598 -2.993 -13.487 1.00 55.45 C ATOM 1156 NE1 TRP A 77 -7.554 -4.039 -13.170 1.00 51.01 N ATOM 1157 CE2 TRP A 77 -6.496 -3.931 -14.034 1.00 13.24 C ATOM 1158 CE3 TRP A 77 -4.424 -2.699 -14.186 1.00 31.05 C ATOM 1159 CZ2 TRP A 77 -6.254 -4.576 -15.243 1.00 64.02 C ATOM 1160 CZ3 TRP A 77 -4.185 -3.341 -15.386 1.00 4.52 C ATOM 1161 CH2 TRP A 77 -5.096 -4.270 -15.905 1.00 41.53 C ATOM 0 H TRP A 77 -4.970 -0.452 -9.176 1.00 11.25 H new ATOM 0 HA TRP A 77 -4.922 -3.085 -9.974 1.00 33.31 H new ATOM 0 HB2 TRP A 77 -6.368 -1.069 -10.734 1.00 65.14 H new ATOM 0 HB3 TRP A 77 -5.092 -0.740 -11.890 1.00 65.14 H new ATOM 0 HD1 TRP A 77 -8.022 -3.078 -11.269 1.00 72.12 H new ATOM 0 HE1 TRP A 77 -8.364 -4.645 -13.298 1.00 51.01 H new ATOM 0 HE3 TRP A 77 -3.716 -1.983 -13.795 1.00 31.05 H new ATOM 0 HZ2 TRP A 77 -6.955 -5.293 -15.645 1.00 64.02 H new ATOM 0 HZ3 TRP A 77 -3.280 -3.123 -15.933 1.00 4.52 H new ATOM 0 HH2 TRP A 77 -4.880 -4.754 -16.846 1.00 41.53 H new ATOM 1172 N LEU A 78 -2.348 -1.406 -11.082 1.00 13.34 N ATOM 1173 CA LEU A 78 -1.056 -1.530 -11.747 1.00 51.02 C ATOM 1174 C LEU A 78 -0.140 -2.482 -10.985 1.00 11.03 C ATOM 1175 O LEU A 78 0.461 -3.384 -11.569 1.00 52.42 O ATOM 1176 CB LEU A 78 -0.392 -0.158 -11.875 1.00 1.12 C ATOM 1177 CG LEU A 78 -0.910 0.737 -13.001 1.00 74.44 C ATOM 1178 CD1 LEU A 78 -0.668 2.202 -12.674 1.00 60.22 C ATOM 1179 CD2 LEU A 78 -0.251 0.367 -14.322 1.00 60.01 C ATOM 0 H LEU A 78 -2.503 -0.507 -10.626 1.00 13.34 H new ATOM 0 HA LEU A 78 -1.226 -1.939 -12.743 1.00 51.02 H new ATOM 0 HB2 LEU A 78 -0.515 0.372 -10.931 1.00 1.12 H new ATOM 0 HB3 LEU A 78 0.678 -0.307 -12.020 1.00 1.12 H new ATOM 0 HG LEU A 78 -1.984 0.581 -13.097 1.00 74.44 H new ATOM 0 HD11 LEU A 78 -1.043 2.823 -13.487 1.00 60.22 H new ATOM 0 HD12 LEU A 78 -1.188 2.459 -11.751 1.00 60.22 H new ATOM 0 HD13 LEU A 78 0.401 2.375 -12.549 1.00 60.22 H new ATOM 0 HD21 LEU A 78 -0.632 1.014 -15.112 1.00 60.01 H new ATOM 0 HD22 LEU A 78 0.828 0.493 -14.238 1.00 60.01 H new ATOM 0 HD23 LEU A 78 -0.477 -0.672 -14.563 1.00 60.01 H new ATOM 1191 N VAL A 79 -0.040 -2.277 -9.675 1.00 43.42 N ATOM 1192 CA VAL A 79 0.800 -3.119 -8.832 1.00 0.55 C ATOM 1193 C VAL A 79 0.321 -4.566 -8.850 1.00 3.14 C ATOM 1194 O VAL A 79 1.108 -5.493 -8.661 1.00 4.21 O ATOM 1195 CB VAL A 79 0.819 -2.614 -7.376 1.00 52.35 C ATOM 1196 CG1 VAL A 79 1.685 -3.515 -6.510 1.00 0.34 C ATOM 1197 CG2 VAL A 79 1.308 -1.174 -7.319 1.00 35.33 C ATOM 0 H VAL A 79 -0.530 -1.535 -9.175 1.00 43.42 H new ATOM 0 HA VAL A 79 1.810 -3.068 -9.240 1.00 0.55 H new ATOM 0 HB VAL A 79 -0.198 -2.644 -6.985 1.00 52.35 H new ATOM 0 HG11 VAL A 79 1.686 -3.143 -5.485 1.00 0.34 H new ATOM 0 HG12 VAL A 79 1.286 -4.529 -6.527 1.00 0.34 H new ATOM 0 HG13 VAL A 79 2.704 -3.520 -6.896 1.00 0.34 H new ATOM 0 HG21 VAL A 79 1.315 -0.833 -6.284 1.00 35.33 H new ATOM 0 HG22 VAL A 79 2.317 -1.116 -7.727 1.00 35.33 H new ATOM 0 HG23 VAL A 79 0.642 -0.540 -7.905 1.00 35.33 H new ATOM 1207 N MET A 80 -0.975 -4.752 -9.079 1.00 4.14 N ATOM 1208 CA MET A 80 -1.558 -6.088 -9.123 1.00 53.52 C ATOM 1209 C MET A 80 -0.802 -6.979 -10.103 1.00 52.24 C ATOM 1210 O MET A 80 -0.432 -8.105 -9.774 1.00 4.15 O ATOM 1211 CB MET A 80 -3.034 -6.010 -9.520 1.00 43.53 C ATOM 1212 CG MET A 80 -3.664 -7.367 -9.785 1.00 72.03 C ATOM 1213 SD MET A 80 -5.455 -7.276 -9.973 1.00 33.34 S ATOM 1214 CE MET A 80 -5.613 -5.833 -11.021 1.00 14.53 C ATOM 0 H MET A 80 -1.641 -3.995 -9.237 1.00 4.14 H new ATOM 0 HA MET A 80 -1.479 -6.525 -8.128 1.00 53.52 H new ATOM 0 HB2 MET A 80 -3.589 -5.509 -8.727 1.00 43.53 H new ATOM 0 HB3 MET A 80 -3.129 -5.393 -10.414 1.00 43.53 H new ATOM 0 HG2 MET A 80 -3.229 -7.795 -10.688 1.00 72.03 H new ATOM 0 HG3 MET A 80 -3.423 -8.042 -8.964 1.00 72.03 H new ATOM 0 HE1 MET A 80 -6.539 -5.898 -11.593 1.00 14.53 H new ATOM 0 HE2 MET A 80 -5.631 -4.935 -10.403 1.00 14.53 H new ATOM 0 HE3 MET A 80 -4.766 -5.786 -11.706 1.00 14.53 H new ATOM 1224 N MET A 81 -0.577 -6.467 -11.309 1.00 75.12 N ATOM 1225 CA MET A 81 0.135 -7.217 -12.337 1.00 23.54 C ATOM 1226 C MET A 81 1.598 -7.414 -11.950 1.00 52.01 C ATOM 1227 O MET A 81 2.196 -8.446 -12.252 1.00 71.12 O ATOM 1228 CB MET A 81 0.044 -6.495 -13.682 1.00 10.20 C ATOM 1229 CG MET A 81 -0.041 -7.436 -14.873 1.00 14.23 C ATOM 1230 SD MET A 81 -1.688 -8.140 -15.085 1.00 24.23 S ATOM 1231 CE MET A 81 -2.658 -6.658 -15.350 1.00 33.50 C ATOM 0 H MET A 81 -0.877 -5.536 -11.598 1.00 75.12 H new ATOM 0 HA MET A 81 -0.334 -8.197 -12.427 1.00 23.54 H new ATOM 0 HB2 MET A 81 -0.832 -5.847 -13.678 1.00 10.20 H new ATOM 0 HB3 MET A 81 0.916 -5.852 -13.799 1.00 10.20 H new ATOM 0 HG2 MET A 81 0.239 -6.897 -15.778 1.00 14.23 H new ATOM 0 HG3 MET A 81 0.681 -8.242 -14.746 1.00 14.23 H new ATOM 0 HE1 MET A 81 -3.361 -6.531 -14.526 1.00 33.50 H new ATOM 0 HE2 MET A 81 -1.996 -5.794 -15.399 1.00 33.50 H new ATOM 0 HE3 MET A 81 -3.209 -6.746 -16.286 1.00 33.50 H new ATOM 1241 N ALA A 82 2.167 -6.417 -11.281 1.00 25.01 N ATOM 1242 CA ALA A 82 3.559 -6.482 -10.852 1.00 41.20 C ATOM 1243 C ALA A 82 3.803 -7.695 -9.961 1.00 61.01 C ATOM 1244 O ALA A 82 4.908 -8.238 -9.924 1.00 14.40 O ATOM 1245 CB ALA A 82 3.947 -5.203 -10.124 1.00 30.31 C ATOM 0 H ALA A 82 1.686 -5.555 -11.024 1.00 25.01 H new ATOM 0 HA ALA A 82 4.183 -6.585 -11.740 1.00 41.20 H new ATOM 0 HB1 ALA A 82 4.989 -5.265 -9.809 1.00 30.31 H new ATOM 0 HB2 ALA A 82 3.820 -4.351 -10.792 1.00 30.31 H new ATOM 0 HB3 ALA A 82 3.310 -5.075 -9.248 1.00 30.31 H new ATOM 1251 N ARG A 83 2.766 -8.115 -9.244 1.00 72.34 N ATOM 1252 CA ARG A 83 2.869 -9.264 -8.352 1.00 53.41 C ATOM 1253 C ARG A 83 3.029 -10.557 -9.146 1.00 52.33 C ATOM 1254 O ARG A 83 3.570 -11.542 -8.644 1.00 32.52 O ATOM 1255 CB ARG A 83 1.632 -9.353 -7.456 1.00 50.41 C ATOM 1256 CG ARG A 83 0.519 -10.209 -8.038 1.00 21.25 C ATOM 1257 CD ARG A 83 -0.838 -9.815 -7.477 1.00 13.14 C ATOM 1258 NE ARG A 83 -1.934 -10.481 -8.176 1.00 21.25 N ATOM 1259 CZ ARG A 83 -2.246 -11.760 -8.001 1.00 75.54 C ATOM 1260 NH1 ARG A 83 -1.550 -12.507 -7.155 1.00 74.34 N ATOM 1261 NH2 ARG A 83 -3.258 -12.295 -8.674 1.00 23.10 N ATOM 0 H ARG A 83 1.845 -7.677 -9.263 1.00 72.34 H new ATOM 0 HA ARG A 83 3.753 -9.130 -7.728 1.00 53.41 H new ATOM 0 HB2 ARG A 83 1.924 -9.760 -6.488 1.00 50.41 H new ATOM 0 HB3 ARG A 83 1.250 -8.348 -7.277 1.00 50.41 H new ATOM 0 HG2 ARG A 83 0.509 -10.106 -9.123 1.00 21.25 H new ATOM 0 HG3 ARG A 83 0.714 -11.259 -7.819 1.00 21.25 H new ATOM 0 HD2 ARG A 83 -0.879 -10.066 -6.417 1.00 13.14 H new ATOM 0 HD3 ARG A 83 -0.962 -8.735 -7.554 1.00 13.14 H new ATOM 0 HE ARG A 83 -2.490 -9.934 -8.834 1.00 21.25 H new ATOM 0 HH11 ARG A 83 -0.772 -12.100 -6.636 1.00 74.34 H new ATOM 0 HH12 ARG A 83 -1.793 -13.489 -7.023 1.00 74.34 H new ATOM 0 HH21 ARG A 83 -3.796 -11.724 -9.326 1.00 23.10 H new ATOM 0 HH22 ARG A 83 -3.497 -13.277 -8.539 1.00 23.10 H new ATOM 1275 N CYS A 84 2.555 -10.545 -10.387 1.00 71.01 N ATOM 1276 CA CYS A 84 2.644 -11.717 -11.251 1.00 30.24 C ATOM 1277 C CYS A 84 4.086 -11.969 -11.679 1.00 1.23 C ATOM 1278 O CYS A 84 4.409 -13.028 -12.216 1.00 15.01 O ATOM 1279 CB CYS A 84 1.757 -11.537 -12.484 1.00 3.25 C ATOM 1280 SG CYS A 84 1.376 -13.077 -13.350 1.00 72.03 S ATOM 0 H CYS A 84 2.105 -9.737 -10.817 1.00 71.01 H new ATOM 0 HA CYS A 84 2.296 -12.581 -10.686 1.00 30.24 H new ATOM 0 HB2 CYS A 84 0.824 -11.063 -12.181 1.00 3.25 H new ATOM 0 HB3 CYS A 84 2.250 -10.855 -13.177 1.00 3.25 H new ATOM 0 HG CYS A 84 0.620 -12.822 -14.376 1.00 72.03 H new ATOM 1286 N MET A 85 4.949 -10.987 -11.438 1.00 60.13 N ATOM 1287 CA MET A 85 6.357 -11.102 -11.800 1.00 21.43 C ATOM 1288 C MET A 85 7.077 -12.081 -10.877 1.00 51.02 C ATOM 1289 O MET A 85 7.867 -12.910 -11.329 1.00 72.13 O ATOM 1290 CB MET A 85 7.035 -9.732 -11.738 1.00 63.40 C ATOM 1291 CG MET A 85 6.673 -8.822 -12.900 1.00 64.25 C ATOM 1292 SD MET A 85 7.634 -7.296 -12.913 1.00 32.21 S ATOM 1293 CE MET A 85 9.144 -7.853 -13.699 1.00 31.02 C ATOM 0 H MET A 85 4.698 -10.104 -10.994 1.00 60.13 H new ATOM 0 HA MET A 85 6.415 -11.482 -12.820 1.00 21.43 H new ATOM 0 HB2 MET A 85 6.760 -9.242 -10.804 1.00 63.40 H new ATOM 0 HB3 MET A 85 8.116 -9.871 -11.719 1.00 63.40 H new ATOM 0 HG2 MET A 85 6.832 -9.355 -13.837 1.00 64.25 H new ATOM 0 HG3 MET A 85 5.612 -8.578 -12.849 1.00 64.25 H new ATOM 0 HE1 MET A 85 9.841 -7.019 -13.779 1.00 31.02 H new ATOM 0 HE2 MET A 85 9.594 -8.646 -13.102 1.00 31.02 H new ATOM 0 HE3 MET A 85 8.917 -8.233 -14.695 1.00 31.02 H new