USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 13 HIS : no HD1:sc= -2.14 K(o=-3.2,f=-4.3!) USER MOD Set 1.2: A 23 SER OG : rot -92:sc= -1.04 USER MOD Set 2.1: A 17 THR OG1 : rot -120:sc= 0.199! USER MOD Set 2.2: A 20 SER OG : rot -170:sc= 0.981 USER MOD Single : A 12 CYS SG : rot 60:sc= -5.39! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -84:sc= 0.175 USER MOD Single : A 33 GLN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= -0.607 (180deg=-7.11!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.886 K(o=0.89,f=-3.3!) USER MOD Single : A 65 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0866 K(o=-0.087,f=-0.67) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -4.406 -15.600 -2.340 1.00 0.00 N ATOM 97 CA ILE A 10 -3.404 -14.570 -2.558 1.00 0.00 C ATOM 98 C ILE A 10 -3.670 -13.398 -1.610 1.00 0.00 C ATOM 99 O ILE A 10 -4.802 -13.189 -1.178 1.00 0.00 O ATOM 100 CB ILE A 10 -3.360 -14.168 -4.034 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.972 -13.654 -4.421 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.458 -13.154 -4.359 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.456 -14.361 -5.676 1.00 0.00 C ATOM 0 HA ILE A 10 -2.410 -14.951 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.554 -15.056 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.014 -12.579 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.277 -13.816 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.404 -12.885 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.433 -13.592 -4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.320 -12.261 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.468 -13.977 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.392 -15.433 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.140 -14.177 -6.504 1.00 0.00 H new ATOM 115 N PHE A 11 -2.607 -12.665 -1.314 1.00 0.00 N ATOM 116 CA PHE A 11 -2.710 -11.521 -0.425 1.00 0.00 C ATOM 117 C PHE A 11 -1.972 -10.311 -1.001 1.00 0.00 C ATOM 118 O PHE A 11 -0.958 -10.463 -1.681 1.00 0.00 O ATOM 119 CB PHE A 11 -2.055 -11.921 0.898 1.00 0.00 C ATOM 120 CG PHE A 11 -2.982 -12.684 1.846 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.202 -14.013 1.659 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.587 -12.033 2.876 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.062 -14.721 2.539 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.448 -12.742 3.755 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.667 -14.071 3.569 1.00 0.00 C ATOM 0 H PHE A 11 -1.669 -12.841 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.756 -11.246 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.181 -12.537 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.698 -11.022 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.722 -14.530 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.413 -10.978 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.236 -15.776 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.929 -12.225 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.321 -14.610 4.239 1.00 0.00 H new ATOM 135 N CYS A 12 -2.508 -9.135 -0.707 1.00 0.00 N ATOM 136 CA CYS A 12 -1.913 -7.900 -1.187 1.00 0.00 C ATOM 137 C CYS A 12 -1.313 -7.159 0.010 1.00 0.00 C ATOM 138 O CYS A 12 -2.004 -6.396 0.682 1.00 0.00 O ATOM 139 CB CYS A 12 -2.928 -7.038 -1.941 1.00 0.00 C ATOM 140 SG CYS A 12 -2.236 -5.370 -2.237 1.00 0.00 S ATOM 0 H CYS A 12 -3.348 -9.012 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.125 -8.128 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.183 -7.509 -2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.851 -6.961 -1.366 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.150 -5.470 -2.944 1.00 0.00 H new ATOM 146 N HIS A 13 -0.032 -7.411 0.239 1.00 0.00 N ATOM 147 CA HIS A 13 0.669 -6.778 1.343 1.00 0.00 C ATOM 148 C HIS A 13 0.877 -5.294 1.035 1.00 0.00 C ATOM 149 O HIS A 13 1.523 -4.946 0.047 1.00 0.00 O ATOM 150 CB HIS A 13 1.978 -7.509 1.647 1.00 0.00 C ATOM 151 CG HIS A 13 1.789 -8.886 2.238 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.914 -10.046 1.494 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.483 -9.275 3.509 1.00 0.00 C ATOM 154 CE1 HIS A 13 1.691 -11.080 2.291 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.424 -10.601 3.539 1.00 0.00 N ATOM 0 H HIS A 13 0.538 -8.045 -0.321 1.00 0.00 H new ATOM 0 HA HIS A 13 0.065 -6.845 2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.556 -7.596 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.567 -6.906 2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.317 -8.616 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.716 -12.120 2.003 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.214 -11.168 4.360 1.00 0.00 H new ATOM 163 N VAL A 14 0.318 -4.459 1.898 1.00 0.00 N ATOM 164 CA VAL A 14 0.434 -3.020 1.731 1.00 0.00 C ATOM 165 C VAL A 14 1.264 -2.442 2.880 1.00 0.00 C ATOM 166 O VAL A 14 0.745 -2.219 3.973 1.00 0.00 O ATOM 167 CB VAL A 14 -0.956 -2.392 1.623 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.882 -0.869 1.754 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.640 -2.796 0.315 1.00 0.00 C ATOM 0 H VAL A 14 -0.217 -4.751 2.716 1.00 0.00 H new ATOM 0 HA VAL A 14 0.955 -2.784 0.803 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.559 -2.771 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.884 -0.448 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.455 -0.607 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.254 -0.466 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.627 -2.336 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.038 -2.460 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.743 -3.881 0.278 1.00 0.00 H new ATOM 179 N TYR A 15 2.537 -2.218 2.593 1.00 0.00 N ATOM 180 CA TYR A 15 3.443 -1.670 3.589 1.00 0.00 C ATOM 181 C TYR A 15 3.158 -0.187 3.834 1.00 0.00 C ATOM 182 O TYR A 15 3.460 0.655 2.990 1.00 0.00 O ATOM 183 CB TYR A 15 4.850 -1.817 3.005 1.00 0.00 C ATOM 184 CG TYR A 15 5.500 -3.174 3.279 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.759 -4.332 3.154 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.827 -3.241 3.652 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.370 -5.610 3.412 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.438 -4.519 3.910 1.00 0.00 C ATOM 189 CZ TYR A 15 6.680 -5.640 3.778 1.00 0.00 C ATOM 190 OH TYR A 15 7.257 -6.847 4.022 1.00 0.00 O ATOM 0 H TYR A 15 2.963 -2.406 1.686 1.00 0.00 H new ATOM 0 HA TYR A 15 3.328 -2.190 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.803 -1.659 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.486 -1.032 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.720 -4.279 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.407 -2.335 3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.802 -6.523 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.476 -4.586 4.202 1.00 0.00 H new ATOM 0 HH TYR A 15 8.195 -6.716 4.272 1.00 0.00 H new ATOM 200 N ILE A 16 2.578 0.087 4.993 1.00 0.00 N ATOM 201 CA ILE A 16 2.248 1.453 5.360 1.00 0.00 C ATOM 202 C ILE A 16 3.539 2.254 5.543 1.00 0.00 C ATOM 203 O ILE A 16 3.728 3.288 4.905 1.00 0.00 O ATOM 204 CB ILE A 16 1.334 1.473 6.587 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.143 0.531 6.399 1.00 0.00 C ATOM 206 CG2 ILE A 16 0.890 2.899 6.917 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.338 -0.020 7.742 1.00 0.00 C ATOM 0 H ILE A 16 2.328 -0.614 5.690 1.00 0.00 H new ATOM 0 HA ILE A 16 1.683 1.935 4.562 1.00 0.00 H new ATOM 0 HB ILE A 16 1.902 1.107 7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.672 1.063 5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.427 -0.293 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.241 2.885 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.766 3.514 7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.346 3.316 6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.185 -0.686 7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.471 -0.572 8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.644 0.805 8.385 1.00 0.00 H new ATOM 219 N THR A 17 4.395 1.745 6.417 1.00 0.00 N ATOM 220 CA THR A 17 5.663 2.399 6.692 1.00 0.00 C ATOM 221 C THR A 17 6.828 1.471 6.344 1.00 0.00 C ATOM 222 O THR A 17 6.780 0.756 5.344 1.00 0.00 O ATOM 223 CB THR A 17 5.657 2.845 8.155 1.00 0.00 C ATOM 224 OG1 THR A 17 5.989 1.664 8.880 1.00 0.00 O ATOM 225 CG2 THR A 17 4.256 3.206 8.653 1.00 0.00 C ATOM 0 H THR A 17 4.235 0.887 6.944 1.00 0.00 H new ATOM 0 HA THR A 17 5.796 3.283 6.068 1.00 0.00 H new ATOM 0 HB THR A 17 6.317 3.705 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.260 1.443 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.309 3.516 9.697 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.856 4.023 8.052 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.604 2.337 8.565 1.00 0.00 H new ATOM 233 N GLU A 18 7.849 1.513 7.188 1.00 0.00 N ATOM 234 CA GLU A 18 9.025 0.685 6.982 1.00 0.00 C ATOM 235 C GLU A 18 8.867 -0.651 7.711 1.00 0.00 C ATOM 236 O GLU A 18 9.374 -1.674 7.255 1.00 0.00 O ATOM 237 CB GLU A 18 10.293 1.411 7.436 1.00 0.00 C ATOM 238 CG GLU A 18 11.543 0.744 6.858 1.00 0.00 C ATOM 239 CD GLU A 18 12.076 1.527 5.656 1.00 0.00 C ATOM 240 OE1 GLU A 18 11.924 2.767 5.674 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.624 0.867 4.747 1.00 0.00 O ATOM 0 H GLU A 18 7.886 2.108 8.016 1.00 0.00 H new ATOM 0 HA GLU A 18 9.123 0.485 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.253 2.453 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.347 1.411 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.314 0.681 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.308 -0.277 6.557 1.00 0.00 H new ATOM 248 N HIS A 19 8.163 -0.598 8.832 1.00 0.00 N ATOM 249 CA HIS A 19 7.932 -1.791 9.628 1.00 0.00 C ATOM 250 C HIS A 19 6.432 -1.960 9.876 1.00 0.00 C ATOM 251 O HIS A 19 6.024 -2.439 10.934 1.00 0.00 O ATOM 252 CB HIS A 19 8.746 -1.746 10.923 1.00 0.00 C ATOM 253 CG HIS A 19 10.196 -1.373 10.724 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.142 -2.267 10.252 1.00 0.00 N ATOM 255 CD2 HIS A 19 10.851 -0.196 10.937 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.310 -1.645 10.189 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.128 -0.362 10.614 1.00 0.00 N ATOM 0 H HIS A 19 7.745 0.253 9.208 1.00 0.00 H new ATOM 0 HA HIS A 19 8.276 -2.669 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.287 -1.029 11.604 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.695 -2.722 11.406 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.406 0.716 11.306 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.243 -2.078 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.854 0.352 10.674 1.00 0.00 H new ATOM 265 N SER A 20 5.651 -1.558 8.885 1.00 0.00 N ATOM 266 CA SER A 20 4.205 -1.659 8.982 1.00 0.00 C ATOM 267 C SER A 20 3.621 -2.120 7.645 1.00 0.00 C ATOM 268 O SER A 20 4.045 -1.659 6.587 1.00 0.00 O ATOM 269 CB SER A 20 3.586 -0.323 9.399 1.00 0.00 C ATOM 270 OG SER A 20 4.449 0.420 10.256 1.00 0.00 O ATOM 0 H SER A 20 5.993 -1.161 8.010 1.00 0.00 H new ATOM 0 HA SER A 20 3.965 -2.395 9.749 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.363 0.266 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.639 -0.505 9.907 1.00 0.00 H new ATOM 0 HG SER A 20 3.962 1.186 10.626 1.00 0.00 H new ATOM 276 N TYR A 21 2.658 -3.026 7.737 1.00 0.00 N ATOM 277 CA TYR A 21 2.012 -3.554 6.548 1.00 0.00 C ATOM 278 C TYR A 21 0.650 -4.162 6.888 1.00 0.00 C ATOM 279 O TYR A 21 0.287 -4.264 8.059 1.00 0.00 O ATOM 280 CB TYR A 21 2.933 -4.658 6.023 1.00 0.00 C ATOM 281 CG TYR A 21 2.736 -6.011 6.709 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.354 -6.269 7.916 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.940 -6.974 6.122 1.00 0.00 C ATOM 284 CE1 TYR A 21 3.169 -7.543 8.561 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.755 -8.247 6.767 1.00 0.00 C ATOM 286 CZ TYR A 21 2.379 -8.469 7.955 1.00 0.00 C ATOM 287 OH TYR A 21 2.204 -9.672 8.565 1.00 0.00 O ATOM 0 H TYR A 21 2.310 -3.407 8.617 1.00 0.00 H new ATOM 0 HA TYR A 21 1.848 -2.763 5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.767 -4.777 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.969 -4.344 6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.976 -5.516 8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.456 -6.772 5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.647 -7.758 9.505 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.135 -9.009 6.318 1.00 0.00 H new ATOM 0 HH TYR A 21 1.615 -10.233 8.019 1.00 0.00 H new ATOM 297 N VAL A 22 -0.067 -4.551 5.844 1.00 0.00 N ATOM 298 CA VAL A 22 -1.381 -5.146 6.018 1.00 0.00 C ATOM 299 C VAL A 22 -1.573 -6.258 4.984 1.00 0.00 C ATOM 300 O VAL A 22 -1.274 -6.073 3.806 1.00 0.00 O ATOM 301 CB VAL A 22 -2.460 -4.064 5.939 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.772 -4.553 6.555 1.00 0.00 C ATOM 303 CG2 VAL A 22 -1.989 -2.771 6.608 1.00 0.00 C ATOM 0 H VAL A 22 0.237 -4.466 4.874 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.467 -5.601 7.005 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.643 -3.849 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.522 -3.765 6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.121 -5.434 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.609 -4.809 7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.774 -2.018 6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.765 -2.965 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.092 -2.408 6.106 1.00 0.00 H new ATOM 313 N SER A 23 -2.071 -7.388 5.464 1.00 0.00 N ATOM 314 CA SER A 23 -2.307 -8.529 4.596 1.00 0.00 C ATOM 315 C SER A 23 -3.751 -8.513 4.090 1.00 0.00 C ATOM 316 O SER A 23 -4.659 -8.976 4.779 1.00 0.00 O ATOM 317 CB SER A 23 -2.014 -9.843 5.323 1.00 0.00 C ATOM 318 OG SER A 23 -0.929 -10.551 4.730 1.00 0.00 O ATOM 0 H SER A 23 -2.317 -7.538 6.442 1.00 0.00 H new ATOM 0 HA SER A 23 -1.630 -8.457 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.783 -9.636 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.905 -10.470 5.312 1.00 0.00 H new ATOM 0 HG SER A 23 -1.275 -11.181 4.064 1.00 0.00 H new ATOM 324 N VAL A 24 -3.918 -7.975 2.891 1.00 0.00 N ATOM 325 CA VAL A 24 -5.236 -7.892 2.285 1.00 0.00 C ATOM 326 C VAL A 24 -5.458 -9.113 1.389 1.00 0.00 C ATOM 327 O VAL A 24 -4.713 -9.330 0.435 1.00 0.00 O ATOM 328 CB VAL A 24 -5.386 -6.566 1.537 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.750 -6.474 0.852 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.162 -5.379 2.476 1.00 0.00 C ATOM 0 H VAL A 24 -3.162 -7.592 2.323 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.011 -7.906 3.052 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.620 -6.530 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.830 -5.522 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.855 -7.291 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.539 -6.543 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.274 -4.449 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.894 -5.410 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.157 -5.432 2.896 1.00 0.00 H new ATOM 340 N LYS A 25 -6.486 -9.876 1.728 1.00 0.00 N ATOM 341 CA LYS A 25 -6.816 -11.069 0.966 1.00 0.00 C ATOM 342 C LYS A 25 -7.765 -10.695 -0.174 1.00 0.00 C ATOM 343 O LYS A 25 -8.971 -10.569 0.034 1.00 0.00 O ATOM 344 CB LYS A 25 -7.363 -12.160 1.889 1.00 0.00 C ATOM 345 CG LYS A 25 -7.215 -13.543 1.250 1.00 0.00 C ATOM 346 CD LYS A 25 -7.883 -14.618 2.110 1.00 0.00 C ATOM 347 CE LYS A 25 -7.570 -16.018 1.578 1.00 0.00 C ATOM 348 NZ LYS A 25 -8.471 -17.019 2.192 1.00 0.00 N ATOM 0 H LYS A 25 -7.102 -9.692 2.520 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.920 -11.489 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.832 -12.136 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.414 -11.966 2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.662 -13.538 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.158 -13.778 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.538 -14.531 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.962 -14.462 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.683 -16.035 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.533 -16.272 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.245 -17.964 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.344 -17.014 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.458 -16.784 1.964 1.00 0.00 H new ATOM 362 N ALA A 26 -7.185 -10.526 -1.353 1.00 0.00 N ATOM 363 CA ALA A 26 -7.964 -10.169 -2.526 1.00 0.00 C ATOM 364 C ALA A 26 -7.949 -11.334 -3.518 1.00 0.00 C ATOM 365 O ALA A 26 -7.341 -12.370 -3.254 1.00 0.00 O ATOM 366 CB ALA A 26 -7.410 -8.879 -3.134 1.00 0.00 C ATOM 0 H ALA A 26 -6.184 -10.630 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.003 -9.982 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.995 -8.611 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.471 -8.076 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.370 -9.030 -3.422 1.00 0.00 H new ATOM 372 N LYS A 27 -8.626 -11.125 -4.638 1.00 0.00 N ATOM 373 CA LYS A 27 -8.698 -12.145 -5.670 1.00 0.00 C ATOM 374 C LYS A 27 -7.413 -12.116 -6.500 1.00 0.00 C ATOM 375 O LYS A 27 -6.576 -11.231 -6.325 1.00 0.00 O ATOM 376 CB LYS A 27 -9.971 -11.976 -6.502 1.00 0.00 C ATOM 377 CG LYS A 27 -11.205 -11.886 -5.603 1.00 0.00 C ATOM 378 CD LYS A 27 -11.852 -13.260 -5.420 1.00 0.00 C ATOM 379 CE LYS A 27 -13.129 -13.159 -4.582 1.00 0.00 C ATOM 380 NZ LYS A 27 -12.822 -13.346 -3.147 1.00 0.00 N ATOM 0 H LYS A 27 -9.129 -10.264 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.767 -13.136 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.894 -11.076 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.076 -12.817 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.923 -11.481 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.927 -11.195 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.086 -13.688 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.147 -13.936 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.597 -12.187 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.846 -13.913 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.699 -13.275 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.396 -14.284 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.155 -12.611 -2.836 1.00 0.00 H new ATOM 394 N VAL A 28 -7.296 -13.095 -7.385 1.00 0.00 N ATOM 395 CA VAL A 28 -6.126 -13.193 -8.242 1.00 0.00 C ATOM 396 C VAL A 28 -6.234 -12.159 -9.365 1.00 0.00 C ATOM 397 O VAL A 28 -5.287 -11.961 -10.124 1.00 0.00 O ATOM 398 CB VAL A 28 -5.976 -14.624 -8.761 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.592 -15.580 -7.629 1.00 0.00 C ATOM 400 CG2 VAL A 28 -7.254 -15.090 -9.462 1.00 0.00 C ATOM 0 H VAL A 28 -7.992 -13.827 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.220 -12.969 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.170 -14.632 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.492 -16.591 -8.025 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.644 -15.265 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.367 -15.566 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.120 -16.110 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.087 -15.059 -8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.467 -14.433 -10.305 1.00 0.00 H new ATOM 410 N SER A 29 -7.396 -11.526 -9.433 1.00 0.00 N ATOM 411 CA SER A 29 -7.640 -10.517 -10.450 1.00 0.00 C ATOM 412 C SER A 29 -8.193 -9.245 -9.804 1.00 0.00 C ATOM 413 O SER A 29 -8.783 -8.406 -10.482 1.00 0.00 O ATOM 414 CB SER A 29 -8.607 -11.033 -11.518 1.00 0.00 C ATOM 415 OG SER A 29 -8.564 -12.453 -11.635 1.00 0.00 O ATOM 0 H SER A 29 -8.179 -11.692 -8.801 1.00 0.00 H new ATOM 0 HA SER A 29 -6.692 -10.287 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.621 -10.720 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.360 -10.582 -12.479 1.00 0.00 H new ATOM 0 HG SER A 29 -9.196 -12.744 -12.325 1.00 0.00 H new ATOM 421 N SER A 30 -7.982 -9.143 -8.499 1.00 0.00 N ATOM 422 CA SER A 30 -8.452 -7.988 -7.754 1.00 0.00 C ATOM 423 C SER A 30 -7.584 -6.770 -8.075 1.00 0.00 C ATOM 424 O SER A 30 -6.385 -6.903 -8.314 1.00 0.00 O ATOM 425 CB SER A 30 -8.445 -8.263 -6.249 1.00 0.00 C ATOM 426 OG SER A 30 -9.763 -8.394 -5.723 1.00 0.00 O ATOM 0 H SER A 30 -7.492 -9.841 -7.940 1.00 0.00 H new ATOM 0 HA SER A 30 -9.480 -7.783 -8.054 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.883 -9.176 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.929 -7.452 -5.735 1.00 0.00 H new ATOM 0 HG SER A 30 -10.126 -7.505 -5.526 1.00 0.00 H new ATOM 432 N ILE A 31 -8.224 -5.609 -8.070 1.00 0.00 N ATOM 433 CA ILE A 31 -7.526 -4.368 -8.358 1.00 0.00 C ATOM 434 C ILE A 31 -6.982 -3.780 -7.054 1.00 0.00 C ATOM 435 O ILE A 31 -7.360 -4.215 -5.967 1.00 0.00 O ATOM 436 CB ILE A 31 -8.432 -3.411 -9.134 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.797 -3.276 -8.455 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.559 -3.841 -10.597 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.545 -2.044 -8.968 1.00 0.00 C ATOM 0 H ILE A 31 -9.219 -5.502 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.670 -4.554 -9.006 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.971 -2.423 -9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.391 -4.171 -8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.665 -3.202 -7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.209 -3.144 -11.126 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.573 -3.843 -11.062 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.986 -4.843 -10.646 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.512 -1.972 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.960 -1.149 -8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.697 -2.133 -10.044 1.00 0.00 H new ATOM 451 N ALA A 32 -6.105 -2.799 -7.205 1.00 0.00 N ATOM 452 CA ALA A 32 -5.506 -2.147 -6.054 1.00 0.00 C ATOM 453 C ALA A 32 -6.608 -1.516 -5.200 1.00 0.00 C ATOM 454 O ALA A 32 -6.591 -1.631 -3.975 1.00 0.00 O ATOM 455 CB ALA A 32 -4.475 -1.119 -6.527 1.00 0.00 C ATOM 0 H ALA A 32 -5.795 -2.440 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.981 -2.873 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.026 -0.630 -5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.699 -1.621 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.966 -0.373 -7.152 1.00 0.00 H new ATOM 461 N GLN A 33 -7.539 -0.863 -5.880 1.00 0.00 N ATOM 462 CA GLN A 33 -8.646 -0.215 -5.199 1.00 0.00 C ATOM 463 C GLN A 33 -9.286 -1.174 -4.193 1.00 0.00 C ATOM 464 O GLN A 33 -9.580 -0.788 -3.063 1.00 0.00 O ATOM 465 CB GLN A 33 -9.681 0.299 -6.202 1.00 0.00 C ATOM 466 CG GLN A 33 -11.006 0.620 -5.506 1.00 0.00 C ATOM 467 CD GLN A 33 -11.477 2.034 -5.850 1.00 0.00 C ATOM 468 OE1 GLN A 33 -12.496 2.239 -6.489 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.680 2.996 -5.392 1.00 0.00 N ATOM 0 H GLN A 33 -7.549 -0.769 -6.896 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.258 0.645 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.300 1.192 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.845 -0.450 -6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.764 -0.103 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.886 0.525 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.842 2.755 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.908 3.974 -5.569 1.00 0.00 H new ATOM 478 N GLU A 34 -9.482 -2.405 -4.640 1.00 0.00 N ATOM 479 CA GLU A 34 -10.081 -3.423 -3.793 1.00 0.00 C ATOM 480 C GLU A 34 -9.237 -3.630 -2.534 1.00 0.00 C ATOM 481 O GLU A 34 -9.699 -4.229 -1.564 1.00 0.00 O ATOM 482 CB GLU A 34 -10.259 -4.737 -4.557 1.00 0.00 C ATOM 483 CG GLU A 34 -11.439 -4.651 -5.527 1.00 0.00 C ATOM 484 CD GLU A 34 -12.616 -5.496 -5.035 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.350 -6.630 -4.580 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.755 -4.989 -5.125 1.00 0.00 O ATOM 0 H GLU A 34 -9.237 -2.721 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.071 -3.080 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.347 -4.968 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.421 -5.553 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.752 -3.612 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.129 -4.993 -6.514 1.00 0.00 H new ATOM 493 N ILE A 35 -8.014 -3.123 -2.590 1.00 0.00 N ATOM 494 CA ILE A 35 -7.101 -3.246 -1.467 1.00 0.00 C ATOM 495 C ILE A 35 -7.053 -1.918 -0.707 1.00 0.00 C ATOM 496 O ILE A 35 -7.248 -1.887 0.507 1.00 0.00 O ATOM 497 CB ILE A 35 -5.730 -3.733 -1.941 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.870 -4.719 -3.102 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.927 -4.324 -0.780 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.473 -6.042 -2.628 1.00 0.00 C ATOM 0 H ILE A 35 -7.634 -2.626 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.457 -4.002 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.172 -2.874 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.501 -4.285 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.893 -4.900 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.957 -4.663 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.782 -3.563 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.470 -5.168 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.562 -6.725 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.828 -6.485 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.460 -5.860 -2.203 1.00 0.00 H new ATOM 512 N LEU A 36 -6.793 -0.855 -1.454 1.00 0.00 N ATOM 513 CA LEU A 36 -6.718 0.472 -0.866 1.00 0.00 C ATOM 514 C LEU A 36 -7.986 0.738 -0.053 1.00 0.00 C ATOM 515 O LEU A 36 -7.923 1.316 1.031 1.00 0.00 O ATOM 516 CB LEU A 36 -6.448 1.521 -1.946 1.00 0.00 C ATOM 517 CG LEU A 36 -6.124 2.931 -1.445 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.672 3.025 -0.974 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.450 3.979 -2.510 1.00 0.00 C ATOM 0 H LEU A 36 -6.632 -0.885 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.878 0.536 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.617 1.175 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.322 1.579 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.756 3.141 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.468 4.037 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.507 2.319 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.005 2.787 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.211 4.972 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.861 3.783 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.511 3.931 -2.755 1.00 0.00 H new ATOM 531 N LYS A 37 -9.108 0.304 -0.608 1.00 0.00 N ATOM 532 CA LYS A 37 -10.390 0.488 0.052 1.00 0.00 C ATOM 533 C LYS A 37 -10.397 -0.292 1.368 1.00 0.00 C ATOM 534 O LYS A 37 -11.067 0.100 2.322 1.00 0.00 O ATOM 535 CB LYS A 37 -11.536 0.115 -0.891 1.00 0.00 C ATOM 536 CG LYS A 37 -11.471 -1.364 -1.275 1.00 0.00 C ATOM 537 CD LYS A 37 -12.602 -2.153 -0.613 1.00 0.00 C ATOM 538 CE LYS A 37 -12.668 -3.581 -1.158 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.991 -4.183 -0.878 1.00 0.00 N ATOM 0 H LYS A 37 -9.156 -0.175 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.543 1.538 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.491 0.328 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.487 0.730 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.538 -1.465 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.509 -1.779 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.449 -2.179 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.552 -1.649 -0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.485 -3.575 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.883 -4.186 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.018 -5.152 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.151 -4.206 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.734 -3.614 -1.332 1.00 0.00 H new ATOM 553 N VAL A 38 -9.645 -1.383 1.377 1.00 0.00 N ATOM 554 CA VAL A 38 -9.557 -2.221 2.560 1.00 0.00 C ATOM 555 C VAL A 38 -8.482 -1.663 3.497 1.00 0.00 C ATOM 556 O VAL A 38 -8.749 -1.405 4.669 1.00 0.00 O ATOM 557 CB VAL A 38 -9.300 -3.674 2.155 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.473 -4.615 3.348 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.207 -4.087 0.994 1.00 0.00 C ATOM 0 H VAL A 38 -9.091 -1.706 0.584 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.501 -2.211 3.105 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.267 -3.750 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.285 -5.641 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.768 -4.341 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.490 -4.534 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.005 -5.124 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.250 -3.987 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.013 -3.445 0.135 1.00 0.00 H new ATOM 569 N VAL A 39 -7.291 -1.494 2.943 1.00 0.00 N ATOM 570 CA VAL A 39 -6.175 -0.971 3.714 1.00 0.00 C ATOM 571 C VAL A 39 -6.591 0.342 4.380 1.00 0.00 C ATOM 572 O VAL A 39 -6.461 0.495 5.593 1.00 0.00 O ATOM 573 CB VAL A 39 -4.944 -0.823 2.818 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.724 -0.384 3.631 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.658 -2.121 2.059 1.00 0.00 C ATOM 0 H VAL A 39 -7.074 -1.710 1.970 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.901 -1.665 4.508 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.156 -0.045 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.863 -0.286 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.929 0.576 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.511 -1.129 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.778 -1.988 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.477 -2.926 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.515 -2.374 1.435 1.00 0.00 H new ATOM 585 N ALA A 40 -7.084 1.256 3.556 1.00 0.00 N ATOM 586 CA ALA A 40 -7.520 2.551 4.050 1.00 0.00 C ATOM 587 C ALA A 40 -8.165 2.376 5.427 1.00 0.00 C ATOM 588 O ALA A 40 -7.892 3.146 6.346 1.00 0.00 O ATOM 589 CB ALA A 40 -8.472 3.189 3.037 1.00 0.00 C ATOM 0 H ALA A 40 -7.191 1.125 2.550 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.670 3.223 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.799 4.161 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.957 3.318 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.339 2.544 2.896 1.00 0.00 H new ATOM 595 N GLU A 41 -9.008 1.358 5.525 1.00 0.00 N ATOM 596 CA GLU A 41 -9.693 1.073 6.774 1.00 0.00 C ATOM 597 C GLU A 41 -8.716 0.486 7.794 1.00 0.00 C ATOM 598 O GLU A 41 -8.691 0.908 8.949 1.00 0.00 O ATOM 599 CB GLU A 41 -10.878 0.132 6.546 1.00 0.00 C ATOM 600 CG GLU A 41 -11.680 0.550 5.312 1.00 0.00 C ATOM 601 CD GLU A 41 -13.136 0.848 5.678 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.823 -0.108 6.098 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.528 2.026 5.531 1.00 0.00 O ATOM 0 H GLU A 41 -9.232 0.721 4.760 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.085 2.009 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.517 -0.889 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.525 0.137 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.227 1.433 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.644 -0.243 4.565 1.00 0.00 H new ATOM 610 N LYS A 42 -7.935 -0.479 7.330 1.00 0.00 N ATOM 611 CA LYS A 42 -6.958 -1.128 8.188 1.00 0.00 C ATOM 612 C LYS A 42 -6.073 -0.064 8.842 1.00 0.00 C ATOM 613 O LYS A 42 -5.452 -0.317 9.873 1.00 0.00 O ATOM 614 CB LYS A 42 -6.175 -2.183 7.405 1.00 0.00 C ATOM 615 CG LYS A 42 -6.587 -3.596 7.824 1.00 0.00 C ATOM 616 CD LYS A 42 -8.098 -3.790 7.682 1.00 0.00 C ATOM 617 CE LYS A 42 -8.498 -3.917 6.210 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.849 -3.353 5.990 1.00 0.00 N ATOM 0 H LYS A 42 -7.959 -0.827 6.371 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.457 -1.667 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.349 -2.051 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.107 -2.047 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.063 -4.329 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.289 -3.774 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.406 -4.684 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.621 -2.947 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.774 -3.396 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.482 -4.965 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.491 -4.106 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.205 -2.949 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.800 -2.608 5.266 1.00 0.00 H new ATOM 632 N ILE A 43 -6.043 1.102 8.214 1.00 0.00 N ATOM 633 CA ILE A 43 -5.245 2.205 8.722 1.00 0.00 C ATOM 634 C ILE A 43 -6.173 3.301 9.249 1.00 0.00 C ATOM 635 O ILE A 43 -5.759 4.139 10.048 1.00 0.00 O ATOM 636 CB ILE A 43 -4.262 2.691 7.655 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.901 3.763 6.769 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.720 1.519 6.835 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.867 4.382 5.826 1.00 0.00 C ATOM 0 H ILE A 43 -6.558 1.307 7.358 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.632 1.876 9.561 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.412 3.153 8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.712 3.324 6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.341 4.541 7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.024 1.892 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.203 0.822 7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.546 1.007 6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.347 5.141 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.070 4.841 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.447 3.606 5.187 1.00 0.00 H new ATOM 651 N GLN A 44 -7.411 3.260 8.778 1.00 0.00 N ATOM 652 CA GLN A 44 -8.402 4.240 9.192 1.00 0.00 C ATOM 653 C GLN A 44 -8.186 5.559 8.448 1.00 0.00 C ATOM 654 O GLN A 44 -7.985 6.601 9.070 1.00 0.00 O ATOM 655 CB GLN A 44 -8.364 4.452 10.706 1.00 0.00 C ATOM 656 CG GLN A 44 -8.297 3.114 11.446 1.00 0.00 C ATOM 657 CD GLN A 44 -8.578 3.298 12.939 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.673 3.065 13.424 1.00 0.00 O ATOM 659 NE2 GLN A 44 -7.531 3.727 13.637 1.00 0.00 N ATOM 0 H GLN A 44 -7.751 2.564 8.114 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.391 3.859 8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.499 5.061 10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.250 5.002 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.022 2.421 11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.312 2.668 11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.643 3.903 13.168 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.616 3.881 14.642 1.00 0.00 H new ATOM 668 N TYR A 45 -8.234 5.472 7.127 1.00 0.00 N ATOM 669 CA TYR A 45 -8.046 6.646 6.292 1.00 0.00 C ATOM 670 C TYR A 45 -9.039 6.655 5.127 1.00 0.00 C ATOM 671 O TYR A 45 -10.044 5.946 5.158 1.00 0.00 O ATOM 672 CB TYR A 45 -6.625 6.544 5.734 1.00 0.00 C ATOM 673 CG TYR A 45 -5.697 7.674 6.185 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.638 8.848 5.462 1.00 0.00 C ATOM 675 CD2 TYR A 45 -4.920 7.519 7.314 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.765 9.912 5.886 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.047 8.583 7.738 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.012 9.727 7.003 1.00 0.00 C ATOM 679 OH TYR A 45 -3.188 10.731 7.403 1.00 0.00 O ATOM 0 H TYR A 45 -8.400 4.606 6.614 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.204 7.557 6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.194 5.590 6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.673 6.539 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.247 8.969 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.966 6.600 7.880 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.710 10.836 5.329 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.434 8.475 8.620 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.712 10.460 8.216 1.00 0.00 H new ATOM 689 N ALA A 46 -8.722 7.465 4.128 1.00 0.00 N ATOM 690 CA ALA A 46 -9.573 7.576 2.956 1.00 0.00 C ATOM 691 C ALA A 46 -8.831 7.022 1.738 1.00 0.00 C ATOM 692 O ALA A 46 -7.900 7.650 1.236 1.00 0.00 O ATOM 693 CB ALA A 46 -9.996 9.034 2.767 1.00 0.00 C ATOM 0 H ALA A 46 -7.887 8.051 4.106 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.481 6.988 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.634 9.117 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.545 9.371 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.111 9.655 2.632 1.00 0.00 H new ATOM 699 N GLU A 47 -9.271 5.853 1.297 1.00 0.00 N ATOM 700 CA GLU A 47 -8.660 5.208 0.147 1.00 0.00 C ATOM 701 C GLU A 47 -8.498 6.208 -0.999 1.00 0.00 C ATOM 702 O GLU A 47 -7.466 6.231 -1.667 1.00 0.00 O ATOM 703 CB GLU A 47 -9.476 3.992 -0.297 1.00 0.00 C ATOM 704 CG GLU A 47 -10.947 4.362 -0.496 1.00 0.00 C ATOM 705 CD GLU A 47 -11.731 3.191 -1.093 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.470 2.878 -2.274 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.573 2.637 -0.355 1.00 0.00 O ATOM 0 H GLU A 47 -10.044 5.335 1.715 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.670 4.854 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.068 3.596 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.394 3.202 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.386 4.649 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.022 5.228 -1.154 1.00 0.00 H new ATOM 714 N GLU A 48 -9.534 7.012 -1.191 1.00 0.00 N ATOM 715 CA GLU A 48 -9.520 8.012 -2.245 1.00 0.00 C ATOM 716 C GLU A 48 -8.386 9.012 -2.012 1.00 0.00 C ATOM 717 O GLU A 48 -7.951 9.690 -2.941 1.00 0.00 O ATOM 718 CB GLU A 48 -10.870 8.725 -2.342 1.00 0.00 C ATOM 719 CG GLU A 48 -11.335 9.208 -0.967 1.00 0.00 C ATOM 720 CD GLU A 48 -12.415 10.284 -1.100 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.598 9.892 -1.198 1.00 0.00 O ATOM 722 OE2 GLU A 48 -12.033 11.474 -1.100 1.00 0.00 O ATOM 0 H GLU A 48 -10.388 6.991 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.344 7.508 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.789 9.574 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.613 8.048 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.724 8.366 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.486 9.606 -0.411 1.00 0.00 H new ATOM 729 N ASP A 49 -7.941 9.073 -0.766 1.00 0.00 N ATOM 730 CA ASP A 49 -6.866 9.980 -0.398 1.00 0.00 C ATOM 731 C ASP A 49 -5.542 9.213 -0.378 1.00 0.00 C ATOM 732 O ASP A 49 -4.479 9.806 -0.204 1.00 0.00 O ATOM 733 CB ASP A 49 -7.094 10.568 0.996 1.00 0.00 C ATOM 734 CG ASP A 49 -8.267 11.544 1.102 1.00 0.00 C ATOM 735 OD1 ASP A 49 -8.454 12.313 0.135 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.950 11.498 2.148 1.00 0.00 O ATOM 0 H ASP A 49 -8.305 8.509 0.002 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.841 10.788 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.258 9.749 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.185 11.080 1.311 1.00 0.00 H new ATOM 741 N LEU A 50 -5.650 7.904 -0.557 1.00 0.00 N ATOM 742 CA LEU A 50 -4.475 7.050 -0.562 1.00 0.00 C ATOM 743 C LEU A 50 -4.204 6.569 -1.989 1.00 0.00 C ATOM 744 O LEU A 50 -4.938 6.915 -2.913 1.00 0.00 O ATOM 745 CB LEU A 50 -4.636 5.913 0.450 1.00 0.00 C ATOM 746 CG LEU A 50 -4.796 6.334 1.912 1.00 0.00 C ATOM 747 CD1 LEU A 50 -4.953 5.113 2.820 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.640 7.233 2.354 1.00 0.00 C ATOM 0 H LEU A 50 -6.534 7.415 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.596 7.610 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.506 5.321 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.767 5.260 0.374 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.711 6.920 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.065 5.440 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.836 4.548 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.070 4.479 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.779 7.518 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.699 6.694 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.618 8.129 1.733 1.00 0.00 H new ATOM 760 N ALA A 51 -3.148 5.780 -2.123 1.00 0.00 N ATOM 761 CA ALA A 51 -2.772 5.249 -3.422 1.00 0.00 C ATOM 762 C ALA A 51 -1.696 4.177 -3.237 1.00 0.00 C ATOM 763 O ALA A 51 -0.829 4.305 -2.374 1.00 0.00 O ATOM 764 CB ALA A 51 -2.306 6.392 -4.326 1.00 0.00 C ATOM 0 H ALA A 51 -2.541 5.496 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.628 4.778 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.024 5.993 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.115 7.112 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.446 6.886 -3.874 1.00 0.00 H new ATOM 770 N LEU A 52 -1.787 3.144 -4.061 1.00 0.00 N ATOM 771 CA LEU A 52 -0.833 2.050 -3.999 1.00 0.00 C ATOM 772 C LEU A 52 0.413 2.420 -4.807 1.00 0.00 C ATOM 773 O LEU A 52 0.331 2.640 -6.015 1.00 0.00 O ATOM 774 CB LEU A 52 -1.488 0.741 -4.444 1.00 0.00 C ATOM 775 CG LEU A 52 -2.734 0.316 -3.664 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.641 0.753 -2.201 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.006 0.836 -4.337 1.00 0.00 C ATOM 0 H LEU A 52 -2.507 3.041 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.510 1.884 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.756 0.831 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.748 -0.056 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.787 -0.773 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.539 0.438 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.767 0.294 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.551 1.838 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.877 0.520 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.976 1.925 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.073 0.434 -5.348 1.00 0.00 H new ATOM 789 N VAL A 53 1.537 2.477 -4.108 1.00 0.00 N ATOM 790 CA VAL A 53 2.798 2.816 -4.746 1.00 0.00 C ATOM 791 C VAL A 53 3.778 1.653 -4.579 1.00 0.00 C ATOM 792 O VAL A 53 4.063 1.232 -3.459 1.00 0.00 O ATOM 793 CB VAL A 53 3.332 4.134 -4.180 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.198 5.138 -3.965 1.00 0.00 C ATOM 795 CG2 VAL A 53 4.110 3.899 -2.884 1.00 0.00 C ATOM 0 H VAL A 53 1.601 2.294 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 53 2.656 2.970 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 53 4.020 4.558 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.605 6.066 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.706 5.340 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.474 4.724 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.478 4.851 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.454 3.441 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.953 3.236 -3.081 1.00 0.00 H new ATOM 805 N ALA A 54 4.267 1.166 -5.710 1.00 0.00 N ATOM 806 CA ALA A 54 5.209 0.060 -5.703 1.00 0.00 C ATOM 807 C ALA A 54 6.627 0.602 -5.894 1.00 0.00 C ATOM 808 O ALA A 54 6.811 1.691 -6.434 1.00 0.00 O ATOM 809 CB ALA A 54 4.820 -0.949 -6.786 1.00 0.00 C ATOM 0 H ALA A 54 4.028 1.517 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 54 5.181 -0.461 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.527 -1.779 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.816 -1.326 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.839 -0.462 -7.761 1.00 0.00 H new ATOM 815 N ILE A 55 7.592 -0.184 -5.440 1.00 0.00 N ATOM 816 CA ILE A 55 8.988 0.204 -5.554 1.00 0.00 C ATOM 817 C ILE A 55 9.766 -0.909 -6.258 1.00 0.00 C ATOM 818 O ILE A 55 9.349 -2.067 -6.246 1.00 0.00 O ATOM 819 CB ILE A 55 9.554 0.577 -4.182 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.554 1.418 -3.386 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.909 1.274 -4.319 1.00 0.00 C ATOM 822 CD1 ILE A 55 9.265 2.246 -2.314 1.00 0.00 C ATOM 0 H ILE A 55 7.435 -1.087 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 55 9.086 1.099 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 55 9.720 -0.342 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.011 2.080 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.817 0.766 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.289 1.528 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.612 0.607 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.792 2.184 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.532 2.834 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.787 1.580 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.984 2.914 -2.788 1.00 0.00 H new ATOM 834 N THR A 56 10.883 -0.520 -6.856 1.00 0.00 N ATOM 835 CA THR A 56 11.723 -1.471 -7.564 1.00 0.00 C ATOM 836 C THR A 56 13.069 -1.626 -6.854 1.00 0.00 C ATOM 837 O THR A 56 13.389 -0.857 -5.948 1.00 0.00 O ATOM 838 CB THR A 56 11.851 -0.999 -9.014 1.00 0.00 C ATOM 839 OG1 THR A 56 12.692 -1.975 -9.623 1.00 0.00 O ATOM 840 CG2 THR A 56 12.643 0.304 -9.138 1.00 0.00 C ATOM 0 H THR A 56 11.226 0.441 -6.865 1.00 0.00 H new ATOM 0 HA THR A 56 11.278 -2.466 -7.568 1.00 0.00 H new ATOM 0 HB THR A 56 10.857 -0.862 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.827 -1.748 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.704 0.594 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.142 1.090 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.648 0.158 -8.743 1.00 0.00 H new ATOM 848 N PHE A 57 13.821 -2.624 -7.292 1.00 0.00 N ATOM 849 CA PHE A 57 15.126 -2.889 -6.710 1.00 0.00 C ATOM 850 C PHE A 57 16.105 -1.755 -7.017 1.00 0.00 C ATOM 851 O PHE A 57 16.877 -1.838 -7.971 1.00 0.00 O ATOM 852 CB PHE A 57 15.645 -4.181 -7.345 1.00 0.00 C ATOM 853 CG PHE A 57 17.123 -4.462 -7.064 1.00 0.00 C ATOM 854 CD1 PHE A 57 17.595 -4.409 -5.790 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.963 -4.765 -8.090 1.00 0.00 C ATOM 856 CE1 PHE A 57 18.967 -4.669 -5.531 1.00 0.00 C ATOM 857 CE2 PHE A 57 19.335 -5.026 -7.830 1.00 0.00 C ATOM 858 CZ PHE A 57 19.808 -4.972 -6.556 1.00 0.00 C ATOM 0 H PHE A 57 13.552 -3.259 -8.043 1.00 0.00 H new ATOM 0 HA PHE A 57 15.039 -2.974 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.051 -5.018 -6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.494 -4.130 -8.423 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.927 -4.169 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.587 -4.807 -9.102 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.343 -4.626 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.002 -5.267 -8.644 1.00 0.00 H new ATOM 0 HZ PHE A 57 20.851 -5.170 -6.358 1.00 0.00 H new ATOM 868 N SER A 58 16.041 -0.720 -6.192 1.00 0.00 N ATOM 869 CA SER A 58 16.912 0.430 -6.364 1.00 0.00 C ATOM 870 C SER A 58 16.453 1.574 -5.457 1.00 0.00 C ATOM 871 O SER A 58 17.271 2.362 -4.985 1.00 0.00 O ATOM 872 CB SER A 58 16.938 0.887 -7.823 1.00 0.00 C ATOM 873 OG SER A 58 16.541 2.248 -7.963 1.00 0.00 O ATOM 0 H SER A 58 15.399 -0.654 -5.402 1.00 0.00 H new ATOM 0 HA SER A 58 17.924 0.138 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.943 0.759 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.276 0.254 -8.413 1.00 0.00 H new ATOM 0 HG SER A 58 16.572 2.502 -8.909 1.00 0.00 H new ATOM 879 N GLY A 59 15.147 1.628 -5.241 1.00 0.00 N ATOM 880 CA GLY A 59 14.570 2.662 -4.399 1.00 0.00 C ATOM 881 C GLY A 59 13.867 3.727 -5.243 1.00 0.00 C ATOM 882 O GLY A 59 14.313 4.872 -5.302 1.00 0.00 O ATOM 0 H GLY A 59 14.472 0.972 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.859 2.215 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.353 3.126 -3.799 1.00 0.00 H new ATOM 886 N GLU A 60 12.779 3.312 -5.876 1.00 0.00 N ATOM 887 CA GLU A 60 12.010 4.215 -6.714 1.00 0.00 C ATOM 888 C GLU A 60 10.512 3.968 -6.526 1.00 0.00 C ATOM 889 O GLU A 60 9.999 2.918 -6.910 1.00 0.00 O ATOM 890 CB GLU A 60 12.409 4.073 -8.185 1.00 0.00 C ATOM 891 CG GLU A 60 13.678 4.871 -8.489 1.00 0.00 C ATOM 892 CD GLU A 60 13.745 5.253 -9.969 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.919 4.324 -10.787 1.00 0.00 O ATOM 894 OE2 GLU A 60 13.619 6.464 -10.248 1.00 0.00 O ATOM 0 H GLU A 60 12.412 2.362 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 60 12.231 5.238 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.571 3.021 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.595 4.421 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.701 5.772 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.555 4.282 -8.222 1.00 0.00 H new ATOM 901 N LYS A 61 9.852 4.953 -5.934 1.00 0.00 N ATOM 902 CA LYS A 61 8.423 4.856 -5.690 1.00 0.00 C ATOM 903 C LYS A 61 7.672 5.018 -7.013 1.00 0.00 C ATOM 904 O LYS A 61 8.118 5.745 -7.899 1.00 0.00 O ATOM 905 CB LYS A 61 7.994 5.855 -4.613 1.00 0.00 C ATOM 906 CG LYS A 61 8.223 5.283 -3.213 1.00 0.00 C ATOM 907 CD LYS A 61 8.847 6.330 -2.288 1.00 0.00 C ATOM 908 CE LYS A 61 10.116 5.790 -1.626 1.00 0.00 C ATOM 909 NZ LYS A 61 10.964 6.904 -1.145 1.00 0.00 N ATOM 0 H LYS A 61 10.281 5.822 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 61 8.170 3.871 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.556 6.782 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.940 6.103 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.275 4.943 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.875 4.412 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.084 7.229 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.127 6.619 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.850 5.141 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.674 5.182 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.821 6.520 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.233 7.508 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.435 7.468 -0.450 1.00 0.00 H new ATOM 923 N HIS A 62 6.545 4.328 -7.105 1.00 0.00 N ATOM 924 CA HIS A 62 5.727 4.386 -8.305 1.00 0.00 C ATOM 925 C HIS A 62 4.260 4.155 -7.938 1.00 0.00 C ATOM 926 O HIS A 62 3.876 3.046 -7.570 1.00 0.00 O ATOM 927 CB HIS A 62 6.238 3.401 -9.358 1.00 0.00 C ATOM 928 CG HIS A 62 6.907 4.058 -10.542 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.047 4.834 -10.423 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.585 4.047 -11.867 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.386 5.265 -11.628 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.479 4.777 -12.522 1.00 0.00 N ATOM 0 H HIS A 62 6.179 3.726 -6.368 1.00 0.00 H new ATOM 0 HA HIS A 62 5.801 5.377 -8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.945 2.717 -8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.402 2.800 -9.714 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.542 5.039 -9.555 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.745 3.532 -12.309 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.233 5.893 -11.862 1.00 0.00 H new ATOM 940 N GLU A 63 3.480 5.220 -8.052 1.00 0.00 N ATOM 941 CA GLU A 63 2.063 5.147 -7.737 1.00 0.00 C ATOM 942 C GLU A 63 1.294 4.508 -8.896 1.00 0.00 C ATOM 943 O GLU A 63 1.279 5.041 -10.004 1.00 0.00 O ATOM 944 CB GLU A 63 1.504 6.531 -7.405 1.00 0.00 C ATOM 945 CG GLU A 63 0.220 6.420 -6.581 1.00 0.00 C ATOM 946 CD GLU A 63 -0.897 7.273 -7.187 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.716 8.510 -7.210 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.905 6.670 -7.613 1.00 0.00 O ATOM 0 H GLU A 63 3.802 6.138 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 63 1.938 4.520 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.247 7.104 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.303 7.077 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.098 5.378 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.412 6.740 -5.557 1.00 0.00 H new ATOM 955 N LEU A 64 0.675 3.375 -8.599 1.00 0.00 N ATOM 956 CA LEU A 64 -0.094 2.658 -9.602 1.00 0.00 C ATOM 957 C LEU A 64 -1.437 3.361 -9.808 1.00 0.00 C ATOM 958 O LEU A 64 -1.477 4.546 -10.135 1.00 0.00 O ATOM 959 CB LEU A 64 -0.225 1.181 -9.222 1.00 0.00 C ATOM 960 CG LEU A 64 1.075 0.375 -9.205 1.00 0.00 C ATOM 961 CD1 LEU A 64 1.957 0.730 -10.404 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.814 0.555 -7.877 1.00 0.00 C ATOM 0 H LEU A 64 0.690 2.936 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 64 0.424 2.672 -10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.680 1.120 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.914 0.706 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 64 0.823 -0.682 -9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.875 0.143 -10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.422 0.509 -11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.204 1.791 -10.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.735 -0.028 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.054 1.609 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.180 0.213 -7.059 1.00 0.00 H new ATOM 974 N GLN A 65 -2.504 2.601 -9.607 1.00 0.00 N ATOM 975 CA GLN A 65 -3.845 3.137 -9.767 1.00 0.00 C ATOM 976 C GLN A 65 -4.851 2.293 -8.982 1.00 0.00 C ATOM 977 O GLN A 65 -4.512 1.220 -8.485 1.00 0.00 O ATOM 978 CB GLN A 65 -4.231 3.216 -11.245 1.00 0.00 C ATOM 979 CG GLN A 65 -3.511 4.374 -11.939 1.00 0.00 C ATOM 980 CD GLN A 65 -4.389 4.993 -13.028 1.00 0.00 C ATOM 981 OE1 GLN A 65 -4.773 4.350 -13.992 1.00 0.00 O ATOM 982 NE2 GLN A 65 -4.686 6.272 -12.822 1.00 0.00 N ATOM 0 H GLN A 65 -2.467 1.619 -9.335 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.860 4.151 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.980 2.278 -11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.309 3.347 -11.336 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.246 5.135 -11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.579 4.017 -12.378 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.332 6.751 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.268 6.775 -13.492 1.00 0.00 H new ATOM 991 N PRO A 66 -6.100 2.824 -8.891 1.00 0.00 N ATOM 992 CA PRO A 66 -7.157 2.131 -8.175 1.00 0.00 C ATOM 993 C PRO A 66 -7.682 0.944 -8.985 1.00 0.00 C ATOM 994 O PRO A 66 -8.708 0.358 -8.641 1.00 0.00 O ATOM 995 CB PRO A 66 -8.217 3.189 -7.917 1.00 0.00 C ATOM 996 CG PRO A 66 -7.928 4.315 -8.897 1.00 0.00 C ATOM 997 CD PRO A 66 -6.537 4.092 -9.467 1.00 0.00 C ATOM 0 HA PRO A 66 -6.813 1.694 -7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.218 2.785 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.171 3.545 -6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.670 4.326 -9.695 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.985 5.281 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.558 4.046 -10.556 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.863 4.904 -9.195 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.955 0.625 -10.046 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.335 -0.481 -10.908 1.00 0.00 C ATOM 1007 C ASN A 67 -6.133 -1.407 -11.102 1.00 0.00 C ATOM 1008 O ASN A 67 -6.288 -2.626 -11.169 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.773 0.020 -12.286 1.00 0.00 C ATOM 1010 CG ASN A 67 -9.135 -0.560 -12.672 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -10.074 -0.578 -11.894 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -9.190 -1.030 -13.915 1.00 0.00 N ATOM 0 H ASN A 67 -6.105 1.113 -10.328 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.164 -1.007 -10.435 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.825 1.109 -12.281 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.030 -0.260 -13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.056 -1.436 -14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.366 -0.984 -14.515 1.00 0.00 H new ATOM 1019 N ASP A 68 -4.961 -0.794 -11.186 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.733 -1.548 -11.371 1.00 0.00 C ATOM 1021 C ASP A 68 -3.774 -2.802 -10.496 1.00 0.00 C ATOM 1022 O ASP A 68 -3.807 -2.707 -9.270 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.513 -0.723 -10.958 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.799 -0.005 -12.106 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -2.379 0.984 -12.604 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.691 -0.462 -12.459 1.00 0.00 O ATOM 0 H ASP A 68 -4.836 0.217 -11.129 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.652 -1.808 -12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.827 0.019 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.800 -1.381 -10.461 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.769 -3.949 -11.160 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.804 -5.220 -10.458 1.00 0.00 C ATOM 1033 C LEU A 69 -2.714 -5.236 -9.384 1.00 0.00 C ATOM 1034 O LEU A 69 -1.633 -4.685 -9.584 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.708 -6.382 -11.449 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.024 -6.826 -12.092 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.806 -8.028 -13.012 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.088 -7.103 -11.028 1.00 0.00 C ATOM 0 H LEU A 69 -3.741 -4.024 -12.177 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.758 -5.346 -9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.016 -6.100 -12.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.271 -7.238 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.394 -6.009 -12.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.757 -8.323 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.104 -7.759 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.401 -8.859 -12.435 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.013 -7.417 -11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.740 -7.893 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.270 -6.197 -10.451 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.036 -5.874 -8.269 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.098 -5.969 -7.163 1.00 0.00 C ATOM 1052 C VAL A 70 -1.673 -7.428 -6.984 1.00 0.00 C ATOM 1053 O VAL A 70 -1.722 -7.961 -5.877 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.716 -5.367 -5.900 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.800 -3.842 -6.004 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.091 -5.974 -5.618 1.00 0.00 C ATOM 0 H VAL A 70 -3.934 -6.331 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.198 -5.392 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.065 -5.610 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.243 -3.439 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.799 -3.430 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.418 -3.569 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.507 -5.528 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.755 -5.777 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.992 -7.050 -5.479 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.267 -8.033 -8.091 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.834 -9.419 -8.070 1.00 0.00 C ATOM 1068 C ILE A 71 -0.232 -9.782 -9.429 1.00 0.00 C ATOM 1069 O ILE A 71 0.817 -10.421 -9.497 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.984 -10.333 -7.643 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.480 -11.747 -7.344 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.101 -10.333 -8.688 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.475 -12.606 -8.609 1.00 0.00 C ATOM 0 H ILE A 71 -1.229 -7.588 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.051 -9.562 -7.326 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.407 -9.940 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.473 -11.698 -6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.114 -12.210 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.906 -10.991 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.486 -9.320 -8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.708 -10.688 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.113 -13.606 -8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.487 -12.673 -9.007 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.821 -12.153 -9.354 1.00 0.00 H new ATOM 1191 N ARG A 80 7.213 -5.131 -3.121 1.00 0.00 N ATOM 1192 CA ARG A 80 6.690 -4.534 -1.904 1.00 0.00 C ATOM 1193 C ARG A 80 5.814 -3.326 -2.239 1.00 0.00 C ATOM 1194 O ARG A 80 6.316 -2.294 -2.680 1.00 0.00 O ATOM 1195 CB ARG A 80 7.824 -4.092 -0.977 1.00 0.00 C ATOM 1196 CG ARG A 80 8.528 -5.300 -0.356 1.00 0.00 C ATOM 1197 CD ARG A 80 9.607 -5.847 -1.293 1.00 0.00 C ATOM 1198 NE ARG A 80 10.838 -5.035 -1.176 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.141 -4.010 -1.985 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.304 -3.667 -2.974 1.00 0.00 N ATOM 1201 NH2 ARG A 80 12.281 -3.329 -1.805 1.00 0.00 N ATOM 0 HA ARG A 80 6.092 -5.290 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.544 -3.495 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.426 -3.454 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.978 -5.014 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.798 -6.080 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.822 -6.886 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.248 -5.832 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 80 11.497 -5.270 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.437 -4.186 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.534 -2.887 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.918 -3.591 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.512 -2.549 -2.420 1.00 0.00 H new ATOM 1215 N ILE A 81 4.518 -3.495 -2.016 1.00 0.00 N ATOM 1216 CA ILE A 81 3.567 -2.431 -2.289 1.00 0.00 C ATOM 1217 C ILE A 81 3.440 -1.537 -1.054 1.00 0.00 C ATOM 1218 O ILE A 81 3.573 -2.009 0.075 1.00 0.00 O ATOM 1219 CB ILE A 81 2.235 -3.013 -2.767 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.451 -4.019 -3.899 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.263 -1.901 -3.165 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.265 -3.398 -5.036 1.00 0.00 C ATOM 0 H ILE A 81 4.105 -4.353 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 81 3.924 -1.801 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 81 1.781 -3.555 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.968 -4.899 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.487 -4.357 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.324 -2.341 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.075 -1.257 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.696 -1.311 -3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.404 -4.134 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.734 -2.533 -5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.238 -3.084 -4.658 1.00 0.00 H new ATOM 1234 N TYR A 82 3.184 -0.263 -1.309 1.00 0.00 N ATOM 1235 CA TYR A 82 3.037 0.702 -0.232 1.00 0.00 C ATOM 1236 C TYR A 82 1.805 1.582 -0.448 1.00 0.00 C ATOM 1237 O TYR A 82 1.117 1.456 -1.460 1.00 0.00 O ATOM 1238 CB TYR A 82 4.290 1.578 -0.277 1.00 0.00 C ATOM 1239 CG TYR A 82 5.572 0.855 0.142 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.328 0.189 -0.801 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.971 0.868 1.463 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.534 -0.492 -0.407 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.177 0.187 1.857 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.899 -0.460 0.902 1.00 0.00 C ATOM 1245 OH TYR A 82 9.038 -1.103 1.275 1.00 0.00 O ATOM 0 H TYR A 82 3.074 0.124 -2.246 1.00 0.00 H new ATOM 0 HA TYR A 82 2.917 0.194 0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.416 1.962 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.142 2.439 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.015 0.179 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.379 1.389 2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.135 -1.016 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.501 0.190 2.887 1.00 0.00 H new ATOM 0 HH TYR A 82 9.174 -0.994 2.239 1.00 0.00 H new ATOM 1255 N VAL A 83 1.563 2.454 0.520 1.00 0.00 N ATOM 1256 CA VAL A 83 0.426 3.356 0.448 1.00 0.00 C ATOM 1257 C VAL A 83 0.806 4.701 1.071 1.00 0.00 C ATOM 1258 O VAL A 83 1.316 4.749 2.189 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.794 2.713 1.112 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.431 2.135 2.481 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.946 3.713 1.226 1.00 0.00 C ATOM 0 H VAL A 83 2.135 2.555 1.358 1.00 0.00 H new ATOM 0 HA VAL A 83 0.153 3.545 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.126 1.890 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.315 1.684 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.343 1.376 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.061 2.932 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.800 3.231 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.630 4.565 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.230 4.056 0.231 1.00 0.00 H new ATOM 1271 N TYR A 84 0.544 5.760 0.320 1.00 0.00 N ATOM 1272 CA TYR A 84 0.853 7.102 0.784 1.00 0.00 C ATOM 1273 C TYR A 84 -0.407 7.970 0.828 1.00 0.00 C ATOM 1274 O TYR A 84 -1.456 7.574 0.322 1.00 0.00 O ATOM 1275 CB TYR A 84 1.826 7.689 -0.240 1.00 0.00 C ATOM 1276 CG TYR A 84 3.237 7.101 -0.165 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.427 5.742 -0.309 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.319 7.931 0.047 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.755 5.189 -0.239 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.647 7.378 0.117 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.799 6.034 -0.029 1.00 0.00 C ATOM 1282 OH TYR A 84 7.053 5.512 0.037 1.00 0.00 O ATOM 0 H TYR A 84 0.121 5.716 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 84 1.272 7.073 1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.427 7.524 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.885 8.768 -0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.580 5.093 -0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.170 8.995 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.918 4.127 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.503 8.016 0.282 1.00 0.00 H new ATOM 0 HH TYR A 84 7.103 4.709 -0.522 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.261 9.136 1.439 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.374 10.064 1.556 1.00 0.00 C ATOM 1294 C ARG A 85 -1.347 11.073 0.406 1.00 0.00 C ATOM 1295 O ARG A 85 -0.282 11.557 0.025 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.326 10.816 2.887 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.726 10.950 3.491 1.00 0.00 C ATOM 1298 CD ARG A 85 -2.957 12.364 4.029 1.00 0.00 C ATOM 1299 NE ARG A 85 -3.873 13.103 3.132 1.00 0.00 N ATOM 1300 CZ ARG A 85 -4.606 14.159 3.512 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -4.535 14.605 4.773 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -5.410 14.768 2.630 1.00 0.00 N ATOM 0 H ARG A 85 0.611 9.460 1.858 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.296 9.484 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.674 10.289 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.895 11.806 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.476 10.717 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.850 10.226 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.378 12.316 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.007 12.892 4.107 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.951 12.789 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.923 14.141 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.093 15.409 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.464 14.428 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.968 15.572 2.919 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.531 11.362 -0.114 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.656 12.305 -1.212 1.00 0.00 C ATOM 1318 C LYS A 86 -3.237 13.619 -0.686 1.00 0.00 C ATOM 1319 O LYS A 86 -4.265 13.621 -0.010 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.463 11.690 -2.357 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.658 10.605 -3.074 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.340 10.189 -4.379 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.783 10.979 -5.565 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.860 11.750 -6.226 1.00 0.00 N ATOM 0 H LYS A 86 -3.412 10.960 0.205 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.676 12.534 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.388 11.264 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.745 12.468 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.654 10.972 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.550 9.737 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.192 9.122 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.415 10.354 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.000 11.656 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.324 10.297 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.465 12.280 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.593 11.098 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.279 12.415 -5.545 1.00 0.00 H new ATOM 1424 N ASN A 93 3.770 11.323 0.511 1.00 0.00 N ATOM 1425 CA ASN A 93 4.568 11.357 1.725 1.00 0.00 C ATOM 1426 C ASN A 93 4.210 10.154 2.600 1.00 0.00 C ATOM 1427 O ASN A 93 3.037 9.810 2.738 1.00 0.00 O ATOM 1428 CB ASN A 93 4.291 12.627 2.532 1.00 0.00 C ATOM 1429 CG ASN A 93 4.139 13.839 1.611 1.00 0.00 C ATOM 1430 OD1 ASN A 93 3.112 14.497 1.572 1.00 0.00 O ATOM 1431 ND2 ASN A 93 5.215 14.097 0.874 1.00 0.00 N ATOM 0 HA ASN A 93 5.619 11.335 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.383 12.497 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.105 12.800 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.213 14.886 0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.042 13.506 0.955 1.00 0.00 H new ATOM 1438 N PRO A 94 5.269 9.531 3.182 1.00 0.00 N ATOM 1439 CA PRO A 94 5.078 8.373 4.039 1.00 0.00 C ATOM 1440 C PRO A 94 4.526 8.787 5.405 1.00 0.00 C ATOM 1441 O PRO A 94 5.058 9.694 6.045 1.00 0.00 O ATOM 1442 CB PRO A 94 6.446 7.717 4.126 1.00 0.00 C ATOM 1443 CG PRO A 94 7.446 8.780 3.700 1.00 0.00 C ATOM 1444 CD PRO A 94 6.672 9.910 3.041 1.00 0.00 C ATOM 0 HA PRO A 94 4.341 7.674 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.650 7.373 5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.503 6.844 3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.001 9.149 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.176 8.362 3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.875 10.865 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.949 10.021 1.993 1.00 0.00 H new ATOM 1452 N PHE A 95 3.466 8.104 5.812 1.00 0.00 N ATOM 1453 CA PHE A 95 2.837 8.389 7.090 1.00 0.00 C ATOM 1454 C PHE A 95 3.883 8.533 8.196 1.00 0.00 C ATOM 1455 O PHE A 95 3.993 9.589 8.818 1.00 0.00 O ATOM 1456 CB PHE A 95 1.927 7.203 7.415 1.00 0.00 C ATOM 1457 CG PHE A 95 0.859 6.928 6.354 1.00 0.00 C ATOM 1458 CD1 PHE A 95 -0.164 7.806 6.176 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.933 5.805 5.591 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -1.155 7.551 5.192 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.058 5.550 4.606 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.081 6.428 4.428 1.00 0.00 C ATOM 0 H PHE A 95 3.027 7.354 5.279 1.00 0.00 H new ATOM 0 HA PHE A 95 2.280 9.324 7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.541 6.311 7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.436 7.386 8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.223 8.697 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.745 5.107 5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.967 8.248 5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.001 4.659 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.835 6.234 3.680 1.00 0.00 H new