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 -92:sc= 1.23 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 150:sc= -0.101 (180deg=-0.642) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 16 GLN : amide:sc= -0.36 K(o=-0.36,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 0.371 (180deg=-0.0324) USER MOD Single : A 18 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.3) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.0426 (180deg=-0.321) USER MOD Single : A 35 CYS SG : rot -0:sc= 0.166 USER MOD Single : A 37 SER OG : rot 138:sc= -1.19 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= -0.28 (180deg=-1.66!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -173:sc= -2.8 (180deg=-3.04) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 53 THR OG1 : rot 160:sc= -2.49! USER MOD Single : A 58 GLN :FLIP amide:sc= -0.201 F(o=-0.83,f=-0.2) USER MOD Single : A 60 MET CE :methyl 180:sc= -0.0321 (180deg=-0.0321) USER MOD Single : A 80 MET CE :methyl -129:sc= -1.99 (180deg=-2.61!) USER MOD Single : A 81 MET CE :methyl 130:sc= -1.76 (180deg=-3.15!) USER MOD Single : A 84 CYS SG : rot -34:sc= 0.00355 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.521 -5.121 -5.484 1.00 43.12 N ATOM 62 CA TYR A 5 5.536 -4.929 -6.542 1.00 44.30 C ATOM 63 C TYR A 5 5.780 -3.617 -7.282 1.00 1.35 C ATOM 64 O TYR A 5 5.711 -3.560 -8.509 1.00 51.35 O ATOM 65 CB TYR A 5 4.122 -4.944 -5.960 1.00 0.33 C ATOM 66 CG TYR A 5 3.717 -6.283 -5.386 1.00 45.02 C ATOM 67 CD1 TYR A 5 3.960 -7.461 -6.083 1.00 3.34 C ATOM 68 CD2 TYR A 5 3.092 -6.371 -4.149 1.00 14.10 C ATOM 69 CE1 TYR A 5 3.592 -8.687 -5.563 1.00 51.41 C ATOM 70 CE2 TYR A 5 2.721 -7.592 -3.621 1.00 61.51 C ATOM 71 CZ TYR A 5 2.973 -8.747 -4.332 1.00 21.31 C ATOM 72 OH TYR A 5 2.604 -9.966 -3.810 1.00 63.11 O ATOM 0 HA TYR A 5 5.638 -5.750 -7.252 1.00 44.30 H new ATOM 0 HB2 TYR A 5 4.052 -4.187 -5.179 1.00 0.33 H new ATOM 0 HB3 TYR A 5 3.414 -4.664 -6.740 1.00 0.33 H new ATOM 0 HD1 TYR A 5 4.445 -7.417 -7.047 1.00 3.34 H new ATOM 0 HD2 TYR A 5 2.893 -5.469 -3.590 1.00 14.10 H new ATOM 0 HE1 TYR A 5 3.788 -9.593 -6.117 1.00 51.41 H new ATOM 0 HE2 TYR A 5 2.236 -7.642 -2.657 1.00 61.51 H new ATOM 0 HH TYR A 5 2.181 -9.833 -2.936 1.00 63.11 H new ATOM 82 N LYS A 6 6.066 -2.563 -6.524 1.00 45.05 N ATOM 83 CA LYS A 6 6.323 -1.250 -7.105 1.00 22.30 C ATOM 84 C LYS A 6 7.550 -1.286 -8.010 1.00 64.21 C ATOM 85 O LYS A 6 7.557 -0.689 -9.086 1.00 5.42 O ATOM 86 CB LYS A 6 6.522 -0.211 -5.999 1.00 70.04 C ATOM 87 CG LYS A 6 5.256 0.097 -5.220 1.00 15.43 C ATOM 88 CD LYS A 6 5.448 -0.131 -3.730 1.00 5.42 C ATOM 89 CE LYS A 6 5.597 1.184 -2.979 1.00 52.14 C ATOM 90 NZ LYS A 6 4.381 2.034 -3.105 1.00 12.54 N ATOM 0 H LYS A 6 6.126 -2.593 -5.506 1.00 45.05 H new ATOM 0 HA LYS A 6 5.458 -0.971 -7.707 1.00 22.30 H new ATOM 0 HB2 LYS A 6 7.285 -0.569 -5.308 1.00 70.04 H new ATOM 0 HB3 LYS A 6 6.900 0.711 -6.442 1.00 70.04 H new ATOM 0 HG2 LYS A 6 4.962 1.132 -5.396 1.00 15.43 H new ATOM 0 HG3 LYS A 6 4.443 -0.531 -5.583 1.00 15.43 H new ATOM 0 HD2 LYS A 6 4.597 -0.684 -3.333 1.00 5.42 H new ATOM 0 HD3 LYS A 6 6.332 -0.747 -3.566 1.00 5.42 H new ATOM 0 HE2 LYS A 6 5.791 0.981 -1.926 1.00 52.14 H new ATOM 0 HE3 LYS A 6 6.461 1.726 -3.363 1.00 52.14 H new ATOM 0 HZ1 LYS A 6 4.277 2.620 -2.252 1.00 12.54 H new ATOM 0 HZ2 LYS A 6 4.472 2.649 -3.939 1.00 12.54 H new ATOM 0 HZ3 LYS A 6 3.543 1.427 -3.212 1.00 12.54 H new ATOM 104 N ALA A 7 8.586 -1.992 -7.568 1.00 10.14 N ATOM 105 CA ALA A 7 9.817 -2.108 -8.340 1.00 31.34 C ATOM 106 C ALA A 7 9.586 -2.892 -9.627 1.00 34.52 C ATOM 107 O ALA A 7 10.354 -2.778 -10.581 1.00 41.21 O ATOM 108 CB ALA A 7 10.903 -2.770 -7.504 1.00 42.43 C ATOM 0 H ALA A 7 8.597 -2.492 -6.679 1.00 10.14 H new ATOM 0 HA ALA A 7 10.143 -1.104 -8.611 1.00 31.34 H new ATOM 0 HB1 ALA A 7 11.817 -2.850 -8.093 1.00 42.43 H new ATOM 0 HB2 ALA A 7 11.095 -2.169 -6.615 1.00 42.43 H new ATOM 0 HB3 ALA A 7 10.576 -3.766 -7.205 1.00 42.43 H new ATOM 114 N ALA A 8 8.522 -3.690 -9.646 1.00 5.34 N ATOM 115 CA ALA A 8 8.190 -4.492 -10.816 1.00 53.23 C ATOM 116 C ALA A 8 7.476 -3.653 -11.872 1.00 24.35 C ATOM 117 O ALA A 8 7.765 -3.760 -13.063 1.00 63.24 O ATOM 118 CB ALA A 8 7.330 -5.681 -10.414 1.00 53.23 C ATOM 0 H ALA A 8 7.876 -3.797 -8.864 1.00 5.34 H new ATOM 0 HA ALA A 8 9.120 -4.860 -11.249 1.00 53.23 H new ATOM 0 HB1 ALA A 8 7.089 -6.271 -11.298 1.00 53.23 H new ATOM 0 HB2 ALA A 8 7.875 -6.300 -9.701 1.00 53.23 H new ATOM 0 HB3 ALA A 8 6.408 -5.324 -9.954 1.00 53.23 H new ATOM 124 N VAL A 9 6.543 -2.819 -11.426 1.00 15.12 N ATOM 125 CA VAL A 9 5.788 -1.961 -12.332 1.00 71.51 C ATOM 126 C VAL A 9 6.658 -0.832 -12.872 1.00 12.10 C ATOM 127 O VAL A 9 6.476 -0.382 -14.003 1.00 11.03 O ATOM 128 CB VAL A 9 4.554 -1.357 -11.636 1.00 3.33 C ATOM 129 CG1 VAL A 9 3.496 -2.424 -11.402 1.00 21.01 C ATOM 130 CG2 VAL A 9 4.954 -0.694 -10.326 1.00 32.42 C ATOM 0 H VAL A 9 6.291 -2.719 -10.443 1.00 15.12 H new ATOM 0 HA VAL A 9 5.457 -2.588 -13.160 1.00 71.51 H new ATOM 0 HB VAL A 9 4.127 -0.595 -12.288 1.00 3.33 H new ATOM 0 HG11 VAL A 9 2.632 -1.978 -10.909 1.00 21.01 H new ATOM 0 HG12 VAL A 9 3.190 -2.848 -12.358 1.00 21.01 H new ATOM 0 HG13 VAL A 9 3.907 -3.212 -10.771 1.00 21.01 H new ATOM 0 HG21 VAL A 9 4.070 -0.272 -9.847 1.00 32.42 H new ATOM 0 HG22 VAL A 9 5.406 -1.435 -9.666 1.00 32.42 H new ATOM 0 HG23 VAL A 9 5.673 0.101 -10.525 1.00 32.42 H new ATOM 140 N GLU A 10 7.604 -0.379 -12.055 1.00 51.23 N ATOM 141 CA GLU A 10 8.502 0.699 -12.452 1.00 4.11 C ATOM 142 C GLU A 10 9.488 0.222 -13.515 1.00 2.43 C ATOM 143 O GLU A 10 9.952 1.007 -14.342 1.00 14.13 O ATOM 144 CB GLU A 10 9.264 1.231 -11.236 1.00 40.42 C ATOM 145 CG GLU A 10 8.451 2.188 -10.380 1.00 23.44 C ATOM 146 CD GLU A 10 9.319 3.171 -9.619 1.00 43.55 C ATOM 147 OE1 GLU A 10 9.729 4.188 -10.218 1.00 61.31 O ATOM 148 OE2 GLU A 10 9.588 2.925 -8.425 1.00 65.41 O ATOM 0 H GLU A 10 7.768 -0.741 -11.116 1.00 51.23 H new ATOM 0 HA GLU A 10 7.899 1.503 -12.875 1.00 4.11 H new ATOM 0 HB2 GLU A 10 9.584 0.390 -10.622 1.00 40.42 H new ATOM 0 HB3 GLU A 10 10.166 1.739 -11.577 1.00 40.42 H new ATOM 0 HG2 GLU A 10 7.757 2.738 -11.016 1.00 23.44 H new ATOM 0 HG3 GLU A 10 7.850 1.616 -9.673 1.00 23.44 H new ATOM 155 N GLN A 11 9.804 -1.068 -13.484 1.00 73.43 N ATOM 156 CA GLN A 11 10.735 -1.649 -14.444 1.00 22.41 C ATOM 157 C GLN A 11 10.004 -2.118 -15.697 1.00 72.33 C ATOM 158 O GLN A 11 10.577 -2.807 -16.543 1.00 1.24 O ATOM 159 CB GLN A 11 11.488 -2.820 -13.810 1.00 65.45 C ATOM 160 CG GLN A 11 10.595 -3.998 -13.456 1.00 61.34 C ATOM 161 CD GLN A 11 11.384 -5.238 -13.083 1.00 41.15 C ATOM 162 OE1 GLN A 11 12.177 -5.223 -12.141 1.00 71.14 O ATOM 163 NE2 GLN A 11 11.171 -6.320 -13.822 1.00 74.34 N ATOM 0 H GLN A 11 9.429 -1.731 -12.805 1.00 73.43 H new ATOM 0 HA GLN A 11 11.450 -0.878 -14.731 1.00 22.41 H new ATOM 0 HB2 GLN A 11 12.264 -3.157 -14.497 1.00 65.45 H new ATOM 0 HB3 GLN A 11 11.991 -2.472 -12.908 1.00 65.45 H new ATOM 0 HG2 GLN A 11 9.947 -3.721 -12.625 1.00 61.34 H new ATOM 0 HG3 GLN A 11 9.947 -4.225 -14.303 1.00 61.34 H new ATOM 0 HE21 GLN A 11 10.504 -6.288 -14.593 1.00 74.34 H new ATOM 0 HE22 GLN A 11 11.674 -7.184 -13.618 1.00 74.34 H new ATOM 172 N LEU A 12 8.735 -1.742 -15.811 1.00 50.34 N ATOM 173 CA LEU A 12 7.924 -2.124 -16.962 1.00 50.23 C ATOM 174 C LEU A 12 8.373 -1.380 -18.216 1.00 64.40 C ATOM 175 O LEU A 12 9.281 -0.549 -18.167 1.00 72.21 O ATOM 176 CB LEU A 12 6.447 -1.837 -16.688 1.00 33.43 C ATOM 177 CG LEU A 12 5.724 -2.842 -15.790 1.00 73.42 C ATOM 178 CD1 LEU A 12 4.321 -2.354 -15.464 1.00 72.11 C ATOM 179 CD2 LEU A 12 5.673 -4.211 -16.454 1.00 42.42 C ATOM 0 H LEU A 12 8.245 -1.173 -15.121 1.00 50.34 H new ATOM 0 HA LEU A 12 8.056 -3.193 -17.129 1.00 50.23 H new ATOM 0 HB2 LEU A 12 6.368 -0.850 -16.232 1.00 33.43 H new ATOM 0 HB3 LEU A 12 5.923 -1.790 -17.643 1.00 33.43 H new ATOM 0 HG LEU A 12 6.281 -2.933 -14.858 1.00 73.42 H new ATOM 0 HD11 LEU A 12 3.822 -3.082 -14.824 1.00 72.11 H new ATOM 0 HD12 LEU A 12 4.380 -1.396 -14.947 1.00 72.11 H new ATOM 0 HD13 LEU A 12 3.754 -2.233 -16.387 1.00 72.11 H new ATOM 0 HD21 LEU A 12 5.155 -4.913 -15.801 1.00 42.42 H new ATOM 0 HD22 LEU A 12 5.140 -4.136 -17.402 1.00 42.42 H new ATOM 0 HD23 LEU A 12 6.688 -4.565 -16.636 1.00 42.42 H new ATOM 191 N THR A 13 7.731 -1.683 -19.340 1.00 32.22 N ATOM 192 CA THR A 13 8.063 -1.044 -20.606 1.00 42.44 C ATOM 193 C THR A 13 7.015 -0.005 -20.989 1.00 44.34 C ATOM 194 O THR A 13 5.884 -0.046 -20.508 1.00 54.42 O ATOM 195 CB THR A 13 8.185 -2.077 -21.743 1.00 14.54 C ATOM 196 OG1 THR A 13 8.493 -1.415 -22.975 1.00 20.42 O ATOM 197 CG2 THR A 13 6.894 -2.868 -21.895 1.00 3.22 C ATOM 0 H THR A 13 6.977 -2.368 -19.399 1.00 32.22 H new ATOM 0 HA THR A 13 9.026 -0.552 -20.468 1.00 42.44 H new ATOM 0 HB THR A 13 8.989 -2.769 -21.492 1.00 14.54 H new ATOM 0 HG1 THR A 13 8.571 -2.078 -23.692 1.00 20.42 H new ATOM 0 HG21 THR A 13 7.003 -3.591 -22.703 1.00 3.22 H new ATOM 0 HG22 THR A 13 6.678 -3.393 -20.965 1.00 3.22 H new ATOM 0 HG23 THR A 13 6.075 -2.187 -22.126 1.00 3.22 H new ATOM 205 N GLU A 14 7.400 0.925 -21.858 1.00 62.13 N ATOM 206 CA GLU A 14 6.492 1.974 -22.305 1.00 50.53 C ATOM 207 C GLU A 14 5.181 1.380 -22.812 1.00 40.22 C ATOM 208 O GLU A 14 4.111 1.956 -22.618 1.00 42.23 O ATOM 209 CB GLU A 14 7.146 2.810 -23.408 1.00 12.02 C ATOM 210 CG GLU A 14 8.493 3.391 -23.013 1.00 64.44 C ATOM 211 CD GLU A 14 9.047 4.341 -24.057 1.00 2.20 C ATOM 212 OE1 GLU A 14 9.074 3.964 -25.247 1.00 51.04 O ATOM 213 OE2 GLU A 14 9.454 5.461 -23.684 1.00 11.21 O ATOM 0 H GLU A 14 8.334 0.973 -22.266 1.00 62.13 H new ATOM 0 HA GLU A 14 6.274 2.617 -21.452 1.00 50.53 H new ATOM 0 HB2 GLU A 14 7.273 2.190 -24.295 1.00 12.02 H new ATOM 0 HB3 GLU A 14 6.475 3.624 -23.682 1.00 12.02 H new ATOM 0 HG2 GLU A 14 8.393 3.918 -22.064 1.00 64.44 H new ATOM 0 HG3 GLU A 14 9.202 2.579 -22.853 1.00 64.44 H new ATOM 220 N GLU A 15 5.274 0.225 -23.463 1.00 23.53 N ATOM 221 CA GLU A 15 4.096 -0.447 -23.999 1.00 1.24 C ATOM 222 C GLU A 15 3.166 -0.894 -22.874 1.00 61.04 C ATOM 223 O GLU A 15 1.945 -0.804 -22.994 1.00 34.14 O ATOM 224 CB GLU A 15 4.510 -1.654 -24.844 1.00 15.43 C ATOM 225 CG GLU A 15 5.507 -1.316 -25.939 1.00 23.50 C ATOM 226 CD GLU A 15 5.743 -2.474 -26.890 1.00 11.11 C ATOM 227 OE1 GLU A 15 6.388 -3.460 -26.477 1.00 33.12 O ATOM 228 OE2 GLU A 15 5.282 -2.393 -28.048 1.00 14.13 O ATOM 0 H GLU A 15 6.153 -0.265 -23.632 1.00 23.53 H new ATOM 0 HA GLU A 15 3.560 0.262 -24.630 1.00 1.24 H new ATOM 0 HB2 GLU A 15 4.943 -2.413 -24.192 1.00 15.43 H new ATOM 0 HB3 GLU A 15 3.621 -2.092 -25.297 1.00 15.43 H new ATOM 0 HG2 GLU A 15 5.145 -0.456 -26.502 1.00 23.50 H new ATOM 0 HG3 GLU A 15 6.454 -1.024 -25.486 1.00 23.50 H new ATOM 235 N GLN A 16 3.754 -1.376 -21.784 1.00 63.24 N ATOM 236 CA GLN A 16 2.979 -1.839 -20.640 1.00 13.44 C ATOM 237 C GLN A 16 2.147 -0.704 -20.051 1.00 41.42 C ATOM 238 O GLN A 16 0.949 -0.856 -19.812 1.00 70.45 O ATOM 239 CB GLN A 16 3.906 -2.416 -19.568 1.00 53.14 C ATOM 240 CG GLN A 16 4.343 -3.845 -19.848 1.00 41.41 C ATOM 241 CD GLN A 16 3.362 -4.870 -19.316 1.00 32.22 C ATOM 242 OE1 GLN A 16 2.885 -4.762 -18.186 1.00 13.22 O ATOM 243 NE2 GLN A 16 3.054 -5.874 -20.129 1.00 45.22 N ATOM 0 H GLN A 16 4.764 -1.456 -21.669 1.00 63.24 H new ATOM 0 HA GLN A 16 2.302 -2.621 -20.985 1.00 13.44 H new ATOM 0 HB2 GLN A 16 4.790 -1.784 -19.485 1.00 53.14 H new ATOM 0 HB3 GLN A 16 3.399 -2.382 -18.604 1.00 53.14 H new ATOM 0 HG2 GLN A 16 4.458 -3.982 -20.923 1.00 41.41 H new ATOM 0 HG3 GLN A 16 5.321 -4.016 -19.399 1.00 41.41 H new ATOM 0 HE21 GLN A 16 3.473 -5.925 -21.058 1.00 45.22 H new ATOM 0 HE22 GLN A 16 2.399 -6.594 -19.825 1.00 45.22 H new ATOM 252 N LYS A 17 2.790 0.436 -19.819 1.00 24.42 N ATOM 253 CA LYS A 17 2.111 1.598 -19.259 1.00 21.00 C ATOM 254 C LYS A 17 1.001 2.079 -20.188 1.00 32.23 C ATOM 255 O LYS A 17 -0.104 2.386 -19.742 1.00 41.51 O ATOM 256 CB LYS A 17 3.111 2.730 -19.014 1.00 24.12 C ATOM 257 CG LYS A 17 3.664 2.757 -17.599 1.00 43.34 C ATOM 258 CD LYS A 17 4.482 1.513 -17.296 1.00 44.23 C ATOM 259 CE LYS A 17 4.967 1.503 -15.855 1.00 23.53 C ATOM 260 NZ LYS A 17 6.388 1.935 -15.744 1.00 50.22 N ATOM 0 H LYS A 17 3.782 0.579 -20.011 1.00 24.42 H new ATOM 0 HA LYS A 17 1.665 1.304 -18.309 1.00 21.00 H new ATOM 0 HB2 LYS A 17 3.938 2.631 -19.717 1.00 24.12 H new ATOM 0 HB3 LYS A 17 2.626 3.684 -19.224 1.00 24.12 H new ATOM 0 HG2 LYS A 17 4.285 3.643 -17.467 1.00 43.34 H new ATOM 0 HG3 LYS A 17 2.842 2.835 -16.888 1.00 43.34 H new ATOM 0 HD2 LYS A 17 3.879 0.625 -17.484 1.00 44.23 H new ATOM 0 HD3 LYS A 17 5.338 1.466 -17.969 1.00 44.23 H new ATOM 0 HE2 LYS A 17 4.339 2.163 -15.256 1.00 23.53 H new ATOM 0 HE3 LYS A 17 4.859 0.500 -15.443 1.00 23.53 H new ATOM 0 HZ1 LYS A 17 6.889 1.312 -15.078 1.00 50.22 H new ATOM 0 HZ2 LYS A 17 6.842 1.880 -16.678 1.00 50.22 H new ATOM 0 HZ3 LYS A 17 6.427 2.915 -15.398 1.00 50.22 H new ATOM 274 N ASN A 18 1.302 2.140 -21.481 1.00 31.52 N ATOM 275 CA ASN A 18 0.328 2.582 -22.472 1.00 42.23 C ATOM 276 C ASN A 18 -0.929 1.719 -22.423 1.00 41.13 C ATOM 277 O ASN A 18 -2.043 2.233 -22.328 1.00 3.22 O ATOM 278 CB ASN A 18 0.939 2.534 -23.874 1.00 41.13 C ATOM 279 CG ASN A 18 1.479 3.880 -24.316 1.00 5.40 C ATOM 280 OD1 ASN A 18 0.804 4.903 -24.195 1.00 24.22 O ATOM 281 ND2 ASN A 18 2.703 3.886 -24.832 1.00 1.31 N ATOM 0 H ASN A 18 2.212 1.889 -21.867 1.00 31.52 H new ATOM 0 HA ASN A 18 0.050 3.610 -22.238 1.00 42.23 H new ATOM 0 HB2 ASN A 18 1.744 1.799 -23.892 1.00 41.13 H new ATOM 0 HB3 ASN A 18 0.184 2.197 -24.585 1.00 41.13 H new ATOM 0 HD21 ASN A 18 3.119 4.762 -25.147 1.00 1.31 H new ATOM 0 HD22 ASN A 18 3.226 3.014 -24.913 1.00 1.31 H new ATOM 288 N GLU A 19 -0.741 0.405 -22.489 1.00 23.32 N ATOM 289 CA GLU A 19 -1.860 -0.529 -22.452 1.00 61.31 C ATOM 290 C GLU A 19 -2.545 -0.505 -21.088 1.00 45.45 C ATOM 291 O GLU A 19 -3.761 -0.669 -20.989 1.00 3.11 O ATOM 292 CB GLU A 19 -1.380 -1.947 -22.769 1.00 32.44 C ATOM 293 CG GLU A 19 -0.686 -2.069 -24.115 1.00 1.24 C ATOM 294 CD GLU A 19 0.250 -3.260 -24.183 1.00 2.22 C ATOM 295 OE1 GLU A 19 0.950 -3.521 -23.182 1.00 63.31 O ATOM 296 OE2 GLU A 19 0.283 -3.930 -25.236 1.00 1.20 O ATOM 0 H GLU A 19 0.175 -0.037 -22.568 1.00 23.32 H new ATOM 0 HA GLU A 19 -2.583 -0.220 -23.207 1.00 61.31 H new ATOM 0 HB2 GLU A 19 -0.695 -2.273 -21.986 1.00 32.44 H new ATOM 0 HB3 GLU A 19 -2.234 -2.624 -22.748 1.00 32.44 H new ATOM 0 HG2 GLU A 19 -1.437 -2.157 -24.900 1.00 1.24 H new ATOM 0 HG3 GLU A 19 -0.123 -1.157 -24.313 1.00 1.24 H new ATOM 303 N PHE A 20 -1.754 -0.299 -20.040 1.00 14.20 N ATOM 304 CA PHE A 20 -2.283 -0.254 -18.682 1.00 1.04 C ATOM 305 C PHE A 20 -3.175 0.968 -18.485 1.00 43.50 C ATOM 306 O PHE A 20 -4.133 0.935 -17.712 1.00 62.05 O ATOM 307 CB PHE A 20 -1.138 -0.233 -17.667 1.00 11.43 C ATOM 308 CG PHE A 20 -0.637 -1.600 -17.299 1.00 34.11 C ATOM 309 CD1 PHE A 20 -0.684 -2.639 -18.215 1.00 2.21 C ATOM 310 CD2 PHE A 20 -0.120 -1.847 -16.038 1.00 1.24 C ATOM 311 CE1 PHE A 20 -0.225 -3.898 -17.879 1.00 25.14 C ATOM 312 CE2 PHE A 20 0.341 -3.104 -15.696 1.00 23.23 C ATOM 313 CZ PHE A 20 0.290 -4.131 -16.618 1.00 52.10 C ATOM 0 H PHE A 20 -0.746 -0.161 -20.105 1.00 14.20 H new ATOM 0 HA PHE A 20 -2.884 -1.149 -18.523 1.00 1.04 H new ATOM 0 HB2 PHE A 20 -0.312 0.350 -18.075 1.00 11.43 H new ATOM 0 HB3 PHE A 20 -1.473 0.277 -16.764 1.00 11.43 H new ATOM 0 HD1 PHE A 20 -1.084 -2.462 -19.203 1.00 2.21 H new ATOM 0 HD2 PHE A 20 -0.077 -1.047 -15.313 1.00 1.24 H new ATOM 0 HE1 PHE A 20 -0.269 -4.700 -18.601 1.00 25.14 H new ATOM 0 HE2 PHE A 20 0.741 -3.283 -14.709 1.00 23.23 H new ATOM 0 HZ PHE A 20 0.652 -5.114 -16.354 1.00 52.10 H new ATOM 323 N LYS A 21 -2.852 2.048 -19.189 1.00 72.04 N ATOM 324 CA LYS A 21 -3.623 3.282 -19.095 1.00 4.33 C ATOM 325 C LYS A 21 -4.872 3.212 -19.967 1.00 44.45 C ATOM 326 O LYS A 21 -5.945 3.665 -19.569 1.00 64.51 O ATOM 327 CB LYS A 21 -2.763 4.478 -19.511 1.00 64.42 C ATOM 328 CG LYS A 21 -3.369 5.821 -19.144 1.00 32.23 C ATOM 329 CD LYS A 21 -2.936 6.911 -20.109 1.00 41.21 C ATOM 330 CE LYS A 21 -1.658 7.592 -19.644 1.00 22.12 C ATOM 331 NZ LYS A 21 -1.878 8.404 -18.415 1.00 43.33 N ATOM 0 H LYS A 21 -2.061 2.093 -19.831 1.00 72.04 H new ATOM 0 HA LYS A 21 -3.933 3.409 -18.058 1.00 4.33 H new ATOM 0 HB2 LYS A 21 -1.783 4.391 -19.042 1.00 64.42 H new ATOM 0 HB3 LYS A 21 -2.604 4.443 -20.589 1.00 64.42 H new ATOM 0 HG2 LYS A 21 -4.456 5.743 -19.146 1.00 32.23 H new ATOM 0 HG3 LYS A 21 -3.071 6.091 -18.131 1.00 32.23 H new ATOM 0 HD2 LYS A 21 -2.781 6.482 -21.099 1.00 41.21 H new ATOM 0 HD3 LYS A 21 -3.730 7.651 -20.203 1.00 41.21 H new ATOM 0 HE2 LYS A 21 -0.895 6.838 -19.450 1.00 22.12 H new ATOM 0 HE3 LYS A 21 -1.278 8.233 -20.440 1.00 22.12 H new ATOM 0 HZ1 LYS A 21 -1.143 9.136 -18.346 1.00 43.33 H new ATOM 0 HZ2 LYS A 21 -2.813 8.856 -18.460 1.00 43.33 H new ATOM 0 HZ3 LYS A 21 -1.832 7.787 -17.579 1.00 43.33 H new ATOM 345 N ALA A 22 -4.724 2.642 -21.159 1.00 34.23 N ATOM 346 CA ALA A 22 -5.841 2.510 -22.086 1.00 34.12 C ATOM 347 C ALA A 22 -6.817 1.434 -21.621 1.00 0.25 C ATOM 348 O ALA A 22 -8.013 1.686 -21.481 1.00 12.55 O ATOM 349 CB ALA A 22 -5.332 2.194 -23.484 1.00 51.13 C ATOM 0 H ALA A 22 -3.842 2.265 -21.505 1.00 34.23 H new ATOM 0 HA ALA A 22 -6.374 3.461 -22.111 1.00 34.12 H new ATOM 0 HB1 ALA A 22 -6.177 2.098 -24.166 1.00 51.13 H new ATOM 0 HB2 ALA A 22 -4.680 2.999 -23.825 1.00 51.13 H new ATOM 0 HB3 ALA A 22 -4.773 1.258 -23.465 1.00 51.13 H new ATOM 355 N ALA A 23 -6.298 0.234 -21.383 1.00 60.12 N ATOM 356 CA ALA A 23 -7.123 -0.880 -20.932 1.00 54.35 C ATOM 357 C ALA A 23 -7.923 -0.503 -19.690 1.00 1.31 C ATOM 358 O ALA A 23 -9.035 -0.989 -19.484 1.00 11.10 O ATOM 359 CB ALA A 23 -6.258 -2.100 -20.655 1.00 43.14 C ATOM 0 H ALA A 23 -5.310 0.008 -21.495 1.00 60.12 H new ATOM 0 HA ALA A 23 -7.828 -1.122 -21.727 1.00 54.35 H new ATOM 0 HB1 ALA A 23 -6.888 -2.924 -20.319 1.00 43.14 H new ATOM 0 HB2 ALA A 23 -5.736 -2.391 -21.567 1.00 43.14 H new ATOM 0 HB3 ALA A 23 -5.529 -1.861 -19.880 1.00 43.14 H new ATOM 365 N PHE A 24 -7.349 0.366 -18.864 1.00 33.11 N ATOM 366 CA PHE A 24 -8.008 0.807 -17.640 1.00 73.20 C ATOM 367 C PHE A 24 -9.221 1.677 -17.958 1.00 45.23 C ATOM 368 O PHE A 24 -10.197 1.698 -17.209 1.00 1.43 O ATOM 369 CB PHE A 24 -7.027 1.582 -16.758 1.00 52.12 C ATOM 370 CG PHE A 24 -7.665 2.188 -15.541 1.00 12.10 C ATOM 371 CD1 PHE A 24 -7.954 1.408 -14.433 1.00 11.11 C ATOM 372 CD2 PHE A 24 -7.977 3.538 -15.505 1.00 64.21 C ATOM 373 CE1 PHE A 24 -8.541 1.963 -13.311 1.00 21.30 C ATOM 374 CE2 PHE A 24 -8.563 4.098 -14.386 1.00 21.00 C ATOM 375 CZ PHE A 24 -8.847 3.309 -13.288 1.00 44.31 C ATOM 0 H PHE A 24 -6.429 0.779 -19.020 1.00 33.11 H new ATOM 0 HA PHE A 24 -8.349 -0.077 -17.102 1.00 73.20 H new ATOM 0 HB2 PHE A 24 -6.227 0.912 -16.443 1.00 52.12 H new ATOM 0 HB3 PHE A 24 -6.566 2.374 -17.349 1.00 52.12 H new ATOM 0 HD1 PHE A 24 -7.718 0.354 -14.446 1.00 11.11 H new ATOM 0 HD2 PHE A 24 -7.760 4.159 -16.361 1.00 64.21 H new ATOM 0 HE1 PHE A 24 -8.760 1.344 -12.453 1.00 21.30 H new ATOM 0 HE2 PHE A 24 -8.799 5.152 -14.370 1.00 21.00 H new ATOM 0 HZ PHE A 24 -9.307 3.744 -12.413 1.00 44.31 H new ATOM 385 N ASP A 25 -9.150 2.394 -19.074 1.00 62.05 N ATOM 386 CA ASP A 25 -10.241 3.266 -19.493 1.00 41.15 C ATOM 387 C ASP A 25 -11.479 2.452 -19.854 1.00 74.14 C ATOM 388 O ASP A 25 -12.599 2.812 -19.489 1.00 22.45 O ATOM 389 CB ASP A 25 -9.810 4.119 -20.688 1.00 13.34 C ATOM 390 CG ASP A 25 -10.890 5.088 -21.126 1.00 55.52 C ATOM 391 OD1 ASP A 25 -11.431 5.807 -20.259 1.00 72.11 O ATOM 392 OD2 ASP A 25 -11.195 5.129 -22.336 1.00 44.35 O ATOM 0 H ASP A 25 -8.348 2.389 -19.705 1.00 62.05 H new ATOM 0 HA ASP A 25 -10.490 3.922 -18.659 1.00 41.15 H new ATOM 0 HB2 ASP A 25 -8.910 4.676 -20.428 1.00 13.34 H new ATOM 0 HB3 ASP A 25 -9.551 3.467 -21.522 1.00 13.34 H new ATOM 397 N ILE A 26 -11.271 1.355 -20.574 1.00 62.15 N ATOM 398 CA ILE A 26 -12.370 0.490 -20.984 1.00 54.35 C ATOM 399 C ILE A 26 -13.024 -0.177 -19.779 1.00 41.10 C ATOM 400 O ILE A 26 -14.244 -0.333 -19.728 1.00 11.42 O ATOM 401 CB ILE A 26 -11.895 -0.598 -21.965 1.00 31.43 C ATOM 402 CG1 ILE A 26 -11.266 0.040 -23.205 1.00 10.45 C ATOM 403 CG2 ILE A 26 -13.056 -1.500 -22.358 1.00 24.33 C ATOM 404 CD1 ILE A 26 -9.753 0.029 -23.188 1.00 55.34 C ATOM 0 H ILE A 26 -10.351 1.044 -20.886 1.00 62.15 H new ATOM 0 HA ILE A 26 -13.101 1.125 -21.485 1.00 54.35 H new ATOM 0 HB ILE A 26 -11.138 -1.207 -21.470 1.00 31.43 H new ATOM 0 HG12 ILE A 26 -11.615 -0.488 -24.092 1.00 10.45 H new ATOM 0 HG13 ILE A 26 -11.613 1.070 -23.290 1.00 10.45 H new ATOM 0 HG21 ILE A 26 -12.705 -2.264 -23.052 1.00 24.33 H new ATOM 0 HG22 ILE A 26 -13.463 -1.978 -21.467 1.00 24.33 H new ATOM 0 HG23 ILE A 26 -13.833 -0.905 -22.837 1.00 24.33 H new ATOM 0 HD11 ILE A 26 -9.376 0.497 -24.097 1.00 55.34 H new ATOM 0 HD12 ILE A 26 -9.395 0.582 -22.320 1.00 55.34 H new ATOM 0 HD13 ILE A 26 -9.397 -1.000 -23.135 1.00 55.34 H new ATOM 416 N PHE A 27 -12.204 -0.568 -18.809 1.00 42.03 N ATOM 417 CA PHE A 27 -12.702 -1.218 -17.603 1.00 3.04 C ATOM 418 C PHE A 27 -13.621 -0.284 -16.822 1.00 12.35 C ATOM 419 O PHE A 27 -14.747 -0.646 -16.479 1.00 1.41 O ATOM 420 CB PHE A 27 -11.535 -1.661 -16.718 1.00 3.44 C ATOM 421 CG PHE A 27 -11.053 -3.052 -17.012 1.00 72.53 C ATOM 422 CD1 PHE A 27 -10.591 -3.387 -18.275 1.00 1.01 C ATOM 423 CD2 PHE A 27 -11.062 -4.026 -16.027 1.00 34.23 C ATOM 424 CE1 PHE A 27 -10.148 -4.667 -18.549 1.00 31.22 C ATOM 425 CE2 PHE A 27 -10.620 -5.308 -16.295 1.00 34.24 C ATOM 426 CZ PHE A 27 -10.162 -5.629 -17.557 1.00 44.42 C ATOM 0 H PHE A 27 -11.192 -0.446 -18.835 1.00 42.03 H new ATOM 0 HA PHE A 27 -13.275 -2.095 -17.903 1.00 3.04 H new ATOM 0 HB2 PHE A 27 -10.707 -0.964 -16.847 1.00 3.44 H new ATOM 0 HB3 PHE A 27 -11.840 -1.604 -15.673 1.00 3.44 H new ATOM 0 HD1 PHE A 27 -10.577 -2.639 -19.054 1.00 1.01 H new ATOM 0 HD2 PHE A 27 -11.419 -3.781 -15.038 1.00 34.23 H new ATOM 0 HE1 PHE A 27 -9.791 -4.915 -19.538 1.00 31.22 H new ATOM 0 HE2 PHE A 27 -10.633 -6.058 -15.518 1.00 34.24 H new ATOM 0 HZ PHE A 27 -9.815 -6.630 -17.769 1.00 44.42 H new ATOM 436 N VAL A 28 -13.133 0.921 -16.543 1.00 23.34 N ATOM 437 CA VAL A 28 -13.909 1.908 -15.803 1.00 14.14 C ATOM 438 C VAL A 28 -14.826 2.695 -16.732 1.00 74.03 C ATOM 439 O VAL A 28 -15.502 3.633 -16.308 1.00 14.13 O ATOM 440 CB VAL A 28 -12.995 2.891 -15.049 1.00 4.53 C ATOM 441 CG1 VAL A 28 -12.028 2.138 -14.148 1.00 44.12 C ATOM 442 CG2 VAL A 28 -12.242 3.778 -16.030 1.00 31.50 C ATOM 0 H VAL A 28 -12.203 1.237 -16.819 1.00 23.34 H new ATOM 0 HA VAL A 28 -14.513 1.358 -15.081 1.00 14.14 H new ATOM 0 HB VAL A 28 -13.617 3.529 -14.421 1.00 4.53 H new ATOM 0 HG11 VAL A 28 -11.390 2.850 -13.623 1.00 44.12 H new ATOM 0 HG12 VAL A 28 -12.590 1.550 -13.422 1.00 44.12 H new ATOM 0 HG13 VAL A 28 -11.410 1.474 -14.752 1.00 44.12 H new ATOM 0 HG21 VAL A 28 -11.601 4.467 -15.480 1.00 31.50 H new ATOM 0 HG22 VAL A 28 -11.630 3.158 -16.686 1.00 31.50 H new ATOM 0 HG23 VAL A 28 -12.955 4.346 -16.628 1.00 31.50 H new ATOM 452 N LEU A 29 -14.845 2.307 -18.003 1.00 15.13 N ATOM 453 CA LEU A 29 -15.681 2.976 -18.994 1.00 63.13 C ATOM 454 C LEU A 29 -17.160 2.798 -18.669 1.00 13.41 C ATOM 455 O LEU A 29 -18.003 3.571 -19.123 1.00 73.32 O ATOM 456 CB LEU A 29 -15.385 2.428 -20.392 1.00 1.53 C ATOM 457 CG LEU A 29 -16.467 1.542 -21.008 1.00 72.42 C ATOM 458 CD1 LEU A 29 -17.508 2.389 -21.724 1.00 22.20 C ATOM 459 CD2 LEU A 29 -15.849 0.532 -21.965 1.00 1.34 C ATOM 0 H LEU A 29 -14.292 1.533 -18.371 1.00 15.13 H new ATOM 0 HA LEU A 29 -15.449 4.041 -18.970 1.00 63.13 H new ATOM 0 HB2 LEU A 29 -15.209 3.270 -21.061 1.00 1.53 H new ATOM 0 HB3 LEU A 29 -14.458 1.857 -20.348 1.00 1.53 H new ATOM 0 HG LEU A 29 -16.962 0.996 -20.205 1.00 72.42 H new ATOM 0 HD11 LEU A 29 -18.270 1.740 -22.156 1.00 22.20 H new ATOM 0 HD12 LEU A 29 -17.973 3.072 -21.013 1.00 22.20 H new ATOM 0 HD13 LEU A 29 -17.028 2.963 -22.517 1.00 22.20 H new ATOM 0 HD21 LEU A 29 -16.634 -0.090 -22.394 1.00 1.34 H new ATOM 0 HD22 LEU A 29 -15.327 1.059 -22.763 1.00 1.34 H new ATOM 0 HD23 LEU A 29 -15.143 -0.097 -21.424 1.00 1.34 H new ATOM 471 N GLY A 30 -17.468 1.776 -17.877 1.00 34.13 N ATOM 472 CA GLY A 30 -18.846 1.517 -17.502 1.00 73.31 C ATOM 473 C GLY A 30 -19.265 2.286 -16.265 1.00 53.21 C ATOM 474 O GLY A 30 -20.439 2.616 -16.099 1.00 52.24 O ATOM 0 H GLY A 30 -16.788 1.123 -17.488 1.00 34.13 H new ATOM 0 HA2 GLY A 30 -19.501 1.784 -18.331 1.00 73.31 H new ATOM 0 HA3 GLY A 30 -18.976 0.450 -17.324 1.00 73.31 H new ATOM 478 N ALA A 31 -18.303 2.571 -15.393 1.00 55.45 N ATOM 479 CA ALA A 31 -18.579 3.307 -14.166 1.00 22.04 C ATOM 480 C ALA A 31 -18.830 4.783 -14.455 1.00 11.05 C ATOM 481 O ALA A 31 -18.859 5.202 -15.611 1.00 62.32 O ATOM 482 CB ALA A 31 -17.426 3.148 -13.185 1.00 72.22 C ATOM 0 H ALA A 31 -17.326 2.303 -15.514 1.00 55.45 H new ATOM 0 HA ALA A 31 -19.483 2.893 -13.719 1.00 22.04 H new ATOM 0 HB1 ALA A 31 -17.645 3.703 -12.273 1.00 72.22 H new ATOM 0 HB2 ALA A 31 -17.295 2.093 -12.945 1.00 72.22 H new ATOM 0 HB3 ALA A 31 -16.511 3.534 -13.634 1.00 72.22 H new ATOM 488 N GLU A 32 -19.012 5.566 -13.396 1.00 31.03 N ATOM 489 CA GLU A 32 -19.263 6.995 -13.538 1.00 4.54 C ATOM 490 C GLU A 32 -18.039 7.806 -13.120 1.00 13.34 C ATOM 491 O GLU A 32 -17.510 8.598 -13.900 1.00 22.21 O ATOM 492 CB GLU A 32 -20.473 7.409 -12.699 1.00 15.44 C ATOM 493 CG GLU A 32 -21.805 7.009 -13.312 1.00 44.23 C ATOM 494 CD GLU A 32 -22.182 7.872 -14.501 1.00 21.11 C ATOM 495 OE1 GLU A 32 -21.812 9.065 -14.508 1.00 72.13 O ATOM 496 OE2 GLU A 32 -22.846 7.355 -15.423 1.00 35.11 O ATOM 0 H GLU A 32 -18.990 5.235 -12.431 1.00 31.03 H new ATOM 0 HA GLU A 32 -19.472 7.199 -14.588 1.00 4.54 H new ATOM 0 HB2 GLU A 32 -20.389 6.960 -11.709 1.00 15.44 H new ATOM 0 HB3 GLU A 32 -20.456 8.490 -12.561 1.00 15.44 H new ATOM 0 HG2 GLU A 32 -21.758 5.966 -13.625 1.00 44.23 H new ATOM 0 HG3 GLU A 32 -22.585 7.080 -12.554 1.00 44.23 H new ATOM 503 N ASP A 33 -17.597 7.604 -11.884 1.00 22.54 N ATOM 504 CA ASP A 33 -16.436 8.315 -11.361 1.00 21.32 C ATOM 505 C ASP A 33 -15.151 7.804 -12.004 1.00 65.12 C ATOM 506 O ASP A 33 -14.201 8.560 -12.204 1.00 52.41 O ATOM 507 CB ASP A 33 -16.357 8.159 -9.841 1.00 73.23 C ATOM 508 CG ASP A 33 -17.691 8.404 -9.164 1.00 54.24 C ATOM 509 OD1 ASP A 33 -18.255 9.504 -9.344 1.00 41.41 O ATOM 510 OD2 ASP A 33 -18.173 7.496 -8.456 1.00 24.15 O ATOM 0 H ASP A 33 -18.025 6.954 -11.225 1.00 22.54 H new ATOM 0 HA ASP A 33 -16.548 9.371 -11.605 1.00 21.32 H new ATOM 0 HB2 ASP A 33 -16.009 7.155 -9.599 1.00 73.23 H new ATOM 0 HB3 ASP A 33 -15.618 8.856 -9.445 1.00 73.23 H new ATOM 515 N GLY A 34 -15.127 6.514 -12.326 1.00 35.24 N ATOM 516 CA GLY A 34 -13.953 5.924 -12.942 1.00 35.33 C ATOM 517 C GLY A 34 -13.213 4.991 -12.004 1.00 12.24 C ATOM 518 O GLY A 34 -12.047 5.222 -11.681 1.00 32.32 O ATOM 0 H GLY A 34 -15.900 5.867 -12.171 1.00 35.24 H new ATOM 0 HA2 GLY A 34 -14.252 5.375 -13.835 1.00 35.33 H new ATOM 0 HA3 GLY A 34 -13.279 6.717 -13.267 1.00 35.33 H new ATOM 522 N CYS A 35 -13.891 3.937 -11.564 1.00 21.13 N ATOM 523 CA CYS A 35 -13.291 2.967 -10.654 1.00 43.23 C ATOM 524 C CYS A 35 -13.800 1.560 -10.947 1.00 30.40 C ATOM 525 O CYS A 35 -14.708 1.374 -11.758 1.00 64.32 O ATOM 526 CB CYS A 35 -13.595 3.341 -9.203 1.00 52.30 C ATOM 527 SG CYS A 35 -12.867 4.910 -8.677 1.00 0.51 S ATOM 0 H CYS A 35 -14.856 3.732 -11.822 1.00 21.13 H new ATOM 0 HA CYS A 35 -12.212 2.982 -10.806 1.00 43.23 H new ATOM 0 HB2 CYS A 35 -14.676 3.392 -9.071 1.00 52.30 H new ATOM 0 HB3 CYS A 35 -13.231 2.547 -8.551 1.00 52.30 H new ATOM 0 HG CYS A 35 -12.198 5.430 -9.663 1.00 0.51 H new ATOM 533 N ILE A 36 -13.209 0.572 -10.283 1.00 11.23 N ATOM 534 CA ILE A 36 -13.603 -0.818 -10.472 1.00 60.32 C ATOM 535 C ILE A 36 -13.801 -1.521 -9.133 1.00 51.15 C ATOM 536 O ILE A 36 -12.843 -1.757 -8.397 1.00 15.32 O ATOM 537 CB ILE A 36 -12.557 -1.592 -11.296 1.00 22.43 C ATOM 538 CG1 ILE A 36 -12.375 -0.944 -12.669 1.00 52.35 C ATOM 539 CG2 ILE A 36 -12.970 -3.049 -11.442 1.00 74.23 C ATOM 540 CD1 ILE A 36 -10.968 -1.062 -13.212 1.00 52.52 C ATOM 0 H ILE A 36 -12.455 0.709 -9.609 1.00 11.23 H new ATOM 0 HA ILE A 36 -14.547 -0.807 -11.016 1.00 60.32 H new ATOM 0 HB ILE A 36 -11.603 -1.556 -10.770 1.00 22.43 H new ATOM 0 HG12 ILE A 36 -13.067 -1.405 -13.374 1.00 52.35 H new ATOM 0 HG13 ILE A 36 -12.643 0.111 -12.602 1.00 52.35 H new ATOM 0 HG21 ILE A 36 -12.221 -3.583 -12.027 1.00 74.23 H new ATOM 0 HG22 ILE A 36 -13.052 -3.505 -10.455 1.00 74.23 H new ATOM 0 HG23 ILE A 36 -13.933 -3.105 -11.949 1.00 74.23 H new ATOM 0 HD11 ILE A 36 -10.913 -0.580 -14.188 1.00 52.52 H new ATOM 0 HD12 ILE A 36 -10.272 -0.576 -12.528 1.00 52.52 H new ATOM 0 HD13 ILE A 36 -10.703 -2.115 -13.311 1.00 52.52 H new ATOM 552 N SER A 37 -15.050 -1.855 -8.826 1.00 13.33 N ATOM 553 CA SER A 37 -15.375 -2.529 -7.574 1.00 71.33 C ATOM 554 C SER A 37 -15.288 -4.044 -7.735 1.00 53.12 C ATOM 555 O SER A 37 -15.570 -4.584 -8.805 1.00 70.35 O ATOM 556 CB SER A 37 -16.777 -2.134 -7.106 1.00 71.24 C ATOM 557 OG SER A 37 -17.052 -2.660 -5.820 1.00 12.15 O ATOM 0 H SER A 37 -15.853 -1.670 -9.427 1.00 13.33 H new ATOM 0 HA SER A 37 -14.649 -2.218 -6.823 1.00 71.33 H new ATOM 0 HB2 SER A 37 -16.864 -1.048 -7.084 1.00 71.24 H new ATOM 0 HB3 SER A 37 -17.518 -2.499 -7.818 1.00 71.24 H new ATOM 0 HG SER A 37 -17.506 -1.981 -5.279 1.00 12.15 H new ATOM 563 N THR A 38 -14.896 -4.725 -6.663 1.00 61.21 N ATOM 564 CA THR A 38 -14.770 -6.177 -6.684 1.00 32.01 C ATOM 565 C THR A 38 -16.024 -6.829 -7.254 1.00 72.45 C ATOM 566 O THR A 38 -15.951 -7.862 -7.921 1.00 53.34 O ATOM 567 CB THR A 38 -14.510 -6.739 -5.273 1.00 44.44 C ATOM 568 OG1 THR A 38 -14.712 -8.156 -5.265 1.00 71.14 O ATOM 569 CG2 THR A 38 -15.428 -6.084 -4.252 1.00 62.23 C ATOM 0 H THR A 38 -14.660 -4.294 -5.769 1.00 61.21 H new ATOM 0 HA THR A 38 -13.919 -6.411 -7.323 1.00 32.01 H new ATOM 0 HB THR A 38 -13.477 -6.519 -5.003 1.00 44.44 H new ATOM 0 HG1 THR A 38 -14.543 -8.505 -4.365 1.00 71.14 H new ATOM 0 HG21 THR A 38 -15.226 -6.497 -3.264 1.00 62.23 H new ATOM 0 HG22 THR A 38 -15.250 -5.009 -4.240 1.00 62.23 H new ATOM 0 HG23 THR A 38 -16.467 -6.277 -4.520 1.00 62.23 H new ATOM 577 N LYS A 39 -17.175 -6.221 -6.989 1.00 51.31 N ATOM 578 CA LYS A 39 -18.447 -6.741 -7.478 1.00 3.34 C ATOM 579 C LYS A 39 -18.465 -6.788 -9.002 1.00 75.11 C ATOM 580 O LYS A 39 -18.878 -7.784 -9.596 1.00 24.15 O ATOM 581 CB LYS A 39 -19.603 -5.877 -6.969 1.00 74.14 C ATOM 582 CG LYS A 39 -19.450 -4.402 -7.296 1.00 10.32 C ATOM 583 CD LYS A 39 -20.518 -3.565 -6.611 1.00 72.25 C ATOM 584 CE LYS A 39 -20.184 -3.324 -5.147 1.00 40.34 C ATOM 585 NZ LYS A 39 -20.783 -4.361 -4.263 1.00 71.42 N ATOM 0 H LYS A 39 -17.254 -5.366 -6.438 1.00 51.31 H new ATOM 0 HA LYS A 39 -18.567 -7.756 -7.100 1.00 3.34 H new ATOM 0 HB2 LYS A 39 -20.535 -6.241 -7.401 1.00 74.14 H new ATOM 0 HB3 LYS A 39 -19.685 -5.994 -5.888 1.00 74.14 H new ATOM 0 HG2 LYS A 39 -18.463 -4.060 -6.985 1.00 10.32 H new ATOM 0 HG3 LYS A 39 -19.511 -4.259 -8.375 1.00 10.32 H new ATOM 0 HD2 LYS A 39 -20.617 -2.609 -7.125 1.00 72.25 H new ATOM 0 HD3 LYS A 39 -21.481 -4.069 -6.687 1.00 72.25 H new ATOM 0 HE2 LYS A 39 -19.102 -3.318 -5.018 1.00 40.34 H new ATOM 0 HE3 LYS A 39 -20.546 -2.340 -4.849 1.00 40.34 H new ATOM 0 HZ1 LYS A 39 -21.128 -3.915 -3.389 1.00 71.42 H new ATOM 0 HZ2 LYS A 39 -21.577 -4.819 -4.754 1.00 71.42 H new ATOM 0 HZ3 LYS A 39 -20.064 -5.074 -4.027 1.00 71.42 H new ATOM 599 N GLU A 40 -18.015 -5.706 -9.629 1.00 54.31 N ATOM 600 CA GLU A 40 -17.981 -5.626 -11.085 1.00 3.23 C ATOM 601 C GLU A 40 -16.783 -6.389 -11.643 1.00 74.51 C ATOM 602 O GLU A 40 -16.897 -7.101 -12.642 1.00 34.30 O ATOM 603 CB GLU A 40 -17.924 -4.165 -11.536 1.00 45.02 C ATOM 604 CG GLU A 40 -19.285 -3.574 -11.860 1.00 74.45 C ATOM 605 CD GLU A 40 -20.108 -3.289 -10.619 1.00 41.40 C ATOM 606 OE1 GLU A 40 -19.667 -2.462 -9.793 1.00 63.02 O ATOM 607 OE2 GLU A 40 -21.192 -3.891 -10.473 1.00 62.11 O ATOM 0 H GLU A 40 -17.669 -4.873 -9.152 1.00 54.31 H new ATOM 0 HA GLU A 40 -18.893 -6.082 -11.470 1.00 3.23 H new ATOM 0 HB2 GLU A 40 -17.456 -3.570 -10.752 1.00 45.02 H new ATOM 0 HB3 GLU A 40 -17.286 -4.090 -12.417 1.00 45.02 H new ATOM 0 HG2 GLU A 40 -19.151 -2.650 -12.423 1.00 74.45 H new ATOM 0 HG3 GLU A 40 -19.832 -4.263 -12.504 1.00 74.45 H new ATOM 614 N LEU A 41 -15.636 -6.236 -10.992 1.00 63.11 N ATOM 615 CA LEU A 41 -14.416 -6.910 -11.423 1.00 22.42 C ATOM 616 C LEU A 41 -14.652 -8.408 -11.593 1.00 53.54 C ATOM 617 O LEU A 41 -14.209 -9.009 -12.571 1.00 11.02 O ATOM 618 CB LEU A 41 -13.293 -6.672 -10.411 1.00 55.21 C ATOM 619 CG LEU A 41 -11.961 -7.359 -10.712 1.00 72.31 C ATOM 620 CD1 LEU A 41 -11.628 -7.252 -12.192 1.00 25.01 C ATOM 621 CD2 LEU A 41 -10.848 -6.758 -9.867 1.00 43.54 C ATOM 0 H LEU A 41 -15.525 -5.651 -10.164 1.00 63.11 H new ATOM 0 HA LEU A 41 -14.123 -6.495 -12.387 1.00 22.42 H new ATOM 0 HB2 LEU A 41 -13.117 -5.599 -10.339 1.00 55.21 H new ATOM 0 HB3 LEU A 41 -13.637 -7.005 -9.432 1.00 55.21 H new ATOM 0 HG LEU A 41 -12.053 -8.415 -10.457 1.00 72.31 H new ATOM 0 HD11 LEU A 41 -10.677 -7.747 -12.388 1.00 25.01 H new ATOM 0 HD12 LEU A 41 -12.413 -7.731 -12.777 1.00 25.01 H new ATOM 0 HD13 LEU A 41 -11.555 -6.202 -12.474 1.00 25.01 H new ATOM 0 HD21 LEU A 41 -9.907 -7.259 -10.095 1.00 43.54 H new ATOM 0 HD22 LEU A 41 -10.756 -5.695 -10.090 1.00 43.54 H new ATOM 0 HD23 LEU A 41 -11.082 -6.889 -8.811 1.00 43.54 H new ATOM 633 N GLY A 42 -15.356 -9.003 -10.636 1.00 34.44 N ATOM 634 CA GLY A 42 -15.642 -10.425 -10.700 1.00 4.22 C ATOM 635 C GLY A 42 -16.532 -10.785 -11.872 1.00 74.11 C ATOM 636 O GLY A 42 -16.474 -11.902 -12.386 1.00 63.23 O ATOM 0 H GLY A 42 -15.734 -8.526 -9.817 1.00 34.44 H new ATOM 0 HA2 GLY A 42 -14.706 -10.978 -10.776 1.00 4.22 H new ATOM 0 HA3 GLY A 42 -16.123 -10.738 -9.773 1.00 4.22 H new ATOM 640 N LYS A 43 -17.362 -9.838 -12.296 1.00 1.51 N ATOM 641 CA LYS A 43 -18.270 -10.059 -13.415 1.00 21.40 C ATOM 642 C LYS A 43 -17.500 -10.171 -14.727 1.00 23.42 C ATOM 643 O LYS A 43 -17.682 -11.123 -15.486 1.00 24.53 O ATOM 644 CB LYS A 43 -19.289 -8.921 -13.505 1.00 62.01 C ATOM 645 CG LYS A 43 -20.683 -9.316 -13.051 1.00 55.40 C ATOM 646 CD LYS A 43 -21.745 -8.419 -13.666 1.00 3.53 C ATOM 647 CE LYS A 43 -23.043 -8.470 -12.876 1.00 15.43 C ATOM 648 NZ LYS A 43 -23.858 -9.667 -13.224 1.00 40.53 N ATOM 0 H LYS A 43 -17.424 -8.909 -11.881 1.00 1.51 H new ATOM 0 HA LYS A 43 -18.797 -10.997 -13.242 1.00 21.40 H new ATOM 0 HB2 LYS A 43 -18.942 -8.085 -12.898 1.00 62.01 H new ATOM 0 HB3 LYS A 43 -19.338 -8.569 -14.535 1.00 62.01 H new ATOM 0 HG2 LYS A 43 -20.877 -10.353 -13.327 1.00 55.40 H new ATOM 0 HG3 LYS A 43 -20.742 -9.259 -11.964 1.00 55.40 H new ATOM 0 HD2 LYS A 43 -21.380 -7.393 -13.702 1.00 3.53 H new ATOM 0 HD3 LYS A 43 -21.932 -8.727 -14.695 1.00 3.53 H new ATOM 0 HE2 LYS A 43 -22.819 -8.481 -11.809 1.00 15.43 H new ATOM 0 HE3 LYS A 43 -23.622 -7.567 -13.071 1.00 15.43 H new ATOM 0 HZ1 LYS A 43 -24.734 -9.665 -12.664 1.00 40.53 H new ATOM 0 HZ2 LYS A 43 -24.094 -9.644 -14.237 1.00 40.53 H new ATOM 0 HZ3 LYS A 43 -23.315 -10.529 -13.015 1.00 40.53 H new ATOM 662 N VAL A 44 -16.638 -9.194 -14.987 1.00 44.50 N ATOM 663 CA VAL A 44 -15.838 -9.184 -16.206 1.00 4.11 C ATOM 664 C VAL A 44 -15.086 -10.499 -16.380 1.00 43.41 C ATOM 665 O VAL A 44 -14.784 -10.909 -17.500 1.00 42.13 O ATOM 666 CB VAL A 44 -14.826 -8.023 -16.204 1.00 3.20 C ATOM 667 CG1 VAL A 44 -13.978 -8.051 -17.467 1.00 11.13 C ATOM 668 CG2 VAL A 44 -15.545 -6.690 -16.065 1.00 12.25 C ATOM 0 H VAL A 44 -16.475 -8.399 -14.370 1.00 44.50 H new ATOM 0 HA VAL A 44 -16.530 -9.051 -17.038 1.00 4.11 H new ATOM 0 HB VAL A 44 -14.163 -8.144 -15.347 1.00 3.20 H new ATOM 0 HG11 VAL A 44 -13.269 -7.223 -17.448 1.00 11.13 H new ATOM 0 HG12 VAL A 44 -13.434 -8.994 -17.519 1.00 11.13 H new ATOM 0 HG13 VAL A 44 -14.623 -7.956 -18.341 1.00 11.13 H new ATOM 0 HG21 VAL A 44 -14.815 -5.881 -16.065 1.00 12.25 H new ATOM 0 HG22 VAL A 44 -16.233 -6.559 -16.901 1.00 12.25 H new ATOM 0 HG23 VAL A 44 -16.104 -6.674 -15.129 1.00 12.25 H new ATOM 678 N MET A 45 -14.787 -11.155 -15.264 1.00 23.20 N ATOM 679 CA MET A 45 -14.071 -12.426 -15.294 1.00 11.45 C ATOM 680 C MET A 45 -14.736 -13.402 -16.259 1.00 12.23 C ATOM 681 O MET A 45 -14.062 -14.193 -16.919 1.00 11.24 O ATOM 682 CB MET A 45 -14.013 -13.036 -13.892 1.00 14.33 C ATOM 683 CG MET A 45 -13.518 -12.069 -12.828 1.00 72.02 C ATOM 684 SD MET A 45 -11.933 -11.322 -13.253 1.00 11.14 S ATOM 685 CE MET A 45 -11.040 -12.748 -13.866 1.00 21.22 C ATOM 0 H MET A 45 -15.029 -10.829 -14.328 1.00 23.20 H new ATOM 0 HA MET A 45 -13.056 -12.235 -15.641 1.00 11.45 H new ATOM 0 HB2 MET A 45 -15.007 -13.388 -13.617 1.00 14.33 H new ATOM 0 HB3 MET A 45 -13.359 -13.908 -13.911 1.00 14.33 H new ATOM 0 HG2 MET A 45 -14.259 -11.283 -12.684 1.00 72.02 H new ATOM 0 HG3 MET A 45 -13.424 -12.596 -11.879 1.00 72.02 H new ATOM 0 HE1 MET A 45 -10.001 -12.474 -14.052 1.00 21.22 H new ATOM 0 HE2 MET A 45 -11.078 -13.547 -13.125 1.00 21.22 H new ATOM 0 HE3 MET A 45 -11.497 -13.092 -14.794 1.00 21.22 H new ATOM 695 N ARG A 46 -16.062 -13.341 -16.335 1.00 44.23 N ATOM 696 CA ARG A 46 -16.817 -14.221 -17.219 1.00 11.23 C ATOM 697 C ARG A 46 -16.389 -14.032 -18.671 1.00 4.51 C ATOM 698 O ARG A 46 -16.362 -14.984 -19.449 1.00 63.25 O ATOM 699 CB ARG A 46 -18.317 -13.953 -17.079 1.00 62.32 C ATOM 700 CG ARG A 46 -18.761 -12.638 -17.699 1.00 32.50 C ATOM 701 CD ARG A 46 -19.969 -12.062 -16.977 1.00 30.32 C ATOM 702 NE ARG A 46 -20.058 -10.613 -17.129 1.00 5.50 N ATOM 703 CZ ARG A 46 -21.162 -9.914 -16.889 1.00 60.52 C ATOM 704 NH1 ARG A 46 -22.265 -10.530 -16.488 1.00 33.33 N ATOM 705 NH2 ARG A 46 -21.164 -8.597 -17.051 1.00 20.45 N ATOM 0 H ARG A 46 -16.635 -12.692 -15.796 1.00 44.23 H new ATOM 0 HA ARG A 46 -16.609 -15.251 -16.929 1.00 11.23 H new ATOM 0 HB2 ARG A 46 -18.868 -14.769 -17.545 1.00 62.32 H new ATOM 0 HB3 ARG A 46 -18.580 -13.954 -16.021 1.00 62.32 H new ATOM 0 HG2 ARG A 46 -17.940 -11.922 -17.664 1.00 32.50 H new ATOM 0 HG3 ARG A 46 -19.004 -12.794 -18.750 1.00 32.50 H new ATOM 0 HD2 ARG A 46 -20.877 -12.524 -17.365 1.00 30.32 H new ATOM 0 HD3 ARG A 46 -19.912 -12.312 -15.918 1.00 30.32 H new ATOM 0 HE ARG A 46 -19.226 -10.109 -17.437 1.00 5.50 H new ATOM 0 HH11 ARG A 46 -22.267 -11.542 -16.363 1.00 33.33 H new ATOM 0 HH12 ARG A 46 -23.112 -9.992 -16.304 1.00 33.33 H new ATOM 0 HH21 ARG A 46 -20.317 -8.120 -17.360 1.00 20.45 H new ATOM 0 HH22 ARG A 46 -22.012 -8.062 -16.866 1.00 20.45 H new ATOM 719 N MET A 47 -16.055 -12.796 -19.028 1.00 11.52 N ATOM 720 CA MET A 47 -15.628 -12.482 -20.386 1.00 44.23 C ATOM 721 C MET A 47 -14.287 -13.139 -20.700 1.00 35.50 C ATOM 722 O MET A 47 -14.070 -13.630 -21.809 1.00 22.45 O ATOM 723 CB MET A 47 -15.522 -10.967 -20.574 1.00 22.15 C ATOM 724 CG MET A 47 -16.847 -10.241 -20.413 1.00 15.24 C ATOM 725 SD MET A 47 -17.907 -10.400 -21.863 1.00 11.12 S ATOM 726 CE MET A 47 -18.557 -8.736 -21.992 1.00 2.24 C ATOM 0 H MET A 47 -16.072 -11.996 -18.396 1.00 11.52 H new ATOM 0 HA MET A 47 -16.376 -12.875 -21.075 1.00 44.23 H new ATOM 0 HB2 MET A 47 -14.809 -10.569 -19.852 1.00 22.15 H new ATOM 0 HB3 MET A 47 -15.121 -10.759 -21.566 1.00 22.15 H new ATOM 0 HG2 MET A 47 -17.369 -10.635 -19.541 1.00 15.24 H new ATOM 0 HG3 MET A 47 -16.657 -9.185 -20.221 1.00 15.24 H new ATOM 0 HE1 MET A 47 -19.232 -8.674 -22.845 1.00 2.24 H new ATOM 0 HE2 MET A 47 -19.100 -8.486 -21.081 1.00 2.24 H new ATOM 0 HE3 MET A 47 -17.735 -8.034 -22.129 1.00 2.24 H new ATOM 736 N LEU A 48 -13.392 -13.146 -19.718 1.00 55.44 N ATOM 737 CA LEU A 48 -12.073 -13.743 -19.890 1.00 22.20 C ATOM 738 C LEU A 48 -12.172 -15.261 -19.999 1.00 74.33 C ATOM 739 O LEU A 48 -11.306 -15.910 -20.583 1.00 65.12 O ATOM 740 CB LEU A 48 -11.163 -13.363 -18.720 1.00 72.32 C ATOM 741 CG LEU A 48 -11.298 -11.931 -18.203 1.00 42.41 C ATOM 742 CD1 LEU A 48 -10.258 -11.651 -17.129 1.00 34.02 C ATOM 743 CD2 LEU A 48 -11.166 -10.936 -19.347 1.00 61.02 C ATOM 0 H LEU A 48 -13.556 -12.745 -18.795 1.00 55.44 H new ATOM 0 HA LEU A 48 -11.645 -13.358 -20.816 1.00 22.20 H new ATOM 0 HB2 LEU A 48 -11.362 -14.046 -17.894 1.00 72.32 H new ATOM 0 HB3 LEU A 48 -10.128 -13.522 -19.024 1.00 72.32 H new ATOM 0 HG LEU A 48 -12.288 -11.817 -17.761 1.00 42.41 H new ATOM 0 HD11 LEU A 48 -10.369 -10.627 -16.773 1.00 34.02 H new ATOM 0 HD12 LEU A 48 -10.399 -12.342 -16.298 1.00 34.02 H new ATOM 0 HD13 LEU A 48 -9.260 -11.784 -17.546 1.00 34.02 H new ATOM 0 HD21 LEU A 48 -11.265 -9.922 -18.960 1.00 61.02 H new ATOM 0 HD22 LEU A 48 -10.190 -11.051 -19.819 1.00 61.02 H new ATOM 0 HD23 LEU A 48 -11.949 -11.122 -20.083 1.00 61.02 H new ATOM 755 N GLY A 49 -13.238 -15.822 -19.435 1.00 1.34 N ATOM 756 CA GLY A 49 -13.433 -17.259 -19.482 1.00 24.05 C ATOM 757 C GLY A 49 -13.272 -17.911 -18.122 1.00 50.53 C ATOM 758 O GLY A 49 -13.115 -19.127 -18.026 1.00 25.23 O ATOM 0 H GLY A 49 -13.970 -15.306 -18.946 1.00 1.34 H new ATOM 0 HA2 GLY A 49 -14.429 -17.475 -19.869 1.00 24.05 H new ATOM 0 HA3 GLY A 49 -12.718 -17.697 -20.178 1.00 24.05 H new ATOM 762 N GLN A 50 -13.310 -17.099 -17.071 1.00 13.15 N ATOM 763 CA GLN A 50 -13.165 -17.604 -15.711 1.00 34.45 C ATOM 764 C GLN A 50 -14.237 -17.021 -14.796 1.00 35.31 C ATOM 765 O GLN A 50 -14.680 -15.889 -14.986 1.00 30.25 O ATOM 766 CB GLN A 50 -11.776 -17.270 -15.165 1.00 61.11 C ATOM 767 CG GLN A 50 -10.646 -17.948 -15.923 1.00 23.05 C ATOM 768 CD GLN A 50 -9.279 -17.599 -15.367 1.00 50.32 C ATOM 769 OE1 GLN A 50 -8.362 -17.255 -16.114 1.00 31.03 O ATOM 770 NE2 GLN A 50 -9.135 -17.685 -14.050 1.00 14.42 N ATOM 0 H GLN A 50 -13.440 -16.089 -17.135 1.00 13.15 H new ATOM 0 HA GLN A 50 -13.286 -18.687 -15.739 1.00 34.45 H new ATOM 0 HB2 GLN A 50 -11.630 -16.190 -15.201 1.00 61.11 H new ATOM 0 HB3 GLN A 50 -11.727 -17.563 -14.116 1.00 61.11 H new ATOM 0 HG2 GLN A 50 -10.785 -19.028 -15.885 1.00 23.05 H new ATOM 0 HG3 GLN A 50 -10.692 -17.658 -16.973 1.00 23.05 H new ATOM 0 HE21 GLN A 50 -9.922 -17.974 -13.469 1.00 14.42 H new ATOM 0 HE22 GLN A 50 -8.238 -17.462 -13.619 1.00 14.42 H new ATOM 779 N ASN A 51 -14.651 -17.803 -13.804 1.00 1.14 N ATOM 780 CA ASN A 51 -15.672 -17.364 -12.860 1.00 33.13 C ATOM 781 C ASN A 51 -15.314 -17.782 -11.437 1.00 22.21 C ATOM 782 O ASN A 51 -15.985 -18.608 -10.818 1.00 72.33 O ATOM 783 CB ASN A 51 -17.035 -17.943 -13.245 1.00 51.13 C ATOM 784 CG ASN A 51 -16.930 -19.352 -13.796 1.00 41.23 C ATOM 785 OD1 ASN A 51 -16.892 -19.554 -15.010 1.00 64.30 O ATOM 786 ND2 ASN A 51 -16.883 -20.334 -12.904 1.00 10.02 N ATOM 0 H ASN A 51 -14.295 -18.744 -13.633 1.00 1.14 H new ATOM 0 HA ASN A 51 -15.722 -16.276 -12.898 1.00 33.13 H new ATOM 0 HB2 ASN A 51 -17.686 -17.945 -12.371 1.00 51.13 H new ATOM 0 HB3 ASN A 51 -17.503 -17.299 -13.989 1.00 51.13 H new ATOM 0 HD21 ASN A 51 -16.812 -21.303 -13.215 1.00 10.02 H new ATOM 0 HD22 ASN A 51 -16.917 -20.120 -11.907 1.00 10.02 H new ATOM 793 N PRO A 52 -14.230 -17.199 -10.904 1.00 12.51 N ATOM 794 CA PRO A 52 -13.758 -17.494 -9.548 1.00 13.32 C ATOM 795 C PRO A 52 -14.698 -16.952 -8.476 1.00 51.22 C ATOM 796 O PRO A 52 -15.813 -16.521 -8.773 1.00 1.40 O ATOM 797 CB PRO A 52 -12.404 -16.783 -9.481 1.00 13.12 C ATOM 798 CG PRO A 52 -12.504 -15.683 -10.481 1.00 21.22 C ATOM 799 CD PRO A 52 -13.382 -16.205 -11.584 1.00 14.10 C ATOM 0 HA PRO A 52 -13.702 -18.566 -9.361 1.00 13.32 H new ATOM 0 HB2 PRO A 52 -12.211 -16.393 -8.482 1.00 13.12 H new ATOM 0 HB3 PRO A 52 -11.587 -17.464 -9.721 1.00 13.12 H new ATOM 0 HG2 PRO A 52 -12.932 -14.786 -10.033 1.00 21.22 H new ATOM 0 HG3 PRO A 52 -11.520 -15.411 -10.862 1.00 21.22 H new ATOM 0 HD2 PRO A 52 -13.977 -15.410 -12.034 1.00 14.10 H new ATOM 0 HD3 PRO A 52 -12.796 -16.657 -12.384 1.00 14.10 H new ATOM 807 N THR A 53 -14.241 -16.976 -7.228 1.00 14.32 N ATOM 808 CA THR A 53 -15.041 -16.487 -6.112 1.00 35.42 C ATOM 809 C THR A 53 -14.862 -14.985 -5.923 1.00 32.55 C ATOM 810 O THR A 53 -13.774 -14.438 -6.101 1.00 62.42 O ATOM 811 CB THR A 53 -14.674 -17.206 -4.800 1.00 62.21 C ATOM 812 OG1 THR A 53 -15.601 -16.849 -3.769 1.00 2.50 O ATOM 813 CG2 THR A 53 -13.261 -16.849 -4.365 1.00 4.31 C ATOM 0 H THR A 53 -13.321 -17.329 -6.965 1.00 14.32 H new ATOM 0 HA THR A 53 -16.083 -16.698 -6.354 1.00 35.42 H new ATOM 0 HB THR A 53 -14.723 -18.281 -4.975 1.00 62.21 H new ATOM 0 HG1 THR A 53 -15.573 -17.522 -3.057 1.00 2.50 H new ATOM 0 HG21 THR A 53 -13.024 -17.368 -3.436 1.00 4.31 H new ATOM 0 HG22 THR A 53 -12.555 -17.150 -5.139 1.00 4.31 H new ATOM 0 HG23 THR A 53 -13.190 -15.773 -4.207 1.00 4.31 H new ATOM 821 N PRO A 54 -15.954 -14.301 -5.551 1.00 51.53 N ATOM 822 CA PRO A 54 -15.942 -12.852 -5.328 1.00 41.34 C ATOM 823 C PRO A 54 -15.155 -12.464 -4.081 1.00 43.34 C ATOM 824 O PRO A 54 -14.381 -11.507 -4.098 1.00 63.33 O ATOM 825 CB PRO A 54 -17.423 -12.507 -5.154 1.00 71.14 C ATOM 826 CG PRO A 54 -18.051 -13.769 -4.672 1.00 14.34 C ATOM 827 CD PRO A 54 -17.285 -14.888 -5.320 1.00 45.22 C ATOM 0 HA PRO A 54 -15.459 -12.318 -6.147 1.00 41.34 H new ATOM 0 HB2 PRO A 54 -17.559 -11.698 -4.437 1.00 71.14 H new ATOM 0 HB3 PRO A 54 -17.866 -12.178 -6.094 1.00 71.14 H new ATOM 0 HG2 PRO A 54 -18.000 -13.840 -3.585 1.00 14.34 H new ATOM 0 HG3 PRO A 54 -19.105 -13.809 -4.945 1.00 14.34 H new ATOM 0 HD2 PRO A 54 -17.231 -15.765 -4.675 1.00 45.22 H new ATOM 0 HD3 PRO A 54 -17.751 -15.207 -6.252 1.00 45.22 H new ATOM 835 N GLU A 55 -15.358 -13.213 -3.002 1.00 43.40 N ATOM 836 CA GLU A 55 -14.666 -12.945 -1.746 1.00 71.24 C ATOM 837 C GLU A 55 -13.158 -12.866 -1.962 1.00 45.35 C ATOM 838 O GLU A 55 -12.453 -12.165 -1.237 1.00 21.13 O ATOM 839 CB GLU A 55 -14.989 -14.032 -0.719 1.00 64.52 C ATOM 840 CG GLU A 55 -15.017 -15.434 -1.305 1.00 72.11 C ATOM 841 CD GLU A 55 -15.031 -16.512 -0.239 1.00 34.03 C ATOM 842 OE1 GLU A 55 -16.127 -16.834 0.265 1.00 33.53 O ATOM 843 OE2 GLU A 55 -13.945 -17.033 0.092 1.00 75.24 O ATOM 0 H GLU A 55 -15.995 -14.009 -2.972 1.00 43.40 H new ATOM 0 HA GLU A 55 -15.012 -11.983 -1.368 1.00 71.24 H new ATOM 0 HB2 GLU A 55 -14.249 -13.996 0.080 1.00 64.52 H new ATOM 0 HB3 GLU A 55 -15.957 -13.817 -0.267 1.00 64.52 H new ATOM 0 HG2 GLU A 55 -15.898 -15.542 -1.937 1.00 72.11 H new ATOM 0 HG3 GLU A 55 -14.146 -15.573 -1.946 1.00 72.11 H new ATOM 850 N GLU A 56 -12.670 -13.590 -2.965 1.00 52.54 N ATOM 851 CA GLU A 56 -11.246 -13.602 -3.276 1.00 5.21 C ATOM 852 C GLU A 56 -10.794 -12.247 -3.814 1.00 33.00 C ATOM 853 O GLU A 56 -9.783 -11.697 -3.375 1.00 32.22 O ATOM 854 CB GLU A 56 -10.933 -14.698 -4.297 1.00 22.14 C ATOM 855 CG GLU A 56 -9.530 -14.610 -4.873 1.00 61.44 C ATOM 856 CD GLU A 56 -8.783 -15.928 -4.793 1.00 42.55 C ATOM 857 OE1 GLU A 56 -8.844 -16.580 -3.730 1.00 51.02 O ATOM 858 OE2 GLU A 56 -8.137 -16.306 -5.793 1.00 52.31 O ATOM 0 H GLU A 56 -13.240 -14.175 -3.575 1.00 52.54 H new ATOM 0 HA GLU A 56 -10.702 -13.807 -2.354 1.00 5.21 H new ATOM 0 HB2 GLU A 56 -11.062 -15.671 -3.824 1.00 22.14 H new ATOM 0 HB3 GLU A 56 -11.655 -14.641 -5.111 1.00 22.14 H new ATOM 0 HG2 GLU A 56 -9.588 -14.292 -5.914 1.00 61.44 H new ATOM 0 HG3 GLU A 56 -8.968 -13.845 -4.337 1.00 61.44 H new ATOM 865 N LEU A 57 -11.550 -11.714 -4.768 1.00 33.43 N ATOM 866 CA LEU A 57 -11.229 -10.424 -5.367 1.00 50.13 C ATOM 867 C LEU A 57 -11.031 -9.359 -4.294 1.00 14.43 C ATOM 868 O LEU A 57 -9.989 -8.706 -4.238 1.00 73.43 O ATOM 869 CB LEU A 57 -12.339 -9.996 -6.329 1.00 11.43 C ATOM 870 CG LEU A 57 -12.343 -10.679 -7.697 1.00 11.04 C ATOM 871 CD1 LEU A 57 -12.841 -12.111 -7.577 1.00 15.35 C ATOM 872 CD2 LEU A 57 -13.198 -9.895 -8.682 1.00 32.43 C ATOM 0 H LEU A 57 -12.389 -12.156 -5.143 1.00 33.43 H new ATOM 0 HA LEU A 57 -10.297 -10.531 -5.922 1.00 50.13 H new ATOM 0 HB2 LEU A 57 -13.300 -10.183 -5.849 1.00 11.43 H new ATOM 0 HB3 LEU A 57 -12.264 -8.920 -6.483 1.00 11.43 H new ATOM 0 HG LEU A 57 -11.320 -10.702 -8.073 1.00 11.04 H new ATOM 0 HD11 LEU A 57 -12.837 -12.581 -8.560 1.00 15.35 H new ATOM 0 HD12 LEU A 57 -12.188 -12.668 -6.906 1.00 15.35 H new ATOM 0 HD13 LEU A 57 -13.856 -12.111 -7.179 1.00 15.35 H new ATOM 0 HD21 LEU A 57 -13.189 -10.396 -9.650 1.00 32.43 H new ATOM 0 HD22 LEU A 57 -14.222 -9.839 -8.311 1.00 32.43 H new ATOM 0 HD23 LEU A 57 -12.796 -8.888 -8.791 1.00 32.43 H new ATOM 884 N GLN A 58 -12.038 -9.190 -3.442 1.00 61.22 N ATOM 885 CA GLN A 58 -11.973 -8.205 -2.369 1.00 73.01 C ATOM 886 C GLN A 58 -10.816 -8.506 -1.423 1.00 30.25 C ATOM 887 O GLN A 58 -10.290 -7.609 -0.765 1.00 53.44 O ATOM 888 CB GLN A 58 -13.290 -8.180 -1.592 1.00 13.44 C ATOM 889 CG GLN A 58 -13.215 -7.394 -0.292 1.00 63.22 C ATOM 890 CD GLN A 58 -12.909 -5.926 -0.515 1.00 33.14 C ATOM 891 OE1 GLN A 58 -11.801 -5.460 0.048 1.00 22.24 O flip ATOM 892 NE2 GLN A 58 -13.662 -5.218 -1.185 1.00 5.10 N flip ATOM 0 H GLN A 58 -12.908 -9.722 -3.474 1.00 61.22 H new ATOM 0 HA GLN A 58 -11.805 -7.226 -2.818 1.00 73.01 H new ATOM 0 HB2 GLN A 58 -14.067 -7.748 -2.223 1.00 13.44 H new ATOM 0 HB3 GLN A 58 -13.591 -9.204 -1.371 1.00 13.44 H new ATOM 0 HG2 GLN A 58 -14.162 -7.487 0.240 1.00 63.22 H new ATOM 0 HG3 GLN A 58 -12.446 -7.829 0.347 1.00 63.22 H new ATOM 0 HE21 GLN A 58 -14.504 -5.618 -1.600 1.00 5.10 H new ATOM 0 HE22 GLN A 58 -13.444 -4.231 -1.325 1.00 5.10 H new ATOM 901 N GLU A 59 -10.425 -9.775 -1.359 1.00 31.35 N ATOM 902 CA GLU A 59 -9.331 -10.194 -0.491 1.00 5.22 C ATOM 903 C GLU A 59 -8.029 -9.501 -0.884 1.00 50.10 C ATOM 904 O GLU A 59 -7.386 -8.851 -0.060 1.00 31.30 O ATOM 905 CB GLU A 59 -9.152 -11.712 -0.554 1.00 70.22 C ATOM 906 CG GLU A 59 -8.523 -12.304 0.696 1.00 13.22 C ATOM 907 CD GLU A 59 -8.917 -13.751 0.918 1.00 21.31 C ATOM 908 OE1 GLU A 59 -10.035 -14.131 0.513 1.00 32.43 O ATOM 909 OE2 GLU A 59 -8.105 -14.504 1.497 1.00 54.02 O ATOM 0 H GLU A 59 -10.849 -10.530 -1.898 1.00 31.35 H new ATOM 0 HA GLU A 59 -9.582 -9.907 0.530 1.00 5.22 H new ATOM 0 HB2 GLU A 59 -10.124 -12.177 -0.716 1.00 70.22 H new ATOM 0 HB3 GLU A 59 -8.532 -11.961 -1.415 1.00 70.22 H new ATOM 0 HG2 GLU A 59 -7.438 -12.234 0.620 1.00 13.22 H new ATOM 0 HG3 GLU A 59 -8.820 -11.713 1.562 1.00 13.22 H new ATOM 916 N MET A 60 -7.647 -9.645 -2.149 1.00 34.32 N ATOM 917 CA MET A 60 -6.423 -9.033 -2.652 1.00 32.01 C ATOM 918 C MET A 60 -6.574 -7.518 -2.751 1.00 23.34 C ATOM 919 O MET A 60 -5.628 -6.773 -2.491 1.00 72.30 O ATOM 920 CB MET A 60 -6.064 -9.612 -4.022 1.00 2.22 C ATOM 921 CG MET A 60 -7.173 -9.471 -5.051 1.00 52.52 C ATOM 922 SD MET A 60 -6.714 -10.135 -6.663 1.00 45.33 S ATOM 923 CE MET A 60 -6.969 -8.701 -7.706 1.00 5.44 C ATOM 0 H MET A 60 -8.168 -10.180 -2.844 1.00 34.32 H new ATOM 0 HA MET A 60 -5.620 -9.255 -1.950 1.00 32.01 H new ATOM 0 HB2 MET A 60 -5.169 -9.114 -4.394 1.00 2.22 H new ATOM 0 HB3 MET A 60 -5.818 -10.668 -3.908 1.00 2.22 H new ATOM 0 HG2 MET A 60 -8.064 -9.985 -4.691 1.00 52.52 H new ATOM 0 HG3 MET A 60 -7.433 -8.418 -5.157 1.00 52.52 H new ATOM 0 HE1 MET A 60 -6.726 -8.954 -8.738 1.00 5.44 H new ATOM 0 HE2 MET A 60 -8.011 -8.387 -7.645 1.00 5.44 H new ATOM 0 HE3 MET A 60 -6.325 -7.888 -7.371 1.00 5.44 H new ATOM 933 N ILE A 61 -7.767 -7.070 -3.127 1.00 25.00 N ATOM 934 CA ILE A 61 -8.040 -5.644 -3.259 1.00 25.32 C ATOM 935 C ILE A 61 -7.957 -4.942 -1.908 1.00 12.41 C ATOM 936 O ILE A 61 -7.708 -3.738 -1.837 1.00 15.01 O ATOM 937 CB ILE A 61 -9.429 -5.392 -3.872 1.00 53.54 C ATOM 938 CG1 ILE A 61 -9.457 -5.847 -5.333 1.00 23.33 C ATOM 939 CG2 ILE A 61 -9.796 -3.919 -3.764 1.00 51.05 C ATOM 940 CD1 ILE A 61 -10.811 -5.693 -5.989 1.00 1.33 C ATOM 0 H ILE A 61 -8.560 -7.674 -3.346 1.00 25.00 H new ATOM 0 HA ILE A 61 -7.279 -5.236 -3.925 1.00 25.32 H new ATOM 0 HB ILE A 61 -10.165 -5.972 -3.316 1.00 53.54 H new ATOM 0 HG12 ILE A 61 -8.722 -5.274 -5.898 1.00 23.33 H new ATOM 0 HG13 ILE A 61 -9.154 -6.893 -5.385 1.00 23.33 H new ATOM 0 HG21 ILE A 61 -10.781 -3.756 -4.202 1.00 51.05 H new ATOM 0 HG22 ILE A 61 -9.812 -3.624 -2.715 1.00 51.05 H new ATOM 0 HG23 ILE A 61 -9.058 -3.320 -4.298 1.00 51.05 H new ATOM 0 HD11 ILE A 61 -10.756 -6.035 -7.022 1.00 1.33 H new ATOM 0 HD12 ILE A 61 -11.547 -6.289 -5.449 1.00 1.33 H new ATOM 0 HD13 ILE A 61 -11.108 -4.644 -5.969 1.00 1.33 H new ATOM 952 N ASP A 62 -8.166 -5.702 -0.838 1.00 42.55 N ATOM 953 CA ASP A 62 -8.112 -5.153 0.512 1.00 54.24 C ATOM 954 C ASP A 62 -6.700 -4.689 0.854 1.00 11.40 C ATOM 955 O ASP A 62 -6.500 -3.562 1.307 1.00 70.14 O ATOM 956 CB ASP A 62 -8.580 -6.196 1.528 1.00 53.31 C ATOM 957 CG ASP A 62 -8.859 -5.592 2.890 1.00 15.12 C ATOM 958 OD1 ASP A 62 -9.954 -5.018 3.071 1.00 24.35 O ATOM 959 OD2 ASP A 62 -7.983 -5.692 3.775 1.00 75.31 O ATOM 0 H ASP A 62 -8.374 -6.700 -0.880 1.00 42.55 H new ATOM 0 HA ASP A 62 -8.778 -4.291 0.554 1.00 54.24 H new ATOM 0 HB2 ASP A 62 -9.483 -6.681 1.157 1.00 53.31 H new ATOM 0 HB3 ASP A 62 -7.819 -6.971 1.626 1.00 53.31 H new ATOM 964 N GLU A 63 -5.725 -5.565 0.635 1.00 31.55 N ATOM 965 CA GLU A 63 -4.332 -5.245 0.923 1.00 21.11 C ATOM 966 C GLU A 63 -3.787 -4.234 -0.082 1.00 74.32 C ATOM 967 O GLU A 63 -2.820 -3.526 0.195 1.00 3.42 O ATOM 968 CB GLU A 63 -3.478 -6.515 0.900 1.00 52.41 C ATOM 969 CG GLU A 63 -2.859 -6.856 2.245 1.00 65.15 C ATOM 970 CD GLU A 63 -1.581 -7.662 2.110 1.00 2.34 C ATOM 971 OE1 GLU A 63 -0.643 -7.181 1.440 1.00 33.03 O ATOM 972 OE2 GLU A 63 -1.519 -8.773 2.676 1.00 20.34 O ATOM 0 H GLU A 63 -5.874 -6.502 0.259 1.00 31.55 H new ATOM 0 HA GLU A 63 -4.286 -4.803 1.918 1.00 21.11 H new ATOM 0 HB2 GLU A 63 -4.094 -7.351 0.571 1.00 52.41 H new ATOM 0 HB3 GLU A 63 -2.683 -6.395 0.164 1.00 52.41 H new ATOM 0 HG2 GLU A 63 -2.648 -5.935 2.788 1.00 65.15 H new ATOM 0 HG3 GLU A 63 -3.578 -7.419 2.840 1.00 65.15 H new ATOM 979 N VAL A 64 -4.416 -4.174 -1.252 1.00 31.41 N ATOM 980 CA VAL A 64 -3.996 -3.251 -2.299 1.00 40.01 C ATOM 981 C VAL A 64 -4.540 -1.849 -2.047 1.00 33.52 C ATOM 982 O VAL A 64 -3.808 -0.863 -2.131 1.00 22.51 O ATOM 983 CB VAL A 64 -4.461 -3.728 -3.688 1.00 31.12 C ATOM 984 CG1 VAL A 64 -4.107 -2.701 -4.752 1.00 5.21 C ATOM 985 CG2 VAL A 64 -3.851 -5.082 -4.018 1.00 4.15 C ATOM 0 H VAL A 64 -5.218 -4.754 -1.498 1.00 31.41 H new ATOM 0 HA VAL A 64 -2.907 -3.224 -2.278 1.00 40.01 H new ATOM 0 HB VAL A 64 -5.545 -3.838 -3.671 1.00 31.12 H new ATOM 0 HG11 VAL A 64 -4.443 -3.056 -5.726 1.00 5.21 H new ATOM 0 HG12 VAL A 64 -4.596 -1.755 -4.521 1.00 5.21 H new ATOM 0 HG13 VAL A 64 -3.027 -2.555 -4.772 1.00 5.21 H new ATOM 0 HG21 VAL A 64 -4.190 -5.404 -5.003 1.00 4.15 H new ATOM 0 HG22 VAL A 64 -2.764 -5.001 -4.017 1.00 4.15 H new ATOM 0 HG23 VAL A 64 -4.161 -5.813 -3.271 1.00 4.15 H new ATOM 995 N ASP A 65 -5.829 -1.769 -1.737 1.00 14.53 N ATOM 996 CA ASP A 65 -6.473 -0.487 -1.470 1.00 23.21 C ATOM 997 C ASP A 65 -5.876 0.173 -0.231 1.00 42.11 C ATOM 998 O ASP A 65 -6.226 -0.172 0.897 1.00 52.11 O ATOM 999 CB ASP A 65 -7.979 -0.677 -1.286 1.00 72.21 C ATOM 1000 CG ASP A 65 -8.750 0.619 -1.443 1.00 5.12 C ATOM 1001 OD1 ASP A 65 -8.129 1.697 -1.323 1.00 32.42 O ATOM 1002 OD2 ASP A 65 -9.973 0.556 -1.686 1.00 45.23 O ATOM 0 H ASP A 65 -6.449 -2.576 -1.664 1.00 14.53 H new ATOM 0 HA ASP A 65 -6.299 0.164 -2.326 1.00 23.21 H new ATOM 0 HB2 ASP A 65 -8.342 -1.403 -2.014 1.00 72.21 H new ATOM 0 HB3 ASP A 65 -8.172 -1.093 -0.297 1.00 72.21 H new ATOM 1007 N GLU A 66 -4.972 1.123 -0.450 1.00 60.02 N ATOM 1008 CA GLU A 66 -4.326 1.830 0.649 1.00 25.33 C ATOM 1009 C GLU A 66 -5.313 2.751 1.360 1.00 73.15 C ATOM 1010 O GLU A 66 -5.161 3.047 2.545 1.00 65.23 O ATOM 1011 CB GLU A 66 -3.135 2.641 0.134 1.00 60.14 C ATOM 1012 CG GLU A 66 -3.509 3.664 -0.926 1.00 3.03 C ATOM 1013 CD GLU A 66 -2.364 4.600 -1.262 1.00 70.25 C ATOM 1014 OE1 GLU A 66 -1.755 5.154 -0.323 1.00 33.41 O ATOM 1015 OE2 GLU A 66 -2.077 4.779 -2.464 1.00 71.45 O ATOM 0 H GLU A 66 -4.671 1.420 -1.378 1.00 60.02 H new ATOM 0 HA GLU A 66 -3.969 1.088 1.363 1.00 25.33 H new ATOM 0 HB2 GLU A 66 -2.666 3.154 0.973 1.00 60.14 H new ATOM 0 HB3 GLU A 66 -2.392 1.958 -0.278 1.00 60.14 H new ATOM 0 HG2 GLU A 66 -3.827 3.145 -1.830 1.00 3.03 H new ATOM 0 HG3 GLU A 66 -4.361 4.248 -0.578 1.00 3.03 H new ATOM 1022 N ASP A 67 -6.325 3.201 0.626 1.00 34.12 N ATOM 1023 CA ASP A 67 -7.339 4.088 1.185 1.00 51.12 C ATOM 1024 C ASP A 67 -8.546 3.294 1.674 1.00 53.11 C ATOM 1025 O ASP A 67 -9.447 3.842 2.308 1.00 21.12 O ATOM 1026 CB ASP A 67 -7.778 5.117 0.141 1.00 32.43 C ATOM 1027 CG ASP A 67 -8.042 4.490 -1.214 1.00 34.03 C ATOM 1028 OD1 ASP A 67 -7.068 4.071 -1.873 1.00 54.11 O ATOM 1029 OD2 ASP A 67 -9.223 4.419 -1.615 1.00 51.30 O ATOM 0 H ASP A 67 -6.465 2.966 -0.357 1.00 34.12 H new ATOM 0 HA ASP A 67 -6.901 4.609 2.036 1.00 51.12 H new ATOM 0 HB2 ASP A 67 -8.681 5.620 0.488 1.00 32.43 H new ATOM 0 HB3 ASP A 67 -7.007 5.881 0.041 1.00 32.43 H new ATOM 1034 N GLY A 68 -8.558 1.999 1.373 1.00 21.12 N ATOM 1035 CA GLY A 68 -9.660 1.151 1.789 1.00 64.31 C ATOM 1036 C GLY A 68 -11.008 1.707 1.376 1.00 43.41 C ATOM 1037 O GLY A 68 -11.974 1.639 2.135 1.00 11.02 O ATOM 0 H GLY A 68 -7.824 1.522 0.849 1.00 21.12 H new ATOM 0 HA2 GLY A 68 -9.533 0.158 1.358 1.00 64.31 H new ATOM 0 HA3 GLY A 68 -9.635 1.034 2.872 1.00 64.31 H new ATOM 1041 N SER A 69 -11.073 2.262 0.170 1.00 61.45 N ATOM 1042 CA SER A 69 -12.311 2.838 -0.341 1.00 74.30 C ATOM 1043 C SER A 69 -13.318 1.744 -0.684 1.00 14.12 C ATOM 1044 O SER A 69 -14.527 1.976 -0.688 1.00 4.15 O ATOM 1045 CB SER A 69 -12.029 3.693 -1.578 1.00 31.31 C ATOM 1046 OG SER A 69 -11.228 2.989 -2.512 1.00 55.40 O ATOM 0 H SER A 69 -10.282 2.325 -0.472 1.00 61.45 H new ATOM 0 HA SER A 69 -12.737 3.469 0.438 1.00 74.30 H new ATOM 0 HB2 SER A 69 -12.970 3.983 -2.046 1.00 31.31 H new ATOM 0 HB3 SER A 69 -11.524 4.612 -1.281 1.00 31.31 H new ATOM 0 HG SER A 69 -10.282 3.184 -2.344 1.00 55.40 H new ATOM 1052 N GLY A 70 -12.810 0.550 -0.972 1.00 34.51 N ATOM 1053 CA GLY A 70 -13.678 -0.563 -1.312 1.00 41.04 C ATOM 1054 C GLY A 70 -13.682 -0.861 -2.799 1.00 23.45 C ATOM 1055 O GLY A 70 -14.519 -1.623 -3.285 1.00 44.31 O ATOM 0 H GLY A 70 -11.813 0.333 -0.976 1.00 34.51 H new ATOM 0 HA2 GLY A 70 -13.356 -1.451 -0.767 1.00 41.04 H new ATOM 0 HA3 GLY A 70 -14.694 -0.340 -0.986 1.00 41.04 H new ATOM 1059 N THR A 71 -12.744 -0.259 -3.524 1.00 74.21 N ATOM 1060 CA THR A 71 -12.645 -0.462 -4.964 1.00 4.12 C ATOM 1061 C THR A 71 -11.208 -0.291 -5.445 1.00 32.02 C ATOM 1062 O THR A 71 -10.334 0.129 -4.686 1.00 34.42 O ATOM 1063 CB THR A 71 -13.551 0.517 -5.733 1.00 75.12 C ATOM 1064 OG1 THR A 71 -13.256 1.864 -5.348 1.00 52.11 O ATOM 1065 CG2 THR A 71 -15.019 0.218 -5.467 1.00 11.11 C ATOM 0 H THR A 71 -12.043 0.373 -3.138 1.00 74.21 H new ATOM 0 HA THR A 71 -12.974 -1.482 -5.163 1.00 4.12 H new ATOM 0 HB THR A 71 -13.359 0.394 -6.799 1.00 75.12 H new ATOM 0 HG1 THR A 71 -13.835 2.480 -5.843 1.00 52.11 H new ATOM 0 HG21 THR A 71 -15.640 0.922 -6.021 1.00 11.11 H new ATOM 0 HG22 THR A 71 -15.247 -0.798 -5.789 1.00 11.11 H new ATOM 0 HG23 THR A 71 -15.223 0.315 -4.401 1.00 11.11 H new ATOM 1073 N VAL A 72 -10.970 -0.618 -6.711 1.00 71.10 N ATOM 1074 CA VAL A 72 -9.639 -0.499 -7.294 1.00 50.01 C ATOM 1075 C VAL A 72 -9.533 0.742 -8.173 1.00 10.43 C ATOM 1076 O VAL A 72 -10.374 0.974 -9.041 1.00 52.51 O ATOM 1077 CB VAL A 72 -9.280 -1.740 -8.133 1.00 35.23 C ATOM 1078 CG1 VAL A 72 -8.147 -1.424 -9.097 1.00 33.21 C ATOM 1079 CG2 VAL A 72 -8.912 -2.906 -7.228 1.00 1.15 C ATOM 0 H VAL A 72 -11.682 -0.967 -7.353 1.00 71.10 H new ATOM 0 HA VAL A 72 -8.937 -0.415 -6.464 1.00 50.01 H new ATOM 0 HB VAL A 72 -10.153 -2.026 -8.719 1.00 35.23 H new ATOM 0 HG11 VAL A 72 -7.908 -2.313 -9.681 1.00 33.21 H new ATOM 0 HG12 VAL A 72 -8.453 -0.621 -9.767 1.00 33.21 H new ATOM 0 HG13 VAL A 72 -7.267 -1.112 -8.535 1.00 33.21 H new ATOM 0 HG21 VAL A 72 -8.661 -3.774 -7.837 1.00 1.15 H new ATOM 0 HG22 VAL A 72 -8.054 -2.633 -6.614 1.00 1.15 H new ATOM 0 HG23 VAL A 72 -9.757 -3.147 -6.583 1.00 1.15 H new ATOM 1089 N ASP A 73 -8.494 1.537 -7.941 1.00 61.04 N ATOM 1090 CA ASP A 73 -8.276 2.755 -8.713 1.00 51.11 C ATOM 1091 C ASP A 73 -7.254 2.521 -9.821 1.00 3.12 C ATOM 1092 O ASP A 73 -6.829 1.390 -10.060 1.00 13.25 O ATOM 1093 CB ASP A 73 -7.805 3.887 -7.798 1.00 72.41 C ATOM 1094 CG ASP A 73 -8.723 4.089 -6.608 1.00 64.31 C ATOM 1095 OD1 ASP A 73 -9.885 3.635 -6.670 1.00 64.25 O ATOM 1096 OD2 ASP A 73 -8.278 4.700 -5.614 1.00 73.11 O ATOM 0 H ASP A 73 -7.790 1.360 -7.225 1.00 61.04 H new ATOM 0 HA ASP A 73 -9.223 3.039 -9.172 1.00 51.11 H new ATOM 0 HB2 ASP A 73 -6.798 3.668 -7.443 1.00 72.41 H new ATOM 0 HB3 ASP A 73 -7.748 4.813 -8.370 1.00 72.41 H new ATOM 1101 N PHE A 74 -6.863 3.597 -10.495 1.00 42.33 N ATOM 1102 CA PHE A 74 -5.892 3.509 -11.580 1.00 3.15 C ATOM 1103 C PHE A 74 -4.581 2.901 -11.088 1.00 13.41 C ATOM 1104 O PHE A 74 -4.029 1.998 -11.717 1.00 1.44 O ATOM 1105 CB PHE A 74 -5.633 4.895 -12.175 1.00 23.24 C ATOM 1106 CG PHE A 74 -5.487 4.888 -13.670 1.00 34.55 C ATOM 1107 CD1 PHE A 74 -4.885 3.820 -14.315 1.00 72.50 C ATOM 1108 CD2 PHE A 74 -5.953 5.948 -14.429 1.00 53.33 C ATOM 1109 CE1 PHE A 74 -4.750 3.811 -15.690 1.00 65.24 C ATOM 1110 CE2 PHE A 74 -5.821 5.945 -15.805 1.00 62.02 C ATOM 1111 CZ PHE A 74 -5.219 4.874 -16.437 1.00 0.25 C ATOM 0 H PHE A 74 -7.203 4.540 -10.309 1.00 42.33 H new ATOM 0 HA PHE A 74 -6.306 2.861 -12.353 1.00 3.15 H new ATOM 0 HB2 PHE A 74 -6.454 5.558 -11.901 1.00 23.24 H new ATOM 0 HB3 PHE A 74 -4.727 5.309 -11.731 1.00 23.24 H new ATOM 0 HD1 PHE A 74 -4.517 2.985 -13.737 1.00 72.50 H new ATOM 0 HD2 PHE A 74 -6.425 6.787 -13.940 1.00 53.33 H new ATOM 0 HE1 PHE A 74 -4.278 2.973 -16.181 1.00 65.24 H new ATOM 0 HE2 PHE A 74 -6.188 6.779 -16.385 1.00 62.02 H new ATOM 0 HZ PHE A 74 -5.115 4.868 -17.512 1.00 0.25 H new ATOM 1121 N ASP A 75 -4.090 3.404 -9.961 1.00 24.43 N ATOM 1122 CA ASP A 75 -2.844 2.911 -9.383 1.00 74.22 C ATOM 1123 C ASP A 75 -2.987 1.457 -8.944 1.00 33.03 C ATOM 1124 O ASP A 75 -2.247 0.586 -9.398 1.00 45.15 O ATOM 1125 CB ASP A 75 -2.431 3.778 -8.193 1.00 41.02 C ATOM 1126 CG ASP A 75 -1.693 5.032 -8.619 1.00 51.03 C ATOM 1127 OD1 ASP A 75 -0.504 4.925 -8.988 1.00 14.24 O ATOM 1128 OD2 ASP A 75 -2.305 6.120 -8.585 1.00 44.14 O ATOM 0 H ASP A 75 -4.535 4.152 -9.429 1.00 24.43 H new ATOM 0 HA ASP A 75 -2.070 2.966 -10.148 1.00 74.22 H new ATOM 0 HB2 ASP A 75 -3.319 4.057 -7.625 1.00 41.02 H new ATOM 0 HB3 ASP A 75 -1.796 3.195 -7.526 1.00 41.02 H new ATOM 1133 N GLU A 76 -3.944 1.204 -8.056 1.00 22.41 N ATOM 1134 CA GLU A 76 -4.181 -0.145 -7.554 1.00 14.31 C ATOM 1135 C GLU A 76 -4.394 -1.124 -8.705 1.00 21.13 C ATOM 1136 O GLU A 76 -3.983 -2.282 -8.632 1.00 32.34 O ATOM 1137 CB GLU A 76 -5.398 -0.160 -6.625 1.00 65.24 C ATOM 1138 CG GLU A 76 -5.252 0.749 -5.417 1.00 53.51 C ATOM 1139 CD GLU A 76 -6.589 1.207 -4.867 1.00 54.13 C ATOM 1140 OE1 GLU A 76 -7.527 0.383 -4.823 1.00 43.53 O ATOM 1141 OE2 GLU A 76 -6.698 2.390 -4.481 1.00 23.11 O ATOM 0 H GLU A 76 -4.567 1.914 -7.670 1.00 22.41 H new ATOM 0 HA GLU A 76 -3.300 -0.457 -6.993 1.00 14.31 H new ATOM 0 HB2 GLU A 76 -6.280 0.140 -7.191 1.00 65.24 H new ATOM 0 HB3 GLU A 76 -5.571 -1.180 -6.283 1.00 65.24 H new ATOM 0 HG2 GLU A 76 -4.703 0.224 -4.636 1.00 53.51 H new ATOM 0 HG3 GLU A 76 -4.659 1.621 -5.693 1.00 53.51 H new ATOM 1148 N TRP A 77 -5.038 -0.651 -9.765 1.00 13.40 N ATOM 1149 CA TRP A 77 -5.306 -1.484 -10.931 1.00 73.34 C ATOM 1150 C TRP A 77 -4.014 -1.822 -11.667 1.00 75.42 C ATOM 1151 O TRP A 77 -3.906 -2.874 -12.300 1.00 43.52 O ATOM 1152 CB TRP A 77 -6.277 -0.776 -11.878 1.00 45.21 C ATOM 1153 CG TRP A 77 -6.589 -1.569 -13.111 1.00 13.12 C ATOM 1154 CD1 TRP A 77 -7.719 -2.297 -13.352 1.00 53.44 C ATOM 1155 CD2 TRP A 77 -5.760 -1.715 -14.269 1.00 32.11 C ATOM 1156 NE1 TRP A 77 -7.643 -2.887 -14.591 1.00 43.40 N ATOM 1157 CE2 TRP A 77 -6.451 -2.545 -15.174 1.00 12.32 C ATOM 1158 CE3 TRP A 77 -4.503 -1.225 -14.631 1.00 2.54 C ATOM 1159 CZ2 TRP A 77 -5.924 -2.894 -16.414 1.00 55.55 C ATOM 1160 CZ3 TRP A 77 -3.981 -1.572 -15.862 1.00 52.02 C ATOM 1161 CH2 TRP A 77 -4.691 -2.399 -16.742 1.00 73.25 C ATOM 0 H TRP A 77 -5.384 0.305 -9.841 1.00 13.40 H new ATOM 0 HA TRP A 77 -5.759 -2.413 -10.586 1.00 73.34 H new ATOM 0 HB2 TRP A 77 -7.205 -0.566 -11.345 1.00 45.21 H new ATOM 0 HB3 TRP A 77 -5.853 0.185 -12.170 1.00 45.21 H new ATOM 0 HD1 TRP A 77 -8.550 -2.395 -12.669 1.00 53.44 H new ATOM 0 HE1 TRP A 77 -8.358 -3.483 -15.009 1.00 43.40 H new ATOM 0 HE3 TRP A 77 -3.949 -0.586 -13.960 1.00 2.54 H new ATOM 0 HZ2 TRP A 77 -6.469 -3.533 -17.093 1.00 55.55 H new ATOM 0 HZ3 TRP A 77 -3.009 -1.199 -16.151 1.00 52.02 H new ATOM 0 HH2 TRP A 77 -4.257 -2.651 -17.698 1.00 73.25 H new ATOM 1172 N LEU A 78 -3.037 -0.927 -11.580 1.00 54.45 N ATOM 1173 CA LEU A 78 -1.752 -1.131 -12.238 1.00 45.35 C ATOM 1174 C LEU A 78 -0.927 -2.185 -11.507 1.00 1.00 C ATOM 1175 O LEU A 78 -0.405 -3.116 -12.121 1.00 33.25 O ATOM 1176 CB LEU A 78 -0.975 0.186 -12.304 1.00 31.42 C ATOM 1177 CG LEU A 78 -0.959 0.889 -13.662 1.00 23.53 C ATOM 1178 CD1 LEU A 78 -1.880 2.098 -13.648 1.00 14.13 C ATOM 1179 CD2 LEU A 78 0.459 1.300 -14.032 1.00 53.01 C ATOM 0 H LEU A 78 -3.110 -0.053 -11.060 1.00 54.45 H new ATOM 0 HA LEU A 78 -1.943 -1.484 -13.251 1.00 45.35 H new ATOM 0 HB2 LEU A 78 -1.397 0.871 -11.568 1.00 31.42 H new ATOM 0 HB3 LEU A 78 0.055 -0.008 -12.006 1.00 31.42 H new ATOM 0 HG LEU A 78 -1.322 0.191 -14.416 1.00 23.53 H new ATOM 0 HD11 LEU A 78 -1.855 2.585 -14.623 1.00 14.13 H new ATOM 0 HD12 LEU A 78 -2.898 1.777 -13.428 1.00 14.13 H new ATOM 0 HD13 LEU A 78 -1.548 2.800 -12.883 1.00 14.13 H new ATOM 0 HD21 LEU A 78 0.452 1.799 -15.001 1.00 53.01 H new ATOM 0 HD22 LEU A 78 0.849 1.981 -13.276 1.00 53.01 H new ATOM 0 HD23 LEU A 78 1.093 0.415 -14.084 1.00 53.01 H new ATOM 1191 N VAL A 79 -0.815 -2.033 -10.191 1.00 63.22 N ATOM 1192 CA VAL A 79 -0.057 -2.974 -9.375 1.00 5.31 C ATOM 1193 C VAL A 79 -0.658 -4.373 -9.447 1.00 1.21 C ATOM 1194 O VAL A 79 0.044 -5.370 -9.283 1.00 61.22 O ATOM 1195 CB VAL A 79 -0.005 -2.524 -7.903 1.00 23.24 C ATOM 1196 CG1 VAL A 79 0.743 -1.206 -7.773 1.00 21.04 C ATOM 1197 CG2 VAL A 79 -1.410 -2.408 -7.332 1.00 21.14 C ATOM 0 H VAL A 79 -1.239 -1.267 -9.668 1.00 63.22 H new ATOM 0 HA VAL A 79 0.956 -2.997 -9.776 1.00 5.31 H new ATOM 0 HB VAL A 79 0.535 -3.278 -7.330 1.00 23.24 H new ATOM 0 HG11 VAL A 79 0.769 -0.904 -6.726 1.00 21.04 H new ATOM 0 HG12 VAL A 79 1.762 -1.328 -8.141 1.00 21.04 H new ATOM 0 HG13 VAL A 79 0.235 -0.440 -8.359 1.00 21.04 H new ATOM 0 HG21 VAL A 79 -1.355 -2.089 -6.291 1.00 21.14 H new ATOM 0 HG22 VAL A 79 -1.977 -1.675 -7.906 1.00 21.14 H new ATOM 0 HG23 VAL A 79 -1.907 -3.376 -7.389 1.00 21.14 H new ATOM 1207 N MET A 80 -1.962 -4.438 -9.693 1.00 72.33 N ATOM 1208 CA MET A 80 -2.658 -5.716 -9.789 1.00 33.23 C ATOM 1209 C MET A 80 -1.951 -6.648 -10.768 1.00 34.55 C ATOM 1210 O MET A 80 -1.709 -7.816 -10.462 1.00 40.30 O ATOM 1211 CB MET A 80 -4.108 -5.500 -10.228 1.00 63.22 C ATOM 1212 CG MET A 80 -5.077 -5.341 -9.068 1.00 51.23 C ATOM 1213 SD MET A 80 -6.771 -5.765 -9.516 1.00 15.21 S ATOM 1214 CE MET A 80 -6.907 -4.973 -11.117 1.00 21.31 C ATOM 0 H MET A 80 -2.558 -3.622 -9.829 1.00 72.33 H new ATOM 0 HA MET A 80 -2.650 -6.181 -8.803 1.00 33.23 H new ATOM 0 HB2 MET A 80 -4.160 -4.612 -10.858 1.00 63.22 H new ATOM 0 HB3 MET A 80 -4.423 -6.345 -10.841 1.00 63.22 H new ATOM 0 HG2 MET A 80 -4.755 -5.974 -8.241 1.00 51.23 H new ATOM 0 HG3 MET A 80 -5.046 -4.311 -8.712 1.00 51.23 H new ATOM 0 HE1 MET A 80 -7.804 -4.355 -11.142 1.00 21.31 H new ATOM 0 HE2 MET A 80 -6.031 -4.348 -11.289 1.00 21.31 H new ATOM 0 HE3 MET A 80 -6.969 -5.734 -11.895 1.00 21.31 H new ATOM 1224 N MET A 81 -1.624 -6.125 -11.945 1.00 21.45 N ATOM 1225 CA MET A 81 -0.944 -6.912 -12.967 1.00 40.22 C ATOM 1226 C MET A 81 0.447 -7.327 -12.498 1.00 71.24 C ATOM 1227 O MET A 81 0.876 -8.458 -12.724 1.00 31.32 O ATOM 1228 CB MET A 81 -0.839 -6.114 -14.269 1.00 32.25 C ATOM 1229 CG MET A 81 -1.296 -6.888 -15.494 1.00 71.33 C ATOM 1230 SD MET A 81 -3.091 -6.934 -15.658 1.00 12.42 S ATOM 1231 CE MET A 81 -3.465 -5.186 -15.768 1.00 54.53 C ATOM 0 H MET A 81 -1.819 -5.161 -12.215 1.00 21.45 H new ATOM 0 HA MET A 81 -1.531 -7.813 -13.147 1.00 40.22 H new ATOM 0 HB2 MET A 81 -1.436 -5.207 -14.179 1.00 32.25 H new ATOM 0 HB3 MET A 81 0.195 -5.802 -14.412 1.00 32.25 H new ATOM 0 HG2 MET A 81 -0.865 -6.435 -16.387 1.00 71.33 H new ATOM 0 HG3 MET A 81 -0.914 -7.907 -15.438 1.00 71.33 H new ATOM 0 HE1 MET A 81 -4.112 -5.006 -16.627 1.00 54.53 H new ATOM 0 HE2 MET A 81 -3.972 -4.864 -14.858 1.00 54.53 H new ATOM 0 HE3 MET A 81 -2.539 -4.623 -15.886 1.00 54.53 H new ATOM 1241 N ALA A 82 1.146 -6.405 -11.846 1.00 4.24 N ATOM 1242 CA ALA A 82 2.488 -6.676 -11.344 1.00 33.41 C ATOM 1243 C ALA A 82 2.504 -7.926 -10.470 1.00 3.34 C ATOM 1244 O ALA A 82 3.452 -8.710 -10.510 1.00 20.42 O ATOM 1245 CB ALA A 82 3.013 -5.479 -10.566 1.00 50.34 C ATOM 0 H ALA A 82 0.806 -5.463 -11.653 1.00 4.24 H new ATOM 0 HA ALA A 82 3.140 -6.853 -12.199 1.00 33.41 H new ATOM 0 HB1 ALA A 82 4.016 -5.696 -10.197 1.00 50.34 H new ATOM 0 HB2 ALA A 82 3.047 -4.607 -11.219 1.00 50.34 H new ATOM 0 HB3 ALA A 82 2.353 -5.275 -9.723 1.00 50.34 H new ATOM 1251 N ARG A 83 1.450 -8.104 -9.680 1.00 3.42 N ATOM 1252 CA ARG A 83 1.345 -9.257 -8.794 1.00 43.21 C ATOM 1253 C ARG A 83 1.293 -10.555 -9.595 1.00 50.51 C ATOM 1254 O ARG A 83 1.655 -11.620 -9.094 1.00 13.10 O ATOM 1255 CB ARG A 83 0.100 -9.138 -7.913 1.00 63.30 C ATOM 1256 CG ARG A 83 0.244 -9.817 -6.561 1.00 23.22 C ATOM 1257 CD ARG A 83 -0.555 -9.095 -5.487 1.00 60.41 C ATOM 1258 NE ARG A 83 -1.008 -10.005 -4.438 1.00 53.30 N ATOM 1259 CZ ARG A 83 -1.992 -10.883 -4.601 1.00 4.21 C ATOM 1260 NH1 ARG A 83 -2.621 -10.970 -5.765 1.00 0.04 N ATOM 1261 NH2 ARG A 83 -2.347 -11.676 -3.599 1.00 21.44 N ATOM 0 H ARG A 83 0.657 -7.464 -9.636 1.00 3.42 H new ATOM 0 HA ARG A 83 2.230 -9.278 -8.159 1.00 43.21 H new ATOM 0 HB2 ARG A 83 -0.126 -8.083 -7.758 1.00 63.30 H new ATOM 0 HB3 ARG A 83 -0.750 -9.572 -8.439 1.00 63.30 H new ATOM 0 HG2 ARG A 83 -0.094 -10.851 -6.634 1.00 23.22 H new ATOM 0 HG3 ARG A 83 1.296 -9.845 -6.277 1.00 23.22 H new ATOM 0 HD2 ARG A 83 0.058 -8.309 -5.046 1.00 60.41 H new ATOM 0 HD3 ARG A 83 -1.418 -8.608 -5.942 1.00 60.41 H new ATOM 0 HE ARG A 83 -0.544 -9.964 -3.531 1.00 53.30 H new ATOM 0 HH11 ARG A 83 -2.350 -10.362 -6.538 1.00 0.04 H new ATOM 0 HH12 ARG A 83 -3.376 -11.645 -5.888 1.00 0.04 H new ATOM 0 HH21 ARG A 83 -1.865 -11.612 -2.703 1.00 21.44 H new ATOM 0 HH22 ARG A 83 -3.102 -12.350 -3.725 1.00 21.44 H new ATOM 1275 N CYS A 84 0.840 -10.457 -10.840 1.00 65.21 N ATOM 1276 CA CYS A 84 0.740 -11.623 -11.710 1.00 75.43 C ATOM 1277 C CYS A 84 2.123 -12.116 -12.122 1.00 21.23 C ATOM 1278 O CYS A 84 2.279 -13.249 -12.577 1.00 42.32 O ATOM 1279 CB CYS A 84 -0.086 -11.288 -12.953 1.00 72.33 C ATOM 1280 SG CYS A 84 -0.603 -12.734 -13.908 1.00 63.13 S ATOM 0 H CYS A 84 0.536 -9.583 -11.269 1.00 65.21 H new ATOM 0 HA CYS A 84 0.242 -12.418 -11.154 1.00 75.43 H new ATOM 0 HB2 CYS A 84 -0.972 -10.732 -12.648 1.00 72.33 H new ATOM 0 HB3 CYS A 84 0.497 -10.630 -13.597 1.00 72.33 H new ATOM 0 HG CYS A 84 0.315 -13.652 -13.837 1.00 63.13 H new ATOM 1286 N MET A 85 3.124 -11.257 -11.959 1.00 71.13 N ATOM 1287 CA MET A 85 4.495 -11.605 -12.314 1.00 72.44 C ATOM 1288 C MET A 85 5.097 -12.559 -11.287 1.00 50.13 C ATOM 1289 O MET A 85 5.950 -13.383 -11.616 1.00 23.45 O ATOM 1290 CB MET A 85 5.353 -10.343 -12.421 1.00 21.42 C ATOM 1291 CG MET A 85 4.947 -9.427 -13.564 1.00 23.12 C ATOM 1292 SD MET A 85 5.206 -10.179 -15.182 1.00 71.01 S ATOM 1293 CE MET A 85 6.882 -9.655 -15.535 1.00 20.42 C ATOM 0 H MET A 85 3.012 -10.315 -11.584 1.00 71.13 H new ATOM 0 HA MET A 85 4.477 -12.106 -13.282 1.00 72.44 H new ATOM 0 HB2 MET A 85 5.290 -9.790 -11.484 1.00 21.42 H new ATOM 0 HB3 MET A 85 6.396 -10.632 -12.551 1.00 21.42 H new ATOM 0 HG2 MET A 85 3.896 -9.161 -13.455 1.00 23.12 H new ATOM 0 HG3 MET A 85 5.518 -8.501 -13.503 1.00 23.12 H new ATOM 0 HE1 MET A 85 7.187 -10.043 -16.507 1.00 20.42 H new ATOM 0 HE2 MET A 85 6.928 -8.566 -15.548 1.00 20.42 H new ATOM 0 HE3 MET A 85 7.552 -10.037 -14.765 1.00 20.42 H new