USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 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 -104:sc= 1.26 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0926) USER MOD Single : A 11 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.873 USER MOD Single : A 16 GLN : amide:sc= -0.846 K(o=-0.85,f=-2.5!) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.529 (180deg=-1.45!) 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 180:sc= -0.173 USER MOD Single : A 37 SER OG : rot 180:sc= -0.559 USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.348 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= -2.73 (180deg=-2.95) USER MOD Single : A 47 MET CE :methyl -163:sc=-0.00844 (180deg=-0.223) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.141 X(o=-0.14,f=0.098) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 179:sc= 0 (180deg=-0.000137) USER MOD Single : A 80 MET CE :methyl 162:sc= -1.45 (180deg=-1.94) USER MOD Single : A 81 MET CE :methyl -142:sc= -0.346 (180deg=-3.87!) USER MOD Single : A 84 CYS SG : rot -31:sc= 0.023 USER MOD Single : A 85 MET CE :methyl 143:sc= -2.58 (180deg=-4.04!) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 7.036 -4.918 -6.403 1.00 61.40 N ATOM 62 CA TYR A 5 6.290 -4.951 -7.655 1.00 54.31 C ATOM 63 C TYR A 5 6.388 -3.613 -8.382 1.00 73.15 C ATOM 64 O TYR A 5 6.535 -3.566 -9.604 1.00 10.11 O ATOM 65 CB TYR A 5 4.823 -5.293 -7.390 1.00 73.30 C ATOM 66 CG TYR A 5 4.613 -6.699 -6.874 1.00 71.14 C ATOM 67 CD1 TYR A 5 5.222 -7.785 -7.492 1.00 2.41 C ATOM 68 CD2 TYR A 5 3.805 -6.942 -5.771 1.00 31.24 C ATOM 69 CE1 TYR A 5 5.033 -9.071 -7.025 1.00 11.12 C ATOM 70 CE2 TYR A 5 3.611 -8.225 -5.296 1.00 1.22 C ATOM 71 CZ TYR A 5 4.227 -9.286 -5.926 1.00 40.23 C ATOM 72 OH TYR A 5 4.035 -10.565 -5.457 1.00 64.22 O ATOM 0 HA TYR A 5 6.727 -5.722 -8.289 1.00 54.31 H new ATOM 0 HB2 TYR A 5 4.419 -4.585 -6.666 1.00 73.30 H new ATOM 0 HB3 TYR A 5 4.256 -5.165 -8.312 1.00 73.30 H new ATOM 0 HD1 TYR A 5 5.854 -7.620 -8.352 1.00 2.41 H new ATOM 0 HD2 TYR A 5 3.320 -6.114 -5.276 1.00 31.24 H new ATOM 0 HE1 TYR A 5 5.513 -9.904 -7.517 1.00 11.12 H new ATOM 0 HE2 TYR A 5 2.980 -8.396 -4.436 1.00 1.22 H new ATOM 0 HH TYR A 5 3.442 -10.542 -4.677 1.00 64.22 H new ATOM 82 N LYS A 6 6.306 -2.526 -7.622 1.00 75.53 N ATOM 83 CA LYS A 6 6.387 -1.186 -8.191 1.00 35.30 C ATOM 84 C LYS A 6 7.768 -0.930 -8.785 1.00 11.12 C ATOM 85 O LYS A 6 7.903 -0.224 -9.784 1.00 1.14 O ATOM 86 CB LYS A 6 6.077 -0.137 -7.121 1.00 55.55 C ATOM 87 CG LYS A 6 4.636 -0.166 -6.640 1.00 24.14 C ATOM 88 CD LYS A 6 4.557 -0.195 -5.123 1.00 35.45 C ATOM 89 CE LYS A 6 3.295 -0.898 -4.644 1.00 50.23 C ATOM 90 NZ LYS A 6 2.068 -0.300 -5.239 1.00 52.32 N ATOM 0 H LYS A 6 6.183 -2.547 -6.610 1.00 75.53 H new ATOM 0 HA LYS A 6 5.649 -1.111 -8.989 1.00 35.30 H new ATOM 0 HB2 LYS A 6 6.739 -0.293 -6.269 1.00 55.55 H new ATOM 0 HB3 LYS A 6 6.298 0.853 -7.520 1.00 55.55 H new ATOM 0 HG2 LYS A 6 4.108 0.710 -7.016 1.00 24.14 H new ATOM 0 HG3 LYS A 6 4.132 -1.042 -7.049 1.00 24.14 H new ATOM 0 HD2 LYS A 6 5.433 -0.704 -4.722 1.00 35.45 H new ATOM 0 HD3 LYS A 6 4.576 0.824 -4.737 1.00 35.45 H new ATOM 0 HE2 LYS A 6 3.347 -1.955 -4.904 1.00 50.23 H new ATOM 0 HE3 LYS A 6 3.237 -0.840 -3.557 1.00 50.23 H new ATOM 0 HZ1 LYS A 6 1.229 -0.662 -4.742 1.00 52.32 H new ATOM 0 HZ2 LYS A 6 2.106 0.735 -5.145 1.00 52.32 H new ATOM 0 HZ3 LYS A 6 2.011 -0.555 -6.246 1.00 52.32 H new ATOM 104 N ALA A 7 8.791 -1.509 -8.164 1.00 74.13 N ATOM 105 CA ALA A 7 10.161 -1.346 -8.634 1.00 13.20 C ATOM 106 C ALA A 7 10.367 -2.038 -9.977 1.00 30.11 C ATOM 107 O ALA A 7 11.053 -1.517 -10.856 1.00 21.14 O ATOM 108 CB ALA A 7 11.140 -1.887 -7.603 1.00 21.00 C ATOM 0 H ALA A 7 8.696 -2.095 -7.334 1.00 74.13 H new ATOM 0 HA ALA A 7 10.347 -0.281 -8.772 1.00 13.20 H new ATOM 0 HB1 ALA A 7 12.159 -1.759 -7.967 1.00 21.00 H new ATOM 0 HB2 ALA A 7 11.018 -1.344 -6.666 1.00 21.00 H new ATOM 0 HB3 ALA A 7 10.945 -2.946 -7.437 1.00 21.00 H new ATOM 114 N ALA A 8 9.769 -3.215 -10.128 1.00 63.43 N ATOM 115 CA ALA A 8 9.887 -3.978 -11.365 1.00 33.32 C ATOM 116 C ALA A 8 8.926 -3.454 -12.426 1.00 74.45 C ATOM 117 O ALA A 8 9.252 -3.424 -13.613 1.00 72.32 O ATOM 118 CB ALA A 8 9.630 -5.455 -11.100 1.00 45.45 C ATOM 0 H ALA A 8 9.198 -3.661 -9.410 1.00 63.43 H new ATOM 0 HA ALA A 8 10.903 -3.859 -11.742 1.00 33.32 H new ATOM 0 HB1 ALA A 8 9.721 -6.013 -12.032 1.00 45.45 H new ATOM 0 HB2 ALA A 8 10.359 -5.828 -10.381 1.00 45.45 H new ATOM 0 HB3 ALA A 8 8.625 -5.583 -10.697 1.00 45.45 H new ATOM 124 N VAL A 9 7.739 -3.043 -11.992 1.00 55.22 N ATOM 125 CA VAL A 9 6.730 -2.520 -12.906 1.00 14.34 C ATOM 126 C VAL A 9 7.127 -1.146 -13.435 1.00 71.40 C ATOM 127 O VAL A 9 6.770 -0.775 -14.552 1.00 42.44 O ATOM 128 CB VAL A 9 5.353 -2.416 -12.222 1.00 4.32 C ATOM 129 CG1 VAL A 9 5.216 -1.085 -11.497 1.00 23.50 C ATOM 130 CG2 VAL A 9 4.238 -2.595 -13.241 1.00 10.45 C ATOM 0 H VAL A 9 7.452 -3.062 -11.013 1.00 55.22 H new ATOM 0 HA VAL A 9 6.663 -3.221 -13.738 1.00 14.34 H new ATOM 0 HB VAL A 9 5.271 -3.214 -11.484 1.00 4.32 H new ATOM 0 HG11 VAL A 9 4.237 -1.029 -11.020 1.00 23.50 H new ATOM 0 HG12 VAL A 9 5.995 -1.002 -10.739 1.00 23.50 H new ATOM 0 HG13 VAL A 9 5.318 -0.269 -12.212 1.00 23.50 H new ATOM 0 HG21 VAL A 9 3.272 -2.519 -12.741 1.00 10.45 H new ATOM 0 HG22 VAL A 9 4.314 -1.820 -14.004 1.00 10.45 H new ATOM 0 HG23 VAL A 9 4.327 -3.575 -13.710 1.00 10.45 H new ATOM 140 N GLU A 10 7.868 -0.397 -12.625 1.00 22.44 N ATOM 141 CA GLU A 10 8.314 0.936 -13.012 1.00 73.23 C ATOM 142 C GLU A 10 9.405 0.857 -14.076 1.00 24.14 C ATOM 143 O GLU A 10 9.539 1.752 -14.909 1.00 42.22 O ATOM 144 CB GLU A 10 8.830 1.700 -11.791 1.00 51.45 C ATOM 145 CG GLU A 10 7.739 2.426 -11.022 1.00 42.41 C ATOM 146 CD GLU A 10 7.951 3.927 -10.986 1.00 52.54 C ATOM 147 OE1 GLU A 10 9.109 4.360 -10.814 1.00 65.03 O ATOM 148 OE2 GLU A 10 6.957 4.670 -11.131 1.00 32.40 O ATOM 0 H GLU A 10 8.172 -0.691 -11.697 1.00 22.44 H new ATOM 0 HA GLU A 10 7.461 1.470 -13.431 1.00 73.23 H new ATOM 0 HB2 GLU A 10 9.332 1.002 -11.121 1.00 51.45 H new ATOM 0 HB3 GLU A 10 9.578 2.424 -12.115 1.00 51.45 H new ATOM 0 HG2 GLU A 10 6.773 2.210 -11.478 1.00 42.41 H new ATOM 0 HG3 GLU A 10 7.702 2.043 -10.002 1.00 42.41 H new ATOM 155 N GLN A 11 10.183 -0.221 -14.038 1.00 52.52 N ATOM 156 CA GLN A 11 11.263 -0.416 -14.997 1.00 45.24 C ATOM 157 C GLN A 11 10.759 -1.128 -16.248 1.00 40.54 C ATOM 158 O GLN A 11 11.547 -1.550 -17.095 1.00 61.44 O ATOM 159 CB GLN A 11 12.399 -1.220 -14.362 1.00 11.13 C ATOM 160 CG GLN A 11 11.962 -2.576 -13.833 1.00 31.42 C ATOM 161 CD GLN A 11 13.118 -3.388 -13.281 1.00 55.32 C ATOM 162 OE1 GLN A 11 13.605 -4.315 -13.928 1.00 71.03 O ATOM 163 NE2 GLN A 11 13.563 -3.042 -12.079 1.00 22.10 N ATOM 0 H GLN A 11 10.085 -0.971 -13.354 1.00 52.52 H new ATOM 0 HA GLN A 11 11.639 0.565 -15.286 1.00 45.24 H new ATOM 0 HB2 GLN A 11 13.188 -1.364 -15.100 1.00 11.13 H new ATOM 0 HB3 GLN A 11 12.829 -0.642 -13.544 1.00 11.13 H new ATOM 0 HG2 GLN A 11 11.217 -2.433 -13.050 1.00 31.42 H new ATOM 0 HG3 GLN A 11 11.480 -3.136 -14.634 1.00 31.42 H new ATOM 0 HE21 GLN A 11 13.129 -2.266 -11.578 1.00 22.10 H new ATOM 0 HE22 GLN A 11 14.339 -3.552 -11.656 1.00 22.10 H new ATOM 172 N LEU A 12 9.442 -1.257 -16.358 1.00 75.14 N ATOM 173 CA LEU A 12 8.831 -1.918 -17.507 1.00 20.45 C ATOM 174 C LEU A 12 9.003 -1.083 -18.771 1.00 61.01 C ATOM 175 O LEU A 12 9.578 0.005 -18.736 1.00 42.45 O ATOM 176 CB LEU A 12 7.345 -2.169 -17.245 1.00 52.51 C ATOM 177 CG LEU A 12 7.011 -3.376 -16.368 1.00 4.22 C ATOM 178 CD1 LEU A 12 5.524 -3.413 -16.053 1.00 40.51 C ATOM 179 CD2 LEU A 12 7.447 -4.666 -17.048 1.00 14.40 C ATOM 0 H LEU A 12 8.776 -0.913 -15.666 1.00 75.14 H new ATOM 0 HA LEU A 12 9.334 -2.874 -17.655 1.00 20.45 H new ATOM 0 HB2 LEU A 12 6.924 -1.279 -16.778 1.00 52.51 H new ATOM 0 HB3 LEU A 12 6.844 -2.293 -18.205 1.00 52.51 H new ATOM 0 HG LEU A 12 7.557 -3.281 -15.429 1.00 4.22 H new ATOM 0 HD11 LEU A 12 5.306 -4.279 -15.428 1.00 40.51 H new ATOM 0 HD12 LEU A 12 5.241 -2.503 -15.524 1.00 40.51 H new ATOM 0 HD13 LEU A 12 4.957 -3.484 -16.981 1.00 40.51 H new ATOM 0 HD21 LEU A 12 7.202 -5.515 -16.410 1.00 14.40 H new ATOM 0 HD22 LEU A 12 6.929 -4.768 -18.002 1.00 14.40 H new ATOM 0 HD23 LEU A 12 8.523 -4.641 -17.220 1.00 14.40 H new ATOM 191 N THR A 13 8.499 -1.598 -19.888 1.00 73.50 N ATOM 192 CA THR A 13 8.595 -0.900 -21.164 1.00 22.34 C ATOM 193 C THR A 13 7.382 -0.007 -21.394 1.00 40.45 C ATOM 194 O THR A 13 6.317 -0.230 -20.819 1.00 64.15 O ATOM 195 CB THR A 13 8.721 -1.890 -22.338 1.00 14.35 C ATOM 196 OG1 THR A 13 8.479 -1.213 -23.576 1.00 63.23 O ATOM 197 CG2 THR A 13 7.738 -3.041 -22.183 1.00 11.54 C ATOM 0 H THR A 13 8.020 -2.497 -19.935 1.00 73.50 H new ATOM 0 HA THR A 13 9.493 -0.284 -21.121 1.00 22.34 H new ATOM 0 HB THR A 13 9.733 -2.295 -22.337 1.00 14.35 H new ATOM 0 HG1 THR A 13 8.862 -1.733 -24.313 1.00 63.23 H new ATOM 0 HG21 THR A 13 7.845 -3.727 -23.023 1.00 11.54 H new ATOM 0 HG22 THR A 13 7.943 -3.572 -21.253 1.00 11.54 H new ATOM 0 HG23 THR A 13 6.721 -2.650 -22.161 1.00 11.54 H new ATOM 205 N GLU A 14 7.550 1.005 -22.240 1.00 4.41 N ATOM 206 CA GLU A 14 6.467 1.933 -22.546 1.00 24.42 C ATOM 207 C GLU A 14 5.223 1.181 -23.009 1.00 54.43 C ATOM 208 O GLU A 14 4.101 1.535 -22.646 1.00 43.24 O ATOM 209 CB GLU A 14 6.907 2.927 -23.622 1.00 54.33 C ATOM 210 CG GLU A 14 8.199 3.653 -23.289 1.00 43.24 C ATOM 211 CD GLU A 14 9.213 3.585 -24.415 1.00 22.22 C ATOM 212 OE1 GLU A 14 8.952 4.172 -25.486 1.00 24.43 O ATOM 213 OE2 GLU A 14 10.268 2.944 -24.224 1.00 2.22 O ATOM 0 H GLU A 14 8.425 1.203 -22.725 1.00 4.41 H new ATOM 0 HA GLU A 14 6.222 2.480 -21.636 1.00 24.42 H new ATOM 0 HB2 GLU A 14 7.031 2.396 -24.566 1.00 54.33 H new ATOM 0 HB3 GLU A 14 6.116 3.662 -23.771 1.00 54.33 H new ATOM 0 HG2 GLU A 14 7.978 4.697 -23.067 1.00 43.24 H new ATOM 0 HG3 GLU A 14 8.633 3.220 -22.388 1.00 43.24 H new ATOM 220 N GLU A 15 5.430 0.144 -23.814 1.00 21.43 N ATOM 221 CA GLU A 15 4.325 -0.656 -24.328 1.00 33.41 C ATOM 222 C GLU A 15 3.598 -1.373 -23.194 1.00 12.15 C ATOM 223 O GLU A 15 2.390 -1.599 -23.263 1.00 0.05 O ATOM 224 CB GLU A 15 4.836 -1.678 -25.346 1.00 53.33 C ATOM 225 CG GLU A 15 5.717 -2.755 -24.738 1.00 24.22 C ATOM 226 CD GLU A 15 6.057 -3.857 -25.723 1.00 52.43 C ATOM 227 OE1 GLU A 15 6.699 -3.555 -26.751 1.00 23.11 O ATOM 228 OE2 GLU A 15 5.680 -5.019 -25.467 1.00 60.34 O ATOM 0 H GLU A 15 6.352 -0.162 -24.124 1.00 21.43 H new ATOM 0 HA GLU A 15 3.622 0.017 -24.820 1.00 33.41 H new ATOM 0 HB2 GLU A 15 3.983 -2.151 -25.833 1.00 53.33 H new ATOM 0 HB3 GLU A 15 5.397 -1.156 -26.121 1.00 53.33 H new ATOM 0 HG2 GLU A 15 6.639 -2.302 -24.373 1.00 24.22 H new ATOM 0 HG3 GLU A 15 5.212 -3.188 -23.875 1.00 24.22 H new ATOM 235 N GLN A 16 4.343 -1.727 -22.152 1.00 20.33 N ATOM 236 CA GLN A 16 3.770 -2.419 -21.003 1.00 70.32 C ATOM 237 C GLN A 16 2.881 -1.483 -20.191 1.00 44.32 C ATOM 238 O GLN A 16 1.684 -1.725 -20.036 1.00 3.33 O ATOM 239 CB GLN A 16 4.880 -2.985 -20.116 1.00 21.01 C ATOM 240 CG GLN A 16 5.323 -4.384 -20.513 1.00 71.01 C ATOM 241 CD GLN A 16 4.241 -5.423 -20.292 1.00 24.10 C ATOM 242 OE1 GLN A 16 3.354 -5.245 -19.457 1.00 2.40 O ATOM 243 NE2 GLN A 16 4.309 -6.517 -21.041 1.00 64.42 N ATOM 0 H GLN A 16 5.344 -1.546 -22.079 1.00 20.33 H new ATOM 0 HA GLN A 16 3.157 -3.240 -21.374 1.00 70.32 H new ATOM 0 HB2 GLN A 16 5.740 -2.316 -20.154 1.00 21.01 H new ATOM 0 HB3 GLN A 16 4.534 -3.002 -19.082 1.00 21.01 H new ATOM 0 HG2 GLN A 16 5.613 -4.385 -21.564 1.00 71.01 H new ATOM 0 HG3 GLN A 16 6.207 -4.658 -19.938 1.00 71.01 H new ATOM 0 HE21 GLN A 16 5.062 -6.623 -21.721 1.00 64.42 H new ATOM 0 HE22 GLN A 16 3.609 -7.251 -20.936 1.00 64.42 H new ATOM 252 N LYS A 17 3.475 -0.412 -19.675 1.00 30.14 N ATOM 253 CA LYS A 17 2.738 0.562 -18.879 1.00 2.53 C ATOM 254 C LYS A 17 1.551 1.117 -19.660 1.00 21.12 C ATOM 255 O LYS A 17 0.511 1.433 -19.084 1.00 51.12 O ATOM 256 CB LYS A 17 3.661 1.706 -18.453 1.00 44.41 C ATOM 257 CG LYS A 17 3.678 1.949 -16.954 1.00 21.32 C ATOM 258 CD LYS A 17 4.425 0.848 -16.219 1.00 44.24 C ATOM 259 CE LYS A 17 4.351 1.034 -14.712 1.00 0.34 C ATOM 260 NZ LYS A 17 5.212 2.158 -14.248 1.00 71.43 N ATOM 0 H LYS A 17 4.465 -0.197 -19.794 1.00 30.14 H new ATOM 0 HA LYS A 17 2.361 0.056 -17.990 1.00 2.53 H new ATOM 0 HB2 LYS A 17 4.675 1.488 -18.788 1.00 44.41 H new ATOM 0 HB3 LYS A 17 3.348 2.620 -18.957 1.00 44.41 H new ATOM 0 HG2 LYS A 17 4.148 2.910 -16.746 1.00 21.32 H new ATOM 0 HG3 LYS A 17 2.655 2.007 -16.582 1.00 21.32 H new ATOM 0 HD2 LYS A 17 4.004 -0.121 -16.488 1.00 44.24 H new ATOM 0 HD3 LYS A 17 5.468 0.841 -16.535 1.00 44.24 H new ATOM 0 HE2 LYS A 17 3.318 1.223 -14.420 1.00 0.34 H new ATOM 0 HE3 LYS A 17 4.658 0.113 -14.217 1.00 0.34 H new ATOM 0 HZ1 LYS A 17 5.504 1.988 -13.265 1.00 71.43 H new ATOM 0 HZ2 LYS A 17 6.055 2.222 -14.854 1.00 71.43 H new ATOM 0 HZ3 LYS A 17 4.678 3.049 -14.302 1.00 71.43 H new ATOM 274 N ASN A 18 1.714 1.231 -20.974 1.00 22.51 N ATOM 275 CA ASN A 18 0.655 1.746 -21.834 1.00 30.02 C ATOM 276 C ASN A 18 -0.526 0.781 -21.880 1.00 62.04 C ATOM 277 O ASN A 18 -1.681 1.201 -21.940 1.00 2.10 O ATOM 278 CB ASN A 18 1.189 1.985 -23.248 1.00 15.44 C ATOM 279 CG ASN A 18 0.077 2.104 -24.273 1.00 1.34 C ATOM 280 OD1 ASN A 18 -0.781 2.982 -24.175 1.00 44.05 O ATOM 281 ND2 ASN A 18 0.088 1.219 -25.262 1.00 33.51 N ATOM 0 H ASN A 18 2.569 0.974 -21.466 1.00 22.51 H new ATOM 0 HA ASN A 18 0.311 2.693 -21.418 1.00 30.02 H new ATOM 0 HB2 ASN A 18 1.788 2.896 -23.258 1.00 15.44 H new ATOM 0 HB3 ASN A 18 1.851 1.165 -23.527 1.00 15.44 H new ATOM 0 HD21 ASN A 18 -0.635 1.249 -25.981 1.00 33.51 H new ATOM 0 HD22 ASN A 18 0.819 0.509 -25.303 1.00 33.51 H new ATOM 288 N GLU A 19 -0.226 -0.514 -21.852 1.00 53.13 N ATOM 289 CA GLU A 19 -1.263 -1.538 -21.892 1.00 35.23 C ATOM 290 C GLU A 19 -2.096 -1.519 -20.613 1.00 23.23 C ATOM 291 O GLU A 19 -3.323 -1.606 -20.656 1.00 70.20 O ATOM 292 CB GLU A 19 -0.638 -2.921 -22.086 1.00 75.20 C ATOM 293 CG GLU A 19 -0.406 -3.285 -23.543 1.00 1.31 C ATOM 294 CD GLU A 19 0.019 -4.729 -23.723 1.00 73.21 C ATOM 295 OE1 GLU A 19 -0.012 -5.486 -22.730 1.00 43.51 O ATOM 296 OE2 GLU A 19 0.381 -5.103 -24.858 1.00 64.13 O ATOM 0 H GLU A 19 0.725 -0.878 -21.802 1.00 53.13 H new ATOM 0 HA GLU A 19 -1.919 -1.322 -22.736 1.00 35.23 H new ATOM 0 HB2 GLU A 19 0.313 -2.958 -21.555 1.00 75.20 H new ATOM 0 HB3 GLU A 19 -1.286 -3.670 -21.632 1.00 75.20 H new ATOM 0 HG2 GLU A 19 -1.321 -3.106 -24.108 1.00 1.31 H new ATOM 0 HG3 GLU A 19 0.359 -2.630 -23.960 1.00 1.31 H new ATOM 303 N PHE A 20 -1.419 -1.406 -19.475 1.00 4.41 N ATOM 304 CA PHE A 20 -2.094 -1.377 -18.183 1.00 11.21 C ATOM 305 C PHE A 20 -2.930 -0.109 -18.034 1.00 72.04 C ATOM 306 O PHE A 20 -4.042 -0.143 -17.506 1.00 42.51 O ATOM 307 CB PHE A 20 -1.072 -1.463 -17.047 1.00 73.32 C ATOM 308 CG PHE A 20 -0.248 -2.719 -17.077 1.00 1.51 C ATOM 309 CD1 PHE A 20 -0.826 -3.949 -16.809 1.00 25.04 C ATOM 310 CD2 PHE A 20 1.105 -2.668 -17.373 1.00 12.23 C ATOM 311 CE1 PHE A 20 -0.070 -5.106 -16.835 1.00 61.14 C ATOM 312 CE2 PHE A 20 1.865 -3.821 -17.401 1.00 63.55 C ATOM 313 CZ PHE A 20 1.278 -5.042 -17.131 1.00 54.13 C ATOM 0 H PHE A 20 -0.403 -1.333 -19.421 1.00 4.41 H new ATOM 0 HA PHE A 20 -2.759 -2.239 -18.130 1.00 11.21 H new ATOM 0 HB2 PHE A 20 -0.408 -0.601 -17.100 1.00 73.32 H new ATOM 0 HB3 PHE A 20 -1.595 -1.404 -16.093 1.00 73.32 H new ATOM 0 HD1 PHE A 20 -1.879 -4.005 -16.577 1.00 25.04 H new ATOM 0 HD2 PHE A 20 1.570 -1.716 -17.584 1.00 12.23 H new ATOM 0 HE1 PHE A 20 -0.533 -6.059 -16.624 1.00 61.14 H new ATOM 0 HE2 PHE A 20 2.918 -3.768 -17.634 1.00 63.55 H new ATOM 0 HZ PHE A 20 1.871 -5.944 -17.151 1.00 54.13 H new ATOM 323 N LYS A 21 -2.387 1.009 -18.504 1.00 21.02 N ATOM 324 CA LYS A 21 -3.081 2.289 -18.425 1.00 43.01 C ATOM 325 C LYS A 21 -4.211 2.359 -19.447 1.00 31.11 C ATOM 326 O LYS A 21 -5.296 2.860 -19.153 1.00 42.30 O ATOM 327 CB LYS A 21 -2.099 3.440 -18.656 1.00 24.23 C ATOM 328 CG LYS A 21 -2.627 4.790 -18.205 1.00 15.33 C ATOM 329 CD LYS A 21 -1.587 5.884 -18.381 1.00 72.30 C ATOM 330 CE LYS A 21 -0.586 5.890 -17.236 1.00 11.51 C ATOM 331 NZ LYS A 21 0.541 6.829 -17.490 1.00 45.34 N ATOM 0 H LYS A 21 -1.468 1.054 -18.944 1.00 21.02 H new ATOM 0 HA LYS A 21 -3.510 2.380 -17.427 1.00 43.01 H new ATOM 0 HB2 LYS A 21 -1.171 3.227 -18.125 1.00 24.23 H new ATOM 0 HB3 LYS A 21 -1.855 3.491 -19.717 1.00 24.23 H new ATOM 0 HG2 LYS A 21 -3.521 5.041 -18.776 1.00 15.33 H new ATOM 0 HG3 LYS A 21 -2.924 4.734 -17.158 1.00 15.33 H new ATOM 0 HD2 LYS A 21 -1.061 5.739 -19.325 1.00 72.30 H new ATOM 0 HD3 LYS A 21 -2.083 6.853 -18.438 1.00 72.30 H new ATOM 0 HE2 LYS A 21 -1.092 6.171 -16.313 1.00 11.51 H new ATOM 0 HE3 LYS A 21 -0.194 4.883 -17.091 1.00 11.51 H new ATOM 0 HZ1 LYS A 21 1.201 6.804 -16.687 1.00 45.34 H new ATOM 0 HZ2 LYS A 21 1.040 6.546 -18.357 1.00 45.34 H new ATOM 0 HZ3 LYS A 21 0.170 7.794 -17.603 1.00 45.34 H new ATOM 345 N ALA A 22 -3.950 1.852 -20.647 1.00 62.42 N ATOM 346 CA ALA A 22 -4.947 1.854 -21.711 1.00 25.42 C ATOM 347 C ALA A 22 -6.076 0.875 -21.406 1.00 50.44 C ATOM 348 O ALA A 22 -7.250 1.244 -21.421 1.00 40.21 O ATOM 349 CB ALA A 22 -4.296 1.514 -23.044 1.00 15.01 C ATOM 0 H ALA A 22 -3.056 1.434 -20.907 1.00 62.42 H new ATOM 0 HA ALA A 22 -5.375 2.854 -21.773 1.00 25.42 H new ATOM 0 HB1 ALA A 22 -5.052 1.519 -23.830 1.00 15.01 H new ATOM 0 HB2 ALA A 22 -3.529 2.254 -23.273 1.00 15.01 H new ATOM 0 HB3 ALA A 22 -3.841 0.525 -22.985 1.00 15.01 H new ATOM 355 N ALA A 23 -5.713 -0.373 -21.132 1.00 32.24 N ATOM 356 CA ALA A 23 -6.696 -1.404 -20.823 1.00 15.04 C ATOM 357 C ALA A 23 -7.547 -1.009 -19.620 1.00 43.20 C ATOM 358 O ALA A 23 -8.757 -1.234 -19.602 1.00 20.02 O ATOM 359 CB ALA A 23 -6.004 -2.734 -20.567 1.00 61.54 C ATOM 0 H ALA A 23 -4.745 -0.695 -21.118 1.00 32.24 H new ATOM 0 HA ALA A 23 -7.356 -1.510 -21.684 1.00 15.04 H new ATOM 0 HB1 ALA A 23 -6.751 -3.494 -20.338 1.00 61.54 H new ATOM 0 HB2 ALA A 23 -5.445 -3.030 -21.455 1.00 61.54 H new ATOM 0 HB3 ALA A 23 -5.319 -2.632 -19.725 1.00 61.54 H new ATOM 365 N PHE A 24 -6.906 -0.419 -18.616 1.00 62.03 N ATOM 366 CA PHE A 24 -7.603 0.006 -17.408 1.00 55.04 C ATOM 367 C PHE A 24 -8.691 1.024 -17.738 1.00 41.32 C ATOM 368 O PHE A 24 -9.698 1.122 -17.037 1.00 1.43 O ATOM 369 CB PHE A 24 -6.614 0.606 -16.407 1.00 33.31 C ATOM 370 CG PHE A 24 -7.272 1.178 -15.184 1.00 32.22 C ATOM 371 CD1 PHE A 24 -7.776 0.344 -14.198 1.00 52.52 C ATOM 372 CD2 PHE A 24 -7.386 2.549 -15.019 1.00 71.24 C ATOM 373 CE1 PHE A 24 -8.383 0.868 -13.072 1.00 42.53 C ATOM 374 CE2 PHE A 24 -7.991 3.079 -13.895 1.00 73.33 C ATOM 375 CZ PHE A 24 -8.489 2.237 -12.920 1.00 53.21 C ATOM 0 H PHE A 24 -5.905 -0.224 -18.615 1.00 62.03 H new ATOM 0 HA PHE A 24 -8.073 -0.871 -16.962 1.00 55.04 H new ATOM 0 HB2 PHE A 24 -5.906 -0.164 -16.102 1.00 33.31 H new ATOM 0 HB3 PHE A 24 -6.040 1.390 -16.901 1.00 33.31 H new ATOM 0 HD1 PHE A 24 -7.694 -0.727 -14.311 1.00 52.52 H new ATOM 0 HD2 PHE A 24 -6.997 3.212 -15.778 1.00 71.24 H new ATOM 0 HE1 PHE A 24 -8.774 0.208 -12.312 1.00 42.53 H new ATOM 0 HE2 PHE A 24 -8.074 4.150 -13.779 1.00 73.33 H new ATOM 0 HZ PHE A 24 -8.961 2.648 -12.040 1.00 53.21 H new ATOM 385 N ASP A 25 -8.479 1.780 -18.810 1.00 15.31 N ATOM 386 CA ASP A 25 -9.441 2.791 -19.234 1.00 41.42 C ATOM 387 C ASP A 25 -10.760 2.147 -19.650 1.00 24.22 C ATOM 388 O ASP A 25 -11.836 2.664 -19.350 1.00 51.21 O ATOM 389 CB ASP A 25 -8.872 3.612 -20.393 1.00 75.10 C ATOM 390 CG ASP A 25 -9.686 4.860 -20.672 1.00 40.42 C ATOM 391 OD1 ASP A 25 -10.147 5.497 -19.702 1.00 33.40 O ATOM 392 OD2 ASP A 25 -9.862 5.201 -21.861 1.00 71.30 O ATOM 0 H ASP A 25 -7.650 1.712 -19.401 1.00 15.31 H new ATOM 0 HA ASP A 25 -9.632 3.452 -18.389 1.00 41.42 H new ATOM 0 HB2 ASP A 25 -7.845 3.895 -20.164 1.00 75.10 H new ATOM 0 HB3 ASP A 25 -8.840 2.994 -21.291 1.00 75.10 H new ATOM 397 N ILE A 26 -10.667 1.016 -20.342 1.00 14.23 N ATOM 398 CA ILE A 26 -11.853 0.302 -20.798 1.00 71.22 C ATOM 399 C ILE A 26 -12.651 -0.248 -19.621 1.00 12.32 C ATOM 400 O ILE A 26 -13.882 -0.250 -19.638 1.00 53.23 O ATOM 401 CB ILE A 26 -11.483 -0.860 -21.740 1.00 1.44 C ATOM 402 CG1 ILE A 26 -10.813 -0.324 -23.007 1.00 22.24 C ATOM 403 CG2 ILE A 26 -12.721 -1.672 -22.091 1.00 45.40 C ATOM 404 CD1 ILE A 26 -9.325 -0.592 -23.063 1.00 11.14 C ATOM 0 H ILE A 26 -9.784 0.575 -20.599 1.00 14.23 H new ATOM 0 HA ILE A 26 -12.464 1.022 -21.343 1.00 71.22 H new ATOM 0 HB ILE A 26 -10.777 -1.514 -21.227 1.00 1.44 H new ATOM 0 HG12 ILE A 26 -11.288 -0.775 -23.878 1.00 22.24 H new ATOM 0 HG13 ILE A 26 -10.983 0.751 -23.072 1.00 22.24 H new ATOM 0 HG21 ILE A 26 -12.443 -2.489 -22.757 1.00 45.40 H new ATOM 0 HG22 ILE A 26 -13.159 -2.079 -21.180 1.00 45.40 H new ATOM 0 HG23 ILE A 26 -13.448 -1.030 -22.588 1.00 45.40 H new ATOM 0 HD11 ILE A 26 -8.916 -0.185 -23.988 1.00 11.14 H new ATOM 0 HD12 ILE A 26 -8.838 -0.118 -22.211 1.00 11.14 H new ATOM 0 HD13 ILE A 26 -9.147 -1.667 -23.030 1.00 11.14 H new ATOM 416 N PHE A 27 -11.942 -0.712 -18.597 1.00 41.43 N ATOM 417 CA PHE A 27 -12.584 -1.263 -17.410 1.00 22.32 C ATOM 418 C PHE A 27 -13.411 -0.199 -16.695 1.00 31.13 C ATOM 419 O PHE A 27 -14.596 -0.395 -16.425 1.00 31.42 O ATOM 420 CB PHE A 27 -11.533 -1.835 -16.456 1.00 35.45 C ATOM 421 CG PHE A 27 -11.144 -3.251 -16.772 1.00 44.11 C ATOM 422 CD1 PHE A 27 -11.867 -4.314 -16.257 1.00 23.53 C ATOM 423 CD2 PHE A 27 -10.053 -3.518 -17.585 1.00 15.13 C ATOM 424 CE1 PHE A 27 -11.511 -5.618 -16.546 1.00 62.34 C ATOM 425 CE2 PHE A 27 -9.693 -4.820 -17.878 1.00 51.51 C ATOM 426 CZ PHE A 27 -10.422 -5.871 -17.357 1.00 61.04 C ATOM 0 H PHE A 27 -10.922 -0.717 -18.566 1.00 41.43 H new ATOM 0 HA PHE A 27 -13.252 -2.064 -17.727 1.00 22.32 H new ATOM 0 HB2 PHE A 27 -10.643 -1.206 -16.489 1.00 35.45 H new ATOM 0 HB3 PHE A 27 -11.917 -1.791 -15.437 1.00 35.45 H new ATOM 0 HD1 PHE A 27 -12.719 -4.122 -15.622 1.00 23.53 H new ATOM 0 HD2 PHE A 27 -9.478 -2.700 -17.994 1.00 15.13 H new ATOM 0 HE1 PHE A 27 -12.084 -6.438 -16.138 1.00 62.34 H new ATOM 0 HE2 PHE A 27 -8.842 -5.015 -18.514 1.00 51.51 H new ATOM 0 HZ PHE A 27 -10.141 -6.889 -17.583 1.00 61.04 H new ATOM 436 N VAL A 28 -12.777 0.929 -16.390 1.00 33.10 N ATOM 437 CA VAL A 28 -13.453 2.025 -15.707 1.00 13.13 C ATOM 438 C VAL A 28 -14.183 2.924 -16.698 1.00 41.34 C ATOM 439 O VAL A 28 -14.738 3.958 -16.324 1.00 43.41 O ATOM 440 CB VAL A 28 -12.461 2.876 -14.893 1.00 2.43 C ATOM 441 CG1 VAL A 28 -11.636 1.996 -13.967 1.00 31.45 C ATOM 442 CG2 VAL A 28 -11.561 3.678 -15.821 1.00 22.11 C ATOM 0 H VAL A 28 -11.796 1.107 -16.605 1.00 33.10 H new ATOM 0 HA VAL A 28 -14.177 1.575 -15.028 1.00 13.13 H new ATOM 0 HB VAL A 28 -13.028 3.576 -14.279 1.00 2.43 H new ATOM 0 HG11 VAL A 28 -10.941 2.615 -13.400 1.00 31.45 H new ATOM 0 HG12 VAL A 28 -12.298 1.471 -13.279 1.00 31.45 H new ATOM 0 HG13 VAL A 28 -11.077 1.270 -14.557 1.00 31.45 H new ATOM 0 HG21 VAL A 28 -10.866 4.274 -15.229 1.00 22.11 H new ATOM 0 HG22 VAL A 28 -11.001 2.998 -16.462 1.00 22.11 H new ATOM 0 HG23 VAL A 28 -12.171 4.338 -16.438 1.00 22.11 H new ATOM 452 N LEU A 29 -14.179 2.524 -17.965 1.00 70.10 N ATOM 453 CA LEU A 29 -14.841 3.293 -19.013 1.00 14.24 C ATOM 454 C LEU A 29 -16.342 3.386 -18.754 1.00 62.12 C ATOM 455 O LEU A 29 -17.021 4.262 -19.288 1.00 31.21 O ATOM 456 CB LEU A 29 -14.586 2.656 -20.380 1.00 33.24 C ATOM 457 CG LEU A 29 -15.777 1.941 -21.019 1.00 63.44 C ATOM 458 CD1 LEU A 29 -16.618 2.919 -21.824 1.00 0.31 C ATOM 459 CD2 LEU A 29 -15.300 0.795 -21.900 1.00 70.21 C ATOM 0 H LEU A 29 -13.724 1.671 -18.291 1.00 70.10 H new ATOM 0 HA LEU A 29 -14.426 4.301 -19.007 1.00 14.24 H new ATOM 0 HB2 LEU A 29 -14.245 3.434 -21.063 1.00 33.24 H new ATOM 0 HB3 LEU A 29 -13.770 1.941 -20.279 1.00 33.24 H new ATOM 0 HG LEU A 29 -16.398 1.529 -20.224 1.00 63.44 H new ATOM 0 HD11 LEU A 29 -17.461 2.392 -22.271 1.00 0.31 H new ATOM 0 HD12 LEU A 29 -16.989 3.706 -21.167 1.00 0.31 H new ATOM 0 HD13 LEU A 29 -16.008 3.361 -22.611 1.00 0.31 H new ATOM 0 HD21 LEU A 29 -16.161 0.297 -22.347 1.00 70.21 H new ATOM 0 HD22 LEU A 29 -14.657 1.186 -22.689 1.00 70.21 H new ATOM 0 HD23 LEU A 29 -14.741 0.080 -21.296 1.00 70.21 H new ATOM 471 N GLY A 30 -16.853 2.477 -17.929 1.00 65.53 N ATOM 472 CA GLY A 30 -18.269 2.474 -17.613 1.00 2.54 C ATOM 473 C GLY A 30 -18.560 3.082 -16.255 1.00 31.02 C ATOM 474 O GLY A 30 -19.684 3.505 -15.985 1.00 3.30 O ATOM 0 H GLY A 30 -16.311 1.742 -17.474 1.00 65.53 H new ATOM 0 HA2 GLY A 30 -18.811 3.028 -18.380 1.00 2.54 H new ATOM 0 HA3 GLY A 30 -18.642 1.450 -17.637 1.00 2.54 H new ATOM 478 N ALA A 31 -17.546 3.124 -15.397 1.00 21.40 N ATOM 479 CA ALA A 31 -17.699 3.684 -14.060 1.00 63.01 C ATOM 480 C ALA A 31 -17.783 5.206 -14.109 1.00 34.30 C ATOM 481 O ALA A 31 -17.522 5.818 -15.144 1.00 64.50 O ATOM 482 CB ALA A 31 -16.546 3.246 -13.169 1.00 65.03 C ATOM 0 H ALA A 31 -16.610 2.777 -15.604 1.00 21.40 H new ATOM 0 HA ALA A 31 -18.632 3.308 -13.640 1.00 63.01 H new ATOM 0 HB1 ALA A 31 -16.673 3.672 -12.174 1.00 65.03 H new ATOM 0 HB2 ALA A 31 -16.533 2.158 -13.100 1.00 65.03 H new ATOM 0 HB3 ALA A 31 -15.605 3.594 -13.595 1.00 65.03 H new ATOM 488 N GLU A 32 -18.151 5.810 -12.983 1.00 73.15 N ATOM 489 CA GLU A 32 -18.272 7.261 -12.900 1.00 63.32 C ATOM 490 C GLU A 32 -17.126 7.856 -12.087 1.00 45.04 C ATOM 491 O GLU A 32 -16.749 9.012 -12.279 1.00 53.44 O ATOM 492 CB GLU A 32 -19.612 7.648 -12.272 1.00 50.30 C ATOM 493 CG GLU A 32 -20.073 9.050 -12.637 1.00 24.42 C ATOM 494 CD GLU A 32 -21.216 9.533 -11.766 1.00 71.00 C ATOM 495 OE1 GLU A 32 -21.192 9.258 -10.548 1.00 53.42 O ATOM 496 OE2 GLU A 32 -22.135 10.186 -12.303 1.00 41.44 O ATOM 0 H GLU A 32 -18.370 5.318 -12.117 1.00 73.15 H new ATOM 0 HA GLU A 32 -18.224 7.663 -13.912 1.00 63.32 H new ATOM 0 HB2 GLU A 32 -20.371 6.932 -12.586 1.00 50.30 H new ATOM 0 HB3 GLU A 32 -19.531 7.572 -11.188 1.00 50.30 H new ATOM 0 HG2 GLU A 32 -19.234 9.740 -12.545 1.00 24.42 H new ATOM 0 HG3 GLU A 32 -20.385 9.066 -13.681 1.00 24.42 H new ATOM 503 N ASP A 33 -16.576 7.058 -11.179 1.00 65.11 N ATOM 504 CA ASP A 33 -15.472 7.504 -10.337 1.00 11.44 C ATOM 505 C ASP A 33 -14.150 6.913 -10.815 1.00 4.13 C ATOM 506 O ASP A 33 -13.167 6.884 -10.075 1.00 13.23 O ATOM 507 CB ASP A 33 -15.723 7.112 -8.880 1.00 15.12 C ATOM 508 CG ASP A 33 -16.626 8.096 -8.163 1.00 15.33 C ATOM 509 OD1 ASP A 33 -17.828 8.152 -8.498 1.00 62.15 O ATOM 510 OD2 ASP A 33 -16.132 8.812 -7.266 1.00 63.33 O ATOM 0 H ASP A 33 -16.877 6.099 -11.007 1.00 65.11 H new ATOM 0 HA ASP A 33 -15.410 8.590 -10.408 1.00 11.44 H new ATOM 0 HB2 ASP A 33 -16.173 6.120 -8.846 1.00 15.12 H new ATOM 0 HB3 ASP A 33 -14.770 7.048 -8.355 1.00 15.12 H new ATOM 515 N GLY A 34 -14.133 6.441 -12.058 1.00 30.04 N ATOM 516 CA GLY A 34 -12.927 5.856 -12.613 1.00 23.53 C ATOM 517 C GLY A 34 -12.335 4.787 -11.715 1.00 43.11 C ATOM 518 O GLY A 34 -11.144 4.819 -11.403 1.00 64.12 O ATOM 0 H GLY A 34 -14.933 6.454 -12.690 1.00 30.04 H new ATOM 0 HA2 GLY A 34 -13.152 5.424 -13.588 1.00 23.53 H new ATOM 0 HA3 GLY A 34 -12.188 6.640 -12.775 1.00 23.53 H new ATOM 522 N CYS A 35 -13.167 3.840 -11.297 1.00 71.14 N ATOM 523 CA CYS A 35 -12.720 2.758 -10.428 1.00 25.15 C ATOM 524 C CYS A 35 -13.469 1.466 -10.737 1.00 11.20 C ATOM 525 O CYS A 35 -14.409 1.458 -11.533 1.00 20.25 O ATOM 526 CB CYS A 35 -12.920 3.139 -8.960 1.00 51.21 C ATOM 527 SG CYS A 35 -14.564 3.792 -8.585 1.00 32.51 S ATOM 0 H CYS A 35 -14.155 3.800 -11.546 1.00 71.14 H new ATOM 0 HA CYS A 35 -11.658 2.593 -10.612 1.00 25.15 H new ATOM 0 HB2 CYS A 35 -12.739 2.261 -8.340 1.00 51.21 H new ATOM 0 HB3 CYS A 35 -12.173 3.883 -8.684 1.00 51.21 H new ATOM 0 HG CYS A 35 -14.637 4.083 -7.320 1.00 32.51 H new ATOM 533 N ILE A 36 -13.046 0.377 -10.105 1.00 31.14 N ATOM 534 CA ILE A 36 -13.677 -0.920 -10.313 1.00 72.41 C ATOM 535 C ILE A 36 -13.984 -1.602 -8.984 1.00 61.52 C ATOM 536 O ILE A 36 -13.076 -2.007 -8.258 1.00 41.12 O ATOM 537 CB ILE A 36 -12.788 -1.849 -11.161 1.00 20.22 C ATOM 538 CG1 ILE A 36 -12.499 -1.212 -12.522 1.00 33.42 C ATOM 539 CG2 ILE A 36 -13.454 -3.206 -11.335 1.00 40.12 C ATOM 540 CD1 ILE A 36 -11.047 -1.300 -12.934 1.00 5.21 C ATOM 0 H ILE A 36 -12.269 0.367 -9.445 1.00 31.14 H new ATOM 0 HA ILE A 36 -14.609 -0.735 -10.847 1.00 72.41 H new ATOM 0 HB ILE A 36 -11.841 -1.995 -10.641 1.00 20.22 H new ATOM 0 HG12 ILE A 36 -13.113 -1.699 -13.280 1.00 33.42 H new ATOM 0 HG13 ILE A 36 -12.798 -0.164 -12.494 1.00 33.42 H new ATOM 0 HG21 ILE A 36 -12.814 -3.851 -11.936 1.00 40.12 H new ATOM 0 HG22 ILE A 36 -13.613 -3.662 -10.358 1.00 40.12 H new ATOM 0 HG23 ILE A 36 -14.414 -3.079 -11.836 1.00 40.12 H new ATOM 0 HD11 ILE A 36 -10.916 -0.829 -13.908 1.00 5.21 H new ATOM 0 HD12 ILE A 36 -10.428 -0.788 -12.197 1.00 5.21 H new ATOM 0 HD13 ILE A 36 -10.749 -2.347 -12.994 1.00 5.21 H new ATOM 552 N SER A 37 -15.270 -1.728 -8.673 1.00 30.41 N ATOM 553 CA SER A 37 -15.697 -2.360 -7.430 1.00 74.00 C ATOM 554 C SER A 37 -15.867 -3.865 -7.616 1.00 14.21 C ATOM 555 O SER A 37 -16.271 -4.330 -8.683 1.00 0.54 O ATOM 556 CB SER A 37 -17.011 -1.743 -6.945 1.00 24.01 C ATOM 557 OG SER A 37 -18.096 -2.147 -7.761 1.00 51.14 O ATOM 0 H SER A 37 -16.034 -1.401 -9.264 1.00 30.41 H new ATOM 0 HA SER A 37 -14.925 -2.189 -6.680 1.00 74.00 H new ATOM 0 HB2 SER A 37 -17.197 -2.041 -5.913 1.00 24.01 H new ATOM 0 HB3 SER A 37 -16.931 -0.656 -6.953 1.00 24.01 H new ATOM 0 HG SER A 37 -18.924 -1.741 -7.429 1.00 51.14 H new ATOM 563 N THR A 38 -15.556 -4.623 -6.569 1.00 52.01 N ATOM 564 CA THR A 38 -15.673 -6.075 -6.615 1.00 43.04 C ATOM 565 C THR A 38 -17.047 -6.501 -7.121 1.00 4.54 C ATOM 566 O THR A 38 -17.195 -7.561 -7.728 1.00 34.34 O ATOM 567 CB THR A 38 -15.431 -6.703 -5.230 1.00 2.53 C ATOM 568 OG1 THR A 38 -15.840 -8.075 -5.235 1.00 51.30 O ATOM 569 CG2 THR A 38 -16.192 -5.945 -4.152 1.00 71.13 C ATOM 0 H THR A 38 -15.221 -4.255 -5.679 1.00 52.01 H new ATOM 0 HA THR A 38 -14.908 -6.431 -7.305 1.00 43.04 H new ATOM 0 HB THR A 38 -14.365 -6.644 -5.010 1.00 2.53 H new ATOM 0 HG1 THR A 38 -16.139 -8.330 -4.337 1.00 51.30 H new ATOM 0 HG21 THR A 38 -16.006 -6.407 -3.182 1.00 71.13 H new ATOM 0 HG22 THR A 38 -15.857 -4.908 -4.131 1.00 71.13 H new ATOM 0 HG23 THR A 38 -17.260 -5.976 -4.370 1.00 71.13 H new ATOM 577 N LYS A 39 -18.049 -5.667 -6.867 1.00 14.50 N ATOM 578 CA LYS A 39 -19.412 -5.955 -7.298 1.00 13.34 C ATOM 579 C LYS A 39 -19.502 -6.009 -8.819 1.00 71.03 C ATOM 580 O LYS A 39 -20.062 -6.949 -9.383 1.00 44.43 O ATOM 581 CB LYS A 39 -20.375 -4.895 -6.757 1.00 2.12 C ATOM 582 CG LYS A 39 -21.809 -5.083 -7.220 1.00 40.42 C ATOM 583 CD LYS A 39 -22.702 -3.950 -6.742 1.00 33.43 C ATOM 584 CE LYS A 39 -23.861 -3.712 -7.698 1.00 21.40 C ATOM 585 NZ LYS A 39 -24.822 -4.850 -7.699 1.00 21.01 N ATOM 0 H LYS A 39 -17.943 -4.786 -6.365 1.00 14.50 H new ATOM 0 HA LYS A 39 -19.693 -6.930 -6.900 1.00 13.34 H new ATOM 0 HB2 LYS A 39 -20.348 -4.914 -5.667 1.00 2.12 H new ATOM 0 HB3 LYS A 39 -20.028 -3.909 -7.067 1.00 2.12 H new ATOM 0 HG2 LYS A 39 -21.837 -5.135 -8.308 1.00 40.42 H new ATOM 0 HG3 LYS A 39 -22.192 -6.032 -6.845 1.00 40.42 H new ATOM 0 HD2 LYS A 39 -23.089 -4.184 -5.750 1.00 33.43 H new ATOM 0 HD3 LYS A 39 -22.114 -3.037 -6.647 1.00 33.43 H new ATOM 0 HE2 LYS A 39 -24.382 -2.797 -7.416 1.00 21.40 H new ATOM 0 HE3 LYS A 39 -23.475 -3.562 -8.706 1.00 21.40 H new ATOM 0 HZ1 LYS A 39 -25.597 -4.649 -8.363 1.00 21.01 H new ATOM 0 HZ2 LYS A 39 -24.331 -5.719 -7.992 1.00 21.01 H new ATOM 0 HZ3 LYS A 39 -25.210 -4.978 -6.743 1.00 21.01 H new ATOM 599 N GLU A 40 -18.946 -4.996 -9.477 1.00 73.20 N ATOM 600 CA GLU A 40 -18.964 -4.931 -10.934 1.00 12.44 C ATOM 601 C GLU A 40 -17.903 -5.849 -11.533 1.00 32.43 C ATOM 602 O GLU A 40 -18.135 -6.504 -12.550 1.00 41.33 O ATOM 603 CB GLU A 40 -18.734 -3.493 -11.404 1.00 72.04 C ATOM 604 CG GLU A 40 -19.585 -2.469 -10.672 1.00 21.23 C ATOM 605 CD GLU A 40 -21.061 -2.599 -10.995 1.00 2.52 C ATOM 606 OE1 GLU A 40 -21.609 -3.709 -10.834 1.00 0.34 O ATOM 607 OE2 GLU A 40 -21.668 -1.588 -11.409 1.00 25.32 O ATOM 0 H GLU A 40 -18.478 -4.210 -9.025 1.00 73.20 H new ATOM 0 HA GLU A 40 -19.943 -5.266 -11.275 1.00 12.44 H new ATOM 0 HB2 GLU A 40 -17.682 -3.240 -11.271 1.00 72.04 H new ATOM 0 HB3 GLU A 40 -18.944 -3.431 -12.472 1.00 72.04 H new ATOM 0 HG2 GLU A 40 -19.441 -2.583 -9.598 1.00 21.23 H new ATOM 0 HG3 GLU A 40 -19.246 -1.467 -10.934 1.00 21.23 H new ATOM 614 N LEU A 41 -16.739 -5.893 -10.895 1.00 23.00 N ATOM 615 CA LEU A 41 -15.640 -6.731 -11.364 1.00 15.11 C ATOM 616 C LEU A 41 -16.102 -8.171 -11.566 1.00 1.31 C ATOM 617 O LEU A 41 -15.766 -8.807 -12.564 1.00 53.31 O ATOM 618 CB LEU A 41 -14.480 -6.690 -10.368 1.00 34.13 C ATOM 619 CG LEU A 41 -13.267 -7.554 -10.715 1.00 10.53 C ATOM 620 CD1 LEU A 41 -12.937 -7.440 -12.195 1.00 3.02 C ATOM 621 CD2 LEU A 41 -12.068 -7.154 -9.867 1.00 32.13 C ATOM 0 H LEU A 41 -16.531 -5.358 -10.051 1.00 23.00 H new ATOM 0 HA LEU A 41 -15.301 -6.340 -12.323 1.00 15.11 H new ATOM 0 HB2 LEU A 41 -14.148 -5.656 -10.269 1.00 34.13 H new ATOM 0 HB3 LEU A 41 -14.854 -6.999 -9.392 1.00 34.13 H new ATOM 0 HG LEU A 41 -13.511 -8.594 -10.497 1.00 10.53 H new ATOM 0 HD11 LEU A 41 -12.071 -8.061 -12.424 1.00 3.02 H new ATOM 0 HD12 LEU A 41 -13.790 -7.775 -12.785 1.00 3.02 H new ATOM 0 HD13 LEU A 41 -12.713 -6.402 -12.439 1.00 3.02 H new ATOM 0 HD21 LEU A 41 -11.214 -7.779 -10.127 1.00 32.13 H new ATOM 0 HD22 LEU A 41 -11.823 -6.108 -10.054 1.00 32.13 H new ATOM 0 HD23 LEU A 41 -12.308 -7.288 -8.812 1.00 32.13 H new ATOM 633 N GLY A 42 -16.876 -8.678 -10.611 1.00 61.33 N ATOM 634 CA GLY A 42 -17.373 -10.039 -10.704 1.00 41.43 C ATOM 635 C GLY A 42 -18.363 -10.218 -11.838 1.00 65.04 C ATOM 636 O GLY A 42 -18.482 -11.306 -12.403 1.00 2.24 O ATOM 0 H GLY A 42 -17.168 -8.171 -9.775 1.00 61.33 H new ATOM 0 HA2 GLY A 42 -16.534 -10.720 -10.847 1.00 41.43 H new ATOM 0 HA3 GLY A 42 -17.849 -10.314 -9.763 1.00 41.43 H new ATOM 640 N LYS A 43 -19.076 -9.149 -12.173 1.00 55.42 N ATOM 641 CA LYS A 43 -20.062 -9.191 -13.247 1.00 21.40 C ATOM 642 C LYS A 43 -19.380 -9.301 -14.607 1.00 71.01 C ATOM 643 O LYS A 43 -19.676 -10.204 -15.390 1.00 23.11 O ATOM 644 CB LYS A 43 -20.945 -7.942 -13.207 1.00 32.44 C ATOM 645 CG LYS A 43 -22.333 -8.197 -12.645 1.00 54.03 C ATOM 646 CD LYS A 43 -23.318 -7.127 -13.086 1.00 1.42 C ATOM 647 CE LYS A 43 -24.605 -7.186 -12.277 1.00 63.20 C ATOM 648 NZ LYS A 43 -25.562 -6.119 -12.679 1.00 75.22 N ATOM 0 H LYS A 43 -18.990 -8.241 -11.716 1.00 55.42 H new ATOM 0 HA LYS A 43 -20.685 -10.073 -13.100 1.00 21.40 H new ATOM 0 HB2 LYS A 43 -20.453 -7.178 -12.605 1.00 32.44 H new ATOM 0 HB3 LYS A 43 -21.039 -7.541 -14.216 1.00 32.44 H new ATOM 0 HG2 LYS A 43 -22.685 -9.175 -12.973 1.00 54.03 H new ATOM 0 HG3 LYS A 43 -22.287 -8.224 -11.556 1.00 54.03 H new ATOM 0 HD2 LYS A 43 -22.862 -6.143 -12.975 1.00 1.42 H new ATOM 0 HD3 LYS A 43 -23.546 -7.255 -14.144 1.00 1.42 H new ATOM 0 HE2 LYS A 43 -25.073 -8.162 -12.409 1.00 63.20 H new ATOM 0 HE3 LYS A 43 -24.373 -7.085 -11.217 1.00 63.20 H new ATOM 0 HZ1 LYS A 43 -26.426 -6.193 -12.105 1.00 75.22 H new ATOM 0 HZ2 LYS A 43 -25.126 -5.187 -12.529 1.00 75.22 H new ATOM 0 HZ3 LYS A 43 -25.804 -6.230 -13.684 1.00 75.22 H new ATOM 662 N VAL A 44 -18.465 -8.377 -14.882 1.00 12.44 N ATOM 663 CA VAL A 44 -17.739 -8.371 -16.146 1.00 74.22 C ATOM 664 C VAL A 44 -17.129 -9.738 -16.436 1.00 34.14 C ATOM 665 O VAL A 44 -16.976 -10.128 -17.593 1.00 34.24 O ATOM 666 CB VAL A 44 -16.621 -7.312 -16.147 1.00 54.21 C ATOM 667 CG1 VAL A 44 -15.855 -7.345 -17.460 1.00 63.43 C ATOM 668 CG2 VAL A 44 -17.199 -5.928 -15.893 1.00 13.31 C ATOM 0 H VAL A 44 -18.209 -7.622 -14.245 1.00 12.44 H new ATOM 0 HA VAL A 44 -18.462 -8.126 -16.924 1.00 74.22 H new ATOM 0 HB VAL A 44 -15.924 -7.544 -15.342 1.00 54.21 H new ATOM 0 HG11 VAL A 44 -15.069 -6.590 -17.442 1.00 63.43 H new ATOM 0 HG12 VAL A 44 -15.409 -8.330 -17.596 1.00 63.43 H new ATOM 0 HG13 VAL A 44 -16.537 -7.139 -18.285 1.00 63.43 H new ATOM 0 HG21 VAL A 44 -16.395 -5.192 -15.897 1.00 13.31 H new ATOM 0 HG22 VAL A 44 -17.918 -5.685 -16.675 1.00 13.31 H new ATOM 0 HG23 VAL A 44 -17.699 -5.915 -14.924 1.00 13.31 H new ATOM 678 N MET A 45 -16.783 -10.462 -15.376 1.00 13.20 N ATOM 679 CA MET A 45 -16.191 -11.787 -15.517 1.00 33.14 C ATOM 680 C MET A 45 -17.041 -12.668 -16.426 1.00 72.44 C ATOM 681 O MET A 45 -16.517 -13.502 -17.165 1.00 45.22 O ATOM 682 CB MET A 45 -16.037 -12.448 -14.146 1.00 32.34 C ATOM 683 CG MET A 45 -15.075 -11.718 -13.223 1.00 44.24 C ATOM 684 SD MET A 45 -13.452 -12.501 -13.151 1.00 73.51 S ATOM 685 CE MET A 45 -13.156 -12.827 -14.887 1.00 60.23 C ATOM 0 H MET A 45 -16.902 -10.153 -14.411 1.00 13.20 H new ATOM 0 HA MET A 45 -15.206 -11.672 -15.970 1.00 33.14 H new ATOM 0 HB2 MET A 45 -17.015 -12.504 -13.667 1.00 32.34 H new ATOM 0 HB3 MET A 45 -15.690 -13.472 -14.283 1.00 32.34 H new ATOM 0 HG2 MET A 45 -14.963 -10.688 -13.563 1.00 44.24 H new ATOM 0 HG3 MET A 45 -15.500 -11.678 -12.220 1.00 44.24 H new ATOM 0 HE1 MET A 45 -12.118 -13.128 -15.029 1.00 60.23 H new ATOM 0 HE2 MET A 45 -13.815 -13.627 -15.225 1.00 60.23 H new ATOM 0 HE3 MET A 45 -13.354 -11.925 -15.466 1.00 60.23 H new ATOM 695 N ARG A 46 -18.355 -12.479 -16.367 1.00 52.13 N ATOM 696 CA ARG A 46 -19.277 -13.258 -17.185 1.00 11.00 C ATOM 697 C ARG A 46 -18.979 -13.070 -18.670 1.00 23.34 C ATOM 698 O ARG A 46 -19.155 -13.989 -19.469 1.00 60.10 O ATOM 699 CB ARG A 46 -20.722 -12.853 -16.889 1.00 53.41 C ATOM 700 CG ARG A 46 -21.122 -11.525 -17.512 1.00 0.13 C ATOM 701 CD ARG A 46 -22.185 -10.819 -16.684 1.00 71.34 C ATOM 702 NE ARG A 46 -22.123 -9.368 -16.836 1.00 24.14 N ATOM 703 CZ ARG A 46 -23.085 -8.545 -16.435 1.00 74.31 C ATOM 704 NH1 ARG A 46 -24.179 -9.028 -15.862 1.00 21.42 N ATOM 705 NH2 ARG A 46 -22.955 -7.236 -16.607 1.00 73.03 N ATOM 0 H ARG A 46 -18.805 -11.793 -15.761 1.00 52.13 H new ATOM 0 HA ARG A 46 -19.143 -14.311 -16.936 1.00 11.00 H new ATOM 0 HB2 ARG A 46 -21.391 -13.632 -17.254 1.00 53.41 H new ATOM 0 HB3 ARG A 46 -20.860 -12.795 -15.809 1.00 53.41 H new ATOM 0 HG2 ARG A 46 -20.244 -10.885 -17.602 1.00 0.13 H new ATOM 0 HG3 ARG A 46 -21.498 -11.694 -18.521 1.00 0.13 H new ATOM 0 HD2 ARG A 46 -23.172 -11.173 -16.983 1.00 71.34 H new ATOM 0 HD3 ARG A 46 -22.058 -11.079 -15.633 1.00 71.34 H new ATOM 0 HE ARG A 46 -21.295 -8.964 -17.274 1.00 24.14 H new ATOM 0 HH11 ARG A 46 -24.283 -10.034 -15.728 1.00 21.42 H new ATOM 0 HH12 ARG A 46 -24.916 -8.394 -15.555 1.00 21.42 H new ATOM 0 HH21 ARG A 46 -22.115 -6.860 -17.048 1.00 73.03 H new ATOM 0 HH22 ARG A 46 -23.695 -6.605 -16.299 1.00 73.03 H new ATOM 719 N MET A 47 -18.527 -11.874 -19.030 1.00 45.23 N ATOM 720 CA MET A 47 -18.203 -11.566 -20.419 1.00 31.23 C ATOM 721 C MET A 47 -17.004 -12.383 -20.891 1.00 54.43 C ATOM 722 O MET A 47 -16.947 -12.808 -22.046 1.00 24.32 O ATOM 723 CB MET A 47 -17.913 -10.073 -20.578 1.00 43.32 C ATOM 724 CG MET A 47 -19.055 -9.179 -20.122 1.00 61.43 C ATOM 725 SD MET A 47 -20.343 -9.006 -21.372 1.00 64.15 S ATOM 726 CE MET A 47 -19.541 -7.903 -22.534 1.00 22.21 C ATOM 0 H MET A 47 -18.377 -11.102 -18.380 1.00 45.23 H new ATOM 0 HA MET A 47 -19.064 -11.828 -21.034 1.00 31.23 H new ATOM 0 HB2 MET A 47 -17.017 -9.823 -20.009 1.00 43.32 H new ATOM 0 HB3 MET A 47 -17.694 -9.863 -21.625 1.00 43.32 H new ATOM 0 HG2 MET A 47 -19.491 -9.589 -19.211 1.00 61.43 H new ATOM 0 HG3 MET A 47 -18.662 -8.194 -19.872 1.00 61.43 H new ATOM 0 HE1 MET A 47 -20.289 -7.463 -23.193 1.00 22.21 H new ATOM 0 HE2 MET A 47 -19.027 -7.112 -21.989 1.00 22.21 H new ATOM 0 HE3 MET A 47 -18.819 -8.463 -23.128 1.00 22.21 H new ATOM 736 N LEU A 48 -16.049 -12.597 -19.993 1.00 74.32 N ATOM 737 CA LEU A 48 -14.851 -13.363 -20.319 1.00 11.03 C ATOM 738 C LEU A 48 -15.174 -14.847 -20.458 1.00 74.13 C ATOM 739 O LEU A 48 -14.429 -15.599 -21.085 1.00 0.01 O ATOM 740 CB LEU A 48 -13.784 -13.161 -19.241 1.00 55.21 C ATOM 741 CG LEU A 48 -12.879 -11.940 -19.413 1.00 74.52 C ATOM 742 CD1 LEU A 48 -13.711 -10.682 -19.607 1.00 71.11 C ATOM 743 CD2 LEU A 48 -11.953 -11.790 -18.215 1.00 70.42 C ATOM 0 H LEU A 48 -16.081 -12.251 -19.034 1.00 74.32 H new ATOM 0 HA LEU A 48 -14.468 -13.003 -21.274 1.00 11.03 H new ATOM 0 HB2 LEU A 48 -14.282 -13.086 -18.274 1.00 55.21 H new ATOM 0 HB3 LEU A 48 -13.157 -14.052 -19.208 1.00 55.21 H new ATOM 0 HG LEU A 48 -12.268 -12.087 -20.303 1.00 74.52 H new ATOM 0 HD11 LEU A 48 -13.050 -9.824 -19.728 1.00 71.11 H new ATOM 0 HD12 LEU A 48 -14.332 -10.790 -20.496 1.00 71.11 H new ATOM 0 HD13 LEU A 48 -14.348 -10.529 -18.736 1.00 71.11 H new ATOM 0 HD21 LEU A 48 -11.316 -10.916 -18.354 1.00 70.42 H new ATOM 0 HD22 LEU A 48 -12.547 -11.666 -17.309 1.00 70.42 H new ATOM 0 HD23 LEU A 48 -11.332 -12.681 -18.122 1.00 70.42 H new ATOM 755 N GLY A 49 -16.293 -15.262 -19.871 1.00 50.22 N ATOM 756 CA GLY A 49 -16.697 -16.654 -19.943 1.00 44.14 C ATOM 757 C GLY A 49 -16.670 -17.336 -18.590 1.00 62.32 C ATOM 758 O GLY A 49 -17.101 -18.481 -18.457 1.00 64.45 O ATOM 0 H GLY A 49 -16.927 -14.659 -19.347 1.00 50.22 H new ATOM 0 HA2 GLY A 49 -17.703 -16.716 -20.358 1.00 44.14 H new ATOM 0 HA3 GLY A 49 -16.037 -17.186 -20.628 1.00 44.14 H new ATOM 762 N GLN A 50 -16.161 -16.632 -17.584 1.00 71.31 N ATOM 763 CA GLN A 50 -16.078 -17.179 -16.235 1.00 21.00 C ATOM 764 C GLN A 50 -17.049 -16.467 -15.298 1.00 63.44 C ATOM 765 O GLN A 50 -17.375 -15.298 -15.499 1.00 31.42 O ATOM 766 CB GLN A 50 -14.651 -17.056 -15.699 1.00 45.41 C ATOM 767 CG GLN A 50 -13.832 -18.327 -15.851 1.00 24.32 C ATOM 768 CD GLN A 50 -12.758 -18.460 -14.789 1.00 21.21 C ATOM 769 OE1 GLN A 50 -12.951 -19.133 -13.776 1.00 4.24 O ATOM 770 NE2 GLN A 50 -11.618 -17.818 -15.016 1.00 21.14 N ATOM 0 H GLN A 50 -15.800 -15.683 -17.678 1.00 71.31 H new ATOM 0 HA GLN A 50 -16.352 -18.233 -16.280 1.00 21.00 H new ATOM 0 HB2 GLN A 50 -14.145 -16.243 -16.220 1.00 45.41 H new ATOM 0 HB3 GLN A 50 -14.690 -16.783 -14.644 1.00 45.41 H new ATOM 0 HG2 GLN A 50 -14.496 -19.190 -15.801 1.00 24.32 H new ATOM 0 HG3 GLN A 50 -13.367 -18.339 -16.837 1.00 24.32 H new ATOM 0 HE21 GLN A 50 -11.502 -17.272 -15.869 1.00 21.14 H new ATOM 0 HE22 GLN A 50 -10.859 -17.871 -14.337 1.00 21.14 H new ATOM 779 N ASN A 51 -17.507 -17.181 -14.275 1.00 62.42 N ATOM 780 CA ASN A 51 -18.441 -16.618 -13.308 1.00 14.13 C ATOM 781 C ASN A 51 -18.083 -17.051 -11.889 1.00 72.14 C ATOM 782 O ASN A 51 -18.815 -17.796 -11.238 1.00 14.04 O ATOM 783 CB ASN A 51 -19.872 -17.049 -13.639 1.00 2.34 C ATOM 784 CG ASN A 51 -19.976 -18.534 -13.928 1.00 11.31 C ATOM 785 OD1 ASN A 51 -20.125 -19.346 -13.015 1.00 60.21 O ATOM 786 ND2 ASN A 51 -19.898 -18.895 -15.203 1.00 40.34 N ATOM 0 H ASN A 51 -17.246 -18.150 -14.095 1.00 62.42 H new ATOM 0 HA ASN A 51 -18.373 -15.532 -13.365 1.00 14.13 H new ATOM 0 HB2 ASN A 51 -20.527 -16.797 -12.805 1.00 2.34 H new ATOM 0 HB3 ASN A 51 -20.227 -16.488 -14.503 1.00 2.34 H new ATOM 0 HD21 ASN A 51 -19.962 -19.880 -15.459 1.00 40.34 H new ATOM 0 HD22 ASN A 51 -19.774 -18.187 -15.927 1.00 40.34 H new ATOM 793 N PRO A 52 -16.930 -16.574 -11.398 1.00 41.25 N ATOM 794 CA PRO A 52 -16.448 -16.897 -10.052 1.00 74.32 C ATOM 795 C PRO A 52 -17.295 -16.248 -8.962 1.00 45.04 C ATOM 796 O PRO A 52 -18.317 -15.623 -9.245 1.00 12.40 O ATOM 797 CB PRO A 52 -15.028 -16.327 -10.037 1.00 62.40 C ATOM 798 CG PRO A 52 -15.046 -15.237 -11.052 1.00 13.23 C ATOM 799 CD PRO A 52 -16.007 -15.681 -12.120 1.00 32.14 C ATOM 0 HA PRO A 52 -16.494 -17.967 -9.848 1.00 74.32 H new ATOM 0 HB2 PRO A 52 -14.765 -15.945 -9.051 1.00 62.40 H new ATOM 0 HB3 PRO A 52 -14.292 -17.091 -10.289 1.00 62.40 H new ATOM 0 HG2 PRO A 52 -15.365 -14.295 -10.607 1.00 13.23 H new ATOM 0 HG3 PRO A 52 -14.051 -15.073 -11.466 1.00 13.23 H new ATOM 0 HD2 PRO A 52 -16.532 -14.836 -12.565 1.00 32.14 H new ATOM 0 HD3 PRO A 52 -15.496 -16.201 -12.930 1.00 32.14 H new ATOM 807 N THR A 53 -16.862 -16.400 -7.714 1.00 40.54 N ATOM 808 CA THR A 53 -17.580 -15.829 -6.582 1.00 0.40 C ATOM 809 C THR A 53 -17.084 -14.421 -6.269 1.00 61.53 C ATOM 810 O THR A 53 -15.896 -14.117 -6.380 1.00 31.11 O ATOM 811 CB THR A 53 -17.432 -16.704 -5.323 1.00 61.35 C ATOM 812 OG1 THR A 53 -18.368 -16.288 -4.324 1.00 13.54 O ATOM 813 CG2 THR A 53 -16.018 -16.619 -4.768 1.00 71.33 C ATOM 0 H THR A 53 -16.018 -16.914 -7.462 1.00 40.54 H new ATOM 0 HA THR A 53 -18.632 -15.787 -6.865 1.00 0.40 H new ATOM 0 HB THR A 53 -17.635 -17.738 -5.601 1.00 61.35 H new ATOM 0 HG1 THR A 53 -18.268 -16.851 -3.528 1.00 13.54 H new ATOM 0 HG21 THR A 53 -15.938 -17.245 -3.879 1.00 71.33 H new ATOM 0 HG22 THR A 53 -15.310 -16.965 -5.521 1.00 71.33 H new ATOM 0 HG23 THR A 53 -15.792 -15.586 -4.505 1.00 71.33 H new ATOM 821 N PRO A 54 -18.013 -13.541 -5.868 1.00 70.14 N ATOM 822 CA PRO A 54 -17.693 -12.151 -5.530 1.00 63.11 C ATOM 823 C PRO A 54 -16.889 -12.039 -4.239 1.00 62.23 C ATOM 824 O PRO A 54 -16.017 -11.180 -4.113 1.00 51.15 O ATOM 825 CB PRO A 54 -19.068 -11.501 -5.361 1.00 73.15 C ATOM 826 CG PRO A 54 -19.976 -12.624 -4.995 1.00 23.42 C ATOM 827 CD PRO A 54 -19.448 -13.835 -5.714 1.00 3.20 C ATOM 0 HA PRO A 54 -17.074 -11.679 -6.293 1.00 63.11 H new ATOM 0 HB2 PRO A 54 -19.052 -10.736 -4.585 1.00 73.15 H new ATOM 0 HB3 PRO A 54 -19.391 -11.014 -6.281 1.00 73.15 H new ATOM 0 HG2 PRO A 54 -19.985 -12.783 -3.917 1.00 23.42 H new ATOM 0 HG3 PRO A 54 -21.002 -12.409 -5.294 1.00 23.42 H new ATOM 0 HD2 PRO A 54 -19.612 -14.747 -5.140 1.00 3.20 H new ATOM 0 HD3 PRO A 54 -19.936 -13.974 -6.679 1.00 3.20 H new ATOM 835 N GLU A 55 -17.188 -12.913 -3.283 1.00 61.34 N ATOM 836 CA GLU A 55 -16.492 -12.911 -2.002 1.00 41.10 C ATOM 837 C GLU A 55 -14.986 -13.062 -2.200 1.00 74.42 C ATOM 838 O GLU A 55 -14.192 -12.476 -1.466 1.00 61.11 O ATOM 839 CB GLU A 55 -17.016 -14.038 -1.110 1.00 22.22 C ATOM 840 CG GLU A 55 -18.462 -13.854 -0.683 1.00 13.03 C ATOM 841 CD GLU A 55 -18.799 -14.618 0.583 1.00 5.35 C ATOM 842 OE1 GLU A 55 -18.020 -14.525 1.556 1.00 51.02 O ATOM 843 OE2 GLU A 55 -19.839 -15.308 0.602 1.00 1.22 O ATOM 0 H GLU A 55 -17.907 -13.631 -3.371 1.00 61.34 H new ATOM 0 HA GLU A 55 -16.683 -11.954 -1.516 1.00 41.10 H new ATOM 0 HB2 GLU A 55 -16.921 -14.985 -1.642 1.00 22.22 H new ATOM 0 HB3 GLU A 55 -16.389 -14.107 -0.221 1.00 22.22 H new ATOM 0 HG2 GLU A 55 -18.658 -12.793 -0.526 1.00 13.03 H new ATOM 0 HG3 GLU A 55 -19.119 -14.184 -1.488 1.00 13.03 H new ATOM 850 N GLU A 56 -14.603 -13.854 -3.197 1.00 54.45 N ATOM 851 CA GLU A 56 -13.194 -14.083 -3.491 1.00 63.31 C ATOM 852 C GLU A 56 -12.536 -12.815 -4.027 1.00 41.04 C ATOM 853 O GLU A 56 -11.432 -12.454 -3.618 1.00 2.20 O ATOM 854 CB GLU A 56 -13.039 -15.219 -4.505 1.00 55.31 C ATOM 855 CG GLU A 56 -11.594 -15.607 -4.769 1.00 53.23 C ATOM 856 CD GLU A 56 -11.044 -16.555 -3.722 1.00 1.35 C ATOM 857 OE1 GLU A 56 -11.530 -16.516 -2.572 1.00 22.11 O ATOM 858 OE2 GLU A 56 -10.127 -17.336 -4.052 1.00 41.50 O ATOM 0 H GLU A 56 -15.249 -14.347 -3.814 1.00 54.45 H new ATOM 0 HA GLU A 56 -12.697 -14.364 -2.562 1.00 63.31 H new ATOM 0 HB2 GLU A 56 -13.581 -16.093 -4.144 1.00 55.31 H new ATOM 0 HB3 GLU A 56 -13.504 -14.922 -5.445 1.00 55.31 H new ATOM 0 HG2 GLU A 56 -11.521 -16.074 -5.751 1.00 53.23 H new ATOM 0 HG3 GLU A 56 -10.980 -14.707 -4.798 1.00 53.23 H new ATOM 865 N LEU A 57 -13.221 -12.143 -4.946 1.00 34.41 N ATOM 866 CA LEU A 57 -12.705 -10.915 -5.540 1.00 22.12 C ATOM 867 C LEU A 57 -12.374 -9.887 -4.463 1.00 5.01 C ATOM 868 O LEU A 57 -11.248 -9.394 -4.388 1.00 33.32 O ATOM 869 CB LEU A 57 -13.723 -10.332 -6.521 1.00 71.43 C ATOM 870 CG LEU A 57 -14.258 -11.294 -7.583 1.00 42.34 C ATOM 871 CD1 LEU A 57 -15.553 -10.764 -8.179 1.00 32.41 C ATOM 872 CD2 LEU A 57 -13.219 -11.516 -8.673 1.00 52.43 C ATOM 0 H LEU A 57 -14.136 -12.428 -5.296 1.00 34.41 H new ATOM 0 HA LEU A 57 -11.789 -11.158 -6.079 1.00 22.12 H new ATOM 0 HB2 LEU A 57 -14.568 -9.946 -5.950 1.00 71.43 H new ATOM 0 HB3 LEU A 57 -13.265 -9.482 -7.027 1.00 71.43 H new ATOM 0 HG LEU A 57 -14.466 -12.252 -7.107 1.00 42.34 H new ATOM 0 HD11 LEU A 57 -15.919 -11.461 -8.933 1.00 32.41 H new ATOM 0 HD12 LEU A 57 -16.299 -10.657 -7.391 1.00 32.41 H new ATOM 0 HD13 LEU A 57 -15.371 -9.794 -8.641 1.00 32.41 H new ATOM 0 HD21 LEU A 57 -13.617 -12.203 -9.420 1.00 52.43 H new ATOM 0 HD22 LEU A 57 -12.979 -10.564 -9.147 1.00 52.43 H new ATOM 0 HD23 LEU A 57 -12.316 -11.940 -8.234 1.00 52.43 H new ATOM 884 N GLN A 58 -13.360 -9.570 -3.631 1.00 34.21 N ATOM 885 CA GLN A 58 -13.172 -8.602 -2.557 1.00 54.10 C ATOM 886 C GLN A 58 -12.049 -9.037 -1.622 1.00 63.11 C ATOM 887 O GLN A 58 -11.425 -8.209 -0.959 1.00 50.04 O ATOM 888 CB GLN A 58 -14.470 -8.427 -1.767 1.00 13.42 C ATOM 889 CG GLN A 58 -14.285 -7.697 -0.446 1.00 42.54 C ATOM 890 CD GLN A 58 -15.454 -6.792 -0.111 1.00 2.35 C ATOM 891 OE1 GLN A 58 -16.483 -7.247 0.390 1.00 63.33 O ATOM 892 NE2 GLN A 58 -15.302 -5.501 -0.384 1.00 63.32 N ATOM 0 H GLN A 58 -14.297 -9.969 -3.680 1.00 34.21 H new ATOM 0 HA GLN A 58 -12.897 -7.648 -3.006 1.00 54.10 H new ATOM 0 HB2 GLN A 58 -15.186 -7.878 -2.378 1.00 13.42 H new ATOM 0 HB3 GLN A 58 -14.902 -9.409 -1.573 1.00 13.42 H new ATOM 0 HG2 GLN A 58 -14.155 -8.427 0.353 1.00 42.54 H new ATOM 0 HG3 GLN A 58 -13.371 -7.104 -0.488 1.00 42.54 H new ATOM 0 HE21 GLN A 58 -14.432 -5.166 -0.799 1.00 63.32 H new ATOM 0 HE22 GLN A 58 -16.055 -4.844 -0.178 1.00 63.32 H new ATOM 901 N GLU A 59 -11.797 -10.342 -1.574 1.00 51.44 N ATOM 902 CA GLU A 59 -10.749 -10.886 -0.719 1.00 41.21 C ATOM 903 C GLU A 59 -9.385 -10.319 -1.102 1.00 61.15 C ATOM 904 O GLU A 59 -8.670 -9.772 -0.263 1.00 73.11 O ATOM 905 CB GLU A 59 -10.724 -12.413 -0.814 1.00 41.21 C ATOM 906 CG GLU A 59 -10.202 -13.092 0.441 1.00 71.22 C ATOM 907 CD GLU A 59 -10.396 -14.596 0.414 1.00 41.13 C ATOM 908 OE1 GLU A 59 -11.557 -15.043 0.304 1.00 25.22 O ATOM 909 OE2 GLU A 59 -9.386 -15.325 0.502 1.00 61.23 O ATOM 0 H GLU A 59 -12.304 -11.041 -2.117 1.00 51.44 H new ATOM 0 HA GLU A 59 -10.968 -10.597 0.309 1.00 41.21 H new ATOM 0 HB2 GLU A 59 -11.732 -12.772 -1.019 1.00 41.21 H new ATOM 0 HB3 GLU A 59 -10.103 -12.706 -1.661 1.00 41.21 H new ATOM 0 HG2 GLU A 59 -9.141 -12.868 0.556 1.00 71.22 H new ATOM 0 HG3 GLU A 59 -10.711 -12.679 1.312 1.00 71.22 H new ATOM 916 N MET A 60 -9.031 -10.455 -2.376 1.00 51.13 N ATOM 917 CA MET A 60 -7.753 -9.956 -2.871 1.00 73.15 C ATOM 918 C MET A 60 -7.730 -8.431 -2.875 1.00 3.11 C ATOM 919 O MET A 60 -6.719 -7.816 -2.534 1.00 21.04 O ATOM 920 CB MET A 60 -7.487 -10.485 -4.282 1.00 71.11 C ATOM 921 CG MET A 60 -6.016 -10.736 -4.569 1.00 44.34 C ATOM 922 SD MET A 60 -5.758 -12.034 -5.794 1.00 54.10 S ATOM 923 CE MET A 60 -6.444 -11.260 -7.257 1.00 35.54 C ATOM 0 H MET A 60 -9.611 -10.906 -3.084 1.00 51.13 H new ATOM 0 HA MET A 60 -6.969 -10.312 -2.203 1.00 73.15 H new ATOM 0 HB2 MET A 60 -8.040 -11.414 -4.423 1.00 71.11 H new ATOM 0 HB3 MET A 60 -7.874 -9.770 -5.008 1.00 71.11 H new ATOM 0 HG2 MET A 60 -5.556 -9.813 -4.921 1.00 44.34 H new ATOM 0 HG3 MET A 60 -5.511 -11.010 -3.643 1.00 44.34 H new ATOM 0 HE1 MET A 60 -6.342 -11.934 -8.107 1.00 35.54 H new ATOM 0 HE2 MET A 60 -7.499 -11.041 -7.092 1.00 35.54 H new ATOM 0 HE3 MET A 60 -5.909 -10.333 -7.463 1.00 35.54 H new ATOM 933 N ILE A 61 -8.848 -7.827 -3.263 1.00 30.24 N ATOM 934 CA ILE A 61 -8.954 -6.374 -3.309 1.00 74.23 C ATOM 935 C ILE A 61 -8.639 -5.756 -1.951 1.00 55.04 C ATOM 936 O ILE A 61 -8.233 -4.597 -1.865 1.00 30.13 O ATOM 937 CB ILE A 61 -10.360 -5.927 -3.751 1.00 14.41 C ATOM 938 CG1 ILE A 61 -10.617 -6.336 -5.203 1.00 10.32 C ATOM 939 CG2 ILE A 61 -10.514 -4.422 -3.584 1.00 32.34 C ATOM 940 CD1 ILE A 61 -11.982 -5.929 -5.713 1.00 21.22 C ATOM 0 H ILE A 61 -9.693 -8.321 -3.550 1.00 30.24 H new ATOM 0 HA ILE A 61 -8.224 -6.027 -4.040 1.00 74.23 H new ATOM 0 HB ILE A 61 -11.097 -6.421 -3.118 1.00 14.41 H new ATOM 0 HG12 ILE A 61 -9.853 -5.889 -5.839 1.00 10.32 H new ATOM 0 HG13 ILE A 61 -10.513 -7.417 -5.291 1.00 10.32 H new ATOM 0 HG21 ILE A 61 -11.513 -4.121 -3.900 1.00 32.34 H new ATOM 0 HG22 ILE A 61 -10.369 -4.155 -2.537 1.00 32.34 H new ATOM 0 HG23 ILE A 61 -9.770 -3.910 -4.195 1.00 32.34 H new ATOM 0 HD11 ILE A 61 -12.095 -6.251 -6.748 1.00 21.22 H new ATOM 0 HD12 ILE A 61 -12.753 -6.397 -5.101 1.00 21.22 H new ATOM 0 HD13 ILE A 61 -12.083 -4.845 -5.657 1.00 21.22 H new ATOM 952 N ASP A 62 -8.828 -6.537 -0.894 1.00 32.42 N ATOM 953 CA ASP A 62 -8.561 -6.068 0.461 1.00 73.11 C ATOM 954 C ASP A 62 -7.071 -5.812 0.664 1.00 72.53 C ATOM 955 O ASP A 62 -6.668 -4.718 1.057 1.00 61.50 O ATOM 956 CB ASP A 62 -9.060 -7.089 1.485 1.00 73.04 C ATOM 957 CG ASP A 62 -8.955 -6.580 2.909 1.00 43.13 C ATOM 958 OD1 ASP A 62 -9.239 -5.385 3.134 1.00 74.21 O ATOM 959 OD2 ASP A 62 -8.587 -7.376 3.798 1.00 4.01 O ATOM 0 H ASP A 62 -9.165 -7.498 -0.949 1.00 32.42 H new ATOM 0 HA ASP A 62 -9.096 -5.129 0.606 1.00 73.11 H new ATOM 0 HB2 ASP A 62 -10.098 -7.340 1.268 1.00 73.04 H new ATOM 0 HB3 ASP A 62 -8.483 -8.009 1.388 1.00 73.04 H new ATOM 964 N GLU A 63 -6.259 -6.830 0.394 1.00 51.34 N ATOM 965 CA GLU A 63 -4.814 -6.715 0.549 1.00 42.42 C ATOM 966 C GLU A 63 -4.220 -5.816 -0.533 1.00 33.52 C ATOM 967 O GLU A 63 -3.123 -5.281 -0.378 1.00 3.14 O ATOM 968 CB GLU A 63 -4.161 -8.097 0.494 1.00 61.31 C ATOM 969 CG GLU A 63 -3.498 -8.510 1.798 1.00 52.34 C ATOM 970 CD GLU A 63 -2.385 -9.519 1.593 1.00 51.35 C ATOM 971 OE1 GLU A 63 -1.350 -9.147 1.002 1.00 45.24 O ATOM 972 OE2 GLU A 63 -2.549 -10.680 2.022 1.00 11.53 O ATOM 0 H GLU A 63 -6.577 -7.742 0.067 1.00 51.34 H new ATOM 0 HA GLU A 63 -4.614 -6.265 1.521 1.00 42.42 H new ATOM 0 HB2 GLU A 63 -4.917 -8.837 0.231 1.00 61.31 H new ATOM 0 HB3 GLU A 63 -3.416 -8.106 -0.301 1.00 61.31 H new ATOM 0 HG2 GLU A 63 -3.095 -7.626 2.292 1.00 52.34 H new ATOM 0 HG3 GLU A 63 -4.249 -8.934 2.465 1.00 52.34 H new ATOM 979 N VAL A 64 -4.954 -5.657 -1.630 1.00 11.03 N ATOM 980 CA VAL A 64 -4.502 -4.824 -2.738 1.00 21.04 C ATOM 981 C VAL A 64 -4.774 -3.349 -2.463 1.00 62.32 C ATOM 982 O VAL A 64 -3.900 -2.502 -2.647 1.00 52.42 O ATOM 983 CB VAL A 64 -5.188 -5.224 -4.057 1.00 61.42 C ATOM 984 CG1 VAL A 64 -4.786 -4.277 -5.177 1.00 42.12 C ATOM 985 CG2 VAL A 64 -4.850 -6.663 -4.418 1.00 30.12 C ATOM 0 H VAL A 64 -5.864 -6.094 -1.775 1.00 11.03 H new ATOM 0 HA VAL A 64 -3.428 -4.981 -2.834 1.00 21.04 H new ATOM 0 HB VAL A 64 -6.267 -5.151 -3.922 1.00 61.42 H new ATOM 0 HG11 VAL A 64 -5.281 -4.576 -6.101 1.00 42.12 H new ATOM 0 HG12 VAL A 64 -5.083 -3.261 -4.918 1.00 42.12 H new ATOM 0 HG13 VAL A 64 -3.705 -4.315 -5.315 1.00 42.12 H new ATOM 0 HG21 VAL A 64 -5.343 -6.929 -5.353 1.00 30.12 H new ATOM 0 HG22 VAL A 64 -3.771 -6.765 -4.535 1.00 30.12 H new ATOM 0 HG23 VAL A 64 -5.193 -7.327 -3.625 1.00 30.12 H new ATOM 995 N ASP A 65 -5.990 -3.050 -2.022 1.00 34.14 N ATOM 996 CA ASP A 65 -6.378 -1.677 -1.720 1.00 31.13 C ATOM 997 C ASP A 65 -5.551 -1.120 -0.565 1.00 33.42 C ATOM 998 O ASP A 65 -5.786 -1.455 0.596 1.00 41.31 O ATOM 999 CB ASP A 65 -7.867 -1.609 -1.377 1.00 10.43 C ATOM 1000 CG ASP A 65 -8.422 -0.202 -1.485 1.00 40.10 C ATOM 1001 OD1 ASP A 65 -7.633 0.759 -1.365 1.00 24.45 O ATOM 1002 OD2 ASP A 65 -9.645 -0.061 -1.691 1.00 74.51 O ATOM 0 H ASP A 65 -6.725 -3.740 -1.865 1.00 34.14 H new ATOM 0 HA ASP A 65 -6.189 -1.069 -2.605 1.00 31.13 H new ATOM 0 HB2 ASP A 65 -8.421 -2.268 -2.046 1.00 10.43 H new ATOM 0 HB3 ASP A 65 -8.021 -1.980 -0.364 1.00 10.43 H new ATOM 1007 N GLU A 66 -4.583 -0.271 -0.893 1.00 2.25 N ATOM 1008 CA GLU A 66 -3.720 0.330 0.118 1.00 13.01 C ATOM 1009 C GLU A 66 -4.531 1.191 1.083 1.00 64.11 C ATOM 1010 O GLU A 66 -4.194 1.306 2.262 1.00 71.05 O ATOM 1011 CB GLU A 66 -2.632 1.176 -0.546 1.00 24.41 C ATOM 1012 CG GLU A 66 -3.176 2.251 -1.471 1.00 2.43 C ATOM 1013 CD GLU A 66 -3.515 3.534 -0.737 1.00 50.41 C ATOM 1014 OE1 GLU A 66 -3.231 3.616 0.476 1.00 4.23 O ATOM 1015 OE2 GLU A 66 -4.065 4.456 -1.375 1.00 42.05 O ATOM 0 H GLU A 66 -4.376 0.016 -1.850 1.00 2.25 H new ATOM 0 HA GLU A 66 -3.250 -0.475 0.683 1.00 13.01 H new ATOM 0 HB2 GLU A 66 -2.027 1.647 0.229 1.00 24.41 H new ATOM 0 HB3 GLU A 66 -1.970 0.521 -1.113 1.00 24.41 H new ATOM 0 HG2 GLU A 66 -2.441 2.464 -2.247 1.00 2.43 H new ATOM 0 HG3 GLU A 66 -4.069 1.877 -1.972 1.00 2.43 H new ATOM 1022 N ASP A 67 -5.599 1.794 0.574 1.00 72.24 N ATOM 1023 CA ASP A 67 -6.459 2.644 1.389 1.00 3.00 C ATOM 1024 C ASP A 67 -7.667 1.865 1.899 1.00 12.21 C ATOM 1025 O ASP A 67 -8.436 2.361 2.722 1.00 42.02 O ATOM 1026 CB ASP A 67 -6.922 3.859 0.584 1.00 71.02 C ATOM 1027 CG ASP A 67 -7.356 3.491 -0.821 1.00 61.05 C ATOM 1028 OD1 ASP A 67 -8.550 3.177 -1.011 1.00 62.12 O ATOM 1029 OD2 ASP A 67 -6.502 3.518 -1.732 1.00 24.13 O ATOM 0 H ASP A 67 -5.890 1.710 -0.400 1.00 72.24 H new ATOM 0 HA ASP A 67 -5.881 2.986 2.248 1.00 3.00 H new ATOM 0 HB2 ASP A 67 -7.751 4.341 1.103 1.00 71.02 H new ATOM 0 HB3 ASP A 67 -6.112 4.587 0.532 1.00 71.02 H new ATOM 1034 N GLY A 68 -7.829 0.642 1.403 1.00 10.04 N ATOM 1035 CA GLY A 68 -8.947 -0.185 1.820 1.00 65.15 C ATOM 1036 C GLY A 68 -10.278 0.524 1.674 1.00 74.10 C ATOM 1037 O GLY A 68 -11.151 0.404 2.534 1.00 24.43 O ATOM 0 H GLY A 68 -7.207 0.209 0.720 1.00 10.04 H new ATOM 0 HA2 GLY A 68 -8.959 -1.100 1.227 1.00 65.15 H new ATOM 0 HA3 GLY A 68 -8.808 -0.481 2.860 1.00 65.15 H new ATOM 1041 N SER A 69 -10.436 1.267 0.583 1.00 64.41 N ATOM 1042 CA SER A 69 -11.669 2.002 0.330 1.00 1.43 C ATOM 1043 C SER A 69 -12.773 1.065 -0.149 1.00 64.43 C ATOM 1044 O SER A 69 -13.958 1.379 -0.047 1.00 64.23 O ATOM 1045 CB SER A 69 -11.429 3.100 -0.709 1.00 33.35 C ATOM 1046 OG SER A 69 -10.907 2.559 -1.910 1.00 11.41 O ATOM 0 H SER A 69 -9.725 1.376 -0.140 1.00 64.41 H new ATOM 0 HA SER A 69 -11.988 2.460 1.266 1.00 1.43 H new ATOM 0 HB2 SER A 69 -12.364 3.619 -0.917 1.00 33.35 H new ATOM 0 HB3 SER A 69 -10.736 3.840 -0.308 1.00 33.35 H new ATOM 0 HG SER A 69 -9.948 2.751 -1.965 1.00 11.41 H new ATOM 1052 N GLY A 70 -12.373 -0.090 -0.674 1.00 31.35 N ATOM 1053 CA GLY A 70 -13.339 -1.057 -1.162 1.00 31.14 C ATOM 1054 C GLY A 70 -13.427 -1.076 -2.675 1.00 10.43 C ATOM 1055 O GLY A 70 -14.404 -1.566 -3.242 1.00 40.11 O ATOM 0 H GLY A 70 -11.398 -0.373 -0.770 1.00 31.35 H new ATOM 0 HA2 GLY A 70 -13.067 -2.050 -0.805 1.00 31.14 H new ATOM 0 HA3 GLY A 70 -14.320 -0.827 -0.747 1.00 31.14 H new ATOM 1059 N THR A 71 -12.404 -0.538 -3.332 1.00 60.42 N ATOM 1060 CA THR A 71 -12.371 -0.492 -4.788 1.00 62.45 C ATOM 1061 C THR A 71 -10.937 -0.484 -5.306 1.00 21.12 C ATOM 1062 O THR A 71 -10.012 -0.090 -4.595 1.00 71.21 O ATOM 1063 CB THR A 71 -13.106 0.749 -5.328 1.00 74.32 C ATOM 1064 OG1 THR A 71 -13.158 1.764 -4.320 1.00 53.42 O ATOM 1065 CG2 THR A 71 -14.518 0.392 -5.769 1.00 60.00 C ATOM 0 H THR A 71 -11.588 -0.128 -2.878 1.00 60.42 H new ATOM 0 HA THR A 71 -12.878 -1.389 -5.143 1.00 62.45 H new ATOM 0 HB THR A 71 -12.556 1.123 -6.192 1.00 74.32 H new ATOM 0 HG1 THR A 71 -13.625 2.550 -4.671 1.00 53.42 H new ATOM 0 HG21 THR A 71 -15.018 1.284 -6.147 1.00 60.00 H new ATOM 0 HG22 THR A 71 -14.474 -0.360 -6.557 1.00 60.00 H new ATOM 0 HG23 THR A 71 -15.075 -0.004 -4.920 1.00 60.00 H new ATOM 1073 N VAL A 72 -10.758 -0.921 -6.549 1.00 15.14 N ATOM 1074 CA VAL A 72 -9.436 -0.962 -7.162 1.00 75.00 C ATOM 1075 C VAL A 72 -9.213 0.244 -8.067 1.00 60.15 C ATOM 1076 O VAL A 72 -10.007 0.512 -8.969 1.00 72.22 O ATOM 1077 CB VAL A 72 -9.239 -2.250 -7.983 1.00 25.21 C ATOM 1078 CG1 VAL A 72 -8.201 -2.034 -9.074 1.00 24.33 C ATOM 1079 CG2 VAL A 72 -8.838 -3.404 -7.075 1.00 51.54 C ATOM 0 H VAL A 72 -11.512 -1.252 -7.151 1.00 15.14 H new ATOM 0 HA VAL A 72 -8.709 -0.942 -6.350 1.00 75.00 H new ATOM 0 HB VAL A 72 -10.185 -2.505 -8.460 1.00 25.21 H new ATOM 0 HG11 VAL A 72 -8.075 -2.955 -9.644 1.00 24.33 H new ATOM 0 HG12 VAL A 72 -8.533 -1.238 -9.740 1.00 24.33 H new ATOM 0 HG13 VAL A 72 -7.250 -1.755 -8.621 1.00 24.33 H new ATOM 0 HG21 VAL A 72 -8.703 -4.306 -7.671 1.00 51.54 H new ATOM 0 HG22 VAL A 72 -7.904 -3.161 -6.568 1.00 51.54 H new ATOM 0 HG23 VAL A 72 -9.619 -3.572 -6.334 1.00 51.54 H new ATOM 1089 N ASP A 73 -8.127 0.968 -7.822 1.00 23.04 N ATOM 1090 CA ASP A 73 -7.797 2.146 -8.616 1.00 22.31 C ATOM 1091 C ASP A 73 -6.777 1.803 -9.697 1.00 43.43 C ATOM 1092 O ASP A 73 -6.482 0.633 -9.939 1.00 25.22 O ATOM 1093 CB ASP A 73 -7.253 3.257 -7.717 1.00 45.23 C ATOM 1094 CG ASP A 73 -8.154 3.536 -6.531 1.00 13.30 C ATOM 1095 OD1 ASP A 73 -9.390 3.463 -6.695 1.00 34.34 O ATOM 1096 OD2 ASP A 73 -7.624 3.828 -5.439 1.00 30.42 O ATOM 0 H ASP A 73 -7.459 0.760 -7.079 1.00 23.04 H new ATOM 0 HA ASP A 73 -8.709 2.496 -9.100 1.00 22.31 H new ATOM 0 HB2 ASP A 73 -6.262 2.978 -7.359 1.00 45.23 H new ATOM 0 HB3 ASP A 73 -7.135 4.169 -8.302 1.00 45.23 H new ATOM 1101 N PHE A 74 -6.242 2.833 -10.346 1.00 71.42 N ATOM 1102 CA PHE A 74 -5.256 2.641 -11.404 1.00 34.04 C ATOM 1103 C PHE A 74 -3.929 2.157 -10.828 1.00 44.12 C ATOM 1104 O PHE A 74 -3.239 1.337 -11.434 1.00 73.43 O ATOM 1105 CB PHE A 74 -5.046 3.945 -12.176 1.00 25.02 C ATOM 1106 CG PHE A 74 -3.918 3.880 -13.166 1.00 21.32 C ATOM 1107 CD1 PHE A 74 -3.699 2.733 -13.912 1.00 23.24 C ATOM 1108 CD2 PHE A 74 -3.077 4.965 -13.350 1.00 42.33 C ATOM 1109 CE1 PHE A 74 -2.662 2.670 -14.824 1.00 31.42 C ATOM 1110 CE2 PHE A 74 -2.039 4.908 -14.261 1.00 50.12 C ATOM 1111 CZ PHE A 74 -1.831 3.758 -14.998 1.00 4.50 C ATOM 0 H PHE A 74 -6.475 3.808 -10.158 1.00 71.42 H new ATOM 0 HA PHE A 74 -5.634 1.880 -12.087 1.00 34.04 H new ATOM 0 HB2 PHE A 74 -5.966 4.199 -12.702 1.00 25.02 H new ATOM 0 HB3 PHE A 74 -4.851 4.750 -11.468 1.00 25.02 H new ATOM 0 HD1 PHE A 74 -4.346 1.878 -13.779 1.00 23.24 H new ATOM 0 HD2 PHE A 74 -3.234 5.866 -12.775 1.00 42.33 H new ATOM 0 HE1 PHE A 74 -2.502 1.770 -15.400 1.00 31.42 H new ATOM 0 HE2 PHE A 74 -1.391 5.761 -14.397 1.00 50.12 H new ATOM 0 HZ PHE A 74 -1.019 3.711 -15.709 1.00 4.50 H new ATOM 1121 N ASP A 75 -3.577 2.672 -9.655 1.00 65.32 N ATOM 1122 CA ASP A 75 -2.332 2.293 -8.997 1.00 21.45 C ATOM 1123 C ASP A 75 -2.414 0.867 -8.459 1.00 43.23 C ATOM 1124 O ASP A 75 -1.425 0.135 -8.463 1.00 43.20 O ATOM 1125 CB ASP A 75 -2.017 3.263 -7.857 1.00 41.11 C ATOM 1126 CG ASP A 75 -1.263 4.489 -8.333 1.00 2.21 C ATOM 1127 OD1 ASP A 75 -0.136 4.330 -8.847 1.00 73.13 O ATOM 1128 OD2 ASP A 75 -1.799 5.608 -8.190 1.00 2.31 O ATOM 0 H ASP A 75 -4.136 3.353 -9.141 1.00 65.32 H new ATOM 0 HA ASP A 75 -1.531 2.339 -9.735 1.00 21.45 H new ATOM 0 HB2 ASP A 75 -2.947 3.574 -7.381 1.00 41.11 H new ATOM 0 HB3 ASP A 75 -1.427 2.749 -7.099 1.00 41.11 H new ATOM 1133 N GLU A 76 -3.599 0.481 -7.997 1.00 40.41 N ATOM 1134 CA GLU A 76 -3.808 -0.856 -7.455 1.00 12.14 C ATOM 1135 C GLU A 76 -4.055 -1.864 -8.573 1.00 72.21 C ATOM 1136 O GLU A 76 -3.647 -3.022 -8.481 1.00 3.33 O ATOM 1137 CB GLU A 76 -4.990 -0.857 -6.482 1.00 45.21 C ATOM 1138 CG GLU A 76 -4.717 -0.101 -5.193 1.00 10.52 C ATOM 1139 CD GLU A 76 -5.975 0.492 -4.587 1.00 45.22 C ATOM 1140 OE1 GLU A 76 -7.069 -0.053 -4.842 1.00 61.11 O ATOM 1141 OE2 GLU A 76 -5.865 1.501 -3.859 1.00 63.50 O ATOM 0 H GLU A 76 -4.428 1.075 -7.987 1.00 40.41 H new ATOM 0 HA GLU A 76 -2.905 -1.148 -6.919 1.00 12.14 H new ATOM 0 HB2 GLU A 76 -5.856 -0.416 -6.975 1.00 45.21 H new ATOM 0 HB3 GLU A 76 -5.250 -1.888 -6.241 1.00 45.21 H new ATOM 0 HG2 GLU A 76 -4.254 -0.775 -4.472 1.00 10.52 H new ATOM 0 HG3 GLU A 76 -4.001 0.697 -5.389 1.00 10.52 H new ATOM 1148 N TRP A 77 -4.726 -1.416 -9.628 1.00 15.14 N ATOM 1149 CA TRP A 77 -5.029 -2.279 -10.764 1.00 41.31 C ATOM 1150 C TRP A 77 -3.759 -2.641 -11.526 1.00 42.51 C ATOM 1151 O TRP A 77 -3.598 -3.773 -11.982 1.00 61.40 O ATOM 1152 CB TRP A 77 -6.023 -1.592 -11.702 1.00 2.40 C ATOM 1153 CG TRP A 77 -6.500 -2.477 -12.814 1.00 1.35 C ATOM 1154 CD1 TRP A 77 -7.683 -3.156 -12.870 1.00 31.34 C ATOM 1155 CD2 TRP A 77 -5.803 -2.779 -14.027 1.00 54.23 C ATOM 1156 NE1 TRP A 77 -7.764 -3.863 -14.045 1.00 51.23 N ATOM 1157 CE2 TRP A 77 -6.624 -3.647 -14.773 1.00 71.34 C ATOM 1158 CE3 TRP A 77 -4.568 -2.399 -14.558 1.00 4.24 C ATOM 1159 CZ2 TRP A 77 -6.246 -4.141 -16.019 1.00 53.13 C ATOM 1160 CZ3 TRP A 77 -4.194 -2.890 -15.794 1.00 50.21 C ATOM 1161 CH2 TRP A 77 -5.031 -3.753 -16.514 1.00 51.52 C ATOM 0 H TRP A 77 -5.071 -0.460 -9.721 1.00 15.14 H new ATOM 0 HA TRP A 77 -5.476 -3.197 -10.382 1.00 41.31 H new ATOM 0 HB2 TRP A 77 -6.882 -1.252 -11.124 1.00 2.40 H new ATOM 0 HB3 TRP A 77 -5.555 -0.705 -12.129 1.00 2.40 H new ATOM 0 HD1 TRP A 77 -8.443 -3.140 -12.103 1.00 31.34 H new ATOM 0 HE1 TRP A 77 -8.546 -4.453 -14.329 1.00 51.23 H new ATOM 0 HE3 TRP A 77 -3.917 -1.733 -14.012 1.00 4.24 H new ATOM 0 HZ2 TRP A 77 -6.889 -4.807 -16.575 1.00 53.13 H new ATOM 0 HZ3 TRP A 77 -3.240 -2.604 -16.212 1.00 50.21 H new ATOM 0 HH2 TRP A 77 -4.711 -4.119 -17.478 1.00 51.52 H new ATOM 1172 N LEU A 78 -2.859 -1.673 -11.661 1.00 0.42 N ATOM 1173 CA LEU A 78 -1.602 -1.890 -12.368 1.00 4.01 C ATOM 1174 C LEU A 78 -0.720 -2.883 -11.618 1.00 23.02 C ATOM 1175 O LEU A 78 -0.217 -3.845 -12.199 1.00 35.45 O ATOM 1176 CB LEU A 78 -0.859 -0.565 -12.547 1.00 42.20 C ATOM 1177 CG LEU A 78 -0.007 -0.438 -13.811 1.00 31.24 C ATOM 1178 CD1 LEU A 78 0.792 0.856 -13.788 1.00 71.54 C ATOM 1179 CD2 LEU A 78 0.919 -1.637 -13.952 1.00 25.14 C ATOM 0 H LEU A 78 -2.977 -0.730 -11.290 1.00 0.42 H new ATOM 0 HA LEU A 78 -1.833 -2.305 -13.349 1.00 4.01 H new ATOM 0 HB2 LEU A 78 -1.591 0.242 -12.544 1.00 42.20 H new ATOM 0 HB3 LEU A 78 -0.214 -0.413 -11.682 1.00 42.20 H new ATOM 0 HG LEU A 78 -0.672 -0.415 -14.674 1.00 31.24 H new ATOM 0 HD11 LEU A 78 1.392 0.929 -14.695 1.00 71.54 H new ATOM 0 HD12 LEU A 78 0.109 1.704 -13.735 1.00 71.54 H new ATOM 0 HD13 LEU A 78 1.448 0.863 -12.917 1.00 71.54 H new ATOM 0 HD21 LEU A 78 1.518 -1.530 -14.857 1.00 25.14 H new ATOM 0 HD22 LEU A 78 1.578 -1.692 -13.085 1.00 25.14 H new ATOM 0 HD23 LEU A 78 0.326 -2.549 -14.015 1.00 25.14 H new ATOM 1191 N VAL A 79 -0.537 -2.644 -10.323 1.00 41.11 N ATOM 1192 CA VAL A 79 0.282 -3.519 -9.492 1.00 55.11 C ATOM 1193 C VAL A 79 -0.298 -4.928 -9.441 1.00 62.12 C ATOM 1194 O VAL A 79 0.430 -5.903 -9.255 1.00 10.23 O ATOM 1195 CB VAL A 79 0.406 -2.975 -8.057 1.00 11.44 C ATOM 1196 CG1 VAL A 79 -0.970 -2.779 -7.438 1.00 71.34 C ATOM 1197 CG2 VAL A 79 1.254 -3.907 -7.205 1.00 64.04 C ATOM 0 H VAL A 79 -0.945 -1.852 -9.827 1.00 41.11 H new ATOM 0 HA VAL A 79 1.272 -3.552 -9.947 1.00 55.11 H new ATOM 0 HB VAL A 79 0.901 -2.005 -8.097 1.00 11.44 H new ATOM 0 HG11 VAL A 79 -0.861 -2.394 -6.424 1.00 71.34 H new ATOM 0 HG12 VAL A 79 -1.540 -2.069 -8.037 1.00 71.34 H new ATOM 0 HG13 VAL A 79 -1.495 -3.734 -7.409 1.00 71.34 H new ATOM 0 HG21 VAL A 79 1.331 -3.507 -6.194 1.00 64.04 H new ATOM 0 HG22 VAL A 79 0.789 -4.892 -7.171 1.00 64.04 H new ATOM 0 HG23 VAL A 79 2.250 -3.991 -7.639 1.00 64.04 H new ATOM 1207 N MET A 80 -1.612 -5.028 -9.609 1.00 14.01 N ATOM 1208 CA MET A 80 -2.290 -6.319 -9.584 1.00 23.22 C ATOM 1209 C MET A 80 -1.691 -7.267 -10.618 1.00 24.54 C ATOM 1210 O MET A 80 -1.326 -8.399 -10.298 1.00 15.30 O ATOM 1211 CB MET A 80 -3.786 -6.139 -9.846 1.00 71.43 C ATOM 1212 CG MET A 80 -4.597 -7.408 -9.635 1.00 41.21 C ATOM 1213 SD MET A 80 -6.374 -7.106 -9.647 1.00 14.25 S ATOM 1214 CE MET A 80 -6.514 -5.958 -11.014 1.00 51.22 C ATOM 0 H MET A 80 -2.229 -4.231 -9.764 1.00 14.01 H new ATOM 0 HA MET A 80 -2.152 -6.755 -8.594 1.00 23.22 H new ATOM 0 HB2 MET A 80 -4.170 -5.359 -9.189 1.00 71.43 H new ATOM 0 HB3 MET A 80 -3.928 -5.793 -10.870 1.00 71.43 H new ATOM 0 HG2 MET A 80 -4.349 -8.127 -10.416 1.00 41.21 H new ATOM 0 HG3 MET A 80 -4.316 -7.861 -8.684 1.00 41.21 H new ATOM 0 HE1 MET A 80 -7.549 -5.922 -11.355 1.00 51.22 H new ATOM 0 HE2 MET A 80 -6.205 -4.965 -10.688 1.00 51.22 H new ATOM 0 HE3 MET A 80 -5.874 -6.287 -11.833 1.00 51.22 H new ATOM 1224 N MET A 81 -1.592 -6.799 -11.857 1.00 41.42 N ATOM 1225 CA MET A 81 -1.036 -7.606 -12.937 1.00 41.41 C ATOM 1226 C MET A 81 0.453 -7.854 -12.719 1.00 22.43 C ATOM 1227 O MET A 81 0.932 -8.979 -12.864 1.00 11.32 O ATOM 1228 CB MET A 81 -1.257 -6.915 -14.284 1.00 73.54 C ATOM 1229 CG MET A 81 -1.943 -7.799 -15.314 1.00 51.41 C ATOM 1230 SD MET A 81 -3.278 -6.949 -16.179 1.00 31.23 S ATOM 1231 CE MET A 81 -4.419 -6.650 -14.830 1.00 64.44 C ATOM 0 H MET A 81 -1.889 -5.865 -12.139 1.00 41.42 H new ATOM 0 HA MET A 81 -1.550 -8.567 -12.941 1.00 41.41 H new ATOM 0 HB2 MET A 81 -1.857 -6.018 -14.129 1.00 73.54 H new ATOM 0 HB3 MET A 81 -0.294 -6.590 -14.679 1.00 73.54 H new ATOM 0 HG2 MET A 81 -1.206 -8.144 -16.040 1.00 51.41 H new ATOM 0 HG3 MET A 81 -2.342 -8.685 -14.819 1.00 51.41 H new ATOM 0 HE1 MET A 81 -5.442 -6.782 -15.182 1.00 64.44 H new ATOM 0 HE2 MET A 81 -4.220 -7.354 -14.022 1.00 64.44 H new ATOM 0 HE3 MET A 81 -4.291 -5.631 -14.464 1.00 64.44 H new ATOM 1241 N ALA A 82 1.180 -6.798 -12.370 1.00 1.04 N ATOM 1242 CA ALA A 82 2.614 -6.903 -12.130 1.00 10.13 C ATOM 1243 C ALA A 82 2.921 -7.987 -11.102 1.00 71.12 C ATOM 1244 O ALA A 82 4.003 -8.573 -11.109 1.00 25.21 O ATOM 1245 CB ALA A 82 3.171 -5.564 -11.670 1.00 25.04 C ATOM 0 H ALA A 82 0.799 -5.860 -12.247 1.00 1.04 H new ATOM 0 HA ALA A 82 3.095 -7.182 -13.068 1.00 10.13 H new ATOM 0 HB1 ALA A 82 4.243 -5.657 -11.494 1.00 25.04 H new ATOM 0 HB2 ALA A 82 2.993 -4.812 -12.439 1.00 25.04 H new ATOM 0 HB3 ALA A 82 2.677 -5.262 -10.747 1.00 25.04 H new ATOM 1251 N ARG A 83 1.962 -8.248 -10.220 1.00 72.31 N ATOM 1252 CA ARG A 83 2.131 -9.261 -9.185 1.00 10.11 C ATOM 1253 C ARG A 83 2.316 -10.644 -9.802 1.00 51.04 C ATOM 1254 O ARG A 83 2.889 -11.540 -9.182 1.00 33.34 O ATOM 1255 CB ARG A 83 0.924 -9.267 -8.246 1.00 35.33 C ATOM 1256 CG ARG A 83 1.052 -10.252 -7.095 1.00 70.43 C ATOM 1257 CD ARG A 83 0.405 -9.716 -5.828 1.00 23.12 C ATOM 1258 NE ARG A 83 -0.599 -10.633 -5.296 1.00 12.03 N ATOM 1259 CZ ARG A 83 -1.019 -10.613 -4.035 1.00 45.24 C ATOM 1260 NH1 ARG A 83 -0.523 -9.727 -3.182 1.00 41.15 N ATOM 1261 NH2 ARG A 83 -1.936 -11.480 -3.626 1.00 41.31 N ATOM 0 H ARG A 83 1.060 -7.772 -10.201 1.00 72.31 H new ATOM 0 HA ARG A 83 3.026 -9.015 -8.614 1.00 10.11 H new ATOM 0 HB2 ARG A 83 0.784 -8.265 -7.841 1.00 35.33 H new ATOM 0 HB3 ARG A 83 0.029 -9.507 -8.820 1.00 35.33 H new ATOM 0 HG2 ARG A 83 0.586 -11.198 -7.371 1.00 70.43 H new ATOM 0 HG3 ARG A 83 2.106 -10.459 -6.907 1.00 70.43 H new ATOM 0 HD2 ARG A 83 1.173 -9.543 -5.074 1.00 23.12 H new ATOM 0 HD3 ARG A 83 -0.059 -8.752 -6.038 1.00 23.12 H new ATOM 0 HE ARG A 83 -1.000 -11.327 -5.927 1.00 12.03 H new ATOM 0 HH11 ARG A 83 0.182 -9.059 -3.493 1.00 41.15 H new ATOM 0 HH12 ARG A 83 -0.847 -9.714 -2.215 1.00 41.15 H new ATOM 0 HH21 ARG A 83 -2.320 -12.163 -4.279 1.00 41.31 H new ATOM 0 HH22 ARG A 83 -2.257 -11.464 -2.658 1.00 41.31 H new ATOM 1275 N CYS A 84 1.827 -10.810 -11.026 1.00 42.34 N ATOM 1276 CA CYS A 84 1.937 -12.084 -11.728 1.00 4.13 C ATOM 1277 C CYS A 84 3.383 -12.363 -12.125 1.00 43.41 C ATOM 1278 O CYS A 84 3.755 -13.505 -12.391 1.00 30.21 O ATOM 1279 CB CYS A 84 1.045 -12.085 -12.970 1.00 20.03 C ATOM 1280 SG CYS A 84 0.883 -13.703 -13.761 1.00 13.14 S ATOM 0 H CYS A 84 1.350 -10.078 -11.553 1.00 42.34 H new ATOM 0 HA CYS A 84 1.606 -12.873 -11.052 1.00 4.13 H new ATOM 0 HB2 CYS A 84 0.053 -11.727 -12.692 1.00 20.03 H new ATOM 0 HB3 CYS A 84 1.448 -11.377 -13.694 1.00 20.03 H new ATOM 0 HG CYS A 84 1.974 -14.386 -13.580 1.00 13.14 H new ATOM 1286 N MET A 85 4.194 -11.310 -12.165 1.00 32.10 N ATOM 1287 CA MET A 85 5.599 -11.442 -12.531 1.00 4.03 C ATOM 1288 C MET A 85 6.419 -11.972 -11.358 1.00 51.52 C ATOM 1289 O MET A 85 7.478 -12.571 -11.548 1.00 14.34 O ATOM 1290 CB MET A 85 6.157 -10.094 -12.990 1.00 44.35 C ATOM 1291 CG MET A 85 6.877 -9.328 -11.892 1.00 41.44 C ATOM 1292 SD MET A 85 7.495 -7.729 -12.452 1.00 3.34 S ATOM 1293 CE MET A 85 6.000 -7.003 -13.119 1.00 43.54 C ATOM 0 H MET A 85 3.902 -10.357 -11.949 1.00 32.10 H new ATOM 0 HA MET A 85 5.669 -12.155 -13.352 1.00 4.03 H new ATOM 0 HB2 MET A 85 6.846 -10.258 -13.819 1.00 44.35 H new ATOM 0 HB3 MET A 85 5.339 -9.483 -13.372 1.00 44.35 H new ATOM 0 HG2 MET A 85 6.197 -9.177 -11.054 1.00 41.44 H new ATOM 0 HG3 MET A 85 7.710 -9.926 -11.523 1.00 41.44 H new ATOM 0 HE1 MET A 85 5.986 -5.935 -12.902 1.00 43.54 H new ATOM 0 HE2 MET A 85 5.972 -7.154 -14.198 1.00 43.54 H new ATOM 0 HE3 MET A 85 5.131 -7.477 -12.664 1.00 43.54 H new