USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.547 K(o=1.5,f=-14!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -173:sc= 0.978 (180deg=-0.17) USER MOD Set 2.1: A 5 HIS : no HE2:sc= -0.0688 X(o=-0.19,f=-0.68) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= -0.122 USER MOD Single : A 4 LYS NZ :NH3+ -133:sc= 0.142 (180deg=-0.471) USER MOD Single : A 8 SER OG : rot -39:sc= 0.257 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 1.08 (180deg=1.05) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0324 (180deg=-0.149) USER MOD Single : A 23 CYS SG : rot 77:sc= 0.523 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.05) USER MOD Single : A 44 THR OG1 : rot -161:sc= -0.654! USER MOD Single : A 46 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-8.3!) USER MOD Single : A 50 SER OG : rot 150:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.804 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 1.25 (180deg=0.783) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0841 USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00728) USER MOD Single : A 85 GLN : amide:sc= -0.146 K(o=-0.15,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.611 10.489 -3.747 1.00 0.00 N ATOM 36 CA LYS A 4 8.395 11.229 -3.478 1.00 0.00 C ATOM 37 C LYS A 4 8.530 12.038 -2.190 1.00 0.00 C ATOM 38 O LYS A 4 9.417 11.762 -1.365 1.00 0.00 O ATOM 39 CB LYS A 4 7.227 10.240 -3.271 1.00 0.00 C ATOM 40 CG LYS A 4 7.168 9.579 -1.871 1.00 0.00 C ATOM 41 CD LYS A 4 8.369 8.707 -1.556 1.00 0.00 C ATOM 42 CE LYS A 4 8.444 8.385 -0.077 1.00 0.00 C ATOM 43 NZ LYS A 4 8.640 9.597 0.772 1.00 0.00 N ATOM 0 HA LYS A 4 8.212 11.892 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.289 10.767 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.298 9.455 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.088 10.359 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.264 8.975 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.309 7.782 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.282 9.216 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.527 7.879 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.265 7.689 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.395 9.418 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.906 10.403 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.756 9.816 1.274 1.00 0.00 H new ATOM 57 N HIS A 5 7.660 12.993 -1.984 1.00 0.00 N ATOM 58 CA HIS A 5 7.624 13.634 -0.689 1.00 0.00 C ATOM 59 C HIS A 5 6.942 12.691 0.307 1.00 0.00 C ATOM 60 O HIS A 5 7.506 12.338 1.329 1.00 0.00 O ATOM 61 CB HIS A 5 6.983 15.059 -0.710 1.00 0.00 C ATOM 62 CG HIS A 5 5.560 15.152 -1.195 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.214 15.318 -2.506 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.394 15.111 -0.503 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.887 15.371 -2.584 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.336 15.249 -1.390 1.00 0.00 N ATOM 0 H HIS A 5 6.987 13.337 -2.668 1.00 0.00 H new ATOM 0 HA HIS A 5 8.650 13.816 -0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.026 15.467 0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.600 15.701 -1.339 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.862 15.389 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.304 14.990 0.566 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.333 15.497 -3.503 1.00 0.00 H new ATOM 74 N SER A 6 5.765 12.207 -0.045 1.00 0.00 N ATOM 75 CA SER A 6 5.005 11.320 0.800 1.00 0.00 C ATOM 76 C SER A 6 4.064 10.493 -0.067 1.00 0.00 C ATOM 77 O SER A 6 4.177 10.514 -1.283 1.00 0.00 O ATOM 78 CB SER A 6 4.179 12.127 1.763 1.00 0.00 C ATOM 79 OG SER A 6 4.967 13.050 2.516 1.00 0.00 O ATOM 0 H SER A 6 5.311 12.423 -0.932 1.00 0.00 H new ATOM 0 HA SER A 6 5.687 10.671 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.413 12.673 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.661 11.454 2.446 1.00 0.00 H new ATOM 0 HG SER A 6 4.388 13.553 3.126 1.00 0.00 H new ATOM 85 N ILE A 7 3.136 9.804 0.558 1.00 0.00 N ATOM 86 CA ILE A 7 2.173 8.963 -0.124 1.00 0.00 C ATOM 87 C ILE A 7 1.268 9.777 -1.063 1.00 0.00 C ATOM 88 O ILE A 7 0.866 9.298 -2.109 1.00 0.00 O ATOM 89 CB ILE A 7 1.304 8.184 0.897 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.519 7.069 0.200 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.375 9.123 1.679 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.310 6.224 1.129 1.00 0.00 C ATOM 0 H ILE A 7 3.026 9.811 1.572 1.00 0.00 H new ATOM 0 HA ILE A 7 2.738 8.254 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 7 1.973 7.721 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.136 7.515 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.219 6.425 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.219 8.542 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.972 9.855 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.289 9.639 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.833 5.459 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.339 5.747 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.037 6.853 1.642 1.00 0.00 H new ATOM 104 N SER A 8 1.013 11.032 -0.702 1.00 0.00 N ATOM 105 CA SER A 8 0.143 11.889 -1.476 1.00 0.00 C ATOM 106 C SER A 8 0.867 12.401 -2.735 1.00 0.00 C ATOM 107 O SER A 8 0.307 13.173 -3.515 1.00 0.00 O ATOM 108 CB SER A 8 -0.363 13.046 -0.596 1.00 0.00 C ATOM 109 OG SER A 8 -1.387 13.804 -1.232 1.00 0.00 O ATOM 0 H SER A 8 1.404 11.474 0.130 1.00 0.00 H new ATOM 0 HA SER A 8 -0.722 11.317 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.742 12.645 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.471 13.703 -0.349 1.00 0.00 H new ATOM 0 HG SER A 8 -1.174 13.908 -2.183 1.00 0.00 H new ATOM 115 N ASP A 9 2.122 11.995 -2.898 1.00 0.00 N ATOM 116 CA ASP A 9 2.884 12.295 -4.118 1.00 0.00 C ATOM 117 C ASP A 9 2.475 11.278 -5.170 1.00 0.00 C ATOM 118 O ASP A 9 2.363 11.587 -6.348 1.00 0.00 O ATOM 119 CB ASP A 9 4.374 12.137 -3.844 1.00 0.00 C ATOM 120 CG ASP A 9 5.309 12.636 -4.947 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.304 12.101 -6.065 1.00 0.00 O ATOM 122 OD2 ASP A 9 6.129 13.538 -4.666 1.00 0.00 O ATOM 0 H ASP A 9 2.639 11.456 -2.203 1.00 0.00 H new ATOM 0 HA ASP A 9 2.685 13.314 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.613 12.668 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.582 11.082 -3.667 1.00 0.00 H new ATOM 127 N TYR A 10 2.215 10.062 -4.703 1.00 0.00 N ATOM 128 CA TYR A 10 1.802 8.958 -5.550 1.00 0.00 C ATOM 129 C TYR A 10 0.332 9.092 -5.877 1.00 0.00 C ATOM 130 O TYR A 10 -0.456 9.554 -5.045 1.00 0.00 O ATOM 131 CB TYR A 10 1.980 7.594 -4.836 1.00 0.00 C ATOM 132 CG TYR A 10 3.399 7.085 -4.627 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.124 7.396 -3.479 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.993 6.248 -5.566 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.396 6.894 -3.284 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.266 5.740 -5.371 1.00 0.00 C ATOM 137 CZ TYR A 10 5.961 6.069 -4.227 1.00 0.00 C ATOM 138 OH TYR A 10 7.234 5.563 -4.017 1.00 0.00 O ATOM 0 H TYR A 10 2.287 9.816 -3.716 1.00 0.00 H new ATOM 0 HA TYR A 10 2.422 8.991 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.501 7.662 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.435 6.843 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.685 8.039 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.451 5.990 -6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.946 7.150 -2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.711 5.090 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 10 7.490 4.996 -4.775 1.00 0.00 H new ATOM 148 N THR A 11 -0.039 8.706 -7.059 1.00 0.00 N ATOM 149 CA THR A 11 -1.424 8.632 -7.415 1.00 0.00 C ATOM 150 C THR A 11 -1.977 7.329 -6.867 1.00 0.00 C ATOM 151 O THR A 11 -1.189 6.438 -6.467 1.00 0.00 O ATOM 152 CB THR A 11 -1.591 8.663 -8.946 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.686 7.723 -9.552 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.348 10.059 -9.502 1.00 0.00 C ATOM 0 H THR A 11 0.606 8.434 -7.801 1.00 0.00 H new ATOM 0 HA THR A 11 -1.960 9.485 -6.998 1.00 0.00 H new ATOM 0 HB THR A 11 -2.618 8.384 -9.183 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.796 7.744 -10.526 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.474 10.046 -10.585 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.062 10.755 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.334 10.376 -9.258 1.00 0.00 H new ATOM 162 N GLU A 12 -3.293 7.184 -6.848 1.00 0.00 N ATOM 163 CA GLU A 12 -3.896 5.963 -6.363 1.00 0.00 C ATOM 164 C GLU A 12 -3.437 4.797 -7.221 1.00 0.00 C ATOM 165 O GLU A 12 -3.095 3.748 -6.704 1.00 0.00 O ATOM 166 CB GLU A 12 -5.414 6.063 -6.368 1.00 0.00 C ATOM 167 CG GLU A 12 -6.124 4.801 -5.902 1.00 0.00 C ATOM 168 CD GLU A 12 -7.599 4.857 -6.149 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.034 4.482 -7.262 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.354 5.290 -5.259 1.00 0.00 O ATOM 0 H GLU A 12 -3.955 7.894 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.579 5.800 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.714 6.893 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.748 6.302 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.704 3.938 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.941 4.656 -4.837 1.00 0.00 H new ATOM 177 N ALA A 13 -3.367 5.017 -8.531 1.00 0.00 N ATOM 178 CA ALA A 13 -2.932 3.987 -9.453 1.00 0.00 C ATOM 179 C ALA A 13 -1.489 3.566 -9.182 1.00 0.00 C ATOM 180 O ALA A 13 -1.206 2.378 -9.122 1.00 0.00 O ATOM 181 CB ALA A 13 -3.105 4.426 -10.896 1.00 0.00 C ATOM 0 H ALA A 13 -3.608 5.904 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.569 3.118 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.769 3.630 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.157 4.640 -11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.514 5.324 -11.077 1.00 0.00 H new ATOM 187 N GLU A 14 -0.588 4.527 -8.974 1.00 0.00 N ATOM 188 CA GLU A 14 0.819 4.192 -8.707 1.00 0.00 C ATOM 189 C GLU A 14 1.012 3.529 -7.363 1.00 0.00 C ATOM 190 O GLU A 14 1.890 2.681 -7.199 1.00 0.00 O ATOM 191 CB GLU A 14 1.750 5.379 -8.863 1.00 0.00 C ATOM 192 CG GLU A 14 1.961 5.796 -10.295 1.00 0.00 C ATOM 193 CD GLU A 14 3.098 6.755 -10.429 1.00 0.00 C ATOM 194 OE1 GLU A 14 4.257 6.314 -10.460 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.869 7.965 -10.496 1.00 0.00 O ATOM 0 H GLU A 14 -0.797 5.525 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 14 1.092 3.467 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.346 6.223 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.715 5.134 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.155 4.914 -10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.050 6.256 -10.678 1.00 0.00 H new ATOM 202 N PHE A 15 0.194 3.894 -6.413 1.00 0.00 N ATOM 203 CA PHE A 15 0.223 3.249 -5.120 1.00 0.00 C ATOM 204 C PHE A 15 -0.373 1.873 -5.242 1.00 0.00 C ATOM 205 O PHE A 15 0.019 0.966 -4.576 1.00 0.00 O ATOM 206 CB PHE A 15 -0.515 4.066 -4.071 1.00 0.00 C ATOM 207 CG PHE A 15 -0.497 3.437 -2.710 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.531 3.703 -1.833 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.514 2.575 -2.312 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.548 3.129 -0.588 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.499 2.004 -1.070 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.471 2.281 -0.208 1.00 0.00 C ATOM 0 H PHE A 15 -0.502 4.634 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 15 1.259 3.170 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.067 5.058 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.549 4.202 -4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.329 4.368 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.324 2.355 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.358 3.341 0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.294 1.338 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.458 1.833 0.775 1.00 0.00 H new ATOM 222 N LEU A 16 -1.312 1.728 -6.093 1.00 0.00 N ATOM 223 CA LEU A 16 -1.923 0.446 -6.316 1.00 0.00 C ATOM 224 C LEU A 16 -0.953 -0.472 -7.048 1.00 0.00 C ATOM 225 O LEU A 16 -1.060 -1.694 -7.020 1.00 0.00 O ATOM 226 CB LEU A 16 -3.275 0.652 -7.003 1.00 0.00 C ATOM 227 CG LEU A 16 -4.136 -0.550 -7.179 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.579 -0.151 -7.173 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.854 -1.219 -8.465 1.00 0.00 C ATOM 0 H LEU A 16 -1.691 2.484 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.139 -0.067 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.837 1.390 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.092 1.084 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.922 -1.232 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.202 -1.036 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.820 0.327 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.767 0.547 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.496 -2.094 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.048 -0.527 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.810 -1.530 -8.492 1.00 0.00 H new ATOM 241 N GLU A 17 -0.019 0.128 -7.659 1.00 0.00 N ATOM 242 CA GLU A 17 1.074 -0.573 -8.213 1.00 0.00 C ATOM 243 C GLU A 17 2.088 -0.951 -7.108 1.00 0.00 C ATOM 244 O GLU A 17 2.861 -1.846 -7.315 1.00 0.00 O ATOM 245 CB GLU A 17 1.729 0.186 -9.365 1.00 0.00 C ATOM 246 CG GLU A 17 0.814 0.399 -10.574 1.00 0.00 C ATOM 247 CD GLU A 17 0.309 -0.897 -11.191 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.130 -1.691 -11.679 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.932 -1.120 -11.265 1.00 0.00 O ATOM 0 H GLU A 17 0.016 1.138 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 17 0.691 -1.497 -8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.065 1.157 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.617 -0.359 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.040 1.004 -10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.354 0.967 -11.332 1.00 0.00 H new ATOM 256 N PHE A 18 2.048 -0.254 -5.908 1.00 0.00 N ATOM 257 CA PHE A 18 2.969 -0.560 -4.745 1.00 0.00 C ATOM 258 C PHE A 18 2.842 -1.997 -4.429 1.00 0.00 C ATOM 259 O PHE A 18 3.811 -2.731 -4.371 1.00 0.00 O ATOM 260 CB PHE A 18 2.640 0.289 -3.393 1.00 0.00 C ATOM 261 CG PHE A 18 1.886 -0.447 -2.176 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.482 -0.540 -2.107 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.604 -1.042 -1.124 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.158 -1.200 -1.033 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.953 -1.688 -0.073 1.00 0.00 C ATOM 266 CZ PHE A 18 0.585 -1.764 -0.033 1.00 0.00 C ATOM 0 H PHE A 18 1.397 0.510 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 18 3.976 -0.279 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.584 0.677 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.036 1.149 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.117 -0.099 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.683 -0.998 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.236 -1.259 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.535 -2.134 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.095 -2.268 0.787 1.00 0.00 H new ATOM 276 N VAL A 19 1.621 -2.387 -4.313 1.00 0.00 N ATOM 277 CA VAL A 19 1.271 -3.686 -3.862 1.00 0.00 C ATOM 278 C VAL A 19 1.575 -4.738 -4.905 1.00 0.00 C ATOM 279 O VAL A 19 2.177 -5.760 -4.595 1.00 0.00 O ATOM 280 CB VAL A 19 -0.202 -3.723 -3.365 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.174 -3.279 -4.424 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.562 -5.066 -2.779 1.00 0.00 C ATOM 0 H VAL A 19 0.819 -1.796 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 19 1.895 -3.931 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.282 -2.996 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.189 -3.323 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.945 -2.256 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.094 -3.936 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.599 -5.050 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.437 -5.839 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.090 -5.280 -1.932 1.00 0.00 H new ATOM 292 N LYS A 20 1.226 -4.449 -6.143 1.00 0.00 N ATOM 293 CA LYS A 20 1.497 -5.354 -7.232 1.00 0.00 C ATOM 294 C LYS A 20 2.998 -5.509 -7.389 1.00 0.00 C ATOM 295 O LYS A 20 3.497 -6.586 -7.653 1.00 0.00 O ATOM 296 CB LYS A 20 0.946 -4.804 -8.516 1.00 0.00 C ATOM 297 CG LYS A 20 -0.539 -4.612 -8.520 1.00 0.00 C ATOM 298 CD LYS A 20 -0.947 -4.107 -9.842 1.00 0.00 C ATOM 299 CE LYS A 20 -2.421 -3.882 -9.997 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.703 -3.334 -11.335 1.00 0.00 N ATOM 0 H LYS A 20 0.752 -3.588 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 20 1.029 -6.314 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.424 -3.846 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.215 -5.477 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.042 -5.554 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.831 -3.909 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.427 -3.168 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.619 -4.814 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.958 -4.820 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.776 -3.194 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.710 -3.084 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.124 -2.484 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.474 -4.046 -12.057 1.00 0.00 H new ATOM 314 N LYS A 21 3.707 -4.394 -7.204 1.00 0.00 N ATOM 315 CA LYS A 21 5.151 -4.342 -7.267 1.00 0.00 C ATOM 316 C LYS A 21 5.730 -5.271 -6.246 1.00 0.00 C ATOM 317 O LYS A 21 6.555 -6.057 -6.575 1.00 0.00 O ATOM 318 CB LYS A 21 5.674 -2.905 -7.039 1.00 0.00 C ATOM 319 CG LYS A 21 7.192 -2.769 -7.052 1.00 0.00 C ATOM 320 CD LYS A 21 7.652 -1.337 -6.770 1.00 0.00 C ATOM 321 CE LYS A 21 7.150 -0.343 -7.818 1.00 0.00 C ATOM 322 NZ LYS A 21 7.575 -0.712 -9.182 1.00 0.00 N ATOM 0 H LYS A 21 3.277 -3.491 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 21 5.463 -4.654 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.258 -2.255 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.299 -2.544 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.620 -3.439 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.574 -3.086 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.297 -1.032 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.741 -1.308 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.062 -0.294 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.523 0.653 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.362 0.069 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.598 -0.899 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.065 -1.566 -9.485 1.00 0.00 H new ATOM 336 N ILE A 22 5.254 -5.197 -5.017 1.00 0.00 N ATOM 337 CA ILE A 22 5.736 -6.081 -3.953 1.00 0.00 C ATOM 338 C ILE A 22 5.530 -7.537 -4.366 1.00 0.00 C ATOM 339 O ILE A 22 6.418 -8.369 -4.225 1.00 0.00 O ATOM 340 CB ILE A 22 5.008 -5.813 -2.610 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.157 -4.341 -2.233 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.578 -6.709 -1.505 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.445 -3.946 -0.979 1.00 0.00 C ATOM 0 H ILE A 22 4.534 -4.537 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 22 6.797 -5.880 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 22 3.949 -6.046 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.217 -4.113 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.785 -3.729 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.057 -6.509 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.443 -7.755 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.641 -6.501 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.605 -2.885 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.378 -4.137 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.832 -4.527 -0.142 1.00 0.00 H new ATOM 355 N CYS A 23 4.377 -7.806 -4.922 1.00 0.00 N ATOM 356 CA CYS A 23 4.021 -9.116 -5.406 1.00 0.00 C ATOM 357 C CYS A 23 4.979 -9.623 -6.531 1.00 0.00 C ATOM 358 O CYS A 23 5.328 -10.803 -6.570 1.00 0.00 O ATOM 359 CB CYS A 23 2.560 -9.085 -5.878 1.00 0.00 C ATOM 360 SG CYS A 23 1.376 -8.815 -4.538 1.00 0.00 S ATOM 0 H CYS A 23 3.645 -7.108 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 23 4.129 -9.830 -4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.443 -8.296 -6.621 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.327 -10.027 -6.374 1.00 0.00 H new ATOM 0 HG CYS A 23 1.376 -7.558 -4.205 1.00 0.00 H new ATOM 366 N ARG A 24 5.376 -8.736 -7.436 1.00 0.00 N ATOM 367 CA ARG A 24 6.236 -9.100 -8.574 1.00 0.00 C ATOM 368 C ARG A 24 7.739 -8.738 -8.431 1.00 0.00 C ATOM 369 O ARG A 24 8.539 -9.053 -9.305 1.00 0.00 O ATOM 370 CB ARG A 24 5.657 -8.538 -9.853 1.00 0.00 C ATOM 371 CG ARG A 24 5.502 -7.061 -9.872 1.00 0.00 C ATOM 372 CD ARG A 24 4.689 -6.649 -11.059 1.00 0.00 C ATOM 373 NE ARG A 24 4.443 -5.209 -11.055 1.00 0.00 N ATOM 374 CZ ARG A 24 3.306 -4.610 -11.429 1.00 0.00 C ATOM 375 NH1 ARG A 24 2.327 -5.308 -12.016 1.00 0.00 N ATOM 376 NH2 ARG A 24 3.167 -3.307 -11.237 1.00 0.00 N ATOM 0 H ARG A 24 5.118 -7.750 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 24 6.235 -10.190 -8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.297 -8.833 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.682 -8.994 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.018 -6.726 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.482 -6.584 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.209 -6.929 -11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.739 -7.183 -11.056 1.00 0.00 H new ATOM 0 HE ARG A 24 5.204 -4.608 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.443 -6.308 -12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.465 -4.841 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.922 -2.771 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.305 -2.839 -11.518 1.00 0.00 H new ATOM 390 N ALA A 25 8.118 -8.091 -7.356 1.00 0.00 N ATOM 391 CA ALA A 25 9.508 -7.614 -7.178 1.00 0.00 C ATOM 392 C ALA A 25 10.267 -8.412 -6.137 1.00 0.00 C ATOM 393 O ALA A 25 11.271 -7.929 -5.599 1.00 0.00 O ATOM 394 CB ALA A 25 9.539 -6.131 -6.830 1.00 0.00 C ATOM 0 H ALA A 25 7.497 -7.872 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 25 10.010 -7.764 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.573 -5.808 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.075 -5.559 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.992 -5.963 -5.902 1.00 0.00 H new ATOM 400 N GLU A 26 9.792 -9.628 -5.880 1.00 0.00 N ATOM 401 CA GLU A 26 10.368 -10.566 -4.883 1.00 0.00 C ATOM 402 C GLU A 26 11.917 -10.636 -4.938 1.00 0.00 C ATOM 403 O GLU A 26 12.584 -10.746 -3.899 1.00 0.00 O ATOM 404 CB GLU A 26 9.776 -11.946 -5.107 1.00 0.00 C ATOM 405 CG GLU A 26 8.268 -11.979 -4.977 1.00 0.00 C ATOM 406 CD GLU A 26 7.713 -13.341 -5.224 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.646 -14.146 -4.279 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.347 -13.647 -6.374 1.00 0.00 O ATOM 0 H GLU A 26 8.978 -10.010 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 26 10.112 -10.192 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.056 -12.297 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.211 -12.641 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.983 -11.648 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.828 -11.275 -5.684 1.00 0.00 H new ATOM 415 N GLY A 27 12.458 -10.597 -6.147 1.00 0.00 N ATOM 416 CA GLY A 27 13.890 -10.518 -6.357 1.00 0.00 C ATOM 417 C GLY A 27 14.681 -11.689 -5.826 1.00 0.00 C ATOM 418 O GLY A 27 14.635 -12.788 -6.383 1.00 0.00 O ATOM 0 H GLY A 27 11.913 -10.619 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.080 -10.426 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.261 -9.607 -5.888 1.00 0.00 H new ATOM 422 N ALA A 28 15.404 -11.449 -4.757 1.00 0.00 N ATOM 423 CA ALA A 28 16.285 -12.438 -4.185 1.00 0.00 C ATOM 424 C ALA A 28 15.609 -13.200 -3.055 1.00 0.00 C ATOM 425 O ALA A 28 15.270 -14.376 -3.198 1.00 0.00 O ATOM 426 CB ALA A 28 17.565 -11.774 -3.693 1.00 0.00 C ATOM 0 H ALA A 28 15.397 -10.559 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 28 16.535 -13.159 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.224 -12.528 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.067 -11.288 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.321 -11.030 -2.934 1.00 0.00 H new ATOM 432 N THR A 29 15.397 -12.530 -1.949 1.00 0.00 N ATOM 433 CA THR A 29 14.819 -13.142 -0.779 1.00 0.00 C ATOM 434 C THR A 29 13.755 -12.169 -0.241 1.00 0.00 C ATOM 435 O THR A 29 13.705 -11.022 -0.712 1.00 0.00 O ATOM 436 CB THR A 29 15.932 -13.407 0.286 1.00 0.00 C ATOM 437 OG1 THR A 29 17.107 -13.923 -0.375 1.00 0.00 O ATOM 438 CG2 THR A 29 15.484 -14.453 1.303 1.00 0.00 C ATOM 0 H THR A 29 15.621 -11.542 -1.835 1.00 0.00 H new ATOM 0 HA THR A 29 14.362 -14.103 -1.016 1.00 0.00 H new ATOM 0 HB THR A 29 16.139 -12.466 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.809 -14.090 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.279 -14.616 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.589 -14.102 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.264 -15.389 0.789 1.00 0.00 H new ATOM 446 N GLU A 30 12.934 -12.603 0.733 1.00 0.00 N ATOM 447 CA GLU A 30 11.813 -11.811 1.272 1.00 0.00 C ATOM 448 C GLU A 30 12.192 -10.425 1.785 1.00 0.00 C ATOM 449 O GLU A 30 11.330 -9.582 1.973 1.00 0.00 O ATOM 450 CB GLU A 30 10.999 -12.579 2.314 1.00 0.00 C ATOM 451 CG GLU A 30 11.774 -13.072 3.509 1.00 0.00 C ATOM 452 CD GLU A 30 10.857 -13.615 4.568 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.323 -14.727 4.410 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.647 -12.925 5.595 1.00 0.00 O ATOM 0 H GLU A 30 13.030 -13.519 1.171 1.00 0.00 H new ATOM 0 HA GLU A 30 11.178 -11.637 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.193 -11.935 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.533 -13.435 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.473 -13.848 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.367 -12.256 3.922 1.00 0.00 H new ATOM 461 N GLU A 31 13.470 -10.195 2.021 1.00 0.00 N ATOM 462 CA GLU A 31 13.958 -8.876 2.376 1.00 0.00 C ATOM 463 C GLU A 31 13.637 -7.872 1.269 1.00 0.00 C ATOM 464 O GLU A 31 13.514 -6.681 1.517 1.00 0.00 O ATOM 465 CB GLU A 31 15.466 -8.886 2.585 1.00 0.00 C ATOM 466 CG GLU A 31 16.239 -9.366 1.368 1.00 0.00 C ATOM 467 CD GLU A 31 17.680 -9.028 1.439 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.435 -9.740 2.115 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.090 -8.035 0.812 1.00 0.00 O ATOM 0 H GLU A 31 14.194 -10.912 1.973 1.00 0.00 H new ATOM 0 HA GLU A 31 13.463 -8.587 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.797 -7.880 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.704 -9.527 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.127 -10.446 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.809 -8.922 0.470 1.00 0.00 H new ATOM 476 N ASP A 32 13.562 -8.347 0.040 1.00 0.00 N ATOM 477 CA ASP A 32 13.281 -7.483 -1.079 1.00 0.00 C ATOM 478 C ASP A 32 11.830 -7.112 -1.132 1.00 0.00 C ATOM 479 O ASP A 32 11.477 -5.999 -1.520 1.00 0.00 O ATOM 480 CB ASP A 32 13.786 -8.052 -2.385 1.00 0.00 C ATOM 481 CG ASP A 32 14.817 -7.132 -2.984 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.897 -6.943 -2.354 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.560 -6.528 -4.057 1.00 0.00 O ATOM 0 H ASP A 32 13.693 -9.329 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 32 13.838 -6.559 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.220 -9.038 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.956 -8.182 -3.079 1.00 0.00 H new ATOM 488 N ASP A 33 11.001 -8.039 -0.729 1.00 0.00 N ATOM 489 CA ASP A 33 9.567 -7.807 -0.608 1.00 0.00 C ATOM 490 C ASP A 33 9.366 -6.834 0.529 1.00 0.00 C ATOM 491 O ASP A 33 8.797 -5.748 0.370 1.00 0.00 O ATOM 492 CB ASP A 33 8.822 -9.111 -0.225 1.00 0.00 C ATOM 493 CG ASP A 33 9.052 -10.291 -1.137 1.00 0.00 C ATOM 494 OD1 ASP A 33 10.130 -10.913 -1.052 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.137 -10.682 -1.875 1.00 0.00 O ATOM 0 H ASP A 33 11.292 -8.982 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 33 9.183 -7.438 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.119 -9.393 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.753 -8.901 -0.196 1.00 0.00 H new ATOM 500 N ASN A 34 9.910 -7.221 1.666 1.00 0.00 N ATOM 501 CA ASN A 34 9.786 -6.516 2.919 1.00 0.00 C ATOM 502 C ASN A 34 10.290 -5.084 2.849 1.00 0.00 C ATOM 503 O ASN A 34 9.670 -4.203 3.411 1.00 0.00 O ATOM 504 CB ASN A 34 10.521 -7.283 4.002 1.00 0.00 C ATOM 505 CG ASN A 34 10.358 -6.698 5.376 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.323 -6.128 5.710 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.361 -6.840 6.183 1.00 0.00 N ATOM 0 H ASN A 34 10.472 -8.069 1.741 1.00 0.00 H new ATOM 0 HA ASN A 34 8.724 -6.455 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.164 -8.313 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.582 -7.316 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.307 -6.472 7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.204 -7.320 5.869 1.00 0.00 H new ATOM 514 N LYS A 35 11.402 -4.836 2.140 1.00 0.00 N ATOM 515 CA LYS A 35 11.920 -3.469 2.046 1.00 0.00 C ATOM 516 C LYS A 35 10.929 -2.533 1.375 1.00 0.00 C ATOM 517 O LYS A 35 10.806 -1.366 1.766 1.00 0.00 O ATOM 518 CB LYS A 35 13.310 -3.371 1.410 1.00 0.00 C ATOM 519 CG LYS A 35 13.419 -3.900 0.003 1.00 0.00 C ATOM 520 CD LYS A 35 14.773 -3.570 -0.601 1.00 0.00 C ATOM 521 CE LYS A 35 15.952 -4.187 0.163 1.00 0.00 C ATOM 522 NZ LYS A 35 15.958 -5.670 0.139 1.00 0.00 N ATOM 0 H LYS A 35 11.943 -5.541 1.639 1.00 0.00 H new ATOM 0 HA LYS A 35 12.048 -3.140 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.618 -2.325 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.017 -3.912 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.271 -4.980 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.628 -3.471 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.796 -3.920 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.895 -2.487 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.885 -3.820 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.922 -3.848 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.838 -6.021 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.143 -6.029 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.897 -6.002 -0.845 1.00 0.00 H new ATOM 536 N LEU A 36 10.181 -3.055 0.408 1.00 0.00 N ATOM 537 CA LEU A 36 9.146 -2.273 -0.215 1.00 0.00 C ATOM 538 C LEU A 36 8.028 -2.067 0.769 1.00 0.00 C ATOM 539 O LEU A 36 7.593 -0.941 0.995 1.00 0.00 O ATOM 540 CB LEU A 36 8.624 -2.940 -1.480 1.00 0.00 C ATOM 541 CG LEU A 36 9.571 -2.955 -2.669 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.960 -3.744 -3.810 1.00 0.00 C ATOM 543 CD2 LEU A 36 9.874 -1.525 -3.111 1.00 0.00 C ATOM 0 H LEU A 36 10.278 -4.005 0.050 1.00 0.00 H new ATOM 0 HA LEU A 36 9.565 -1.310 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.358 -3.970 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.705 -2.435 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 36 10.505 -3.435 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.646 -3.749 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.776 -4.768 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.018 -3.283 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.553 -1.544 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.947 -1.028 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.339 -0.981 -2.289 1.00 0.00 H new ATOM 555 N VAL A 37 7.614 -3.155 1.404 1.00 0.00 N ATOM 556 CA VAL A 37 6.536 -3.118 2.384 1.00 0.00 C ATOM 557 C VAL A 37 6.823 -2.077 3.462 1.00 0.00 C ATOM 558 O VAL A 37 5.987 -1.246 3.750 1.00 0.00 O ATOM 559 CB VAL A 37 6.304 -4.490 3.083 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.104 -4.395 3.996 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.100 -5.608 2.080 1.00 0.00 C ATOM 0 H VAL A 37 8.012 -4.082 1.256 1.00 0.00 H new ATOM 0 HA VAL A 37 5.636 -2.859 1.826 1.00 0.00 H new ATOM 0 HB VAL A 37 7.197 -4.726 3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.942 -5.356 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.281 -3.629 4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.222 -4.132 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.942 -6.547 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.229 -5.388 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.982 -5.693 1.446 1.00 0.00 H new ATOM 571 N ARG A 38 8.026 -2.103 4.007 1.00 0.00 N ATOM 572 CA ARG A 38 8.390 -1.201 5.089 1.00 0.00 C ATOM 573 C ARG A 38 8.291 0.265 4.685 1.00 0.00 C ATOM 574 O ARG A 38 7.744 1.064 5.433 1.00 0.00 O ATOM 575 CB ARG A 38 9.786 -1.485 5.675 1.00 0.00 C ATOM 576 CG ARG A 38 10.006 -2.892 6.220 1.00 0.00 C ATOM 577 CD ARG A 38 8.885 -3.334 7.143 1.00 0.00 C ATOM 578 NE ARG A 38 8.638 -2.398 8.235 1.00 0.00 N ATOM 579 CZ ARG A 38 7.436 -2.176 8.783 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.370 -2.890 8.398 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.300 -1.262 9.726 1.00 0.00 N ATOM 0 H ARG A 38 8.769 -2.739 3.719 1.00 0.00 H new ATOM 0 HA ARG A 38 7.655 -1.397 5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.529 -1.296 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.974 -0.772 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.087 -3.593 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.953 -2.926 6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.971 -3.454 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.129 -4.311 7.559 1.00 0.00 H new ATOM 0 HE ARG A 38 9.434 -1.878 8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.470 -3.610 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.459 -2.714 8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.110 -0.725 10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.385 -1.092 10.144 1.00 0.00 H new ATOM 595 N GLU A 39 8.783 0.622 3.502 1.00 0.00 N ATOM 596 CA GLU A 39 8.747 2.025 3.108 1.00 0.00 C ATOM 597 C GLU A 39 7.331 2.468 2.818 1.00 0.00 C ATOM 598 O GLU A 39 6.932 3.566 3.219 1.00 0.00 O ATOM 599 CB GLU A 39 9.694 2.355 1.942 1.00 0.00 C ATOM 600 CG GLU A 39 9.365 1.695 0.616 1.00 0.00 C ATOM 601 CD GLU A 39 10.364 2.051 -0.449 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.529 1.599 -0.373 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.034 2.837 -1.342 1.00 0.00 O ATOM 0 H GLU A 39 9.197 -0.015 2.822 1.00 0.00 H new ATOM 0 HA GLU A 39 9.118 2.595 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.698 3.435 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.706 2.068 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.341 0.613 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.369 2.000 0.296 1.00 0.00 H new ATOM 610 N PHE A 40 6.561 1.596 2.180 1.00 0.00 N ATOM 611 CA PHE A 40 5.184 1.885 1.862 1.00 0.00 C ATOM 612 C PHE A 40 4.325 1.944 3.118 1.00 0.00 C ATOM 613 O PHE A 40 3.492 2.824 3.256 1.00 0.00 O ATOM 614 CB PHE A 40 4.615 0.912 0.825 1.00 0.00 C ATOM 615 CG PHE A 40 5.168 1.089 -0.582 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.914 2.246 -1.306 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.923 0.096 -1.180 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.408 2.402 -2.592 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.414 0.242 -2.460 1.00 0.00 C ATOM 620 CZ PHE A 40 6.160 1.393 -3.169 1.00 0.00 C ATOM 0 H PHE A 40 6.878 0.676 1.873 1.00 0.00 H new ATOM 0 HA PHE A 40 5.160 2.874 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.816 -0.107 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.532 1.029 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.324 3.034 -0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.132 -0.812 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.207 3.309 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.999 -0.548 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.545 1.509 -4.171 1.00 0.00 H new ATOM 630 N GLU A 41 4.587 1.059 4.055 1.00 0.00 N ATOM 631 CA GLU A 41 3.875 1.035 5.313 1.00 0.00 C ATOM 632 C GLU A 41 4.150 2.226 6.218 1.00 0.00 C ATOM 633 O GLU A 41 3.408 2.497 7.154 1.00 0.00 O ATOM 634 CB GLU A 41 3.992 -0.310 6.012 1.00 0.00 C ATOM 635 CG GLU A 41 2.966 -1.253 5.436 1.00 0.00 C ATOM 636 CD GLU A 41 1.628 -0.581 5.505 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.157 -0.358 6.639 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.043 -0.244 4.467 1.00 0.00 O ATOM 0 H GLU A 41 5.300 0.335 3.966 1.00 0.00 H new ATOM 0 HA GLU A 41 2.823 1.154 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.994 -0.717 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.835 -0.192 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.214 -1.502 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.952 -2.188 5.995 1.00 0.00 H new ATOM 645 N ARG A 42 5.207 2.939 5.934 1.00 0.00 N ATOM 646 CA ARG A 42 5.506 4.185 6.641 1.00 0.00 C ATOM 647 C ARG A 42 4.789 5.345 5.970 1.00 0.00 C ATOM 648 O ARG A 42 4.607 6.421 6.553 1.00 0.00 O ATOM 649 CB ARG A 42 6.999 4.430 6.681 1.00 0.00 C ATOM 650 CG ARG A 42 7.752 3.392 7.481 1.00 0.00 C ATOM 651 CD ARG A 42 9.247 3.591 7.378 1.00 0.00 C ATOM 652 NE ARG A 42 9.663 4.926 7.825 1.00 0.00 N ATOM 653 CZ ARG A 42 10.923 5.378 7.819 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.907 4.624 7.338 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.186 6.592 8.270 1.00 0.00 N ATOM 0 H ARG A 42 5.887 2.688 5.216 1.00 0.00 H new ATOM 0 HA ARG A 42 5.151 4.101 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.386 4.445 5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.188 5.415 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.448 3.446 8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.491 2.396 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.754 2.835 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.561 3.442 6.345 1.00 0.00 H new ATOM 0 HE ARG A 42 8.937 5.557 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.704 3.694 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.865 4.975 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.430 7.181 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.145 6.940 8.267 1.00 0.00 H new ATOM 669 N LEU A 43 4.417 5.129 4.732 1.00 0.00 N ATOM 670 CA LEU A 43 3.698 6.111 3.954 1.00 0.00 C ATOM 671 C LEU A 43 2.215 6.041 4.305 1.00 0.00 C ATOM 672 O LEU A 43 1.504 7.041 4.310 1.00 0.00 O ATOM 673 CB LEU A 43 3.908 5.843 2.449 1.00 0.00 C ATOM 674 CG LEU A 43 5.360 5.818 1.972 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.451 5.484 0.495 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.028 7.138 2.250 1.00 0.00 C ATOM 0 H LEU A 43 4.606 4.261 4.231 1.00 0.00 H new ATOM 0 HA LEU A 43 4.073 7.108 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.448 4.886 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.374 6.608 1.885 1.00 0.00 H new ATOM 0 HG LEU A 43 5.879 5.036 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.497 5.474 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.011 4.503 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.910 6.235 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.061 7.103 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.497 7.932 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.011 7.336 3.322 1.00 0.00 H new ATOM 688 N THR A 44 1.772 4.858 4.617 1.00 0.00 N ATOM 689 CA THR A 44 0.397 4.605 4.942 1.00 0.00 C ATOM 690 C THR A 44 0.150 4.716 6.426 1.00 0.00 C ATOM 691 O THR A 44 -0.880 5.282 6.850 1.00 0.00 O ATOM 692 CB THR A 44 0.046 3.205 4.473 1.00 0.00 C ATOM 693 OG1 THR A 44 0.998 2.312 5.027 1.00 0.00 O ATOM 694 CG2 THR A 44 0.146 3.165 2.985 1.00 0.00 C ATOM 0 H THR A 44 2.364 4.029 4.654 1.00 0.00 H new ATOM 0 HA THR A 44 -0.226 5.349 4.446 1.00 0.00 H new ATOM 0 HB THR A 44 -0.962 2.929 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.995 1.474 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.103 2.165 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.548 3.886 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.163 3.415 2.682 1.00 0.00 H new ATOM 702 N GLU A 45 1.112 4.181 7.214 1.00 0.00 N ATOM 703 CA GLU A 45 1.019 4.072 8.670 1.00 0.00 C ATOM 704 C GLU A 45 -0.141 3.152 8.972 1.00 0.00 C ATOM 705 O GLU A 45 -0.793 3.241 10.024 1.00 0.00 O ATOM 706 CB GLU A 45 0.818 5.443 9.319 1.00 0.00 C ATOM 707 CG GLU A 45 1.898 6.432 8.978 1.00 0.00 C ATOM 708 CD GLU A 45 1.622 7.798 9.527 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.959 8.593 8.841 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.076 8.121 10.643 1.00 0.00 O ATOM 0 H GLU A 45 1.985 3.810 6.839 1.00 0.00 H new ATOM 0 HA GLU A 45 1.945 3.671 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.145 5.847 9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.776 5.321 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.850 6.073 9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.000 6.494 7.895 1.00 0.00 H new ATOM 717 N HIS A 46 -0.363 2.225 8.049 1.00 0.00 N ATOM 718 CA HIS A 46 -1.479 1.364 8.124 1.00 0.00 C ATOM 719 C HIS A 46 -1.184 0.173 9.076 1.00 0.00 C ATOM 720 O HIS A 46 -0.191 -0.505 8.960 1.00 0.00 O ATOM 721 CB HIS A 46 -1.964 0.934 6.704 1.00 0.00 C ATOM 722 CG HIS A 46 -3.266 0.200 6.754 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.381 -1.093 7.177 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.523 0.670 6.651 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.673 -1.348 7.368 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.410 -0.318 7.047 1.00 0.00 N ATOM 0 H HIS A 46 0.238 2.069 7.240 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.318 1.905 8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.070 1.817 6.074 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.208 0.300 6.239 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.796 1.659 6.314 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.062 -2.284 7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.427 -0.254 7.081 1.00 0.00 H new ATOM 734 N PRO A 47 -2.081 -0.078 10.009 1.00 0.00 N ATOM 735 CA PRO A 47 -1.909 -1.068 11.091 1.00 0.00 C ATOM 736 C PRO A 47 -1.727 -2.474 10.641 1.00 0.00 C ATOM 737 O PRO A 47 -1.030 -3.267 11.276 1.00 0.00 O ATOM 738 CB PRO A 47 -3.210 -0.979 11.837 1.00 0.00 C ATOM 739 CG PRO A 47 -4.154 -0.259 10.964 1.00 0.00 C ATOM 740 CD PRO A 47 -3.351 0.598 10.105 1.00 0.00 C ATOM 0 HA PRO A 47 -1.005 -0.842 11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.587 -1.973 12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.078 -0.452 12.782 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.745 -0.958 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.855 0.331 11.554 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.811 0.720 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.239 1.595 10.531 1.00 0.00 H new ATOM 748 N ASP A 48 -2.351 -2.786 9.577 1.00 0.00 N ATOM 749 CA ASP A 48 -2.351 -4.115 9.099 1.00 0.00 C ATOM 750 C ASP A 48 -1.786 -4.097 7.731 1.00 0.00 C ATOM 751 O ASP A 48 -1.942 -5.026 6.995 1.00 0.00 O ATOM 752 CB ASP A 48 -3.776 -4.705 9.052 1.00 0.00 C ATOM 753 CG ASP A 48 -4.437 -4.831 10.398 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.992 -3.830 10.898 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.448 -5.945 10.972 1.00 0.00 O ATOM 0 H ASP A 48 -2.880 -2.127 9.006 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.760 -4.737 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.396 -4.077 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.734 -5.690 8.587 1.00 0.00 H new ATOM 760 N GLY A 49 -1.113 -3.003 7.414 1.00 0.00 N ATOM 761 CA GLY A 49 -0.590 -2.782 6.046 1.00 0.00 C ATOM 762 C GLY A 49 0.297 -3.854 5.540 1.00 0.00 C ATOM 763 O GLY A 49 0.091 -4.362 4.437 1.00 0.00 O ATOM 0 H GLY A 49 -0.909 -2.249 8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.433 -2.674 5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.043 -1.839 6.029 1.00 0.00 H new ATOM 767 N SER A 50 1.250 -4.222 6.325 1.00 0.00 N ATOM 768 CA SER A 50 2.152 -5.288 5.936 1.00 0.00 C ATOM 769 C SER A 50 1.346 -6.592 5.799 1.00 0.00 C ATOM 770 O SER A 50 1.457 -7.307 4.792 1.00 0.00 O ATOM 771 CB SER A 50 3.272 -5.456 6.964 1.00 0.00 C ATOM 772 OG SER A 50 3.866 -4.198 7.314 1.00 0.00 O ATOM 0 H SER A 50 1.437 -3.812 7.240 1.00 0.00 H new ATOM 0 HA SER A 50 2.616 -5.039 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.874 -5.932 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.037 -6.120 6.563 1.00 0.00 H new ATOM 0 HG SER A 50 4.192 -4.236 8.237 1.00 0.00 H new ATOM 778 N ASP A 51 0.469 -6.829 6.777 1.00 0.00 N ATOM 779 CA ASP A 51 -0.375 -8.011 6.826 1.00 0.00 C ATOM 780 C ASP A 51 -1.299 -8.080 5.636 1.00 0.00 C ATOM 781 O ASP A 51 -1.594 -9.134 5.193 1.00 0.00 O ATOM 782 CB ASP A 51 -1.212 -8.087 8.116 1.00 0.00 C ATOM 783 CG ASP A 51 -0.399 -8.217 9.383 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.205 -9.280 9.617 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.369 -7.249 10.189 1.00 0.00 O ATOM 0 H ASP A 51 0.328 -6.195 7.563 1.00 0.00 H new ATOM 0 HA ASP A 51 0.306 -8.862 6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.830 -7.192 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.890 -8.938 8.045 1.00 0.00 H new ATOM 790 N LEU A 52 -1.715 -6.930 5.105 1.00 0.00 N ATOM 791 CA LEU A 52 -2.621 -6.857 3.933 1.00 0.00 C ATOM 792 C LEU A 52 -2.046 -7.596 2.751 1.00 0.00 C ATOM 793 O LEU A 52 -2.756 -8.279 2.020 1.00 0.00 O ATOM 794 CB LEU A 52 -2.864 -5.397 3.495 1.00 0.00 C ATOM 795 CG LEU A 52 -3.540 -4.469 4.493 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.723 -3.094 3.877 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.875 -5.041 4.955 1.00 0.00 C ATOM 0 H LEU A 52 -1.440 -6.017 5.467 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.560 -7.314 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.901 -4.961 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.468 -5.414 2.588 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.901 -4.377 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.208 -2.434 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.750 -2.684 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.343 -3.175 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.337 -4.358 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.533 -5.168 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.711 -6.007 5.433 1.00 0.00 H new ATOM 809 N ILE A 53 -0.749 -7.495 2.618 1.00 0.00 N ATOM 810 CA ILE A 53 -0.035 -8.036 1.469 1.00 0.00 C ATOM 811 C ILE A 53 0.125 -9.532 1.637 1.00 0.00 C ATOM 812 O ILE A 53 0.202 -10.295 0.670 1.00 0.00 O ATOM 813 CB ILE A 53 1.357 -7.372 1.395 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.182 -5.852 1.419 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.126 -7.819 0.136 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.440 -5.107 1.726 1.00 0.00 C ATOM 0 H ILE A 53 -0.147 -7.035 3.301 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.591 -7.835 0.553 1.00 0.00 H new ATOM 0 HB ILE A 53 1.948 -7.684 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.803 -5.524 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.427 -5.594 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.102 -7.334 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.259 -8.901 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.562 -7.539 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.238 -4.036 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.810 -5.406 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.191 -5.335 0.970 1.00 0.00 H new ATOM 828 N TYR A 54 0.149 -9.936 2.867 1.00 0.00 N ATOM 829 CA TYR A 54 0.360 -11.299 3.210 1.00 0.00 C ATOM 830 C TYR A 54 -0.971 -12.048 3.383 1.00 0.00 C ATOM 831 O TYR A 54 -1.157 -13.141 2.850 1.00 0.00 O ATOM 832 CB TYR A 54 1.195 -11.380 4.485 1.00 0.00 C ATOM 833 CG TYR A 54 2.551 -10.696 4.406 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.416 -10.918 3.340 1.00 0.00 C ATOM 835 CD2 TYR A 54 2.962 -9.829 5.404 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.650 -10.292 3.279 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.189 -9.199 5.350 1.00 0.00 C ATOM 838 CZ TYR A 54 5.030 -9.433 4.287 1.00 0.00 C ATOM 839 OH TYR A 54 6.257 -8.801 4.233 1.00 0.00 O ATOM 0 H TYR A 54 0.021 -9.318 3.668 1.00 0.00 H new ATOM 0 HA TYR A 54 0.899 -11.782 2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.627 -10.936 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.348 -12.430 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.121 -11.589 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.308 -9.641 6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.311 -10.476 2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.488 -8.525 6.139 1.00 0.00 H new ATOM 0 HH TYR A 54 6.366 -8.230 5.022 1.00 0.00 H new ATOM 849 N TYR A 55 -1.877 -11.455 4.116 1.00 0.00 N ATOM 850 CA TYR A 55 -3.152 -12.054 4.446 1.00 0.00 C ATOM 851 C TYR A 55 -4.265 -11.010 4.339 1.00 0.00 C ATOM 852 O TYR A 55 -4.403 -10.159 5.237 1.00 0.00 O ATOM 853 CB TYR A 55 -3.167 -12.546 5.909 1.00 0.00 C ATOM 854 CG TYR A 55 -2.030 -13.439 6.328 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.069 -14.803 6.085 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.921 -12.915 6.992 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.040 -15.625 6.482 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.113 -13.735 7.393 1.00 0.00 C ATOM 859 CZ TYR A 55 0.047 -15.091 7.135 1.00 0.00 C ATOM 860 OH TYR A 55 1.082 -15.916 7.528 1.00 0.00 O ATOM 0 H TYR A 55 -1.750 -10.523 4.510 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.305 -12.882 3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.175 -11.674 6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.102 -13.080 6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.921 -15.227 5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.871 -11.855 7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.085 -16.685 6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.969 -13.320 7.905 1.00 0.00 H new ATOM 0 HH TYR A 55 1.773 -15.384 7.975 1.00 0.00 H new ATOM 870 N PRO A 56 -5.050 -11.006 3.258 1.00 0.00 N ATOM 871 CA PRO A 56 -6.210 -10.146 3.180 1.00 0.00 C ATOM 872 C PRO A 56 -7.294 -10.702 4.109 1.00 0.00 C ATOM 873 O PRO A 56 -7.984 -11.650 3.758 1.00 0.00 O ATOM 874 CB PRO A 56 -6.632 -10.193 1.710 1.00 0.00 C ATOM 875 CG PRO A 56 -6.034 -11.446 1.166 1.00 0.00 C ATOM 876 CD PRO A 56 -4.864 -11.819 2.045 1.00 0.00 C ATOM 0 HA PRO A 56 -6.022 -9.119 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.718 -10.202 1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.271 -9.318 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.773 -12.247 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.707 -11.298 0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.863 -12.884 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.914 -11.597 1.559 1.00 0.00 H new ATOM 884 N ARG A 57 -7.385 -10.064 5.294 1.00 0.00 N ATOM 885 CA ARG A 57 -8.153 -10.475 6.512 1.00 0.00 C ATOM 886 C ARG A 57 -9.206 -11.602 6.286 1.00 0.00 C ATOM 887 O ARG A 57 -8.860 -12.756 6.027 1.00 0.00 O ATOM 888 CB ARG A 57 -8.880 -9.258 7.104 1.00 0.00 C ATOM 889 CG ARG A 57 -8.121 -7.954 7.154 1.00 0.00 C ATOM 890 CD ARG A 57 -8.960 -6.922 7.877 1.00 0.00 C ATOM 891 NE ARG A 57 -8.514 -5.557 7.637 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.062 -4.719 8.558 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.712 -5.156 9.765 1.00 0.00 N ATOM 894 NH2 ARG A 57 -7.928 -3.445 8.251 1.00 0.00 N ATOM 0 H ARG A 57 -6.893 -9.184 5.447 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.402 -10.881 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.791 -9.096 6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.186 -9.509 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.169 -8.092 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.892 -7.613 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.999 -7.020 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.932 -7.125 8.948 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.553 -5.216 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.790 -6.148 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.366 -4.499 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.171 -3.117 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.581 -2.786 8.948 1.00 0.00 H new ATOM 908 N ASP A 58 -10.460 -11.273 6.474 1.00 0.00 N ATOM 909 CA ASP A 58 -11.565 -12.159 6.185 1.00 0.00 C ATOM 910 C ASP A 58 -12.441 -11.477 5.172 1.00 0.00 C ATOM 911 O ASP A 58 -12.686 -11.987 4.094 1.00 0.00 O ATOM 912 CB ASP A 58 -12.356 -12.471 7.465 1.00 0.00 C ATOM 913 CG ASP A 58 -13.574 -13.335 7.227 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.449 -14.582 7.215 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.684 -12.793 7.083 1.00 0.00 O ATOM 0 H ASP A 58 -10.749 -10.365 6.839 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.199 -13.107 5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.699 -12.972 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.669 -11.534 7.926 1.00 0.00 H new ATOM 920 N ASP A 59 -12.861 -10.274 5.537 1.00 0.00 N ATOM 921 CA ASP A 59 -13.712 -9.409 4.713 1.00 0.00 C ATOM 922 C ASP A 59 -13.041 -9.021 3.420 1.00 0.00 C ATOM 923 O ASP A 59 -13.678 -9.008 2.364 1.00 0.00 O ATOM 924 CB ASP A 59 -14.050 -8.118 5.486 1.00 0.00 C ATOM 925 CG ASP A 59 -14.728 -7.045 4.630 1.00 0.00 C ATOM 926 OD1 ASP A 59 -15.964 -7.041 4.531 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.029 -6.170 4.059 1.00 0.00 O ATOM 0 H ASP A 59 -12.617 -9.857 6.435 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.615 -9.974 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.702 -8.367 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.133 -7.707 5.908 1.00 0.00 H new ATOM 932 N ARG A 60 -11.757 -8.728 3.507 1.00 0.00 N ATOM 933 CA ARG A 60 -11.029 -8.157 2.452 1.00 0.00 C ATOM 934 C ARG A 60 -10.945 -8.998 1.197 1.00 0.00 C ATOM 935 O ARG A 60 -10.816 -10.229 1.238 1.00 0.00 O ATOM 936 CB ARG A 60 -9.640 -7.760 2.918 1.00 0.00 C ATOM 937 CG ARG A 60 -8.947 -6.847 1.954 1.00 0.00 C ATOM 938 CD ARG A 60 -9.464 -5.385 2.015 1.00 0.00 C ATOM 939 NE ARG A 60 -10.919 -5.272 2.312 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.843 -4.610 1.607 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.490 -3.828 0.583 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.123 -4.706 1.967 1.00 0.00 N ATOM 0 H ARG A 60 -11.201 -8.895 4.346 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.598 -7.274 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.713 -7.269 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.038 -8.658 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.877 -6.856 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.079 -7.230 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.904 -4.843 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.259 -4.897 1.062 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.248 -5.754 3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.506 -3.731 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.204 -3.328 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.386 -5.278 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.840 -4.207 1.440 1.00 0.00 H new ATOM 956 N GLU A 61 -11.046 -8.298 0.105 1.00 0.00 N ATOM 957 CA GLU A 61 -10.880 -8.826 -1.215 1.00 0.00 C ATOM 958 C GLU A 61 -9.415 -9.170 -1.422 1.00 0.00 C ATOM 959 O GLU A 61 -8.525 -8.415 -0.999 1.00 0.00 O ATOM 960 CB GLU A 61 -11.303 -7.754 -2.227 1.00 0.00 C ATOM 961 CG GLU A 61 -11.089 -8.130 -3.681 1.00 0.00 C ATOM 962 CD GLU A 61 -11.864 -9.348 -4.092 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.364 -10.481 -3.910 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.982 -9.188 -4.610 1.00 0.00 O ATOM 0 H GLU A 61 -11.256 -7.300 0.112 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.489 -9.720 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.359 -7.529 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.749 -6.839 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.379 -7.291 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.027 -8.307 -3.852 1.00 0.00 H new ATOM 971 N ASP A 62 -9.164 -10.267 -2.072 1.00 0.00 N ATOM 972 CA ASP A 62 -7.809 -10.681 -2.340 1.00 0.00 C ATOM 973 C ASP A 62 -7.386 -10.166 -3.688 1.00 0.00 C ATOM 974 O ASP A 62 -7.474 -10.871 -4.695 1.00 0.00 O ATOM 975 CB ASP A 62 -7.639 -12.213 -2.269 1.00 0.00 C ATOM 976 CG ASP A 62 -6.220 -12.690 -2.606 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.324 -12.630 -1.741 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.984 -13.184 -3.736 1.00 0.00 O ATOM 0 H ASP A 62 -9.881 -10.898 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.170 -10.258 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.899 -12.553 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.343 -12.681 -2.957 1.00 0.00 H new ATOM 983 N SER A 63 -7.087 -8.901 -3.748 1.00 0.00 N ATOM 984 CA SER A 63 -6.559 -8.352 -4.945 1.00 0.00 C ATOM 985 C SER A 63 -5.630 -7.215 -4.592 1.00 0.00 C ATOM 986 O SER A 63 -5.761 -6.636 -3.502 1.00 0.00 O ATOM 987 CB SER A 63 -7.699 -7.878 -5.862 1.00 0.00 C ATOM 988 OG SER A 63 -8.470 -6.855 -5.262 1.00 0.00 O ATOM 0 H SER A 63 -7.202 -8.239 -2.981 1.00 0.00 H new ATOM 0 HA SER A 63 -5.997 -9.112 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.282 -7.514 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.344 -8.723 -6.106 1.00 0.00 H new ATOM 0 HG SER A 63 -9.183 -6.580 -5.876 1.00 0.00 H new ATOM 994 N PRO A 64 -4.656 -6.883 -5.474 1.00 0.00 N ATOM 995 CA PRO A 64 -3.787 -5.720 -5.284 1.00 0.00 C ATOM 996 C PRO A 64 -4.648 -4.456 -5.084 1.00 0.00 C ATOM 997 O PRO A 64 -4.346 -3.603 -4.254 1.00 0.00 O ATOM 998 CB PRO A 64 -2.985 -5.673 -6.615 1.00 0.00 C ATOM 999 CG PRO A 64 -2.958 -7.085 -7.063 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.291 -7.649 -6.688 1.00 0.00 C ATOM 0 HA PRO A 64 -3.138 -5.777 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.468 -5.029 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.979 -5.283 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.792 -7.152 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.150 -7.634 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.023 -7.514 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.233 -8.719 -6.486 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.769 -4.409 -5.800 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.719 -3.312 -5.707 1.00 0.00 C ATOM 1010 C GLU A 65 -7.425 -3.329 -4.341 1.00 0.00 C ATOM 1011 O GLU A 65 -7.576 -2.295 -3.694 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.749 -3.418 -6.838 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.132 -3.451 -8.232 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.154 -3.587 -9.328 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.727 -2.572 -9.760 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.402 -4.721 -9.788 1.00 0.00 O ATOM 0 H GLU A 65 -6.042 -5.135 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.180 -2.370 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.343 -4.320 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.433 -2.572 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.558 -2.538 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.431 -4.283 -8.293 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.818 -4.521 -3.902 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.497 -4.694 -2.630 1.00 0.00 C ATOM 1025 C GLY A 66 -7.637 -4.305 -1.447 1.00 0.00 C ATOM 1026 O GLY A 66 -8.141 -3.759 -0.453 1.00 0.00 O ATOM 0 H GLY A 66 -7.674 -5.389 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.407 -4.094 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.802 -5.735 -2.525 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.354 -4.592 -1.553 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.374 -4.219 -0.540 1.00 0.00 C ATOM 1032 C ILE A 67 -5.267 -2.700 -0.443 1.00 0.00 C ATOM 1033 O ILE A 67 -5.334 -2.125 0.649 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.994 -4.856 -0.857 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.081 -6.383 -0.686 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.876 -4.252 0.000 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.837 -7.132 -1.101 1.00 0.00 C ATOM 0 H ILE A 67 -5.956 -5.093 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.706 -4.600 0.426 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.738 -4.633 -1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.293 -6.607 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.924 -6.754 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.927 -4.725 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.809 -3.181 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.095 -4.420 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.987 -8.201 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.633 -6.943 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.992 -6.794 -0.501 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.149 -2.058 -1.591 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.100 -0.607 -1.671 1.00 0.00 C ATOM 1051 C VAL A 68 -6.359 -0.012 -1.109 1.00 0.00 C ATOM 1052 O VAL A 68 -6.310 0.953 -0.350 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.918 -0.140 -3.122 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.023 1.382 -3.251 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.589 -0.587 -3.597 1.00 0.00 C ATOM 0 H VAL A 68 -5.084 -2.526 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.245 -0.269 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.714 -0.574 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.888 1.669 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.005 1.709 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.251 1.853 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.443 -0.263 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.813 -0.153 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.531 -1.674 -3.547 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.477 -0.633 -1.448 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.778 -0.194 -1.024 1.00 0.00 C ATOM 1067 C LYS A 69 -8.857 -0.087 0.487 1.00 0.00 C ATOM 1068 O LYS A 69 -9.423 0.862 1.006 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.820 -1.156 -1.516 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.210 -0.596 -1.431 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.830 -0.473 -2.808 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.107 0.581 -3.657 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.674 0.694 -5.011 1.00 0.00 N ATOM 0 H LYS A 69 -7.497 -1.467 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.958 0.795 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.603 -1.423 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.766 -2.074 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.828 -1.241 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.183 0.382 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.791 -1.438 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.882 -0.205 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.167 1.549 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.050 0.324 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.153 1.418 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.594 -0.221 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.676 0.965 -4.946 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.237 -1.035 1.173 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.225 -1.070 2.624 1.00 0.00 C ATOM 1089 C GLU A 70 -7.568 0.207 3.154 1.00 0.00 C ATOM 1090 O GLU A 70 -8.182 0.978 3.892 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.433 -2.282 3.100 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.506 -2.527 4.590 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.851 -3.026 5.031 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.815 -2.245 5.061 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.955 -4.210 5.375 1.00 0.00 O ATOM 0 H GLU A 70 -7.727 -1.803 0.736 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.248 -1.139 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.799 -3.167 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.389 -2.154 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.744 -3.253 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.276 -1.601 5.118 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.338 0.435 2.711 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.543 1.597 3.084 1.00 0.00 C ATOM 1104 C ILE A 71 -6.242 2.902 2.705 1.00 0.00 C ATOM 1105 O ILE A 71 -6.254 3.879 3.469 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.163 1.515 2.392 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.361 0.416 3.052 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.407 2.844 2.460 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.108 0.064 2.345 1.00 0.00 C ATOM 0 H ILE A 71 -5.856 -0.195 2.070 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.417 1.593 4.167 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.313 1.294 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.116 0.722 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.983 -0.476 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.443 2.740 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.990 3.620 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.248 3.119 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.596 -0.732 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.343 -0.276 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.462 0.940 2.291 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.823 2.895 1.541 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.486 4.009 0.971 1.00 0.00 C ATOM 1123 C LYS A 72 -8.713 4.403 1.813 1.00 0.00 C ATOM 1124 O LYS A 72 -8.795 5.546 2.288 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.809 3.617 -0.486 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.441 4.632 -1.411 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.863 4.882 -1.087 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.561 5.430 -2.270 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.963 5.735 -1.978 1.00 0.00 N ATOM 0 H LYS A 72 -6.843 2.069 0.943 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.869 4.908 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.878 3.289 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.470 2.751 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.887 5.569 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.362 4.281 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.341 3.955 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.938 5.581 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.054 6.335 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.507 4.713 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.512 5.721 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.344 5.023 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.030 6.677 -1.543 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.617 3.458 2.036 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.843 3.720 2.791 1.00 0.00 C ATOM 1145 C GLU A 73 -10.525 4.063 4.245 1.00 0.00 C ATOM 1146 O GLU A 73 -11.146 4.945 4.836 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.773 2.503 2.735 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.269 2.151 1.336 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.179 3.195 0.752 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.381 3.174 1.042 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.728 4.045 -0.026 1.00 0.00 O ATOM 0 H GLU A 73 -9.527 2.498 1.704 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.344 4.574 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.249 1.641 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.635 2.690 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.412 2.015 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.796 1.198 1.373 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.522 3.391 4.785 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.117 3.559 6.173 1.00 0.00 C ATOM 1160 C TRP A 74 -8.630 4.979 6.421 1.00 0.00 C ATOM 1161 O TRP A 74 -9.169 5.693 7.271 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.008 2.560 6.502 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.632 2.455 7.946 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.322 1.799 8.923 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.450 2.972 8.565 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.646 1.880 10.110 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.494 2.593 9.919 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.359 3.721 8.103 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.493 2.929 10.813 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.357 4.057 8.989 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.432 3.655 10.332 1.00 0.00 C ATOM 0 H TRP A 74 -8.962 2.710 4.272 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.977 3.375 6.817 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.318 1.575 6.154 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.119 2.833 5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.264 1.290 8.781 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.952 1.474 10.995 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.304 4.030 7.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.544 2.631 11.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.510 4.633 8.648 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.632 3.925 11.006 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.662 5.419 5.630 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.070 6.727 5.843 1.00 0.00 C ATOM 1184 C ARG A 75 -8.068 7.838 5.568 1.00 0.00 C ATOM 1185 O ARG A 75 -8.053 8.872 6.237 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.821 6.905 5.011 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.729 5.905 5.339 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.541 6.094 4.438 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.975 6.185 3.042 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.589 7.133 2.169 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.656 8.025 2.492 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.161 7.202 0.987 1.00 0.00 N ATOM 0 H ARG A 75 -7.275 4.895 4.845 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.785 6.789 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.081 6.815 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.436 7.914 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.424 6.021 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.114 4.891 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.003 6.999 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.848 5.261 4.558 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.622 5.472 2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.221 7.997 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.376 8.737 1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.894 6.539 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.872 7.919 0.322 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.975 7.588 4.636 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.995 8.556 4.273 1.00 0.00 C ATOM 1208 C ALA A 76 -10.999 8.749 5.409 1.00 0.00 C ATOM 1209 O ALA A 76 -11.494 9.855 5.626 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.702 8.137 2.987 1.00 0.00 C ATOM 0 H ALA A 76 -9.024 6.713 4.114 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.504 9.513 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.462 8.875 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.975 8.071 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.174 7.165 3.131 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.239 7.689 6.170 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.208 7.722 7.250 1.00 0.00 C ATOM 1218 C ALA A 77 -11.562 8.306 8.465 1.00 0.00 C ATOM 1219 O ALA A 77 -12.176 9.021 9.245 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.717 6.329 7.545 1.00 0.00 C ATOM 0 H ALA A 77 -10.770 6.790 6.055 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.058 8.338 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.443 6.371 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.193 5.919 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.883 5.691 7.837 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.292 8.003 8.599 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.482 8.475 9.690 1.00 0.00 C ATOM 1228 C ASN A 78 -9.236 9.970 9.602 1.00 0.00 C ATOM 1229 O ASN A 78 -8.978 10.628 10.613 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.135 7.754 9.702 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.127 6.345 10.286 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.106 5.915 10.792 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.220 5.637 10.242 1.00 0.00 N ATOM 0 H ASN A 78 -9.787 7.411 7.940 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.028 8.265 10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.766 7.702 8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.427 8.362 10.265 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.235 4.697 10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.061 6.023 9.812 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.314 10.505 8.400 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.032 11.905 8.201 1.00 0.00 C ATOM 1242 C GLY A 79 -7.550 12.118 8.023 1.00 0.00 C ATOM 1243 O GLY A 79 -6.995 13.140 8.425 1.00 0.00 O ATOM 0 H GLY A 79 -9.568 9.993 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.567 12.270 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.389 12.480 9.055 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.916 11.129 7.443 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.514 11.130 7.186 1.00 0.00 C ATOM 1249 C LYS A 80 -5.251 11.621 5.772 1.00 0.00 C ATOM 1250 O LYS A 80 -6.111 12.281 5.165 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.987 9.718 7.370 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.906 9.282 8.821 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.517 7.831 8.940 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.107 7.461 10.368 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.164 7.689 11.377 1.00 0.00 N ATOM 0 H LYS A 80 -7.385 10.279 7.130 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.004 11.799 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.631 9.026 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.995 9.649 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.178 9.899 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.870 9.442 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.354 7.205 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.692 7.620 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.818 6.410 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.226 8.040 10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.776 7.529 12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.509 8.667 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.952 7.031 11.209 1.00 0.00 H new ATOM 1269 N SER A 81 -4.085 11.336 5.266 1.00 0.00 N ATOM 1270 CA SER A 81 -3.705 11.705 3.933 1.00 0.00 C ATOM 1271 C SER A 81 -4.460 10.833 2.897 1.00 0.00 C ATOM 1272 O SER A 81 -5.169 9.871 3.259 1.00 0.00 O ATOM 1273 CB SER A 81 -2.188 11.523 3.804 1.00 0.00 C ATOM 1274 OG SER A 81 -1.690 11.981 2.557 1.00 0.00 O ATOM 0 H SER A 81 -3.360 10.832 5.777 1.00 0.00 H new ATOM 0 HA SER A 81 -3.968 12.744 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.691 12.062 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.940 10.469 3.925 1.00 0.00 H new ATOM 0 HG SER A 81 -0.720 11.846 2.523 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.311 11.175 1.645 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.917 10.444 0.572 1.00 0.00 C ATOM 1282 C GLY A 82 -3.861 10.084 -0.437 1.00 0.00 C ATOM 1283 O GLY A 82 -2.740 9.734 -0.053 1.00 0.00 O ATOM 0 H GLY A 82 -3.759 11.978 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.395 9.542 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.697 11.043 0.102 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.212 10.090 -1.688 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.286 9.912 -2.753 1.00 0.00 C ATOM 1289 C PHE A 83 -3.400 11.125 -3.633 1.00 0.00 C ATOM 1290 O PHE A 83 -4.273 11.977 -3.403 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.660 8.699 -3.587 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.785 7.412 -2.831 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.677 6.816 -2.271 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.014 6.788 -2.700 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.792 5.628 -1.590 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.131 5.599 -2.020 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.019 5.017 -1.464 1.00 0.00 C ATOM 0 H PHE A 83 -5.175 10.222 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.281 9.774 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.608 8.901 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.910 8.571 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.710 7.286 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.891 7.241 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.916 5.172 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.096 5.124 -1.923 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.107 4.083 -0.929 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.571 11.221 -4.616 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.681 12.281 -5.562 1.00 0.00 C ATOM 1309 C LYS A 84 -3.725 11.854 -6.583 1.00 0.00 C ATOM 1310 O LYS A 84 -3.964 10.649 -6.758 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.330 12.555 -6.209 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.248 13.860 -6.998 1.00 0.00 C ATOM 1313 CD LYS A 84 0.180 14.142 -7.441 1.00 0.00 C ATOM 1314 CE LYS A 84 0.656 13.174 -8.508 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.069 13.473 -9.823 1.00 0.00 N ATOM 0 H LYS A 84 -1.803 10.572 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.988 13.212 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.567 12.569 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.089 11.728 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.898 13.803 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.611 14.684 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.244 15.161 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.844 14.083 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.743 13.217 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.395 12.156 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.471 12.832 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.962 13.341 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.282 14.457 -10.083 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.337 12.812 -7.218 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.428 12.637 -8.099 1.00 0.00 C ATOM 1331 C GLN A 85 -5.067 11.860 -9.372 1.00 0.00 C ATOM 1332 O GLN A 85 -4.680 12.439 -10.389 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.025 14.008 -8.424 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.711 14.739 -7.247 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.762 15.137 -6.112 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -4.582 15.418 -6.337 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.247 15.133 -4.902 1.00 0.00 N ATOM 0 H GLN A 85 -4.062 13.789 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.171 12.019 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.231 14.647 -8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.754 13.885 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.200 15.636 -7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.493 14.097 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.227 14.897 -4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.647 15.366 -4.111 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.109 10.568 -9.259 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.905 9.682 -10.355 1.00 0.00 C ATOM 1348 C GLY A 86 -4.934 8.275 -9.843 1.00 0.00 C ATOM 1349 O GLY A 86 -4.304 7.397 -10.431 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.558 8.046 -8.793 1.00 0.00 O ATOM 0 H GLY A 86 -5.291 10.091 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.680 9.827 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.950 9.890 -10.837 1.00 0.00 H new