USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 694 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 73 CYS SG : rot 180:sc= -0.136 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.0602 K(o=-0.076,f=-7.7!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -1.91! (180deg=-3.05!) USER MOD Single : A 19 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 30 ASN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 38 MET CE :methyl -178:sc= -0.579 (180deg=-0.606) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -58:sc= 0.077 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0649 USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= 1.06 (180deg=0.17) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 165:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0905 USER MOD Single : A 82 TYR OH : rot -98:sc= 0.0051 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 168:sc= -0.126 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -9.819 4.593 2.077 1.00 0.00 N ATOM 74 CA PRO A 7 -8.702 4.082 1.300 1.00 0.00 C ATOM 75 C PRO A 7 -8.533 2.570 1.533 1.00 0.00 C ATOM 76 O PRO A 7 -7.926 2.163 2.531 1.00 0.00 O ATOM 77 CB PRO A 7 -7.496 4.927 1.743 1.00 0.00 C ATOM 78 CG PRO A 7 -7.830 5.255 3.200 1.00 0.00 C ATOM 79 CD PRO A 7 -9.343 5.411 3.183 1.00 0.00 C ATOM 0 HA PRO A 7 -8.841 4.172 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.561 4.374 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.390 5.828 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.515 4.459 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.335 6.168 3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.780 5.083 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.626 6.455 3.046 1.00 0.00 H new ATOM 87 N VAL A 8 -9.002 1.723 0.611 1.00 0.00 N ATOM 88 CA VAL A 8 -8.931 0.253 0.692 1.00 0.00 C ATOM 89 C VAL A 8 -8.579 -0.309 -0.694 1.00 0.00 C ATOM 90 O VAL A 8 -8.602 0.438 -1.667 1.00 0.00 O ATOM 91 CB VAL A 8 -10.259 -0.336 1.240 1.00 0.00 C ATOM 92 CG1 VAL A 8 -10.017 -1.698 1.911 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.972 0.562 2.262 1.00 0.00 C ATOM 0 H VAL A 8 -9.457 2.048 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.149 -0.040 1.393 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.901 -0.427 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.961 -2.091 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.599 -2.393 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.319 -1.577 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.890 0.077 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.319 0.728 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.214 1.519 1.799 1.00 0.00 H new ATOM 103 N VAL A 9 -8.182 -1.584 -0.798 1.00 0.00 N ATOM 104 CA VAL A 9 -7.669 -2.190 -2.025 1.00 0.00 C ATOM 105 C VAL A 9 -8.657 -3.192 -2.619 1.00 0.00 C ATOM 106 O VAL A 9 -9.067 -4.136 -1.946 1.00 0.00 O ATOM 107 CB VAL A 9 -6.257 -2.785 -1.780 1.00 0.00 C ATOM 108 CG1 VAL A 9 -6.123 -3.752 -0.602 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.725 -3.477 -3.048 1.00 0.00 C ATOM 0 H VAL A 9 -8.211 -2.234 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.560 -1.413 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.661 -1.912 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.092 -4.100 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.396 -3.241 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.785 -4.605 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.734 -3.886 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.400 -4.284 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.663 -2.752 -3.860 1.00 0.00 H new ATOM 119 N GLY A 10 -8.991 -3.027 -3.898 1.00 0.00 N ATOM 120 CA GLY A 10 -9.730 -3.990 -4.698 1.00 0.00 C ATOM 121 C GLY A 10 -9.471 -3.745 -6.181 1.00 0.00 C ATOM 122 O GLY A 10 -10.300 -3.151 -6.864 1.00 0.00 O ATOM 0 H GLY A 10 -8.743 -2.187 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.430 -5.003 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.796 -3.907 -4.488 1.00 0.00 H new ATOM 126 N MET A 11 -8.289 -4.150 -6.677 1.00 0.00 N ATOM 127 CA MET A 11 -7.754 -3.990 -8.048 1.00 0.00 C ATOM 128 C MET A 11 -7.527 -2.539 -8.520 1.00 0.00 C ATOM 129 O MET A 11 -6.500 -2.264 -9.137 1.00 0.00 O ATOM 130 CB MET A 11 -8.547 -4.841 -9.054 1.00 0.00 C ATOM 131 CG MET A 11 -8.238 -6.328 -8.830 1.00 0.00 C ATOM 132 SD MET A 11 -9.192 -7.485 -9.844 1.00 0.00 S ATOM 133 CE MET A 11 -10.704 -7.593 -8.857 1.00 0.00 C ATOM 0 H MET A 11 -7.623 -4.641 -6.080 1.00 0.00 H new ATOM 0 HA MET A 11 -6.737 -4.379 -8.001 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.615 -4.660 -8.936 1.00 0.00 H new ATOM 0 HB3 MET A 11 -8.286 -4.555 -10.073 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.178 -6.493 -9.022 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.413 -6.563 -7.780 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.407 -8.271 -9.341 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.463 -7.969 -7.863 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.154 -6.604 -8.771 1.00 0.00 H new ATOM 143 N ASP A 12 -8.343 -1.604 -8.049 1.00 0.00 N ATOM 144 CA ASP A 12 -8.410 -0.137 -8.054 1.00 0.00 C ATOM 145 C ASP A 12 -7.122 0.661 -7.755 1.00 0.00 C ATOM 146 O ASP A 12 -7.139 1.638 -7.000 1.00 0.00 O ATOM 147 CB ASP A 12 -9.469 0.203 -6.986 1.00 0.00 C ATOM 148 CG ASP A 12 -9.086 -0.281 -5.576 1.00 0.00 C ATOM 149 OD1 ASP A 12 -7.895 -0.575 -5.295 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.981 -0.487 -4.741 1.00 0.00 O ATOM 0 H ASP A 12 -9.159 -1.939 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.632 0.164 -9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.620 1.282 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.420 -0.246 -7.271 1.00 0.00 H new ATOM 155 N LYS A 13 -5.967 0.284 -8.314 1.00 0.00 N ATOM 156 CA LYS A 13 -4.694 0.958 -8.045 1.00 0.00 C ATOM 157 C LYS A 13 -4.638 2.326 -8.738 1.00 0.00 C ATOM 158 O LYS A 13 -3.881 2.487 -9.690 1.00 0.00 O ATOM 159 CB LYS A 13 -3.490 0.066 -8.425 1.00 0.00 C ATOM 160 CG LYS A 13 -3.316 -1.231 -7.607 1.00 0.00 C ATOM 161 CD LYS A 13 -3.260 -1.054 -6.088 1.00 0.00 C ATOM 162 CE LYS A 13 -4.274 -1.991 -5.443 1.00 0.00 C ATOM 163 NZ LYS A 13 -5.649 -1.806 -5.976 1.00 0.00 N ATOM 0 H LYS A 13 -5.889 -0.497 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.629 1.135 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.582 -0.203 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.580 0.658 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.140 -1.903 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.399 -1.723 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.258 -1.273 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.479 -0.020 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.962 -3.023 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.281 -1.825 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.158 -2.712 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.154 -1.105 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.598 -1.471 -6.959 1.00 0.00 H new ATOM 177 N SER A 14 -5.399 3.300 -8.233 1.00 0.00 N ATOM 178 CA SER A 14 -5.405 4.705 -8.627 1.00 0.00 C ATOM 179 C SER A 14 -6.119 5.598 -7.594 1.00 0.00 C ATOM 180 O SER A 14 -6.280 6.792 -7.850 1.00 0.00 O ATOM 181 CB SER A 14 -6.071 4.830 -10.008 1.00 0.00 C ATOM 182 OG SER A 14 -5.136 5.226 -10.990 1.00 0.00 O ATOM 0 H SER A 14 -6.071 3.112 -7.489 1.00 0.00 H new ATOM 0 HA SER A 14 -4.374 5.054 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.515 3.875 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.882 5.557 -9.960 1.00 0.00 H new ATOM 0 HG SER A 14 -5.584 5.296 -11.859 1.00 0.00 H new ATOM 188 N LEU A 15 -6.575 5.084 -6.444 1.00 0.00 N ATOM 189 CA LEU A 15 -7.367 5.868 -5.481 1.00 0.00 C ATOM 190 C LEU A 15 -6.587 6.221 -4.205 1.00 0.00 C ATOM 191 O LEU A 15 -7.033 7.065 -3.429 1.00 0.00 O ATOM 192 CB LEU A 15 -8.628 5.081 -5.086 1.00 0.00 C ATOM 193 CG LEU A 15 -9.536 4.605 -6.236 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.652 3.720 -5.678 1.00 0.00 C ATOM 195 CD2 LEU A 15 -10.148 5.789 -6.994 1.00 0.00 C ATOM 0 H LEU A 15 -6.408 4.120 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.626 6.803 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.318 4.207 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.223 5.705 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.924 4.035 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.293 3.385 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.215 2.854 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.244 4.290 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.783 5.417 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.746 6.390 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.351 6.403 -7.415 1.00 0.00 H new ATOM 207 N PHE A 16 -5.442 5.575 -3.971 1.00 0.00 N ATOM 208 CA PHE A 16 -4.807 5.498 -2.654 1.00 0.00 C ATOM 209 C PHE A 16 -4.253 6.847 -2.214 1.00 0.00 C ATOM 210 O PHE A 16 -4.356 7.187 -1.034 1.00 0.00 O ATOM 211 CB PHE A 16 -3.702 4.435 -2.655 1.00 0.00 C ATOM 212 CG PHE A 16 -4.223 3.018 -2.776 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.812 2.576 -3.973 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.156 2.148 -1.674 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.300 1.274 -4.083 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.693 0.851 -1.768 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.259 0.422 -2.980 1.00 0.00 C ATOM 0 H PHE A 16 -4.924 5.085 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.573 5.210 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.019 4.634 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.124 4.523 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.887 3.249 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.692 2.475 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.709 0.927 -5.020 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.670 0.190 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.666 -0.576 -3.058 1.00 0.00 H new ATOM 227 N ALA A 17 -3.748 7.639 -3.166 1.00 0.00 N ATOM 228 CA ALA A 17 -3.390 9.046 -3.035 1.00 0.00 C ATOM 229 C ALA A 17 -4.606 9.948 -2.745 1.00 0.00 C ATOM 230 O ALA A 17 -4.680 11.079 -3.229 1.00 0.00 O ATOM 231 CB ALA A 17 -2.649 9.457 -4.311 1.00 0.00 C ATOM 0 H ALA A 17 -3.569 7.287 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.741 9.178 -2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.366 10.508 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.753 8.846 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.300 9.310 -5.173 1.00 0.00 H new ATOM 237 N GLY A 18 -5.606 9.459 -2.013 1.00 0.00 N ATOM 238 CA GLY A 18 -6.838 10.160 -1.707 1.00 0.00 C ATOM 239 C GLY A 18 -6.914 10.589 -0.246 1.00 0.00 C ATOM 240 O GLY A 18 -7.343 11.713 0.013 1.00 0.00 O ATOM 0 H GLY A 18 -5.572 8.525 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.921 11.039 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.687 9.516 -1.939 1.00 0.00 H new ATOM 244 N ASN A 19 -6.483 9.743 0.702 1.00 0.00 N ATOM 245 CA ASN A 19 -6.450 10.121 2.120 1.00 0.00 C ATOM 246 C ASN A 19 -5.021 10.464 2.536 1.00 0.00 C ATOM 247 O ASN A 19 -4.061 9.975 1.944 1.00 0.00 O ATOM 248 CB ASN A 19 -7.023 9.004 3.009 1.00 0.00 C ATOM 249 CG ASN A 19 -7.330 9.498 4.427 1.00 0.00 C ATOM 250 OD1 ASN A 19 -7.539 10.685 4.665 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.331 8.634 5.424 1.00 0.00 N ATOM 0 H ASN A 19 -6.154 8.796 0.512 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.078 11.002 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.934 8.612 2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.312 8.180 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.504 8.955 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.159 7.645 5.242 1.00 0.00 H new ATOM 258 N THR A 20 -4.879 11.247 3.601 1.00 0.00 N ATOM 259 CA THR A 20 -3.609 11.733 4.134 1.00 0.00 C ATOM 260 C THR A 20 -3.447 11.325 5.604 1.00 0.00 C ATOM 261 O THR A 20 -2.753 11.986 6.372 1.00 0.00 O ATOM 262 CB THR A 20 -3.547 13.257 3.941 1.00 0.00 C ATOM 263 OG1 THR A 20 -4.682 13.916 4.485 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.439 13.602 2.461 1.00 0.00 C ATOM 0 H THR A 20 -5.680 11.575 4.140 1.00 0.00 H new ATOM 0 HA THR A 20 -2.776 11.281 3.596 1.00 0.00 H new ATOM 0 HB THR A 20 -2.662 13.604 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.600 14.882 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.396 14.685 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.534 13.155 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.309 13.213 1.932 1.00 0.00 H new ATOM 272 N VAL A 21 -4.159 10.274 6.014 1.00 0.00 N ATOM 273 CA VAL A 21 -4.324 9.832 7.396 1.00 0.00 C ATOM 274 C VAL A 21 -4.371 8.294 7.422 1.00 0.00 C ATOM 275 O VAL A 21 -4.853 7.673 8.372 1.00 0.00 O ATOM 276 CB VAL A 21 -5.589 10.477 8.027 1.00 0.00 C ATOM 277 CG1 VAL A 21 -5.439 10.549 9.552 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.884 11.909 7.551 1.00 0.00 C ATOM 0 H VAL A 21 -4.661 9.679 5.355 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.478 10.158 8.001 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.410 9.835 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.331 11.003 9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.313 9.543 9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.567 11.152 9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.784 12.278 8.043 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.043 12.556 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.035 11.910 6.472 1.00 0.00 H new ATOM 288 N ILE A 22 -3.925 7.650 6.340 1.00 0.00 N ATOM 289 CA ILE A 22 -3.779 6.218 6.254 1.00 0.00 C ATOM 290 C ILE A 22 -2.386 5.917 6.787 1.00 0.00 C ATOM 291 O ILE A 22 -1.393 6.219 6.124 1.00 0.00 O ATOM 292 CB ILE A 22 -4.105 5.720 4.829 1.00 0.00 C ATOM 293 CG1 ILE A 22 -3.776 4.229 4.759 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.468 6.490 3.653 1.00 0.00 C ATOM 295 CD1 ILE A 22 -4.514 3.499 3.639 1.00 0.00 C ATOM 0 H ILE A 22 -3.652 8.134 5.485 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.492 5.659 6.860 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.167 5.915 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.702 4.107 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.026 3.764 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.778 6.037 2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.793 7.530 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.382 6.447 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.235 2.445 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.589 3.591 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.245 3.939 2.679 1.00 0.00 H new ATOM 307 N ARG A 23 -2.346 5.405 8.018 1.00 0.00 N ATOM 308 CA ARG A 23 -1.147 5.066 8.768 1.00 0.00 C ATOM 309 C ARG A 23 -0.954 3.549 8.870 1.00 0.00 C ATOM 310 O ARG A 23 0.060 3.116 9.422 1.00 0.00 O ATOM 311 CB ARG A 23 -1.139 5.784 10.129 1.00 0.00 C ATOM 312 CG ARG A 23 -0.503 7.170 9.975 1.00 0.00 C ATOM 313 CD ARG A 23 -0.374 7.934 11.289 1.00 0.00 C ATOM 314 NE ARG A 23 -1.642 8.525 11.736 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.093 9.760 11.491 1.00 0.00 C ATOM 316 NH1 ARG A 23 -1.423 10.630 10.741 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.253 10.120 12.018 1.00 0.00 N ATOM 0 H ARG A 23 -3.198 5.207 8.542 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.277 5.430 8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.157 5.880 10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.582 5.196 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.486 7.059 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.101 7.759 9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.002 7.259 12.060 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.368 8.724 11.172 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.247 7.926 12.297 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.529 10.365 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.803 11.563 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.778 9.462 12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.622 11.056 11.848 1.00 0.00 H new ATOM 331 N GLU A 24 -1.736 2.749 8.137 1.00 0.00 N ATOM 332 CA GLU A 24 -1.397 1.378 7.744 1.00 0.00 C ATOM 333 C GLU A 24 -2.164 1.069 6.460 1.00 0.00 C ATOM 334 O GLU A 24 -3.299 1.528 6.306 1.00 0.00 O ATOM 335 CB GLU A 24 -1.811 0.327 8.822 1.00 0.00 C ATOM 336 CG GLU A 24 -0.855 0.161 10.019 1.00 0.00 C ATOM 337 CD GLU A 24 -1.075 -1.071 10.934 1.00 0.00 C ATOM 338 OE1 GLU A 24 -1.993 -1.897 10.701 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.288 -1.233 11.903 1.00 0.00 O ATOM 0 H GLU A 24 -2.648 3.047 7.791 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.316 1.313 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.794 0.600 9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.917 -0.641 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.164 0.119 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.926 1.057 10.635 1.00 0.00 H new ATOM 346 N ILE A 25 -1.616 0.235 5.567 1.00 0.00 N ATOM 347 CA ILE A 25 -2.367 -0.336 4.446 1.00 0.00 C ATOM 348 C ILE A 25 -2.123 -1.831 4.435 1.00 0.00 C ATOM 349 O ILE A 25 -0.984 -2.245 4.248 1.00 0.00 O ATOM 350 CB ILE A 25 -2.014 0.254 3.053 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.515 1.710 3.124 1.00 0.00 C ATOM 352 CG2 ILE A 25 -3.258 0.038 2.168 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.477 2.496 1.809 1.00 0.00 C ATOM 0 H ILE A 25 -0.641 -0.061 5.603 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.415 -0.083 4.608 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.160 -0.257 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.150 2.252 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.509 1.704 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.068 0.435 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.475 -1.028 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.111 0.554 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.108 3.504 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.815 1.993 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.481 2.551 1.389 1.00 0.00 H new ATOM 365 N THR A 26 -3.162 -2.638 4.602 1.00 0.00 N ATOM 366 CA THR A 26 -3.048 -4.057 4.309 1.00 0.00 C ATOM 367 C THR A 26 -3.241 -4.224 2.795 1.00 0.00 C ATOM 368 O THR A 26 -4.252 -3.777 2.240 1.00 0.00 O ATOM 369 CB THR A 26 -4.099 -4.817 5.123 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.957 -4.463 6.485 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.919 -6.330 5.003 1.00 0.00 C ATOM 0 H THR A 26 -4.079 -2.339 4.934 1.00 0.00 H new ATOM 0 HA THR A 26 -2.075 -4.463 4.585 1.00 0.00 H new ATOM 0 HB THR A 26 -5.084 -4.552 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.625 -4.941 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.683 -6.835 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.014 -6.626 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.932 -6.609 5.371 1.00 0.00 H new ATOM 379 N VAL A 27 -2.288 -4.856 2.111 1.00 0.00 N ATOM 380 CA VAL A 27 -2.391 -5.242 0.712 1.00 0.00 C ATOM 381 C VAL A 27 -2.264 -6.757 0.652 1.00 0.00 C ATOM 382 O VAL A 27 -1.842 -7.414 1.605 1.00 0.00 O ATOM 383 CB VAL A 27 -1.338 -4.550 -0.183 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.795 -4.433 -1.650 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.970 -3.149 0.297 1.00 0.00 C ATOM 0 H VAL A 27 -1.397 -5.120 2.532 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.353 -4.916 0.317 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.464 -5.198 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.019 -3.940 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.977 -5.429 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.713 -3.848 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.227 -2.718 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.861 -2.521 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.559 -3.206 1.305 1.00 0.00 H new ATOM 395 N GLN A 28 -2.654 -7.298 -0.492 1.00 0.00 N ATOM 396 CA GLN A 28 -2.870 -8.706 -0.707 1.00 0.00 C ATOM 397 C GLN A 28 -2.137 -9.088 -1.988 1.00 0.00 C ATOM 398 O GLN A 28 -1.830 -8.207 -2.799 1.00 0.00 O ATOM 399 CB GLN A 28 -4.388 -8.972 -0.752 1.00 0.00 C ATOM 400 CG GLN A 28 -5.155 -8.313 0.412 1.00 0.00 C ATOM 401 CD GLN A 28 -6.646 -8.585 0.344 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.390 -7.854 -0.304 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.111 -9.613 1.025 1.00 0.00 N ATOM 0 H GLN A 28 -2.834 -6.738 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.475 -9.325 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.787 -8.603 -1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.563 -10.048 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.763 -8.684 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.983 -7.237 0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.471 -10.205 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.110 -9.817 1.022 1.00 0.00 H new ATOM 412 N PRO A 29 -1.790 -10.362 -2.197 1.00 0.00 N ATOM 413 CA PRO A 29 -1.045 -10.741 -3.378 1.00 0.00 C ATOM 414 C PRO A 29 -1.952 -10.627 -4.608 1.00 0.00 C ATOM 415 O PRO A 29 -3.184 -10.683 -4.517 1.00 0.00 O ATOM 416 CB PRO A 29 -0.542 -12.152 -3.099 1.00 0.00 C ATOM 417 CG PRO A 29 -1.556 -12.720 -2.123 1.00 0.00 C ATOM 418 CD PRO A 29 -2.055 -11.507 -1.346 1.00 0.00 C ATOM 0 HA PRO A 29 -0.194 -10.095 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.492 -12.745 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.460 -12.141 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.372 -13.221 -2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.101 -13.456 -1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.119 -11.593 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.538 -11.414 -0.391 1.00 0.00 H new ATOM 426 N ASN A 30 -1.320 -10.476 -5.769 1.00 0.00 N ATOM 427 CA ASN A 30 -1.946 -10.426 -7.097 1.00 0.00 C ATOM 428 C ASN A 30 -3.181 -9.501 -7.199 1.00 0.00 C ATOM 429 O ASN A 30 -4.152 -9.859 -7.873 1.00 0.00 O ATOM 430 CB ASN A 30 -2.312 -11.847 -7.587 1.00 0.00 C ATOM 431 CG ASN A 30 -1.292 -12.956 -7.404 1.00 0.00 C ATOM 432 OD1 ASN A 30 -1.671 -14.119 -7.313 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.006 -12.662 -7.368 1.00 0.00 N ATOM 0 H ASN A 30 -0.306 -10.380 -5.817 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.189 -9.985 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.227 -12.149 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.546 -11.782 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.684 -13.406 -7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.298 -11.691 -7.445 1.00 0.00 H new ATOM 440 N ILE A 31 -3.201 -8.336 -6.533 1.00 0.00 N ATOM 441 CA ILE A 31 -4.371 -7.441 -6.464 1.00 0.00 C ATOM 442 C ILE A 31 -4.118 -6.060 -7.106 1.00 0.00 C ATOM 443 O ILE A 31 -4.851 -5.096 -6.854 1.00 0.00 O ATOM 444 CB ILE A 31 -4.953 -7.455 -5.035 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.444 -7.047 -5.033 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.156 -6.594 -4.056 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.185 -7.711 -3.871 1.00 0.00 C ATOM 0 H ILE A 31 -2.394 -7.982 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.168 -7.824 -7.101 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.872 -8.484 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.529 -5.963 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.906 -7.335 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.615 -6.645 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.131 -6.962 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.152 -5.560 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.233 -7.410 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.117 -8.795 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.734 -7.402 -2.928 1.00 0.00 H new ATOM 459 N GLY A 32 -3.090 -5.954 -7.953 1.00 0.00 N ATOM 460 CA GLY A 32 -2.827 -4.820 -8.830 1.00 0.00 C ATOM 461 C GLY A 32 -1.343 -4.461 -8.808 1.00 0.00 C ATOM 462 O GLY A 32 -0.678 -4.632 -7.778 1.00 0.00 O ATOM 0 H GLY A 32 -2.391 -6.691 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.134 -5.061 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.420 -3.962 -8.513 1.00 0.00 H new ATOM 466 N LEU A 33 -0.821 -3.934 -9.918 1.00 0.00 N ATOM 467 CA LEU A 33 0.526 -3.367 -9.984 1.00 0.00 C ATOM 468 C LEU A 33 0.553 -2.120 -9.087 1.00 0.00 C ATOM 469 O LEU A 33 -0.316 -1.253 -9.182 1.00 0.00 O ATOM 470 CB LEU A 33 0.882 -3.023 -11.442 1.00 0.00 C ATOM 471 CG LEU A 33 2.375 -2.719 -11.706 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.955 -1.572 -10.941 1.00 0.00 C ATOM 473 CD2 LEU A 33 3.264 -3.945 -11.593 1.00 0.00 C ATOM 0 H LEU A 33 -1.326 -3.889 -10.803 1.00 0.00 H new ATOM 0 HA LEU A 33 1.269 -4.083 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.580 -3.855 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.293 -2.158 -11.748 1.00 0.00 H new ATOM 0 HG LEU A 33 2.364 -2.393 -12.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.005 -1.452 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.412 -0.659 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.870 -1.768 -9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.299 -3.664 -11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.185 -4.360 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.947 -4.693 -12.320 1.00 0.00 H new ATOM 485 N LEU A 34 1.552 -2.039 -8.215 1.00 0.00 N ATOM 486 CA LEU A 34 1.829 -0.877 -7.375 1.00 0.00 C ATOM 487 C LEU A 34 2.561 0.166 -8.237 1.00 0.00 C ATOM 488 O LEU A 34 3.795 0.198 -8.229 1.00 0.00 O ATOM 489 CB LEU A 34 2.698 -1.314 -6.182 1.00 0.00 C ATOM 490 CG LEU A 34 1.984 -2.190 -5.135 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.843 -3.369 -4.656 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.655 -1.349 -3.907 1.00 0.00 C ATOM 0 H LEU A 34 2.212 -2.803 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 34 0.909 -0.442 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.560 -1.861 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.080 -0.422 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 34 1.090 -2.581 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.287 -3.949 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.094 -4.005 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.759 -2.991 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.150 -1.969 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.576 -0.952 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.003 -0.524 -4.195 1.00 0.00 H new ATOM 504 N TYR A 35 1.827 0.898 -9.083 1.00 0.00 N ATOM 505 CA TYR A 35 2.447 1.635 -10.187 1.00 0.00 C ATOM 506 C TYR A 35 3.157 2.890 -9.690 1.00 0.00 C ATOM 507 O TYR A 35 3.012 3.306 -8.540 1.00 0.00 O ATOM 508 CB TYR A 35 1.450 1.905 -11.326 1.00 0.00 C ATOM 509 CG TYR A 35 0.618 3.162 -11.207 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.632 3.133 -10.569 1.00 0.00 C ATOM 511 CD2 TYR A 35 1.087 4.364 -11.775 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.408 4.307 -10.509 1.00 0.00 C ATOM 513 CE2 TYR A 35 0.330 5.541 -11.693 1.00 0.00 C ATOM 514 CZ TYR A 35 -0.925 5.515 -11.057 1.00 0.00 C ATOM 515 OH TYR A 35 -1.690 6.635 -11.010 1.00 0.00 O ATOM 0 H TYR A 35 0.813 0.995 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 35 3.222 1.002 -10.620 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.005 1.950 -12.263 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.774 1.053 -11.397 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.996 2.217 -10.127 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.042 4.378 -12.280 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.380 4.283 -10.040 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.707 6.461 -12.115 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.208 7.378 -11.430 1.00 0.00 H new ATOM 525 N ASP A 36 3.940 3.492 -10.572 1.00 0.00 N ATOM 526 CA ASP A 36 4.698 4.692 -10.281 1.00 0.00 C ATOM 527 C ASP A 36 3.796 5.924 -10.230 1.00 0.00 C ATOM 528 O ASP A 36 3.417 6.479 -11.262 1.00 0.00 O ATOM 529 CB ASP A 36 5.798 4.818 -11.318 1.00 0.00 C ATOM 530 CG ASP A 36 6.657 6.054 -11.114 1.00 0.00 C ATOM 531 OD1 ASP A 36 6.813 6.529 -9.973 1.00 0.00 O ATOM 532 OD2 ASP A 36 7.240 6.488 -12.126 1.00 0.00 O ATOM 0 H ASP A 36 4.066 3.152 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 36 5.150 4.621 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.430 3.931 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.352 4.850 -12.312 1.00 0.00 H new ATOM 537 N GLY A 37 3.414 6.318 -9.017 1.00 0.00 N ATOM 538 CA GLY A 37 2.602 7.500 -8.715 1.00 0.00 C ATOM 539 C GLY A 37 1.301 7.183 -7.966 1.00 0.00 C ATOM 540 O GLY A 37 0.544 8.098 -7.629 1.00 0.00 O ATOM 0 H GLY A 37 3.673 5.800 -8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.194 8.193 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.359 8.010 -9.647 1.00 0.00 H new ATOM 544 N MET A 38 1.021 5.904 -7.700 1.00 0.00 N ATOM 545 CA MET A 38 -0.188 5.389 -7.063 1.00 0.00 C ATOM 546 C MET A 38 -0.426 5.957 -5.652 1.00 0.00 C ATOM 547 O MET A 38 -1.572 6.229 -5.283 1.00 0.00 O ATOM 548 CB MET A 38 -0.041 3.858 -7.019 1.00 0.00 C ATOM 549 CG MET A 38 -1.310 3.076 -7.274 1.00 0.00 C ATOM 550 SD MET A 38 -2.421 2.891 -5.880 1.00 0.00 S ATOM 551 CE MET A 38 -1.458 1.722 -4.879 1.00 0.00 C ATOM 0 H MET A 38 1.674 5.158 -7.939 1.00 0.00 H new ATOM 0 HA MET A 38 -1.059 5.699 -7.640 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.703 3.560 -7.757 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.349 3.576 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.855 3.562 -8.084 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.035 2.082 -7.627 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.019 1.464 -3.981 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.266 0.819 -5.458 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.510 2.180 -4.596 1.00 0.00 H new ATOM 561 N PHE A 39 0.642 6.154 -4.868 1.00 0.00 N ATOM 562 CA PHE A 39 0.596 6.673 -3.497 1.00 0.00 C ATOM 563 C PHE A 39 1.028 8.140 -3.411 1.00 0.00 C ATOM 564 O PHE A 39 1.293 8.637 -2.315 1.00 0.00 O ATOM 565 CB PHE A 39 1.503 5.840 -2.579 1.00 0.00 C ATOM 566 CG PHE A 39 1.183 4.367 -2.481 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.034 3.926 -1.936 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.142 3.432 -2.885 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.277 2.550 -1.795 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.917 2.060 -2.726 1.00 0.00 C ATOM 571 CZ PHE A 39 0.703 1.613 -2.179 1.00 0.00 C ATOM 0 H PHE A 39 1.591 5.950 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.443 6.602 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.531 5.945 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.461 6.267 -1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.780 4.643 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.067 3.773 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.219 2.209 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.673 1.348 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.521 0.556 -2.053 1.00 0.00 H new ATOM 581 N SER A 40 1.151 8.832 -4.544 1.00 0.00 N ATOM 582 CA SER A 40 1.725 10.165 -4.613 1.00 0.00 C ATOM 583 C SER A 40 0.744 11.122 -3.943 1.00 0.00 C ATOM 584 O SER A 40 -0.194 11.576 -4.593 1.00 0.00 O ATOM 585 CB SER A 40 2.027 10.509 -6.081 1.00 0.00 C ATOM 586 OG SER A 40 2.623 11.787 -6.263 1.00 0.00 O ATOM 0 H SER A 40 0.849 8.472 -5.449 1.00 0.00 H new ATOM 0 HA SER A 40 2.675 10.240 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.690 9.748 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.099 10.467 -6.652 1.00 0.00 H new ATOM 0 HG SER A 40 2.788 11.938 -7.217 1.00 0.00 H new ATOM 592 N GLY A 41 0.945 11.397 -2.653 1.00 0.00 N ATOM 593 CA GLY A 41 0.058 12.209 -1.834 1.00 0.00 C ATOM 594 C GLY A 41 -0.329 11.544 -0.510 1.00 0.00 C ATOM 595 O GLY A 41 -0.954 12.211 0.314 1.00 0.00 O ATOM 0 H GLY A 41 1.754 11.048 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.542 13.163 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.847 12.428 -2.400 1.00 0.00 H new ATOM 599 N CYS A 42 0.028 10.278 -0.251 1.00 0.00 N ATOM 600 CA CYS A 42 -0.197 9.608 1.037 1.00 0.00 C ATOM 601 C CYS A 42 0.805 10.130 2.083 1.00 0.00 C ATOM 602 O CYS A 42 1.728 9.428 2.503 1.00 0.00 O ATOM 603 CB CYS A 42 -0.062 8.088 0.869 1.00 0.00 C ATOM 604 SG CYS A 42 -1.244 7.423 -0.339 1.00 0.00 S ATOM 0 H CYS A 42 0.488 9.683 -0.940 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.206 9.829 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.953 7.848 0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.218 7.603 1.832 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.455 7.719 0.031 1.00 0.00 H new ATOM 610 N THR A 43 0.632 11.375 2.511 1.00 0.00 N ATOM 611 CA THR A 43 1.596 12.122 3.300 1.00 0.00 C ATOM 612 C THR A 43 1.801 11.584 4.723 1.00 0.00 C ATOM 613 O THR A 43 2.785 11.977 5.342 1.00 0.00 O ATOM 614 CB THR A 43 1.199 13.613 3.271 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.210 13.793 3.294 1.00 0.00 O ATOM 616 CG2 THR A 43 1.685 14.243 1.964 1.00 0.00 C ATOM 0 H THR A 43 -0.214 11.908 2.310 1.00 0.00 H new ATOM 0 HA THR A 43 2.578 11.995 2.845 1.00 0.00 H new ATOM 0 HB THR A 43 1.647 14.073 4.152 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.418 14.751 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.405 15.296 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.769 14.154 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.227 13.728 1.120 1.00 0.00 H new ATOM 624 N ALA A 44 0.964 10.657 5.214 1.00 0.00 N ATOM 625 CA ALA A 44 1.045 10.086 6.557 1.00 0.00 C ATOM 626 C ALA A 44 1.404 8.592 6.519 1.00 0.00 C ATOM 627 O ALA A 44 1.055 7.853 7.432 1.00 0.00 O ATOM 628 CB ALA A 44 -0.283 10.334 7.287 1.00 0.00 C ATOM 0 H ALA A 44 0.191 10.276 4.667 1.00 0.00 H new ATOM 0 HA ALA A 44 1.849 10.577 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.231 9.911 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.466 11.406 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.095 9.861 6.735 1.00 0.00 H new ATOM 634 N LEU A 45 1.953 8.085 5.407 1.00 0.00 N ATOM 635 CA LEU A 45 2.189 6.650 5.257 1.00 0.00 C ATOM 636 C LEU A 45 3.469 6.288 6.011 1.00 0.00 C ATOM 637 O LEU A 45 4.538 6.804 5.695 1.00 0.00 O ATOM 638 CB LEU A 45 2.232 6.264 3.767 1.00 0.00 C ATOM 639 CG LEU A 45 1.600 4.888 3.436 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.383 4.722 1.925 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.851 3.567 4.158 1.00 0.00 C ATOM 0 H LEU A 45 2.239 8.646 4.605 1.00 0.00 H new ATOM 0 HA LEU A 45 1.370 6.075 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.717 7.033 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.271 6.261 3.436 1.00 0.00 H new ATOM 0 HG LEU A 45 0.715 5.064 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.939 3.747 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.716 5.505 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.341 4.796 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.260 2.779 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.909 3.313 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.563 3.664 5.205 1.00 0.00 H new ATOM 653 N GLU A 46 3.356 5.407 7.002 1.00 0.00 N ATOM 654 CA GLU A 46 4.450 4.936 7.847 1.00 0.00 C ATOM 655 C GLU A 46 4.576 3.407 7.844 1.00 0.00 C ATOM 656 O GLU A 46 5.609 2.887 8.243 1.00 0.00 O ATOM 657 CB GLU A 46 4.230 5.374 9.306 1.00 0.00 C ATOM 658 CG GLU A 46 4.102 6.887 9.539 1.00 0.00 C ATOM 659 CD GLU A 46 3.889 7.212 11.023 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.539 6.586 11.896 1.00 0.00 O ATOM 661 OE2 GLU A 46 3.063 8.093 11.348 1.00 0.00 O ATOM 0 H GLU A 46 2.461 4.984 7.248 1.00 0.00 H new ATOM 0 HA GLU A 46 5.359 5.373 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.327 4.891 9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.061 5.002 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.001 7.388 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.267 7.276 8.957 1.00 0.00 H new ATOM 668 N LYS A 47 3.545 2.674 7.419 1.00 0.00 N ATOM 669 CA LYS A 47 3.415 1.216 7.470 1.00 0.00 C ATOM 670 C LYS A 47 2.514 0.712 6.349 1.00 0.00 C ATOM 671 O LYS A 47 1.503 1.332 6.017 1.00 0.00 O ATOM 672 CB LYS A 47 2.704 0.770 8.758 1.00 0.00 C ATOM 673 CG LYS A 47 3.566 0.410 9.970 1.00 0.00 C ATOM 674 CD LYS A 47 2.705 -0.520 10.834 1.00 0.00 C ATOM 675 CE LYS A 47 3.325 -0.967 12.149 1.00 0.00 C ATOM 676 NZ LYS A 47 2.346 -1.772 12.908 1.00 0.00 N ATOM 0 H LYS A 47 2.724 3.112 7.002 1.00 0.00 H new ATOM 0 HA LYS A 47 4.429 0.822 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.025 1.568 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.090 -0.097 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.487 -0.084 9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.854 1.303 10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.764 -0.015 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.463 -1.407 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.224 -1.553 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.629 -0.099 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.391 -1.515 13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.389 -1.586 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.568 -2.782 12.798 1.00 0.00 H new ATOM 690 N LEU A 48 2.775 -0.498 5.897 1.00 0.00 N ATOM 691 CA LEU A 48 2.077 -1.246 4.876 1.00 0.00 C ATOM 692 C LEU A 48 2.280 -2.706 5.268 1.00 0.00 C ATOM 693 O LEU A 48 3.325 -3.044 5.815 1.00 0.00 O ATOM 694 CB LEU A 48 2.710 -0.907 3.518 1.00 0.00 C ATOM 695 CG LEU A 48 2.001 -1.576 2.330 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.547 -0.545 1.293 1.00 0.00 C ATOM 697 CD2 LEU A 48 2.923 -2.583 1.652 1.00 0.00 C ATOM 0 H LEU A 48 3.558 -1.032 6.274 1.00 0.00 H new ATOM 0 HA LEU A 48 1.014 -1.020 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.695 0.174 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.756 -1.213 3.527 1.00 0.00 H new ATOM 0 HG LEU A 48 1.124 -2.087 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.050 -1.054 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.854 0.157 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.414 -0.003 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.403 -3.046 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.815 -2.072 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.212 -3.352 2.369 1.00 0.00 H new ATOM 709 N ILE A 49 1.302 -3.570 5.031 1.00 0.00 N ATOM 710 CA ILE A 49 1.297 -4.957 5.480 1.00 0.00 C ATOM 711 C ILE A 49 0.929 -5.788 4.264 1.00 0.00 C ATOM 712 O ILE A 49 0.089 -5.364 3.467 1.00 0.00 O ATOM 713 CB ILE A 49 0.319 -5.173 6.664 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.598 -4.198 7.824 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.441 -6.608 7.216 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.289 -2.953 7.841 1.00 0.00 C ATOM 0 H ILE A 49 0.465 -3.318 4.505 1.00 0.00 H new ATOM 0 HA ILE A 49 2.272 -5.254 5.867 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.683 -4.995 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.471 -4.731 8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.641 -3.884 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.253 -6.739 8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.203 -7.322 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.460 -6.778 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.020 -2.327 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.146 -2.392 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.334 -3.252 7.926 1.00 0.00 H new ATOM 728 N LEU A 50 1.555 -6.954 4.103 1.00 0.00 N ATOM 729 CA LEU A 50 1.397 -7.756 2.884 1.00 0.00 C ATOM 730 C LEU A 50 0.984 -9.183 3.240 1.00 0.00 C ATOM 731 O LEU A 50 1.782 -9.905 3.839 1.00 0.00 O ATOM 732 CB LEU A 50 2.703 -7.742 2.067 1.00 0.00 C ATOM 733 CG LEU A 50 3.114 -6.374 1.483 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.470 -6.502 0.788 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.102 -5.776 0.531 1.00 0.00 C ATOM 0 H LEU A 50 2.176 -7.366 4.799 1.00 0.00 H new ATOM 0 HA LEU A 50 0.609 -7.320 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.511 -8.102 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.603 -8.452 1.246 1.00 0.00 H new ATOM 0 HG LEU A 50 3.172 -5.686 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.760 -5.536 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.219 -6.828 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.399 -7.233 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.468 -4.816 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.952 -6.451 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.155 -5.630 1.051 1.00 0.00 H new ATOM 747 N THR A 51 -0.221 -9.613 2.852 1.00 0.00 N ATOM 748 CA THR A 51 -0.773 -10.929 3.200 1.00 0.00 C ATOM 749 C THR A 51 -0.280 -12.072 2.288 1.00 0.00 C ATOM 750 O THR A 51 -0.863 -13.156 2.286 1.00 0.00 O ATOM 751 CB THR A 51 -2.312 -10.870 3.259 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.842 -10.593 1.982 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.830 -9.807 4.227 1.00 0.00 C ATOM 0 H THR A 51 -0.850 -9.050 2.279 1.00 0.00 H new ATOM 0 HA THR A 51 -0.392 -11.172 4.192 1.00 0.00 H new ATOM 0 HB THR A 51 -2.637 -11.848 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.820 -10.560 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.920 -9.813 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.468 -10.023 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.472 -8.826 3.915 1.00 0.00 H new ATOM 761 N GLY A 52 0.751 -11.854 1.461 1.00 0.00 N ATOM 762 CA GLY A 52 1.299 -12.906 0.602 1.00 0.00 C ATOM 763 C GLY A 52 2.503 -13.557 1.281 1.00 0.00 C ATOM 764 O GLY A 52 2.946 -13.105 2.339 1.00 0.00 O ATOM 0 H GLY A 52 1.222 -10.954 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.535 -13.657 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.596 -12.485 -0.359 1.00 0.00 H new ATOM 768 N GLU A 53 3.057 -14.600 0.666 1.00 0.00 N ATOM 769 CA GLU A 53 4.102 -15.434 1.261 1.00 0.00 C ATOM 770 C GLU A 53 5.259 -15.665 0.265 1.00 0.00 C ATOM 771 O GLU A 53 6.027 -16.618 0.413 1.00 0.00 O ATOM 772 CB GLU A 53 3.464 -16.726 1.826 1.00 0.00 C ATOM 773 CG GLU A 53 2.634 -16.450 3.094 1.00 0.00 C ATOM 774 CD GLU A 53 2.073 -17.722 3.737 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.820 -18.432 4.448 1.00 0.00 O ATOM 776 OE2 GLU A 53 0.861 -18.001 3.578 1.00 0.00 O ATOM 0 H GLU A 53 2.789 -14.895 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 53 4.566 -14.924 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.827 -17.178 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.248 -17.448 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.256 -15.927 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.809 -15.784 2.842 1.00 0.00 H new ATOM 783 N ASP A 54 5.385 -14.820 -0.769 1.00 0.00 N ATOM 784 CA ASP A 54 6.498 -14.819 -1.725 1.00 0.00 C ATOM 785 C ASP A 54 6.548 -13.464 -2.440 1.00 0.00 C ATOM 786 O ASP A 54 5.489 -12.890 -2.708 1.00 0.00 O ATOM 787 CB ASP A 54 6.283 -15.936 -2.756 1.00 0.00 C ATOM 788 CG ASP A 54 7.570 -16.278 -3.497 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.942 -15.523 -4.423 1.00 0.00 O ATOM 790 OD2 ASP A 54 8.227 -17.279 -3.125 1.00 0.00 O ATOM 0 H ASP A 54 4.693 -14.097 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 54 7.437 -14.988 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.905 -16.827 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.522 -15.627 -3.473 1.00 0.00 H new ATOM 795 N PRO A 55 7.735 -12.932 -2.776 1.00 0.00 N ATOM 796 CA PRO A 55 7.865 -11.675 -3.512 1.00 0.00 C ATOM 797 C PRO A 55 7.347 -11.756 -4.953 1.00 0.00 C ATOM 798 O PRO A 55 6.919 -10.742 -5.518 1.00 0.00 O ATOM 799 CB PRO A 55 9.354 -11.341 -3.476 1.00 0.00 C ATOM 800 CG PRO A 55 10.041 -12.679 -3.222 1.00 0.00 C ATOM 801 CD PRO A 55 9.038 -13.440 -2.379 1.00 0.00 C ATOM 0 HA PRO A 55 7.252 -10.900 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.684 -10.898 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.581 -10.623 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.259 -13.201 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.989 -12.550 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.111 -14.513 -2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.215 -13.278 -1.316 1.00 0.00 H new ATOM 809 N SER A 56 7.331 -12.952 -5.541 1.00 0.00 N ATOM 810 CA SER A 56 6.675 -13.209 -6.822 1.00 0.00 C ATOM 811 C SER A 56 5.152 -13.032 -6.738 1.00 0.00 C ATOM 812 O SER A 56 4.493 -13.000 -7.778 1.00 0.00 O ATOM 813 CB SER A 56 6.990 -14.624 -7.314 1.00 0.00 C ATOM 814 OG SER A 56 8.354 -14.770 -7.676 1.00 0.00 O ATOM 0 H SER A 56 7.777 -13.776 -5.138 1.00 0.00 H new ATOM 0 HA SER A 56 7.066 -12.476 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.744 -15.343 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.360 -14.858 -8.172 1.00 0.00 H new ATOM 0 HG SER A 56 8.515 -15.687 -7.983 1.00 0.00 H new ATOM 820 N ALA A 57 4.563 -12.913 -5.543 1.00 0.00 N ATOM 821 CA ALA A 57 3.132 -12.691 -5.383 1.00 0.00 C ATOM 822 C ALA A 57 2.726 -11.225 -5.607 1.00 0.00 C ATOM 823 O ALA A 57 1.540 -10.900 -5.498 1.00 0.00 O ATOM 824 CB ALA A 57 2.693 -13.194 -4.009 1.00 0.00 C ATOM 0 H ALA A 57 5.072 -12.969 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 57 2.614 -13.258 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.623 -13.029 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.908 -14.259 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.235 -12.653 -3.233 1.00 0.00 H new ATOM 830 N TYR A 58 3.678 -10.332 -5.892 1.00 0.00 N ATOM 831 CA TYR A 58 3.464 -8.899 -6.033 1.00 0.00 C ATOM 832 C TYR A 58 4.245 -8.358 -7.226 1.00 0.00 C ATOM 833 O TYR A 58 5.056 -9.052 -7.843 1.00 0.00 O ATOM 834 CB TYR A 58 3.897 -8.188 -4.743 1.00 0.00 C ATOM 835 CG TYR A 58 2.972 -8.442 -3.572 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.181 -9.554 -2.738 1.00 0.00 C ATOM 837 CD2 TYR A 58 1.926 -7.539 -3.297 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.339 -9.782 -1.639 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.086 -7.754 -2.192 1.00 0.00 C ATOM 840 CZ TYR A 58 1.279 -8.889 -1.368 1.00 0.00 C ATOM 841 OH TYR A 58 0.455 -9.102 -0.307 1.00 0.00 O ATOM 0 H TYR A 58 4.651 -10.602 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 58 2.404 -8.712 -6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.903 -8.514 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.948 -7.115 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.993 -10.236 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.770 -6.682 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.501 -10.639 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.294 -7.054 -1.971 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.057 -8.287 -0.122 1.00 0.00 H new ATOM 851 N SER A 59 3.976 -7.101 -7.575 1.00 0.00 N ATOM 852 CA SER A 59 4.650 -6.369 -8.635 1.00 0.00 C ATOM 853 C SER A 59 4.517 -4.857 -8.383 1.00 0.00 C ATOM 854 O SER A 59 3.484 -4.412 -7.863 1.00 0.00 O ATOM 855 CB SER A 59 3.998 -6.737 -9.973 1.00 0.00 C ATOM 856 OG SER A 59 3.976 -8.137 -10.216 1.00 0.00 O ATOM 0 H SER A 59 3.257 -6.549 -7.108 1.00 0.00 H new ATOM 0 HA SER A 59 5.708 -6.629 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.977 -6.355 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.537 -6.242 -10.781 1.00 0.00 H new ATOM 0 HG SER A 59 3.548 -8.312 -11.080 1.00 0.00 H new ATOM 862 N ALA A 60 5.504 -4.063 -8.800 1.00 0.00 N ATOM 863 CA ALA A 60 5.618 -2.615 -8.608 1.00 0.00 C ATOM 864 C ALA A 60 6.146 -1.960 -9.874 1.00 0.00 C ATOM 865 O ALA A 60 6.757 -2.629 -10.708 1.00 0.00 O ATOM 866 CB ALA A 60 6.571 -2.340 -7.449 1.00 0.00 C ATOM 0 H ALA A 60 6.299 -4.439 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 60 4.635 -2.201 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.661 -1.264 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.182 -2.801 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.551 -2.758 -7.677 1.00 0.00 H new ATOM 872 N GLY A 61 5.881 -0.663 -10.004 1.00 0.00 N ATOM 873 CA GLY A 61 6.352 0.168 -11.088 1.00 0.00 C ATOM 874 C GLY A 61 7.733 0.689 -10.731 1.00 0.00 C ATOM 875 O GLY A 61 8.382 0.217 -9.793 1.00 0.00 O ATOM 0 H GLY A 61 5.312 -0.152 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.391 -0.405 -12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.665 0.998 -11.255 1.00 0.00 H new ATOM 879 N ASP A 62 8.171 1.686 -11.492 1.00 0.00 N ATOM 880 CA ASP A 62 9.487 2.284 -11.313 1.00 0.00 C ATOM 881 C ASP A 62 9.593 3.003 -9.963 1.00 0.00 C ATOM 882 O ASP A 62 10.686 3.116 -9.405 1.00 0.00 O ATOM 883 CB ASP A 62 9.785 3.252 -12.463 1.00 0.00 C ATOM 884 CG ASP A 62 11.267 3.606 -12.452 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.081 2.668 -12.618 1.00 0.00 O ATOM 886 OD2 ASP A 62 11.629 4.788 -12.249 1.00 0.00 O ATOM 0 H ASP A 62 7.625 2.101 -12.247 1.00 0.00 H new ATOM 0 HA ASP A 62 10.228 1.485 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.515 2.797 -13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.183 4.155 -12.359 1.00 0.00 H new ATOM 891 N GLY A 63 8.453 3.424 -9.407 1.00 0.00 N ATOM 892 CA GLY A 63 8.334 4.145 -8.158 1.00 0.00 C ATOM 893 C GLY A 63 7.216 3.553 -7.305 1.00 0.00 C ATOM 894 O GLY A 63 6.155 4.172 -7.168 1.00 0.00 O ATOM 0 H GLY A 63 7.548 3.257 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.277 4.100 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.130 5.197 -8.356 1.00 0.00 H new ATOM 898 N LEU A 64 7.460 2.373 -6.716 1.00 0.00 N ATOM 899 CA LEU A 64 6.553 1.671 -5.794 1.00 0.00 C ATOM 900 C LEU A 64 5.954 2.644 -4.774 1.00 0.00 C ATOM 901 O LEU A 64 4.805 2.479 -4.397 1.00 0.00 O ATOM 902 CB LEU A 64 7.331 0.595 -5.004 1.00 0.00 C ATOM 903 CG LEU A 64 6.635 0.119 -3.702 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.334 -0.635 -3.977 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.519 -0.806 -2.894 1.00 0.00 C ATOM 0 H LEU A 64 8.328 1.861 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 64 5.762 1.219 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.490 -0.267 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.315 0.990 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 64 6.427 1.033 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.887 -0.946 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.641 0.017 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.545 -1.514 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.993 -1.115 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.766 -1.685 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.436 -0.285 -2.619 1.00 0.00 H new ATOM 917 N ARG A 65 6.743 3.585 -4.243 1.00 0.00 N ATOM 918 CA ARG A 65 6.335 4.475 -3.159 1.00 0.00 C ATOM 919 C ARG A 65 6.535 5.947 -3.538 1.00 0.00 C ATOM 920 O ARG A 65 6.701 6.773 -2.642 1.00 0.00 O ATOM 921 CB ARG A 65 7.054 4.066 -1.855 1.00 0.00 C ATOM 922 CG ARG A 65 8.584 4.237 -1.884 1.00 0.00 C ATOM 923 CD ARG A 65 9.118 5.123 -0.755 1.00 0.00 C ATOM 924 NE ARG A 65 10.379 5.770 -1.139 1.00 0.00 N ATOM 925 CZ ARG A 65 10.529 6.885 -1.865 1.00 0.00 C ATOM 926 NH1 ARG A 65 9.495 7.664 -2.179 1.00 0.00 N ATOM 927 NH2 ARG A 65 11.739 7.205 -2.297 1.00 0.00 N ATOM 0 H ARG A 65 7.698 3.749 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 65 5.265 4.370 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.651 4.658 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.822 3.023 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.053 3.255 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.876 4.667 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.378 5.883 -0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.273 4.521 0.141 1.00 0.00 H new ATOM 0 HE ARG A 65 11.236 5.320 -0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.557 7.417 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.642 8.507 -2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.535 6.606 -2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.876 8.050 -2.852 1.00 0.00 H new ATOM 941 N ASP A 66 6.553 6.290 -4.830 1.00 0.00 N ATOM 942 CA ASP A 66 6.743 7.673 -5.291 1.00 0.00 C ATOM 943 C ASP A 66 5.767 8.622 -4.591 1.00 0.00 C ATOM 944 O ASP A 66 4.551 8.407 -4.637 1.00 0.00 O ATOM 945 CB ASP A 66 6.599 7.785 -6.816 1.00 0.00 C ATOM 946 CG ASP A 66 6.977 9.186 -7.306 1.00 0.00 C ATOM 947 OD1 ASP A 66 6.135 10.110 -7.270 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.163 9.381 -7.671 1.00 0.00 O ATOM 0 H ASP A 66 6.436 5.617 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 66 7.760 7.966 -5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.235 7.044 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.572 7.561 -7.105 1.00 0.00 H new ATOM 953 N GLY A 67 6.286 9.637 -3.898 1.00 0.00 N ATOM 954 CA GLY A 67 5.458 10.625 -3.227 1.00 0.00 C ATOM 955 C GLY A 67 4.809 10.126 -1.929 1.00 0.00 C ATOM 956 O GLY A 67 3.915 10.804 -1.410 1.00 0.00 O ATOM 0 H GLY A 67 7.288 9.792 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.067 11.500 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.674 10.950 -3.911 1.00 0.00 H new ATOM 960 N ALA A 68 5.252 8.985 -1.392 1.00 0.00 N ATOM 961 CA ALA A 68 5.034 8.525 -0.026 1.00 0.00 C ATOM 962 C ALA A 68 6.377 8.029 0.533 1.00 0.00 C ATOM 963 O ALA A 68 7.374 8.020 -0.193 1.00 0.00 O ATOM 964 CB ALA A 68 3.969 7.424 -0.018 1.00 0.00 C ATOM 0 H ALA A 68 5.805 8.322 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 68 4.668 9.334 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.807 7.081 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.036 7.818 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.305 6.588 -0.632 1.00 0.00 H new ATOM 970 N ASP A 69 6.447 7.630 1.804 1.00 0.00 N ATOM 971 CA ASP A 69 7.690 7.162 2.424 1.00 0.00 C ATOM 972 C ASP A 69 7.376 6.222 3.592 1.00 0.00 C ATOM 973 O ASP A 69 7.431 6.619 4.756 1.00 0.00 O ATOM 974 CB ASP A 69 8.540 8.364 2.867 1.00 0.00 C ATOM 975 CG ASP A 69 9.880 7.920 3.443 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.540 7.049 2.831 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.301 8.469 4.486 1.00 0.00 O ATOM 0 H ASP A 69 5.644 7.622 2.433 1.00 0.00 H new ATOM 0 HA ASP A 69 8.271 6.596 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.709 9.024 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.995 8.941 3.614 1.00 0.00 H new ATOM 982 N PHE A 70 6.994 4.976 3.286 1.00 0.00 N ATOM 983 CA PHE A 70 6.369 4.045 4.232 1.00 0.00 C ATOM 984 C PHE A 70 7.200 2.770 4.416 1.00 0.00 C ATOM 985 O PHE A 70 8.131 2.494 3.654 1.00 0.00 O ATOM 986 CB PHE A 70 4.950 3.745 3.724 1.00 0.00 C ATOM 987 CG PHE A 70 4.886 2.973 2.411 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.136 1.582 2.354 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.590 3.669 1.224 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.047 0.908 1.122 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.474 2.984 0.003 1.00 0.00 C ATOM 992 CZ PHE A 70 4.707 1.602 -0.051 1.00 0.00 C ATOM 0 H PHE A 70 7.114 4.579 2.354 1.00 0.00 H new ATOM 0 HA PHE A 70 6.317 4.499 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.419 3.177 4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.418 4.688 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.394 1.040 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.451 4.740 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.242 -0.153 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.205 3.522 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.625 1.074 -0.990 1.00 0.00 H new ATOM 1002 N LEU A 71 6.805 1.955 5.391 1.00 0.00 N ATOM 1003 CA LEU A 71 7.463 0.707 5.800 1.00 0.00 C ATOM 1004 C LEU A 71 6.570 -0.493 5.481 1.00 0.00 C ATOM 1005 O LEU A 71 5.382 -0.316 5.261 1.00 0.00 O ATOM 1006 CB LEU A 71 7.752 0.823 7.298 1.00 0.00 C ATOM 1007 CG LEU A 71 8.564 -0.259 8.011 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.009 -0.343 7.555 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.597 0.088 9.495 1.00 0.00 C ATOM 0 H LEU A 71 5.975 2.154 5.949 1.00 0.00 H new ATOM 0 HA LEU A 71 8.395 0.551 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.268 1.770 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.791 0.895 7.808 1.00 0.00 H new ATOM 0 HG LEU A 71 8.084 -1.212 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.519 -1.133 8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.042 -0.565 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.506 0.609 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.171 -0.667 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.065 1.063 9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.579 0.116 9.885 1.00 0.00 H new ATOM 1021 N ILE A 72 7.135 -1.693 5.416 1.00 0.00 N ATOM 1022 CA ILE A 72 6.570 -2.908 4.802 1.00 0.00 C ATOM 1023 C ILE A 72 6.691 -4.101 5.780 1.00 0.00 C ATOM 1024 O ILE A 72 7.783 -4.637 5.965 1.00 0.00 O ATOM 1025 CB ILE A 72 7.233 -3.166 3.422 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.187 -1.924 2.497 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.572 -4.337 2.668 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.222 -2.007 1.385 1.00 0.00 C ATOM 0 H ILE A 72 8.059 -1.863 5.813 1.00 0.00 H new ATOM 0 HA ILE A 72 5.505 -2.773 4.611 1.00 0.00 H new ATOM 0 HB ILE A 72 8.270 -3.410 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.192 -1.833 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.360 -1.025 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.070 -4.479 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.660 -5.247 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.518 -4.113 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.156 -1.117 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.219 -2.072 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.033 -2.892 0.778 1.00 0.00 H new ATOM 1040 N CYS A 73 5.595 -4.523 6.420 1.00 0.00 N ATOM 1041 CA CYS A 73 5.521 -5.608 7.405 1.00 0.00 C ATOM 1042 C CYS A 73 5.115 -6.958 6.794 1.00 0.00 C ATOM 1043 O CYS A 73 3.954 -7.127 6.407 1.00 0.00 O ATOM 1044 CB CYS A 73 4.551 -5.219 8.536 1.00 0.00 C ATOM 1045 SG CYS A 73 4.884 -3.555 9.195 1.00 0.00 S ATOM 0 H CYS A 73 4.685 -4.093 6.255 1.00 0.00 H new ATOM 0 HA CYS A 73 6.526 -5.743 7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.527 -5.261 8.164 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.627 -5.948 9.343 1.00 0.00 H new ATOM 0 HG CYS A 73 4.035 -3.285 10.141 1.00 0.00 H new ATOM 1051 N VAL A 74 6.049 -7.900 6.629 1.00 0.00 N ATOM 1052 CA VAL A 74 5.826 -9.197 5.958 1.00 0.00 C ATOM 1053 C VAL A 74 5.952 -10.328 6.988 1.00 0.00 C ATOM 1054 O VAL A 74 6.602 -10.117 8.010 1.00 0.00 O ATOM 1055 CB VAL A 74 6.818 -9.365 4.783 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.709 -8.178 3.815 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.287 -9.518 5.206 1.00 0.00 C ATOM 0 H VAL A 74 7.006 -7.785 6.964 1.00 0.00 H new ATOM 0 HA VAL A 74 4.821 -9.234 5.538 1.00 0.00 H new ATOM 0 HB VAL A 74 6.527 -10.298 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.414 -8.312 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.695 -8.124 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.941 -7.254 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.911 -9.630 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.600 -8.633 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.394 -10.399 5.839 1.00 0.00 H new ATOM 1067 N PRO A 75 5.359 -11.520 6.801 1.00 0.00 N ATOM 1068 CA PRO A 75 5.506 -12.575 7.795 1.00 0.00 C ATOM 1069 C PRO A 75 6.969 -13.031 7.832 1.00 0.00 C ATOM 1070 O PRO A 75 7.671 -12.983 6.821 1.00 0.00 O ATOM 1071 CB PRO A 75 4.535 -13.679 7.372 1.00 0.00 C ATOM 1072 CG PRO A 75 4.402 -13.494 5.862 1.00 0.00 C ATOM 1073 CD PRO A 75 4.601 -11.992 5.650 1.00 0.00 C ATOM 0 HA PRO A 75 5.268 -12.255 8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.921 -14.667 7.621 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.572 -13.578 7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.150 -14.075 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.425 -13.821 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.139 -11.797 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.643 -11.478 5.577 1.00 0.00 H new ATOM 1081 N GLU A 76 7.424 -13.520 8.984 1.00 0.00 N ATOM 1082 CA GLU A 76 8.782 -14.031 9.171 1.00 0.00 C ATOM 1083 C GLU A 76 9.112 -15.171 8.199 1.00 0.00 C ATOM 1084 O GLU A 76 10.254 -15.309 7.755 1.00 0.00 O ATOM 1085 CB GLU A 76 8.961 -14.461 10.633 1.00 0.00 C ATOM 1086 CG GLU A 76 7.988 -15.570 11.064 1.00 0.00 C ATOM 1087 CD GLU A 76 7.999 -15.779 12.573 1.00 0.00 C ATOM 1088 OE1 GLU A 76 7.798 -14.805 13.338 1.00 0.00 O ATOM 1089 OE2 GLU A 76 8.144 -16.932 13.027 1.00 0.00 O ATOM 0 H GLU A 76 6.852 -13.573 9.827 1.00 0.00 H new ATOM 0 HA GLU A 76 9.489 -13.233 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.984 -14.807 10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.822 -13.594 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.979 -15.314 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.256 -16.502 10.566 1.00 0.00 H new ATOM 1096 N GLU A 77 8.099 -15.956 7.822 1.00 0.00 N ATOM 1097 CA GLU A 77 8.169 -16.984 6.799 1.00 0.00 C ATOM 1098 C GLU A 77 8.569 -16.414 5.437 1.00 0.00 C ATOM 1099 O GLU A 77 9.270 -17.080 4.677 1.00 0.00 O ATOM 1100 CB GLU A 77 6.800 -17.670 6.724 1.00 0.00 C ATOM 1101 CG GLU A 77 6.619 -18.751 7.794 1.00 0.00 C ATOM 1102 CD GLU A 77 5.519 -19.742 7.407 1.00 0.00 C ATOM 1103 OE1 GLU A 77 5.772 -20.587 6.512 1.00 0.00 O ATOM 1104 OE2 GLU A 77 4.441 -19.761 8.044 1.00 0.00 O ATOM 0 H GLU A 77 7.173 -15.884 8.243 1.00 0.00 H new ATOM 0 HA GLU A 77 8.942 -17.704 7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.016 -16.920 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.676 -18.117 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.558 -19.285 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.371 -18.284 8.747 1.00 0.00 H new ATOM 1111 N ALA A 78 8.173 -15.184 5.119 1.00 0.00 N ATOM 1112 CA ALA A 78 8.465 -14.564 3.838 1.00 0.00 C ATOM 1113 C ALA A 78 9.709 -13.672 3.903 1.00 0.00 C ATOM 1114 O ALA A 78 10.135 -13.167 2.868 1.00 0.00 O ATOM 1115 CB ALA A 78 7.243 -13.769 3.382 1.00 0.00 C ATOM 0 H ALA A 78 7.637 -14.589 5.750 1.00 0.00 H new ATOM 0 HA ALA A 78 8.684 -15.348 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.452 -13.300 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.390 -14.440 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.014 -13.000 4.119 1.00 0.00 H new ATOM 1121 N LEU A 79 10.292 -13.449 5.083 1.00 0.00 N ATOM 1122 CA LEU A 79 11.251 -12.369 5.292 1.00 0.00 C ATOM 1123 C LEU A 79 12.494 -12.539 4.414 1.00 0.00 C ATOM 1124 O LEU A 79 12.887 -11.612 3.706 1.00 0.00 O ATOM 1125 CB LEU A 79 11.606 -12.270 6.785 1.00 0.00 C ATOM 1126 CG LEU A 79 12.327 -10.961 7.163 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.396 -9.748 7.045 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.821 -11.046 8.609 1.00 0.00 C ATOM 0 H LEU A 79 10.112 -14.011 5.915 1.00 0.00 H new ATOM 0 HA LEU A 79 10.790 -11.429 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.692 -12.355 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.239 -13.115 7.056 1.00 0.00 H new ATOM 0 HG LEU A 79 13.161 -10.835 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.940 -8.844 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.041 -9.660 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.545 -9.876 7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.330 -10.120 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.972 -11.197 9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.513 -11.882 8.708 1.00 0.00 H new ATOM 1140 N ASP A 80 13.116 -13.722 4.431 1.00 0.00 N ATOM 1141 CA ASP A 80 14.335 -13.964 3.648 1.00 0.00 C ATOM 1142 C ASP A 80 14.002 -14.215 2.173 1.00 0.00 C ATOM 1143 O ASP A 80 14.758 -13.803 1.294 1.00 0.00 O ATOM 1144 CB ASP A 80 15.139 -15.125 4.238 1.00 0.00 C ATOM 1145 CG ASP A 80 16.644 -14.942 4.008 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.307 -14.331 4.883 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.215 -15.535 3.070 1.00 0.00 O ATOM 0 H ASP A 80 12.799 -14.524 4.975 1.00 0.00 H new ATOM 0 HA ASP A 80 14.953 -13.067 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.940 -15.200 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.812 -16.062 3.786 1.00 0.00 H new ATOM 1152 N ARG A 81 12.822 -14.796 1.896 1.00 0.00 N ATOM 1153 CA ARG A 81 12.222 -14.898 0.561 1.00 0.00 C ATOM 1154 C ARG A 81 12.225 -13.518 -0.100 1.00 0.00 C ATOM 1155 O ARG A 81 12.771 -13.355 -1.186 1.00 0.00 O ATOM 1156 CB ARG A 81 10.786 -15.471 0.658 1.00 0.00 C ATOM 1157 CG ARG A 81 10.648 -16.947 0.265 1.00 0.00 C ATOM 1158 CD ARG A 81 9.186 -17.411 0.417 1.00 0.00 C ATOM 1159 NE ARG A 81 9.025 -18.826 0.051 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.196 -19.729 0.591 1.00 0.00 C ATOM 1161 NH1 ARG A 81 7.255 -19.374 1.453 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.337 -21.005 0.263 1.00 0.00 N ATOM 0 H ARG A 81 12.243 -15.220 2.621 1.00 0.00 H new ATOM 0 HA ARG A 81 12.808 -15.581 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.431 -15.348 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.131 -14.878 0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.975 -17.087 -0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.297 -17.559 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.862 -17.262 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.542 -16.797 -0.212 1.00 0.00 H new ATOM 0 HE ARG A 81 9.618 -19.161 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.150 -18.395 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.635 -20.080 1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.068 -21.286 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.715 -21.707 0.664 1.00 0.00 H new ATOM 1176 N TYR A 82 11.647 -12.512 0.555 1.00 0.00 N ATOM 1177 CA TYR A 82 11.579 -11.154 0.033 1.00 0.00 C ATOM 1178 C TYR A 82 12.984 -10.573 -0.177 1.00 0.00 C ATOM 1179 O TYR A 82 13.223 -9.852 -1.150 1.00 0.00 O ATOM 1180 CB TYR A 82 10.770 -10.282 1.006 1.00 0.00 C ATOM 1181 CG TYR A 82 9.259 -10.318 0.824 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.547 -11.526 0.661 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.550 -9.108 0.817 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.157 -11.521 0.442 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.164 -9.095 0.599 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.461 -10.297 0.402 1.00 0.00 C ATOM 1187 OH TYR A 82 5.116 -10.263 0.211 1.00 0.00 O ATOM 0 H TYR A 82 11.210 -12.621 1.470 1.00 0.00 H new ATOM 0 HA TYR A 82 11.084 -11.169 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.002 -10.594 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.105 -9.250 0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.076 -12.466 0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.075 -8.179 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.626 -12.452 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.633 -8.155 0.582 1.00 0.00 H new ATOM 0 HH TYR A 82 4.924 -10.081 -0.733 1.00 0.00 H new ATOM 1197 N ARG A 83 13.928 -10.869 0.724 1.00 0.00 N ATOM 1198 CA ARG A 83 15.293 -10.350 0.638 1.00 0.00 C ATOM 1199 C ARG A 83 16.071 -10.921 -0.544 1.00 0.00 C ATOM 1200 O ARG A 83 16.962 -10.233 -1.049 1.00 0.00 O ATOM 1201 CB ARG A 83 16.037 -10.593 1.958 1.00 0.00 C ATOM 1202 CG ARG A 83 15.568 -9.616 3.049 1.00 0.00 C ATOM 1203 CD ARG A 83 16.260 -9.886 4.390 1.00 0.00 C ATOM 1204 NE ARG A 83 17.709 -9.685 4.277 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.654 -10.446 4.824 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.368 -11.290 5.810 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.896 -10.360 4.369 1.00 0.00 N ATOM 0 H ARG A 83 13.766 -11.473 1.530 1.00 0.00 H new ATOM 0 HA ARG A 83 15.219 -9.277 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.871 -11.618 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.109 -10.479 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.773 -8.593 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.488 -9.701 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.855 -9.223 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.054 -10.907 4.712 1.00 0.00 H new ATOM 0 HE ARG A 83 18.022 -8.885 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.412 -11.362 6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.104 -11.866 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.117 -9.717 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.630 -10.937 4.779 1.00 0.00 H new ATOM 1221 N ARG A 84 15.774 -12.136 -1.016 1.00 0.00 N ATOM 1222 CA ARG A 84 16.483 -12.746 -2.149 1.00 0.00 C ATOM 1223 C ARG A 84 15.873 -12.387 -3.511 1.00 0.00 C ATOM 1224 O ARG A 84 16.354 -12.895 -4.533 1.00 0.00 O ATOM 1225 CB ARG A 84 16.712 -14.244 -1.896 1.00 0.00 C ATOM 1226 CG ARG A 84 15.445 -15.089 -1.931 1.00 0.00 C ATOM 1227 CD ARG A 84 15.744 -16.527 -1.518 1.00 0.00 C ATOM 1228 NE ARG A 84 14.609 -17.382 -1.874 1.00 0.00 N ATOM 1229 CZ ARG A 84 14.326 -18.615 -1.464 1.00 0.00 C ATOM 1230 NH1 ARG A 84 15.061 -19.214 -0.538 1.00 0.00 N ATOM 1231 NH2 ARG A 84 13.273 -19.234 -1.979 1.00 0.00 N ATOM 0 H ARG A 84 15.038 -12.724 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 84 17.477 -12.303 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.408 -14.624 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.189 -14.367 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.698 -14.661 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.020 -15.075 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.648 -16.879 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.929 -16.578 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 84 13.942 -16.974 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.859 -18.729 -0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.829 -20.160 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.696 -18.764 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.040 -20.180 -1.677 1.00 0.00 H new ATOM 1245 N ASP A 85 14.850 -11.525 -3.554 1.00 0.00 N ATOM 1246 CA ASP A 85 14.206 -11.087 -4.796 1.00 0.00 C ATOM 1247 C ASP A 85 15.147 -10.253 -5.667 1.00 0.00 C ATOM 1248 O ASP A 85 15.946 -9.473 -5.154 1.00 0.00 O ATOM 1249 CB ASP A 85 13.006 -10.194 -4.499 1.00 0.00 C ATOM 1250 CG ASP A 85 12.220 -9.926 -5.784 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.640 -10.874 -6.349 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.192 -8.773 -6.269 1.00 0.00 O ATOM 0 H ASP A 85 14.442 -11.108 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 85 13.912 -12.000 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.361 -10.672 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.342 -9.252 -4.066 1.00 0.00 H new ATOM 1257 N TYR A 86 14.997 -10.328 -6.986 1.00 0.00 N ATOM 1258 CA TYR A 86 15.775 -9.554 -7.948 1.00 0.00 C ATOM 1259 C TYR A 86 15.637 -8.041 -7.744 1.00 0.00 C ATOM 1260 O TYR A 86 16.628 -7.320 -7.823 1.00 0.00 O ATOM 1261 CB TYR A 86 15.317 -9.958 -9.358 1.00 0.00 C ATOM 1262 CG TYR A 86 16.259 -9.558 -10.475 1.00 0.00 C ATOM 1263 CD1 TYR A 86 17.305 -10.427 -10.825 1.00 0.00 C ATOM 1264 CD2 TYR A 86 16.068 -8.368 -11.203 1.00 0.00 C ATOM 1265 CE1 TYR A 86 18.145 -10.140 -11.911 1.00 0.00 C ATOM 1266 CE2 TYR A 86 16.902 -8.070 -12.297 1.00 0.00 C ATOM 1267 CZ TYR A 86 17.930 -8.968 -12.666 1.00 0.00 C ATOM 1268 OH TYR A 86 18.715 -8.701 -13.740 1.00 0.00 O ATOM 0 H TYR A 86 14.314 -10.944 -7.427 1.00 0.00 H new ATOM 0 HA TYR A 86 16.832 -9.776 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.184 -11.040 -9.385 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.341 -9.512 -9.549 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.465 -11.328 -10.251 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.281 -7.684 -10.922 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.951 -10.812 -12.167 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.757 -7.156 -12.854 1.00 0.00 H new ATOM 0 HH TYR A 86 18.433 -7.856 -14.149 1.00 0.00 H new ATOM 1278 N PHE A 87 14.422 -7.552 -7.492 1.00 0.00 N ATOM 1279 CA PHE A 87 14.105 -6.132 -7.451 1.00 0.00 C ATOM 1280 C PHE A 87 13.982 -5.673 -6.000 1.00 0.00 C ATOM 1281 O PHE A 87 14.668 -4.725 -5.607 1.00 0.00 O ATOM 1282 CB PHE A 87 12.823 -5.898 -8.257 1.00 0.00 C ATOM 1283 CG PHE A 87 12.270 -4.484 -8.284 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.339 -4.074 -7.308 1.00 0.00 C ATOM 1285 CD2 PHE A 87 12.584 -3.619 -9.351 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.722 -2.814 -7.402 1.00 0.00 C ATOM 1287 CE2 PHE A 87 11.950 -2.367 -9.456 1.00 0.00 C ATOM 1288 CZ PHE A 87 11.018 -1.965 -8.484 1.00 0.00 C ATOM 0 H PHE A 87 13.616 -8.149 -7.307 1.00 0.00 H new ATOM 0 HA PHE A 87 14.900 -5.538 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.009 -6.208 -9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.050 -6.556 -7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 87 11.099 -4.730 -6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.313 -3.917 -10.090 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.021 -2.498 -6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.180 -1.714 -10.285 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.530 -1.005 -8.568 1.00 0.00 H new ATOM 1298 N TRP A 88 13.155 -6.349 -5.190 1.00 0.00 N ATOM 1299 CA TRP A 88 12.843 -5.952 -3.814 1.00 0.00 C ATOM 1300 C TRP A 88 14.069 -5.899 -2.893 1.00 0.00 C ATOM 1301 O TRP A 88 13.962 -5.318 -1.815 1.00 0.00 O ATOM 1302 CB TRP A 88 11.751 -6.846 -3.202 1.00 0.00 C ATOM 1303 CG TRP A 88 10.367 -6.714 -3.763 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.738 -7.587 -4.583 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.365 -5.717 -3.427 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.434 -7.185 -4.789 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.148 -6.029 -4.100 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.348 -4.625 -2.542 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.983 -5.270 -3.936 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.173 -3.890 -2.326 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.998 -4.194 -3.037 1.00 0.00 C ATOM 0 H TRP A 88 12.677 -7.202 -5.480 1.00 0.00 H new ATOM 0 HA TRP A 88 12.466 -4.932 -3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.063 -7.885 -3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.704 -6.639 -2.133 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.190 -8.469 -5.013 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.766 -7.682 -5.378 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.253 -4.348 -2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.089 -5.509 -4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.170 -3.084 -1.608 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.108 -3.599 -2.891 1.00 0.00 H new ATOM 1322 N GLN A 89 15.229 -6.429 -3.293 1.00 0.00 N ATOM 1323 CA GLN A 89 16.517 -6.171 -2.668 1.00 0.00 C ATOM 1324 C GLN A 89 16.784 -4.704 -2.330 1.00 0.00 C ATOM 1325 O GLN A 89 17.282 -4.408 -1.244 1.00 0.00 O ATOM 1326 CB GLN A 89 17.606 -6.688 -3.619 1.00 0.00 C ATOM 1327 CG GLN A 89 18.025 -8.074 -3.177 1.00 0.00 C ATOM 1328 CD GLN A 89 19.111 -8.605 -4.099 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.299 -8.551 -3.798 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.729 -9.119 -5.251 1.00 0.00 N ATOM 0 H GLN A 89 15.293 -7.068 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 89 16.519 -6.687 -1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.231 -6.716 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.463 -6.015 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.390 -8.043 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.166 -8.744 -3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.738 -9.158 -5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.425 -9.478 -5.905 1.00 0.00 H new ATOM 1339 N THR A 90 16.488 -3.776 -3.239 1.00 0.00 N ATOM 1340 CA THR A 90 16.698 -2.362 -2.934 1.00 0.00 C ATOM 1341 C THR A 90 15.773 -1.947 -1.775 1.00 0.00 C ATOM 1342 O THR A 90 16.224 -1.356 -0.791 1.00 0.00 O ATOM 1343 CB THR A 90 16.575 -1.516 -4.214 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.082 -0.220 -3.984 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.148 -1.404 -4.740 1.00 0.00 C ATOM 0 H THR A 90 16.112 -3.969 -4.167 1.00 0.00 H new ATOM 0 HA THR A 90 17.713 -2.180 -2.580 1.00 0.00 H new ATOM 0 HB THR A 90 17.157 -2.035 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.002 0.313 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.140 -0.794 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.766 -2.399 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.516 -0.940 -3.983 1.00 0.00 H new ATOM 1353 N TYR A 91 14.491 -2.324 -1.827 1.00 0.00 N ATOM 1354 CA TYR A 91 13.498 -1.976 -0.816 1.00 0.00 C ATOM 1355 C TYR A 91 13.671 -2.774 0.491 1.00 0.00 C ATOM 1356 O TYR A 91 12.841 -2.648 1.393 1.00 0.00 O ATOM 1357 CB TYR A 91 12.073 -2.087 -1.390 1.00 0.00 C ATOM 1358 CG TYR A 91 11.752 -1.078 -2.485 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.296 0.218 -2.155 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.940 -1.413 -3.842 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.106 1.186 -3.156 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.760 -0.443 -4.849 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.359 0.868 -4.506 1.00 0.00 C ATOM 1364 OH TYR A 91 11.216 1.828 -5.458 1.00 0.00 O ATOM 0 H TYR A 91 14.112 -2.889 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 91 13.665 -0.934 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.932 -3.092 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.357 -1.962 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.092 0.467 -1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.224 -2.420 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.765 2.176 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.929 -0.702 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 91 11.428 1.451 -6.337 1.00 0.00 H new ATOM 1374 N ALA A 92 14.733 -3.579 0.646 1.00 0.00 N ATOM 1375 CA ALA A 92 14.963 -4.413 1.823 1.00 0.00 C ATOM 1376 C ALA A 92 15.054 -3.566 3.090 1.00 0.00 C ATOM 1377 O ALA A 92 14.613 -4.013 4.149 1.00 0.00 O ATOM 1378 CB ALA A 92 16.239 -5.234 1.639 1.00 0.00 C ATOM 0 H ALA A 92 15.466 -3.666 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 92 14.116 -5.090 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.404 -5.853 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.138 -5.872 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.087 -4.563 1.504 1.00 0.00 H new ATOM 1384 N ALA A 93 15.531 -2.320 2.960 1.00 0.00 N ATOM 1385 CA ALA A 93 15.644 -1.373 4.059 1.00 0.00 C ATOM 1386 C ALA A 93 14.311 -1.110 4.774 1.00 0.00 C ATOM 1387 O ALA A 93 14.320 -0.627 5.910 1.00 0.00 O ATOM 1388 CB ALA A 93 16.221 -0.042 3.556 1.00 0.00 C ATOM 0 H ALA A 93 15.853 -1.943 2.068 1.00 0.00 H new ATOM 0 HA ALA A 93 16.316 -1.829 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.300 0.658 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.209 -0.212 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.563 0.375 2.793 1.00 0.00 H new ATOM 1394 N TRP A 94 13.180 -1.420 4.132 1.00 0.00 N ATOM 1395 CA TRP A 94 11.843 -1.165 4.644 1.00 0.00 C ATOM 1396 C TRP A 94 11.040 -2.448 4.860 1.00 0.00 C ATOM 1397 O TRP A 94 9.857 -2.364 5.181 1.00 0.00 O ATOM 1398 CB TRP A 94 11.123 -0.200 3.694 1.00 0.00 C ATOM 1399 CG TRP A 94 11.820 1.111 3.543 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.797 2.124 4.436 1.00 0.00 C ATOM 1401 CD2 TRP A 94 12.720 1.534 2.485 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.620 3.143 4.000 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.221 2.826 2.802 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.177 0.933 1.298 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.140 3.477 1.973 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.127 1.567 0.472 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.610 2.840 0.814 1.00 0.00 C ATOM 0 H TRP A 94 13.177 -1.868 3.216 1.00 0.00 H new ATOM 0 HA TRP A 94 11.932 -0.708 5.629 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.029 -0.668 2.714 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.112 -0.026 4.062 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.223 2.135 5.351 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.765 4.019 4.501 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.792 -0.035 1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.487 4.468 2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.482 1.075 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.341 3.328 0.187 1.00 0.00 H new ATOM 1418 N ILE A 95 11.628 -3.630 4.672 1.00 0.00 N ATOM 1419 CA ILE A 95 10.911 -4.890 4.797 1.00 0.00 C ATOM 1420 C ILE A 95 11.240 -5.432 6.190 1.00 0.00 C ATOM 1421 O ILE A 95 12.279 -6.070 6.382 1.00 0.00 O ATOM 1422 CB ILE A 95 11.226 -5.799 3.584 1.00 0.00 C ATOM 1423 CG1 ILE A 95 10.611 -5.164 2.307 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.633 -7.207 3.766 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.171 -5.714 0.994 1.00 0.00 C ATOM 0 H ILE A 95 12.613 -3.736 4.429 1.00 0.00 H new ATOM 0 HA ILE A 95 9.826 -4.800 4.748 1.00 0.00 H new ATOM 0 HB ILE A 95 12.309 -5.888 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.532 -5.321 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 95 10.777 -4.087 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.873 -7.818 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.055 -7.667 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.550 -7.135 3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.686 -5.215 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.245 -5.533 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.981 -6.786 0.938 1.00 0.00 H new ATOM 1437 N GLN A 96 10.368 -5.158 7.165 1.00 0.00 N ATOM 1438 CA GLN A 96 10.456 -5.713 8.514 1.00 0.00 C ATOM 1439 C GLN A 96 9.564 -6.957 8.608 1.00 0.00 C ATOM 1440 O GLN A 96 8.654 -7.126 7.790 1.00 0.00 O ATOM 1441 CB GLN A 96 10.007 -4.695 9.587 1.00 0.00 C ATOM 1442 CG GLN A 96 8.700 -3.940 9.293 1.00 0.00 C ATOM 1443 CD GLN A 96 7.989 -3.492 10.576 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.766 -2.321 10.828 1.00 0.00 O ATOM 1445 NE2 GLN A 96 7.549 -4.399 11.423 1.00 0.00 N ATOM 0 H GLN A 96 9.571 -4.535 7.035 1.00 0.00 H new ATOM 0 HA GLN A 96 11.499 -5.967 8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.894 -5.222 10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.804 -3.964 9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.917 -3.068 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.034 -4.581 8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.718 -5.389 11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.039 -4.112 12.259 1.00 0.00 H new ATOM 1454 N PRO A 97 9.766 -7.797 9.632 1.00 0.00 N ATOM 1455 CA PRO A 97 8.835 -8.870 9.956 1.00 0.00 C ATOM 1456 C PRO A 97 7.517 -8.302 10.508 1.00 0.00 C ATOM 1457 O PRO A 97 7.452 -7.131 10.891 1.00 0.00 O ATOM 1458 CB PRO A 97 9.567 -9.714 11.001 1.00 0.00 C ATOM 1459 CG PRO A 97 10.413 -8.669 11.731 1.00 0.00 C ATOM 1460 CD PRO A 97 10.845 -7.739 10.609 1.00 0.00 C ATOM 0 HA PRO A 97 8.558 -9.460 9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.874 -10.218 11.674 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.183 -10.486 10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.837 -8.143 12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.268 -9.121 12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.992 -6.723 10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.790 -8.061 10.172 1.00 0.00 H new ATOM 1468 N MET A 98 6.481 -9.136 10.588 1.00 0.00 N ATOM 1469 CA MET A 98 5.254 -8.879 11.328 1.00 0.00 C ATOM 1470 C MET A 98 5.431 -9.325 12.783 1.00 0.00 C ATOM 1471 O MET A 98 6.406 -9.991 13.147 1.00 0.00 O ATOM 1472 CB MET A 98 4.065 -9.627 10.687 1.00 0.00 C ATOM 1473 CG MET A 98 3.581 -9.001 9.380 1.00 0.00 C ATOM 1474 SD MET A 98 1.844 -9.373 9.000 1.00 0.00 S ATOM 1475 CE MET A 98 2.026 -10.472 7.573 1.00 0.00 C ATOM 0 H MET A 98 6.477 -10.042 10.120 1.00 0.00 H new ATOM 0 HA MET A 98 5.043 -7.810 11.299 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.356 -10.661 10.499 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.238 -9.652 11.396 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.710 -7.920 9.434 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.208 -9.356 8.562 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.071 -10.951 7.359 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.344 -9.893 6.706 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.773 -11.234 7.794 1.00 0.00 H new