USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.28) USER MOD Single : A 22 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.6!) USER MOD Single : A 30 GLN : amide:sc= -3.6! K(o=-3.6!,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 130:sc= -1.42 USER MOD Single : A 51 GLN : amide:sc= -0.96 X(o=-0.96,f=-0.91) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -174:sc= -1.69 USER MOD Single : A 58 SER OG : rot -83:sc= 1.17 USER MOD Single : A 62 SER OG : rot 113:sc= 1.14 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.871 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 157:sc= -1.36 (180deg=-3.68!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.737 -12.887 -5.898 1.00 0.00 N ATOM 88 CA LEU A 10 2.816 -11.957 -6.213 1.00 0.00 C ATOM 89 C LEU A 10 4.148 -12.461 -5.667 1.00 0.00 C ATOM 90 O LEU A 10 4.225 -12.938 -4.535 1.00 0.00 O ATOM 91 CB LEU A 10 2.507 -10.574 -5.637 1.00 0.00 C ATOM 92 CG LEU A 10 1.481 -9.740 -6.405 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.166 -8.456 -5.654 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.987 -9.431 -7.806 1.00 0.00 C ATOM 0 HA LEU A 10 2.894 -11.884 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.151 -10.700 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.438 -10.009 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 10 0.562 -10.319 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.434 -7.876 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.760 -8.699 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.078 -7.871 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.244 -8.837 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.920 -8.872 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.160 -10.363 -8.344 1.00 0.00 H new ATOM 106 N SER A 11 5.194 -12.352 -6.480 1.00 0.00 N ATOM 107 CA SER A 11 6.523 -12.799 -6.080 1.00 0.00 C ATOM 108 C SER A 11 7.208 -11.751 -5.208 1.00 0.00 C ATOM 109 O SER A 11 8.348 -11.362 -5.465 1.00 0.00 O ATOM 110 CB SER A 11 7.379 -13.092 -7.313 1.00 0.00 C ATOM 111 OG SER A 11 7.012 -14.324 -7.908 1.00 0.00 O ATOM 0 H SER A 11 5.147 -11.958 -7.420 1.00 0.00 H new ATOM 0 HA SER A 11 6.412 -13.714 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.265 -12.286 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.431 -13.120 -7.030 1.00 0.00 H new ATOM 0 HG SER A 11 7.573 -14.487 -8.695 1.00 0.00 H new ATOM 117 N LEU A 12 6.506 -11.299 -4.175 1.00 0.00 N ATOM 118 CA LEU A 12 7.046 -10.296 -3.263 1.00 0.00 C ATOM 119 C LEU A 12 7.272 -10.888 -1.875 1.00 0.00 C ATOM 120 O LEU A 12 6.737 -11.945 -1.545 1.00 0.00 O ATOM 121 CB LEU A 12 6.097 -9.100 -3.171 1.00 0.00 C ATOM 122 CG LEU A 12 5.957 -8.256 -4.439 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.607 -7.555 -4.466 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.088 -7.243 -4.533 1.00 0.00 C ATOM 0 H LEU A 12 5.562 -11.611 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 12 8.006 -9.962 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.109 -9.466 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.438 -8.452 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 12 6.017 -8.918 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.525 -6.959 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.810 -8.299 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.517 -6.904 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.972 -6.652 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.060 -6.584 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.044 -7.766 -4.560 1.00 0.00 H new ATOM 136 N GLY A 13 8.069 -10.196 -1.066 1.00 0.00 N ATOM 137 CA GLY A 13 8.350 -10.668 0.278 1.00 0.00 C ATOM 138 C GLY A 13 7.402 -10.086 1.307 1.00 0.00 C ATOM 139 O GLY A 13 7.124 -8.886 1.297 1.00 0.00 O ATOM 0 H GLY A 13 8.524 -9.318 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.281 -11.756 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.374 -10.408 0.544 1.00 0.00 H new ATOM 143 N ASP A 14 6.903 -10.936 2.197 1.00 0.00 N ATOM 144 CA ASP A 14 5.980 -10.499 3.238 1.00 0.00 C ATOM 145 C ASP A 14 6.379 -9.130 3.779 1.00 0.00 C ATOM 146 O ASP A 14 5.526 -8.283 4.047 1.00 0.00 O ATOM 147 CB ASP A 14 5.941 -11.520 4.376 1.00 0.00 C ATOM 148 CG ASP A 14 5.682 -12.930 3.882 1.00 0.00 C ATOM 149 OD1 ASP A 14 4.612 -13.159 3.280 1.00 0.00 O ATOM 150 OD2 ASP A 14 6.548 -13.803 4.096 1.00 0.00 O ATOM 0 H ASP A 14 7.122 -11.932 2.219 1.00 0.00 H new ATOM 0 HA ASP A 14 4.986 -10.419 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.888 -11.495 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.163 -11.239 5.086 1.00 0.00 H new ATOM 155 N THR A 15 7.682 -8.920 3.939 1.00 0.00 N ATOM 156 CA THR A 15 8.195 -7.655 4.451 1.00 0.00 C ATOM 157 C THR A 15 7.960 -6.524 3.456 1.00 0.00 C ATOM 158 O THR A 15 7.539 -5.431 3.832 1.00 0.00 O ATOM 159 CB THR A 15 9.700 -7.744 4.764 1.00 0.00 C ATOM 160 OG1 THR A 15 9.959 -8.874 5.605 1.00 0.00 O ATOM 161 CG2 THR A 15 10.187 -6.475 5.446 1.00 0.00 C ATOM 0 H THR A 15 8.401 -9.610 3.721 1.00 0.00 H new ATOM 0 HA THR A 15 7.652 -7.444 5.372 1.00 0.00 H new ATOM 0 HB THR A 15 10.238 -7.861 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.918 -8.925 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.253 -6.562 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.015 -5.621 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.643 -6.332 6.379 1.00 0.00 H new ATOM 169 N ALA A 16 8.236 -6.794 2.184 1.00 0.00 N ATOM 170 CA ALA A 16 8.052 -5.800 1.134 1.00 0.00 C ATOM 171 C ALA A 16 6.664 -5.173 1.209 1.00 0.00 C ATOM 172 O ALA A 16 6.521 -3.950 1.179 1.00 0.00 O ATOM 173 CB ALA A 16 8.277 -6.428 -0.233 1.00 0.00 C ATOM 0 H ALA A 16 8.588 -7.693 1.856 1.00 0.00 H new ATOM 0 HA ALA A 16 8.787 -5.009 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.136 -5.674 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.292 -6.822 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.564 -7.239 -0.383 1.00 0.00 H new ATOM 179 N LEU A 17 5.643 -6.018 1.305 1.00 0.00 N ATOM 180 CA LEU A 17 4.265 -5.546 1.383 1.00 0.00 C ATOM 181 C LEU A 17 4.083 -4.586 2.554 1.00 0.00 C ATOM 182 O LEU A 17 3.741 -3.419 2.364 1.00 0.00 O ATOM 183 CB LEU A 17 3.307 -6.731 1.526 1.00 0.00 C ATOM 184 CG LEU A 17 3.358 -7.774 0.409 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.815 -9.107 0.899 1.00 0.00 C ATOM 186 CD2 LEU A 17 2.578 -7.292 -0.806 1.00 0.00 C ATOM 0 H LEU A 17 5.743 -7.033 1.331 1.00 0.00 H new ATOM 0 HA LEU A 17 4.037 -5.011 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.517 -7.230 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.290 -6.345 1.589 1.00 0.00 H new ATOM 0 HG LEU A 17 4.398 -7.915 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.859 -9.837 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.415 -9.458 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.781 -8.983 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.625 -8.047 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.538 -7.123 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.012 -6.361 -1.171 1.00 0.00 H new ATOM 198 N GLN A 18 4.317 -5.085 3.763 1.00 0.00 N ATOM 199 CA GLN A 18 4.180 -4.270 4.965 1.00 0.00 C ATOM 200 C GLN A 18 4.619 -2.834 4.701 1.00 0.00 C ATOM 201 O GLN A 18 3.914 -1.886 5.046 1.00 0.00 O ATOM 202 CB GLN A 18 5.005 -4.866 6.107 1.00 0.00 C ATOM 203 CG GLN A 18 4.343 -6.060 6.776 1.00 0.00 C ATOM 204 CD GLN A 18 5.028 -6.458 8.069 1.00 0.00 C ATOM 205 OE1 GLN A 18 5.045 -5.696 9.036 1.00 0.00 O ATOM 206 NE2 GLN A 18 5.598 -7.658 8.092 1.00 0.00 N ATOM 0 H GLN A 18 4.602 -6.049 3.937 1.00 0.00 H new ATOM 0 HA GLN A 18 3.128 -4.263 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.978 -5.169 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.185 -4.094 6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.299 -5.824 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.351 -6.907 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.560 -8.257 7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.074 -7.980 8.935 1.00 0.00 H new ATOM 215 N ASN A 19 5.788 -2.680 4.087 1.00 0.00 N ATOM 216 CA ASN A 19 6.321 -1.358 3.778 1.00 0.00 C ATOM 217 C ASN A 19 5.421 -0.627 2.787 1.00 0.00 C ATOM 218 O ASN A 19 4.813 0.391 3.118 1.00 0.00 O ATOM 219 CB ASN A 19 7.736 -1.477 3.208 1.00 0.00 C ATOM 220 CG ASN A 19 8.798 -1.472 4.291 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.794 -0.616 5.176 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.715 -2.430 4.225 1.00 0.00 N ATOM 0 H ASN A 19 6.384 -3.454 3.794 1.00 0.00 H new ATOM 0 HA ASN A 19 6.356 -0.782 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.815 -2.397 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.918 -0.651 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.455 -2.477 4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.680 -3.119 3.474 1.00 0.00 H new ATOM 229 N LEU A 20 5.341 -1.153 1.570 1.00 0.00 N ATOM 230 CA LEU A 20 4.515 -0.551 0.529 1.00 0.00 C ATOM 231 C LEU A 20 3.169 -0.105 1.092 1.00 0.00 C ATOM 232 O LEU A 20 2.665 0.963 0.748 1.00 0.00 O ATOM 233 CB LEU A 20 4.298 -1.543 -0.615 1.00 0.00 C ATOM 234 CG LEU A 20 4.062 -0.933 -1.997 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.820 -0.055 -1.988 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.279 -0.134 -2.442 1.00 0.00 C ATOM 0 H LEU A 20 5.838 -1.995 1.280 1.00 0.00 H new ATOM 0 HA LEU A 20 5.037 0.326 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.168 -2.197 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.443 -2.172 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 20 3.904 -1.743 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.668 0.371 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.952 -0.655 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.948 0.750 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.093 0.293 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.468 0.668 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.148 -0.790 -2.489 1.00 0.00 H new ATOM 248 N GLU A 21 2.594 -0.930 1.962 1.00 0.00 N ATOM 249 CA GLU A 21 1.308 -0.619 2.573 1.00 0.00 C ATOM 250 C GLU A 21 1.346 0.744 3.258 1.00 0.00 C ATOM 251 O GLU A 21 0.453 1.569 3.069 1.00 0.00 O ATOM 252 CB GLU A 21 0.925 -1.700 3.587 1.00 0.00 C ATOM 253 CG GLU A 21 0.632 -3.050 2.955 1.00 0.00 C ATOM 254 CD GLU A 21 0.029 -4.036 3.937 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.747 -3.601 4.813 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.334 -5.242 3.828 1.00 0.00 O ATOM 0 H GLU A 21 2.999 -1.818 2.259 1.00 0.00 H new ATOM 0 HA GLU A 21 0.558 -0.589 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.735 -1.814 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.047 -1.370 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.051 -2.914 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.555 -3.465 2.550 1.00 0.00 H new ATOM 263 N GLN A 22 2.387 0.972 4.053 1.00 0.00 N ATOM 264 CA GLN A 22 2.542 2.234 4.766 1.00 0.00 C ATOM 265 C GLN A 22 3.019 3.336 3.826 1.00 0.00 C ATOM 266 O GLN A 22 2.638 4.498 3.970 1.00 0.00 O ATOM 267 CB GLN A 22 3.528 2.072 5.924 1.00 0.00 C ATOM 268 CG GLN A 22 3.286 0.825 6.759 1.00 0.00 C ATOM 269 CD GLN A 22 3.795 0.967 8.180 1.00 0.00 C ATOM 270 OE1 GLN A 22 3.825 2.066 8.735 1.00 0.00 O ATOM 271 NE2 GLN A 22 4.200 -0.148 8.778 1.00 0.00 N ATOM 0 H GLN A 22 3.135 0.299 4.219 1.00 0.00 H new ATOM 0 HA GLN A 22 1.568 2.519 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.542 2.041 5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.466 2.949 6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.218 0.608 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.775 -0.026 6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.158 -1.038 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.553 -0.114 9.734 1.00 0.00 H new ATOM 280 N LEU A 23 3.856 2.964 2.864 1.00 0.00 N ATOM 281 CA LEU A 23 4.387 3.921 1.899 1.00 0.00 C ATOM 282 C LEU A 23 3.259 4.663 1.191 1.00 0.00 C ATOM 283 O LEU A 23 3.436 5.793 0.732 1.00 0.00 O ATOM 284 CB LEU A 23 5.265 3.205 0.871 1.00 0.00 C ATOM 285 CG LEU A 23 6.737 3.032 1.250 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.424 2.069 0.295 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.447 4.378 1.255 1.00 0.00 C ATOM 0 H LEU A 23 4.182 2.007 2.731 1.00 0.00 H new ATOM 0 HA LEU A 23 4.992 4.648 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.840 2.219 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.215 3.757 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 23 6.787 2.613 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.470 1.958 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.931 1.098 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.364 2.459 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.493 4.237 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.387 4.825 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.970 5.038 1.979 1.00 0.00 H new ATOM 299 N LEU A 24 2.098 4.023 1.108 1.00 0.00 N ATOM 300 CA LEU A 24 0.938 4.624 0.458 1.00 0.00 C ATOM 301 C LEU A 24 0.109 5.426 1.456 1.00 0.00 C ATOM 302 O LEU A 24 -0.790 6.175 1.072 1.00 0.00 O ATOM 303 CB LEU A 24 0.072 3.541 -0.188 1.00 0.00 C ATOM 304 CG LEU A 24 0.430 3.164 -1.626 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.311 1.905 -2.048 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.115 4.314 -2.572 1.00 0.00 C ATOM 0 H LEU A 24 1.935 3.088 1.482 1.00 0.00 H new ATOM 0 HA LEU A 24 1.297 5.302 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.130 2.643 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.966 3.874 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 24 1.500 2.963 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.044 1.652 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.036 1.082 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.386 2.077 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.376 4.029 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.949 4.546 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.692 5.192 -2.282 1.00 0.00 H new ATOM 318 N ASP A 25 0.418 5.265 2.738 1.00 0.00 N ATOM 319 CA ASP A 25 -0.297 5.976 3.792 1.00 0.00 C ATOM 320 C ASP A 25 0.675 6.741 4.686 1.00 0.00 C ATOM 321 O ASP A 25 1.874 6.792 4.416 1.00 0.00 O ATOM 322 CB ASP A 25 -1.119 4.997 4.631 1.00 0.00 C ATOM 323 CG ASP A 25 -0.249 4.048 5.431 1.00 0.00 C ATOM 324 OD1 ASP A 25 0.849 4.465 5.857 1.00 0.00 O ATOM 325 OD2 ASP A 25 -0.666 2.889 5.633 1.00 0.00 O ATOM 0 H ASP A 25 1.159 4.649 3.073 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.971 6.692 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.762 5.556 5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.773 4.421 3.976 1.00 0.00 H new ATOM 330 N GLY A 26 0.147 7.335 5.752 1.00 0.00 N ATOM 331 CA GLY A 26 0.981 8.090 6.669 1.00 0.00 C ATOM 332 C GLY A 26 1.342 9.460 6.130 1.00 0.00 C ATOM 333 O GLY A 26 1.018 9.809 4.996 1.00 0.00 O ATOM 0 H GLY A 26 -0.843 7.307 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.460 8.203 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.894 7.530 6.870 1.00 0.00 H new ATOM 337 N PRO A 27 2.030 10.262 6.957 1.00 0.00 N ATOM 338 CA PRO A 27 2.449 11.615 6.579 1.00 0.00 C ATOM 339 C PRO A 27 3.544 11.607 5.517 1.00 0.00 C ATOM 340 O PRO A 27 3.491 12.369 4.553 1.00 0.00 O ATOM 341 CB PRO A 27 2.980 12.201 7.889 1.00 0.00 C ATOM 342 CG PRO A 27 3.399 11.018 8.691 1.00 0.00 C ATOM 343 CD PRO A 27 2.450 9.911 8.323 1.00 0.00 C ATOM 0 HA PRO A 27 1.631 12.187 6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.818 12.875 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.212 12.777 8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.429 10.740 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.352 11.234 9.758 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.937 8.937 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.601 9.866 9.005 1.00 0.00 H new ATOM 351 N GLU A 28 4.535 10.740 5.702 1.00 0.00 N ATOM 352 CA GLU A 28 5.642 10.634 4.759 1.00 0.00 C ATOM 353 C GLU A 28 5.133 10.323 3.355 1.00 0.00 C ATOM 354 O GLU A 28 5.623 10.873 2.369 1.00 0.00 O ATOM 355 CB GLU A 28 6.623 9.550 5.210 1.00 0.00 C ATOM 356 CG GLU A 28 8.023 9.723 4.645 1.00 0.00 C ATOM 357 CD GLU A 28 8.892 8.498 4.856 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.587 7.445 4.258 1.00 0.00 O ATOM 359 OE2 GLU A 28 9.877 8.593 5.618 1.00 0.00 O ATOM 0 H GLU A 28 4.594 10.102 6.495 1.00 0.00 H new ATOM 0 HA GLU A 28 6.158 11.594 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.677 9.551 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.237 8.575 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.957 9.938 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.496 10.585 5.115 1.00 0.00 H new ATOM 366 N ALA A 29 4.147 9.436 3.273 1.00 0.00 N ATOM 367 CA ALA A 29 3.570 9.052 1.990 1.00 0.00 C ATOM 368 C ALA A 29 3.539 10.233 1.026 1.00 0.00 C ATOM 369 O ALA A 29 2.790 11.189 1.227 1.00 0.00 O ATOM 370 CB ALA A 29 2.169 8.492 2.188 1.00 0.00 C ATOM 0 H ALA A 29 3.731 8.970 4.079 1.00 0.00 H new ATOM 0 HA ALA A 29 4.201 8.278 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.750 8.209 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.216 7.615 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.536 9.250 2.650 1.00 0.00 H new ATOM 376 N GLN A 30 4.357 10.161 -0.018 1.00 0.00 N ATOM 377 CA GLN A 30 4.423 11.226 -1.012 1.00 0.00 C ATOM 378 C GLN A 30 3.358 11.034 -2.087 1.00 0.00 C ATOM 379 O GLN A 30 3.389 11.687 -3.129 1.00 0.00 O ATOM 380 CB GLN A 30 5.811 11.268 -1.654 1.00 0.00 C ATOM 381 CG GLN A 30 6.190 9.981 -2.368 1.00 0.00 C ATOM 382 CD GLN A 30 7.650 9.949 -2.776 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.341 10.967 -2.733 1.00 0.00 O ATOM 384 NE2 GLN A 30 8.128 8.776 -3.174 1.00 0.00 N ATOM 0 H GLN A 30 4.984 9.377 -0.198 1.00 0.00 H new ATOM 0 HA GLN A 30 4.236 12.173 -0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.848 12.093 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.553 11.478 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.980 9.133 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.566 9.864 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.520 7.958 -3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.104 8.693 -3.460 1.00 0.00 H new ATOM 393 N GLY A 31 2.416 10.133 -1.826 1.00 0.00 N ATOM 394 CA GLY A 31 1.355 9.871 -2.781 1.00 0.00 C ATOM 395 C GLY A 31 0.060 9.458 -2.110 1.00 0.00 C ATOM 396 O GLY A 31 -0.369 10.079 -1.138 1.00 0.00 O ATOM 0 H GLY A 31 2.369 9.580 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.181 10.765 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.673 9.085 -3.466 1.00 0.00 H new ATOM 400 N SER A 32 -0.565 8.407 -2.631 1.00 0.00 N ATOM 401 CA SER A 32 -1.822 7.915 -2.079 1.00 0.00 C ATOM 402 C SER A 32 -2.211 6.584 -2.716 1.00 0.00 C ATOM 403 O SER A 32 -1.751 6.248 -3.807 1.00 0.00 O ATOM 404 CB SER A 32 -2.935 8.941 -2.297 1.00 0.00 C ATOM 405 OG SER A 32 -4.092 8.606 -1.549 1.00 0.00 O ATOM 0 H SER A 32 -0.222 7.880 -3.434 1.00 0.00 H new ATOM 0 HA SER A 32 -1.684 7.760 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.584 9.931 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.185 8.991 -3.357 1.00 0.00 H new ATOM 0 HG SER A 32 -4.788 9.278 -1.704 1.00 0.00 H new ATOM 411 N TRP A 33 -3.059 5.831 -2.025 1.00 0.00 N ATOM 412 CA TRP A 33 -3.510 4.536 -2.522 1.00 0.00 C ATOM 413 C TRP A 33 -4.796 4.680 -3.329 1.00 0.00 C ATOM 414 O TRP A 33 -4.947 4.072 -4.388 1.00 0.00 O ATOM 415 CB TRP A 33 -3.730 3.568 -1.358 1.00 0.00 C ATOM 416 CG TRP A 33 -4.833 3.990 -0.435 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.710 4.738 0.701 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.226 3.687 -0.569 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.942 4.917 1.282 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.889 4.284 0.521 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.978 2.972 -1.505 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.266 4.184 0.699 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.344 2.874 -1.327 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.977 3.478 -0.232 1.00 0.00 C ATOM 0 H TRP A 33 -3.448 6.094 -1.120 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.735 4.136 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.957 2.579 -1.755 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.804 3.478 -0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.781 5.131 1.086 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.122 5.437 2.141 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.499 2.504 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.756 4.648 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.935 2.323 -2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -10.047 3.384 -0.121 1.00 0.00 H new ATOM 435 N ALA A 34 -5.720 5.489 -2.822 1.00 0.00 N ATOM 436 CA ALA A 34 -6.992 5.715 -3.497 1.00 0.00 C ATOM 437 C ALA A 34 -6.786 5.956 -4.989 1.00 0.00 C ATOM 438 O ALA A 34 -7.355 5.254 -5.824 1.00 0.00 O ATOM 439 CB ALA A 34 -7.724 6.890 -2.866 1.00 0.00 C ATOM 0 H ALA A 34 -5.611 5.999 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.601 4.818 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.672 7.047 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.913 6.678 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.112 7.788 -2.951 1.00 0.00 H new ATOM 445 N GLU A 35 -5.971 6.953 -5.315 1.00 0.00 N ATOM 446 CA GLU A 35 -5.692 7.287 -6.707 1.00 0.00 C ATOM 447 C GLU A 35 -5.022 6.118 -7.423 1.00 0.00 C ATOM 448 O GLU A 35 -5.399 5.761 -8.540 1.00 0.00 O ATOM 449 CB GLU A 35 -4.801 8.528 -6.789 1.00 0.00 C ATOM 450 CG GLU A 35 -4.417 8.909 -8.209 1.00 0.00 C ATOM 451 CD GLU A 35 -5.610 8.960 -9.143 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.714 9.313 -8.677 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.440 8.646 -10.339 1.00 0.00 O ATOM 0 H GLU A 35 -5.492 7.544 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.641 7.497 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.318 9.367 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.894 8.352 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.926 9.882 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.692 8.190 -8.591 1.00 0.00 H new ATOM 460 N LEU A 36 -4.026 5.526 -6.773 1.00 0.00 N ATOM 461 CA LEU A 36 -3.302 4.397 -7.346 1.00 0.00 C ATOM 462 C LEU A 36 -4.267 3.321 -7.832 1.00 0.00 C ATOM 463 O LEU A 36 -4.186 2.869 -8.973 1.00 0.00 O ATOM 464 CB LEU A 36 -2.338 3.807 -6.315 1.00 0.00 C ATOM 465 CG LEU A 36 -1.796 2.412 -6.625 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.938 2.438 -7.880 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.000 1.875 -5.444 1.00 0.00 C ATOM 0 H LEU A 36 -3.701 5.809 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.732 4.760 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.493 4.487 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.845 3.772 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.641 1.747 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.561 1.436 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.538 2.779 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.099 3.118 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.622 0.881 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.163 2.542 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.645 1.817 -4.567 1.00 0.00 H new ATOM 479 N ALA A 37 -5.182 2.915 -6.956 1.00 0.00 N ATOM 480 CA ALA A 37 -6.165 1.895 -7.297 1.00 0.00 C ATOM 481 C ALA A 37 -6.811 2.184 -8.648 1.00 0.00 C ATOM 482 O ALA A 37 -6.988 1.283 -9.466 1.00 0.00 O ATOM 483 CB ALA A 37 -7.227 1.803 -6.211 1.00 0.00 C ATOM 0 H ALA A 37 -5.262 3.277 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.649 0.938 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.955 1.037 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.756 1.541 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.731 2.764 -6.113 1.00 0.00 H new ATOM 489 N GLU A 38 -7.162 3.447 -8.873 1.00 0.00 N ATOM 490 CA GLU A 38 -7.790 3.853 -10.125 1.00 0.00 C ATOM 491 C GLU A 38 -6.870 3.573 -11.310 1.00 0.00 C ATOM 492 O GLU A 38 -7.318 3.116 -12.362 1.00 0.00 O ATOM 493 CB GLU A 38 -8.147 5.340 -10.083 1.00 0.00 C ATOM 494 CG GLU A 38 -9.049 5.716 -8.919 1.00 0.00 C ATOM 495 CD GLU A 38 -9.640 7.105 -9.064 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.330 7.354 -10.074 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.411 7.944 -8.167 1.00 0.00 O ATOM 0 H GLU A 38 -7.022 4.205 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.703 3.271 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.229 5.924 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.639 5.614 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.856 4.988 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.480 5.662 -7.991 1.00 0.00 H new ATOM 504 N ARG A 39 -5.583 3.851 -11.132 1.00 0.00 N ATOM 505 CA ARG A 39 -4.601 3.631 -12.187 1.00 0.00 C ATOM 506 C ARG A 39 -4.533 2.155 -12.568 1.00 0.00 C ATOM 507 O ARG A 39 -4.437 1.810 -13.746 1.00 0.00 O ATOM 508 CB ARG A 39 -3.222 4.116 -11.737 1.00 0.00 C ATOM 509 CG ARG A 39 -3.141 5.621 -11.538 1.00 0.00 C ATOM 510 CD ARG A 39 -1.700 6.109 -11.552 1.00 0.00 C ATOM 511 NE ARG A 39 -1.611 7.542 -11.817 1.00 0.00 N ATOM 512 CZ ARG A 39 -1.960 8.100 -12.970 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.422 7.349 -13.961 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.850 9.412 -13.135 1.00 0.00 N ATOM 0 H ARG A 39 -5.196 4.229 -10.267 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.912 4.200 -13.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.959 3.620 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.481 3.815 -12.478 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.704 6.124 -12.324 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.608 5.889 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.233 5.888 -10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.140 5.564 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.261 8.148 -11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.510 6.340 -13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.689 7.780 -14.846 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.497 9.994 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.119 9.839 -14.022 1.00 0.00 H new ATOM 528 N LEU A 40 -4.583 1.287 -11.563 1.00 0.00 N ATOM 529 CA LEU A 40 -4.527 -0.153 -11.792 1.00 0.00 C ATOM 530 C LEU A 40 -5.840 -0.663 -12.376 1.00 0.00 C ATOM 531 O LEU A 40 -5.848 -1.533 -13.245 1.00 0.00 O ATOM 532 CB LEU A 40 -4.218 -0.885 -10.485 1.00 0.00 C ATOM 533 CG LEU A 40 -2.935 -0.465 -9.767 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.986 -0.869 -8.302 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.719 -1.075 -10.448 1.00 0.00 C ATOM 0 H LEU A 40 -4.662 1.555 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.731 -0.351 -12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.056 -0.739 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.160 -1.953 -10.695 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.850 0.620 -9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.064 -0.562 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.835 -0.384 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.095 -1.951 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.815 -0.765 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.797 -2.162 -10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.673 -0.735 -11.483 1.00 0.00 H new ATOM 547 N GLY A 41 -6.950 -0.112 -11.893 1.00 0.00 N ATOM 548 CA GLY A 41 -8.254 -0.522 -12.381 1.00 0.00 C ATOM 549 C GLY A 41 -9.188 -0.935 -11.261 1.00 0.00 C ATOM 550 O GLY A 41 -10.257 -1.494 -11.508 1.00 0.00 O ATOM 0 H GLY A 41 -6.969 0.610 -11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.703 0.298 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.134 -1.354 -13.075 1.00 0.00 H new ATOM 554 N LEU A 42 -8.785 -0.660 -10.025 1.00 0.00 N ATOM 555 CA LEU A 42 -9.593 -1.008 -8.861 1.00 0.00 C ATOM 556 C LEU A 42 -10.247 0.233 -8.262 1.00 0.00 C ATOM 557 O LEU A 42 -10.239 0.424 -7.045 1.00 0.00 O ATOM 558 CB LEU A 42 -8.732 -1.705 -7.807 1.00 0.00 C ATOM 559 CG LEU A 42 -7.627 -2.618 -8.340 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.612 -2.921 -7.248 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.220 -3.906 -8.891 1.00 0.00 C ATOM 0 H LEU A 42 -7.904 -0.197 -9.803 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.379 -1.689 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.273 -0.942 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.386 -2.296 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.114 -2.101 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.833 -3.572 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.164 -1.990 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.110 -3.418 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.420 -4.544 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.758 -4.427 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.908 -3.672 -9.703 1.00 0.00 H new ATOM 573 N ARG A 43 -10.814 1.072 -9.123 1.00 0.00 N ATOM 574 CA ARG A 43 -11.473 2.294 -8.678 1.00 0.00 C ATOM 575 C ARG A 43 -12.842 1.986 -8.078 1.00 0.00 C ATOM 576 O ARG A 43 -13.431 2.819 -7.390 1.00 0.00 O ATOM 577 CB ARG A 43 -11.624 3.271 -9.845 1.00 0.00 C ATOM 578 CG ARG A 43 -12.757 2.916 -10.794 1.00 0.00 C ATOM 579 CD ARG A 43 -12.921 3.964 -11.883 1.00 0.00 C ATOM 580 NE ARG A 43 -13.805 3.509 -12.952 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.407 4.329 -13.807 1.00 0.00 C ATOM 582 NH1 ARG A 43 -14.220 5.638 -13.718 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.197 3.838 -14.754 1.00 0.00 N ATOM 0 H ARG A 43 -10.830 0.928 -10.133 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.852 2.752 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.793 4.273 -9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.689 3.303 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.561 1.945 -11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.687 2.824 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.321 4.880 -11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.944 4.209 -12.300 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.970 2.507 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.613 6.018 -12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.683 6.265 -14.376 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.342 2.831 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.659 4.468 -15.410 1.00 0.00 H new ATOM 597 N SER A 44 -13.342 0.783 -8.344 1.00 0.00 N ATOM 598 CA SER A 44 -14.643 0.367 -7.834 1.00 0.00 C ATOM 599 C SER A 44 -14.498 -0.343 -6.491 1.00 0.00 C ATOM 600 O SER A 44 -15.397 -0.293 -5.650 1.00 0.00 O ATOM 601 CB SER A 44 -15.336 -0.556 -8.839 1.00 0.00 C ATOM 602 OG SER A 44 -16.481 -1.164 -8.267 1.00 0.00 O ATOM 0 H SER A 44 -12.866 0.080 -8.909 1.00 0.00 H new ATOM 0 HA SER A 44 -15.252 1.259 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.626 0.014 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.639 -1.326 -9.171 1.00 0.00 H new ATOM 0 HG SER A 44 -16.907 -1.747 -8.929 1.00 0.00 H new ATOM 608 N LEU A 45 -13.362 -1.002 -6.297 1.00 0.00 N ATOM 609 CA LEU A 45 -13.098 -1.723 -5.057 1.00 0.00 C ATOM 610 C LEU A 45 -12.548 -0.783 -3.988 1.00 0.00 C ATOM 611 O LEU A 45 -12.365 -1.176 -2.835 1.00 0.00 O ATOM 612 CB LEU A 45 -12.109 -2.863 -5.307 1.00 0.00 C ATOM 613 CG LEU A 45 -12.541 -3.913 -6.331 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.326 -4.555 -6.982 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.418 -4.970 -5.675 1.00 0.00 C ATOM 0 H LEU A 45 -12.608 -1.052 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.040 -2.139 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.163 -2.432 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.918 -3.366 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.124 -3.417 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.653 -5.300 -7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.737 -3.790 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.716 -5.037 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.716 -5.709 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.860 -5.462 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.307 -4.497 -5.257 1.00 0.00 H new ATOM 627 N VAL A 46 -12.287 0.460 -4.378 1.00 0.00 N ATOM 628 CA VAL A 46 -11.761 1.457 -3.453 1.00 0.00 C ATOM 629 C VAL A 46 -12.506 1.420 -2.123 1.00 0.00 C ATOM 630 O VAL A 46 -11.992 1.872 -1.100 1.00 0.00 O ATOM 631 CB VAL A 46 -11.858 2.877 -4.043 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.281 3.898 -3.075 1.00 0.00 C ATOM 633 CG2 VAL A 46 -11.150 2.944 -5.388 1.00 0.00 C ATOM 0 H VAL A 46 -12.431 0.801 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.712 1.211 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.910 3.116 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.358 4.895 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.837 3.866 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.233 3.666 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.228 3.954 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.099 2.685 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.615 2.241 -6.079 1.00 0.00 H new ATOM 643 N ASP A 47 -13.718 0.877 -2.145 1.00 0.00 N ATOM 644 CA ASP A 47 -14.534 0.779 -0.940 1.00 0.00 C ATOM 645 C ASP A 47 -14.125 -0.431 -0.105 1.00 0.00 C ATOM 646 O ASP A 47 -13.970 -0.334 1.113 1.00 0.00 O ATOM 647 CB ASP A 47 -16.015 0.682 -1.308 1.00 0.00 C ATOM 648 CG ASP A 47 -16.341 -0.587 -2.070 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.588 -0.927 -3.006 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.351 -1.240 -1.732 1.00 0.00 O ATOM 0 H ASP A 47 -14.157 0.498 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.373 1.679 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.615 0.721 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.294 1.546 -1.911 1.00 0.00 H new ATOM 655 N THR A 48 -13.952 -1.570 -0.767 1.00 0.00 N ATOM 656 CA THR A 48 -13.564 -2.799 -0.086 1.00 0.00 C ATOM 657 C THR A 48 -12.245 -2.622 0.658 1.00 0.00 C ATOM 658 O THR A 48 -11.910 -3.410 1.542 1.00 0.00 O ATOM 659 CB THR A 48 -13.429 -3.971 -1.076 1.00 0.00 C ATOM 660 OG1 THR A 48 -13.671 -5.212 -0.403 1.00 0.00 O ATOM 661 CG2 THR A 48 -12.043 -3.992 -1.705 1.00 0.00 C ATOM 0 H THR A 48 -14.075 -1.667 -1.775 1.00 0.00 H new ATOM 0 HA THR A 48 -14.354 -3.027 0.630 1.00 0.00 H new ATOM 0 HB THR A 48 -14.168 -3.836 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.585 -5.952 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.972 -4.828 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.873 -3.059 -2.241 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.291 -4.104 -0.924 1.00 0.00 H new ATOM 669 N TYR A 49 -11.502 -1.583 0.295 1.00 0.00 N ATOM 670 CA TYR A 49 -10.218 -1.304 0.927 1.00 0.00 C ATOM 671 C TYR A 49 -10.387 -0.345 2.102 1.00 0.00 C ATOM 672 O TYR A 49 -9.821 -0.554 3.175 1.00 0.00 O ATOM 673 CB TYR A 49 -9.242 -0.713 -0.091 1.00 0.00 C ATOM 674 CG TYR A 49 -9.045 -1.580 -1.315 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.083 -2.966 -1.221 1.00 0.00 C ATOM 676 CD2 TYR A 49 -8.820 -1.014 -2.563 1.00 0.00 C ATOM 677 CE1 TYR A 49 -8.903 -3.762 -2.336 1.00 0.00 C ATOM 678 CE2 TYR A 49 -8.640 -1.802 -3.683 1.00 0.00 C ATOM 679 CZ TYR A 49 -8.683 -3.175 -3.565 1.00 0.00 C ATOM 680 OH TYR A 49 -8.503 -3.964 -4.678 1.00 0.00 O ATOM 0 H TYR A 49 -11.767 -0.920 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.815 -2.244 1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.605 0.266 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.277 -0.556 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.256 -3.429 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.785 0.061 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.934 -4.838 -2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.466 -1.345 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.094 -3.656 -5.397 1.00 0.00 H new ATOM 690 N ARG A 50 -11.170 0.708 1.890 1.00 0.00 N ATOM 691 CA ARG A 50 -11.414 1.700 2.930 1.00 0.00 C ATOM 692 C ARG A 50 -12.229 1.101 4.073 1.00 0.00 C ATOM 693 O ARG A 50 -12.212 1.611 5.193 1.00 0.00 O ATOM 694 CB ARG A 50 -12.145 2.911 2.348 1.00 0.00 C ATOM 695 CG ARG A 50 -13.660 2.792 2.402 1.00 0.00 C ATOM 696 CD ARG A 50 -14.337 4.029 1.833 1.00 0.00 C ATOM 697 NE ARG A 50 -15.689 3.744 1.359 1.00 0.00 N ATOM 698 CZ ARG A 50 -16.560 4.685 1.015 1.00 0.00 C ATOM 699 NH1 ARG A 50 -16.223 5.965 1.090 1.00 0.00 N ATOM 700 NH2 ARG A 50 -17.772 4.346 0.593 1.00 0.00 N ATOM 0 H ARG A 50 -11.646 0.896 1.008 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.450 2.021 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.840 3.805 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.836 3.047 1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.977 1.912 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.978 2.644 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.377 4.805 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.740 4.423 1.011 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.980 2.769 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.292 6.229 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.895 6.686 0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.034 3.362 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.441 5.069 0.329 1.00 0.00 H new ATOM 714 N GLN A 51 -12.940 0.018 3.780 1.00 0.00 N ATOM 715 CA GLN A 51 -13.762 -0.649 4.783 1.00 0.00 C ATOM 716 C GLN A 51 -12.916 -1.098 5.970 1.00 0.00 C ATOM 717 O GLN A 51 -13.260 -0.842 7.125 1.00 0.00 O ATOM 718 CB GLN A 51 -14.478 -1.853 4.169 1.00 0.00 C ATOM 719 CG GLN A 51 -15.577 -2.424 5.051 1.00 0.00 C ATOM 720 CD GLN A 51 -15.040 -3.339 6.134 1.00 0.00 C ATOM 721 OE1 GLN A 51 -15.212 -3.078 7.325 1.00 0.00 O ATOM 722 NE2 GLN A 51 -14.385 -4.419 5.725 1.00 0.00 N ATOM 0 H GLN A 51 -12.964 -0.416 2.857 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.505 0.065 5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.908 -1.560 3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.746 -2.634 3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.129 -1.605 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.284 -2.976 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.266 -4.596 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.001 -5.072 6.408 1.00 0.00 H new ATOM 731 N THR A 52 -11.806 -1.769 5.679 1.00 0.00 N ATOM 732 CA THR A 52 -10.911 -2.255 6.722 1.00 0.00 C ATOM 733 C THR A 52 -9.856 -1.211 7.071 1.00 0.00 C ATOM 734 O THR A 52 -9.721 -0.196 6.387 1.00 0.00 O ATOM 735 CB THR A 52 -10.207 -3.557 6.297 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.238 -3.935 7.281 1.00 0.00 O ATOM 737 CG2 THR A 52 -9.527 -3.389 4.946 1.00 0.00 C ATOM 0 H THR A 52 -11.505 -1.988 4.729 1.00 0.00 H new ATOM 0 HA THR A 52 -11.527 -2.454 7.599 1.00 0.00 H new ATOM 0 HB THR A 52 -10.961 -4.340 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.796 -4.765 7.003 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.037 -4.322 4.667 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.272 -3.131 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.785 -2.593 5.009 1.00 0.00 H new ATOM 745 N THR A 53 -9.108 -1.467 8.140 1.00 0.00 N ATOM 746 CA THR A 53 -8.064 -0.549 8.580 1.00 0.00 C ATOM 747 C THR A 53 -6.806 -0.701 7.733 1.00 0.00 C ATOM 748 O THR A 53 -5.889 0.116 7.815 1.00 0.00 O ATOM 749 CB THR A 53 -7.704 -0.777 10.060 1.00 0.00 C ATOM 750 OG1 THR A 53 -7.182 -2.098 10.240 1.00 0.00 O ATOM 751 CG2 THR A 53 -8.923 -0.582 10.950 1.00 0.00 C ATOM 0 H THR A 53 -9.206 -2.302 8.717 1.00 0.00 H new ATOM 0 HA THR A 53 -8.459 0.460 8.461 1.00 0.00 H new ATOM 0 HB THR A 53 -6.946 -0.046 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.954 -2.234 11.183 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.644 -0.748 11.991 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.300 0.434 10.833 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.699 -1.292 10.665 1.00 0.00 H new ATOM 759 N SER A 54 -6.769 -1.752 6.920 1.00 0.00 N ATOM 760 CA SER A 54 -5.620 -2.012 6.059 1.00 0.00 C ATOM 761 C SER A 54 -5.985 -1.813 4.591 1.00 0.00 C ATOM 762 O SER A 54 -6.062 -2.761 3.810 1.00 0.00 O ATOM 763 CB SER A 54 -5.103 -3.435 6.280 1.00 0.00 C ATOM 764 OG SER A 54 -4.494 -3.565 7.553 1.00 0.00 O ATOM 0 H SER A 54 -7.520 -2.437 6.839 1.00 0.00 H new ATOM 0 HA SER A 54 -4.834 -1.303 6.319 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.928 -4.142 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.383 -3.689 5.502 1.00 0.00 H new ATOM 0 HG SER A 54 -4.174 -4.484 7.670 1.00 0.00 H new ATOM 770 N PRO A 55 -6.215 -0.549 4.206 1.00 0.00 N ATOM 771 CA PRO A 55 -6.575 -0.194 2.830 1.00 0.00 C ATOM 772 C PRO A 55 -5.413 -0.382 1.860 1.00 0.00 C ATOM 773 O PRO A 55 -5.618 -0.594 0.665 1.00 0.00 O ATOM 774 CB PRO A 55 -6.952 1.286 2.932 1.00 0.00 C ATOM 775 CG PRO A 55 -6.207 1.785 4.122 1.00 0.00 C ATOM 776 CD PRO A 55 -6.141 0.631 5.084 1.00 0.00 C ATOM 0 HA PRO A 55 -7.374 -0.826 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.669 1.830 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.027 1.413 3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.207 2.119 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.715 2.638 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.218 0.643 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.965 0.654 5.797 1.00 0.00 H new ATOM 784 N SER A 56 -4.194 -0.304 2.382 1.00 0.00 N ATOM 785 CA SER A 56 -2.999 -0.462 1.561 1.00 0.00 C ATOM 786 C SER A 56 -2.580 -1.927 1.488 1.00 0.00 C ATOM 787 O SER A 56 -1.951 -2.357 0.522 1.00 0.00 O ATOM 788 CB SER A 56 -1.852 0.380 2.124 1.00 0.00 C ATOM 789 OG SER A 56 -1.002 0.841 1.089 1.00 0.00 O ATOM 0 H SER A 56 -4.007 -0.132 3.370 1.00 0.00 H new ATOM 0 HA SER A 56 -3.233 -0.118 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.256 1.231 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.276 -0.213 2.835 1.00 0.00 H new ATOM 0 HG SER A 56 -0.227 1.295 1.480 1.00 0.00 H new ATOM 795 N GLY A 57 -2.935 -2.690 2.518 1.00 0.00 N ATOM 796 CA GLY A 57 -2.588 -4.099 2.552 1.00 0.00 C ATOM 797 C GLY A 57 -3.485 -4.938 1.665 1.00 0.00 C ATOM 798 O GLY A 57 -3.006 -5.782 0.907 1.00 0.00 O ATOM 0 H GLY A 57 -3.457 -2.357 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.552 -4.223 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.654 -4.462 3.578 1.00 0.00 H new ATOM 802 N SER A 58 -4.791 -4.708 1.760 1.00 0.00 N ATOM 803 CA SER A 58 -5.758 -5.454 0.963 1.00 0.00 C ATOM 804 C SER A 58 -5.756 -4.972 -0.485 1.00 0.00 C ATOM 805 O SER A 58 -6.285 -5.640 -1.374 1.00 0.00 O ATOM 806 CB SER A 58 -7.160 -5.310 1.558 1.00 0.00 C ATOM 807 OG SER A 58 -7.379 -3.994 2.035 1.00 0.00 O ATOM 0 H SER A 58 -5.203 -4.011 2.381 1.00 0.00 H new ATOM 0 HA SER A 58 -5.470 -6.505 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.906 -5.555 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.287 -6.022 2.374 1.00 0.00 H new ATOM 0 HG SER A 58 -7.008 -3.907 2.938 1.00 0.00 H new ATOM 813 N LEU A 59 -5.157 -3.809 -0.713 1.00 0.00 N ATOM 814 CA LEU A 59 -5.085 -3.236 -2.053 1.00 0.00 C ATOM 815 C LEU A 59 -4.084 -3.996 -2.917 1.00 0.00 C ATOM 816 O LEU A 59 -4.269 -4.130 -4.128 1.00 0.00 O ATOM 817 CB LEU A 59 -4.693 -1.759 -1.977 1.00 0.00 C ATOM 818 CG LEU A 59 -4.333 -1.091 -3.304 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.397 -1.379 -4.352 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.159 0.409 -3.117 1.00 0.00 C ATOM 0 H LEU A 59 -4.714 -3.244 0.012 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.070 -3.321 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.519 -1.207 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.842 -1.664 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.387 -1.505 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.124 -0.896 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.473 -2.455 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.358 -0.993 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.903 0.867 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.089 0.840 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.360 0.596 -2.399 1.00 0.00 H new ATOM 832 N LEU A 60 -3.025 -4.493 -2.288 1.00 0.00 N ATOM 833 CA LEU A 60 -1.995 -5.242 -2.999 1.00 0.00 C ATOM 834 C LEU A 60 -2.495 -6.633 -3.374 1.00 0.00 C ATOM 835 O LEU A 60 -2.598 -6.969 -4.554 1.00 0.00 O ATOM 836 CB LEU A 60 -0.734 -5.355 -2.140 1.00 0.00 C ATOM 837 CG LEU A 60 -0.038 -4.039 -1.793 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.827 -4.203 -0.553 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.798 -3.552 -2.968 1.00 0.00 C ATOM 0 H LEU A 60 -2.857 -4.391 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.756 -4.703 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.996 -5.860 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.020 -5.994 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.802 -3.291 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.314 -3.256 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.203 -4.505 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.584 -4.966 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.286 -2.614 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.554 -4.299 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.153 -3.394 -3.833 1.00 0.00 H new ATOM 851 N ARG A 61 -2.806 -7.438 -2.363 1.00 0.00 N ATOM 852 CA ARG A 61 -3.296 -8.792 -2.587 1.00 0.00 C ATOM 853 C ARG A 61 -4.476 -8.790 -3.555 1.00 0.00 C ATOM 854 O ARG A 61 -4.719 -9.773 -4.255 1.00 0.00 O ATOM 855 CB ARG A 61 -3.712 -9.433 -1.262 1.00 0.00 C ATOM 856 CG ARG A 61 -5.036 -8.915 -0.724 1.00 0.00 C ATOM 857 CD ARG A 61 -5.693 -9.925 0.204 1.00 0.00 C ATOM 858 NE ARG A 61 -6.292 -11.035 -0.532 1.00 0.00 N ATOM 859 CZ ARG A 61 -6.562 -12.217 0.011 1.00 0.00 C ATOM 860 NH1 ARG A 61 -6.288 -12.441 1.289 1.00 0.00 N ATOM 861 NH2 ARG A 61 -7.107 -13.178 -0.724 1.00 0.00 N ATOM 0 H ARG A 61 -2.727 -7.175 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.487 -9.375 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.781 -10.512 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.933 -9.253 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.872 -7.980 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.706 -8.693 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.951 -10.312 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.460 -9.427 0.797 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.515 -10.895 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.869 -11.705 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.496 -13.349 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.319 -13.010 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.314 -14.085 -0.306 1.00 0.00 H new ATOM 875 N SER A 62 -5.205 -7.679 -3.589 1.00 0.00 N ATOM 876 CA SER A 62 -6.361 -7.551 -4.468 1.00 0.00 C ATOM 877 C SER A 62 -5.930 -7.174 -5.882 1.00 0.00 C ATOM 878 O SER A 62 -6.504 -7.644 -6.865 1.00 0.00 O ATOM 879 CB SER A 62 -7.330 -6.500 -3.921 1.00 0.00 C ATOM 880 OG SER A 62 -7.927 -6.936 -2.713 1.00 0.00 O ATOM 0 H SER A 62 -5.016 -6.855 -3.018 1.00 0.00 H new ATOM 0 HA SER A 62 -6.866 -8.516 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.798 -5.564 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.105 -6.296 -4.660 1.00 0.00 H new ATOM 0 HG SER A 62 -7.612 -6.377 -1.972 1.00 0.00 H new ATOM 886 N TYR A 63 -4.915 -6.323 -5.977 1.00 0.00 N ATOM 887 CA TYR A 63 -4.407 -5.880 -7.270 1.00 0.00 C ATOM 888 C TYR A 63 -4.033 -7.073 -8.146 1.00 0.00 C ATOM 889 O TYR A 63 -4.141 -7.014 -9.370 1.00 0.00 O ATOM 890 CB TYR A 63 -3.191 -4.972 -7.080 1.00 0.00 C ATOM 891 CG TYR A 63 -2.419 -4.718 -8.356 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.059 -4.246 -9.495 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.051 -4.951 -8.422 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.359 -4.014 -10.663 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.343 -4.720 -9.585 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.001 -4.252 -10.703 1.00 0.00 C ATOM 897 OH TYR A 63 -0.299 -4.021 -11.864 1.00 0.00 O ATOM 0 H TYR A 63 -4.427 -5.926 -5.174 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.197 -5.319 -7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.521 -4.018 -6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.524 -5.422 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.122 -4.057 -9.467 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.532 -5.319 -7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.872 -3.648 -11.540 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.721 -4.905 -9.619 1.00 0.00 H new ATOM 0 HH TYR A 63 0.646 -4.238 -11.723 1.00 0.00 H new ATOM 907 N GLU A 64 -3.595 -8.153 -7.508 1.00 0.00 N ATOM 908 CA GLU A 64 -3.205 -9.359 -8.228 1.00 0.00 C ATOM 909 C GLU A 64 -4.415 -10.250 -8.492 1.00 0.00 C ATOM 910 O GLU A 64 -4.508 -10.897 -9.536 1.00 0.00 O ATOM 911 CB GLU A 64 -2.150 -10.135 -7.436 1.00 0.00 C ATOM 912 CG GLU A 64 -2.660 -10.677 -6.111 1.00 0.00 C ATOM 913 CD GLU A 64 -1.690 -11.646 -5.465 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.725 -11.182 -4.823 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.897 -12.871 -5.601 1.00 0.00 O ATOM 0 H GLU A 64 -3.501 -8.218 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.781 -9.058 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.789 -10.965 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.297 -9.483 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.845 -9.846 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.615 -11.177 -6.271 1.00 0.00 H new ATOM 922 N LEU A 65 -5.340 -10.279 -7.539 1.00 0.00 N ATOM 923 CA LEU A 65 -6.545 -11.091 -7.667 1.00 0.00 C ATOM 924 C LEU A 65 -7.318 -10.723 -8.929 1.00 0.00 C ATOM 925 O LEU A 65 -7.922 -11.582 -9.572 1.00 0.00 O ATOM 926 CB LEU A 65 -7.438 -10.911 -6.438 1.00 0.00 C ATOM 927 CG LEU A 65 -7.017 -11.678 -5.184 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.879 -11.276 -3.997 1.00 0.00 C ATOM 929 CD2 LEU A 65 -7.101 -13.178 -5.423 1.00 0.00 C ATOM 0 H LEU A 65 -5.279 -9.750 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.243 -12.136 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.477 -9.849 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.451 -11.215 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.982 -11.424 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.564 -11.832 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.768 -10.208 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.924 -11.500 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.798 -13.708 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.126 -13.449 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.440 -13.453 -6.245 1.00 0.00 H new ATOM 941 N ALA A 66 -7.293 -9.441 -9.280 1.00 0.00 N ATOM 942 CA ALA A 66 -7.988 -8.961 -10.467 1.00 0.00 C ATOM 943 C ALA A 66 -7.266 -9.394 -11.739 1.00 0.00 C ATOM 944 O ALA A 66 -7.883 -9.554 -12.791 1.00 0.00 O ATOM 945 CB ALA A 66 -8.120 -7.445 -10.424 1.00 0.00 C ATOM 0 H ALA A 66 -6.799 -8.717 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.985 -9.402 -10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.641 -7.100 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.685 -7.154 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.128 -6.994 -10.386 1.00 0.00 H new ATOM 951 N GLY A 67 -5.954 -9.582 -11.634 1.00 0.00 N ATOM 952 CA GLY A 67 -5.170 -9.995 -12.783 1.00 0.00 C ATOM 953 C GLY A 67 -4.092 -8.991 -13.141 1.00 0.00 C ATOM 954 O GLY A 67 -3.750 -8.827 -14.312 1.00 0.00 O ATOM 0 H GLY A 67 -5.420 -9.456 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.708 -10.961 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.831 -10.135 -13.639 1.00 0.00 H new ATOM 958 N GLY A 68 -3.557 -8.314 -12.130 1.00 0.00 N ATOM 959 CA GLY A 68 -2.519 -7.327 -12.364 1.00 0.00 C ATOM 960 C GLY A 68 -1.130 -7.934 -12.359 1.00 0.00 C ATOM 961 O GLY A 68 -0.972 -9.142 -12.536 1.00 0.00 O ATOM 0 H GLY A 68 -3.824 -8.431 -11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.695 -6.839 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.577 -6.554 -11.597 1.00 0.00 H new ATOM 965 N ASP A 69 -0.120 -7.094 -12.157 1.00 0.00 N ATOM 966 CA ASP A 69 1.263 -7.555 -12.129 1.00 0.00 C ATOM 967 C ASP A 69 2.190 -6.462 -11.606 1.00 0.00 C ATOM 968 O ASP A 69 1.839 -5.281 -11.612 1.00 0.00 O ATOM 969 CB ASP A 69 1.706 -7.990 -13.527 1.00 0.00 C ATOM 970 CG ASP A 69 3.021 -8.744 -13.510 1.00 0.00 C ATOM 971 OD1 ASP A 69 3.031 -9.910 -13.064 1.00 0.00 O ATOM 972 OD2 ASP A 69 4.040 -8.167 -13.943 1.00 0.00 O ATOM 0 H ASP A 69 -0.233 -6.091 -12.010 1.00 0.00 H new ATOM 0 HA ASP A 69 1.322 -8.410 -11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.935 -8.621 -13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.803 -7.111 -14.164 1.00 0.00 H new ATOM 977 N LEU A 70 3.373 -6.862 -11.154 1.00 0.00 N ATOM 978 CA LEU A 70 4.350 -5.917 -10.626 1.00 0.00 C ATOM 979 C LEU A 70 4.513 -4.723 -11.561 1.00 0.00 C ATOM 980 O LEU A 70 4.386 -3.572 -11.142 1.00 0.00 O ATOM 981 CB LEU A 70 5.700 -6.608 -10.424 1.00 0.00 C ATOM 982 CG LEU A 70 6.674 -5.912 -9.472 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.179 -6.007 -8.038 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.065 -6.516 -9.599 1.00 0.00 C ATOM 0 H LEU A 70 3.679 -7.835 -11.143 1.00 0.00 H new ATOM 0 HA LEU A 70 3.986 -5.556 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.518 -7.616 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.183 -6.709 -11.396 1.00 0.00 H new ATOM 0 HG LEU A 70 6.730 -4.858 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.885 -5.506 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.203 -5.528 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.093 -7.055 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.746 -6.009 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.025 -7.577 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.422 -6.395 -10.622 1.00 0.00 H new ATOM 996 N ALA A 71 4.792 -5.004 -12.829 1.00 0.00 N ATOM 997 CA ALA A 71 4.967 -3.954 -13.824 1.00 0.00 C ATOM 998 C ALA A 71 3.885 -2.887 -13.692 1.00 0.00 C ATOM 999 O ALA A 71 4.179 -1.719 -13.442 1.00 0.00 O ATOM 1000 CB ALA A 71 4.958 -4.547 -15.225 1.00 0.00 C ATOM 0 H ALA A 71 4.902 -5.951 -13.192 1.00 0.00 H new ATOM 0 HA ALA A 71 5.932 -3.479 -13.649 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.090 -3.751 -15.958 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.771 -5.267 -15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.007 -5.049 -15.402 1.00 0.00 H new ATOM 1006 N GLY A 72 2.632 -3.297 -13.864 1.00 0.00 N ATOM 1007 CA GLY A 72 1.526 -2.363 -13.761 1.00 0.00 C ATOM 1008 C GLY A 72 1.619 -1.486 -12.529 1.00 0.00 C ATOM 1009 O GLY A 72 1.389 -0.278 -12.598 1.00 0.00 O ATOM 0 H GLY A 72 2.363 -4.259 -14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.503 -1.733 -14.650 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.588 -2.917 -13.738 1.00 0.00 H new ATOM 1013 N LEU A 73 1.956 -2.094 -11.396 1.00 0.00 N ATOM 1014 CA LEU A 73 2.078 -1.361 -10.141 1.00 0.00 C ATOM 1015 C LEU A 73 3.216 -0.347 -10.211 1.00 0.00 C ATOM 1016 O LEU A 73 3.090 0.778 -9.726 1.00 0.00 O ATOM 1017 CB LEU A 73 2.314 -2.331 -8.982 1.00 0.00 C ATOM 1018 CG LEU A 73 1.839 -1.861 -7.607 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.358 -1.519 -7.642 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.119 -2.924 -6.554 1.00 0.00 C ATOM 0 H LEU A 73 2.149 -3.093 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 73 1.146 -0.822 -9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.815 -3.272 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.382 -2.542 -8.923 1.00 0.00 H new ATOM 0 HG LEU A 73 2.392 -0.960 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.038 -1.186 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.185 -0.723 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.213 -2.402 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.774 -2.572 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.593 -3.842 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.190 -3.120 -6.510 1.00 0.00 H new ATOM 1032 N LEU A 74 4.325 -0.752 -10.820 1.00 0.00 N ATOM 1033 CA LEU A 74 5.485 0.122 -10.956 1.00 0.00 C ATOM 1034 C LEU A 74 5.209 1.243 -11.953 1.00 0.00 C ATOM 1035 O LEU A 74 5.707 2.358 -11.801 1.00 0.00 O ATOM 1036 CB LEU A 74 6.706 -0.684 -11.403 1.00 0.00 C ATOM 1037 CG LEU A 74 7.305 -1.629 -10.360 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.202 -2.660 -11.027 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.079 -0.844 -9.312 1.00 0.00 C ATOM 0 H LEU A 74 4.445 -1.679 -11.227 1.00 0.00 H new ATOM 0 HA LEU A 74 5.688 0.569 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.428 -1.271 -12.279 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.481 0.014 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 74 6.490 -2.155 -9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.619 -3.324 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.619 -3.244 -11.739 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.012 -2.153 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.498 -1.532 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.886 -0.291 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.408 -0.145 -8.812 1.00 0.00 H new ATOM 1051 N GLU A 75 4.410 0.938 -12.971 1.00 0.00 N ATOM 1052 CA GLU A 75 4.067 1.921 -13.992 1.00 0.00 C ATOM 1053 C GLU A 75 3.088 2.956 -13.444 1.00 0.00 C ATOM 1054 O GLU A 75 3.140 4.130 -13.810 1.00 0.00 O ATOM 1055 CB GLU A 75 3.462 1.229 -15.215 1.00 0.00 C ATOM 1056 CG GLU A 75 2.577 2.137 -16.053 1.00 0.00 C ATOM 1057 CD GLU A 75 3.362 3.220 -16.767 1.00 0.00 C ATOM 1058 OE1 GLU A 75 4.344 2.882 -17.460 1.00 0.00 O ATOM 1059 OE2 GLU A 75 2.994 4.405 -16.632 1.00 0.00 O ATOM 0 H GLU A 75 3.989 0.020 -13.110 1.00 0.00 H new ATOM 0 HA GLU A 75 4.982 2.433 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.268 0.844 -15.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.877 0.371 -14.884 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.041 1.537 -16.789 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.827 2.600 -15.412 1.00 0.00 H new ATOM 1066 N ALA A 76 2.197 2.511 -12.564 1.00 0.00 N ATOM 1067 CA ALA A 76 1.208 3.398 -11.964 1.00 0.00 C ATOM 1068 C ALA A 76 1.850 4.317 -10.931 1.00 0.00 C ATOM 1069 O ALA A 76 1.718 5.539 -11.005 1.00 0.00 O ATOM 1070 CB ALA A 76 0.089 2.586 -11.329 1.00 0.00 C ATOM 0 H ALA A 76 2.140 1.542 -12.251 1.00 0.00 H new ATOM 0 HA ALA A 76 0.787 4.021 -12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.643 3.260 -10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.396 1.976 -12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.503 1.939 -10.556 1.00 0.00 H new ATOM 1076 N LEU A 77 2.544 3.722 -9.967 1.00 0.00 N ATOM 1077 CA LEU A 77 3.207 4.488 -8.917 1.00 0.00 C ATOM 1078 C LEU A 77 4.031 5.626 -9.511 1.00 0.00 C ATOM 1079 O LEU A 77 4.053 6.735 -8.976 1.00 0.00 O ATOM 1080 CB LEU A 77 4.106 3.575 -8.082 1.00 0.00 C ATOM 1081 CG LEU A 77 3.390 2.522 -7.234 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.380 1.488 -6.720 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.653 3.180 -6.077 1.00 0.00 C ATOM 0 H LEU A 77 2.662 2.712 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 77 2.438 4.917 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.796 3.064 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.708 4.198 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 77 2.658 2.013 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.853 0.747 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.862 0.994 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.136 1.981 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.150 2.416 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.365 3.715 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.915 3.881 -6.467 1.00 0.00 H new ATOM 1095 N SER A 78 4.705 5.345 -10.621 1.00 0.00 N ATOM 1096 CA SER A 78 5.532 6.345 -11.287 1.00 0.00 C ATOM 1097 C SER A 78 4.722 7.599 -11.600 1.00 0.00 C ATOM 1098 O SER A 78 5.018 8.684 -11.098 1.00 0.00 O ATOM 1099 CB SER A 78 6.123 5.771 -12.576 1.00 0.00 C ATOM 1100 OG SER A 78 7.046 6.675 -13.160 1.00 0.00 O ATOM 0 H SER A 78 4.695 4.433 -11.078 1.00 0.00 H new ATOM 0 HA SER A 78 6.344 6.617 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.621 4.825 -12.362 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.322 5.557 -13.283 1.00 0.00 H new ATOM 0 HG SER A 78 7.411 6.285 -13.981 1.00 0.00 H new ATOM 1106 N ASP A 79 3.698 7.442 -12.431 1.00 0.00 N ATOM 1107 CA ASP A 79 2.843 8.561 -12.811 1.00 0.00 C ATOM 1108 C ASP A 79 2.448 9.383 -11.588 1.00 0.00 C ATOM 1109 O ASP A 79 2.373 10.609 -11.650 1.00 0.00 O ATOM 1110 CB ASP A 79 1.590 8.053 -13.526 1.00 0.00 C ATOM 1111 CG ASP A 79 1.008 9.082 -14.475 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.885 10.258 -14.072 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.675 8.713 -15.621 1.00 0.00 O ATOM 0 H ASP A 79 3.439 6.551 -12.855 1.00 0.00 H new ATOM 0 HA ASP A 79 3.405 9.201 -13.491 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.834 7.148 -14.082 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.838 7.780 -12.786 1.00 0.00 H new ATOM 1118 N MET A 80 2.196 8.697 -10.478 1.00 0.00 N ATOM 1119 CA MET A 80 1.809 9.364 -9.240 1.00 0.00 C ATOM 1120 C MET A 80 2.997 10.091 -8.619 1.00 0.00 C ATOM 1121 O MET A 80 2.848 11.171 -8.048 1.00 0.00 O ATOM 1122 CB MET A 80 1.240 8.350 -8.246 1.00 0.00 C ATOM 1123 CG MET A 80 0.020 7.608 -8.766 1.00 0.00 C ATOM 1124 SD MET A 80 -0.886 6.758 -7.459 1.00 0.00 S ATOM 1125 CE MET A 80 -1.030 8.065 -6.243 1.00 0.00 C ATOM 0 H MET A 80 2.253 7.681 -10.410 1.00 0.00 H new ATOM 0 HA MET A 80 1.040 10.099 -9.478 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.015 7.626 -7.994 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.975 8.867 -7.324 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.645 8.314 -9.264 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.334 6.882 -9.516 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.876 7.860 -5.587 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.115 8.114 -5.652 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.187 9.017 -6.749 1.00 0.00 H new ATOM 1135 N GLY A 81 4.178 9.491 -8.734 1.00 0.00 N ATOM 1136 CA GLY A 81 5.375 10.095 -8.178 1.00 0.00 C ATOM 1137 C GLY A 81 5.891 9.349 -6.964 1.00 0.00 C ATOM 1138 O GLY A 81 6.810 9.812 -6.286 1.00 0.00 O ATOM 0 H GLY A 81 4.327 8.597 -9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.153 10.122 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.163 11.128 -7.903 1.00 0.00 H new ATOM 1142 N LEU A 82 5.299 8.193 -6.686 1.00 0.00 N ATOM 1143 CA LEU A 82 5.704 7.381 -5.544 1.00 0.00 C ATOM 1144 C LEU A 82 6.963 6.581 -5.862 1.00 0.00 C ATOM 1145 O LEU A 82 6.950 5.351 -5.841 1.00 0.00 O ATOM 1146 CB LEU A 82 4.573 6.434 -5.140 1.00 0.00 C ATOM 1147 CG LEU A 82 3.292 7.096 -4.631 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.083 6.225 -4.936 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.391 7.370 -3.137 1.00 0.00 C ATOM 0 H LEU A 82 4.537 7.797 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 82 5.923 8.052 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.321 5.814 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.946 5.766 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 82 3.168 8.048 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.181 6.712 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.002 6.080 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.199 5.258 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.471 7.841 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.540 6.431 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.233 8.034 -2.944 1.00 0.00 H new ATOM 1161 N GLU A 83 8.049 7.290 -6.155 1.00 0.00 N ATOM 1162 CA GLU A 83 9.317 6.645 -6.476 1.00 0.00 C ATOM 1163 C GLU A 83 9.815 5.808 -5.301 1.00 0.00 C ATOM 1164 O GLU A 83 10.628 4.900 -5.473 1.00 0.00 O ATOM 1165 CB GLU A 83 10.367 7.693 -6.851 1.00 0.00 C ATOM 1166 CG GLU A 83 10.484 8.825 -5.844 1.00 0.00 C ATOM 1167 CD GLU A 83 11.805 9.563 -5.947 1.00 0.00 C ATOM 1168 OE1 GLU A 83 11.995 10.307 -6.931 1.00 0.00 O ATOM 1169 OE2 GLU A 83 12.649 9.395 -5.041 1.00 0.00 O ATOM 0 H GLU A 83 8.076 8.309 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 83 9.154 5.984 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.336 7.205 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.119 8.110 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.666 9.529 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.374 8.423 -4.837 1.00 0.00 H new ATOM 1176 N GLU A 84 9.321 6.121 -4.107 1.00 0.00 N ATOM 1177 CA GLU A 84 9.716 5.399 -2.904 1.00 0.00 C ATOM 1178 C GLU A 84 9.327 3.926 -3.000 1.00 0.00 C ATOM 1179 O GLU A 84 10.148 3.040 -2.767 1.00 0.00 O ATOM 1180 CB GLU A 84 9.070 6.029 -1.669 1.00 0.00 C ATOM 1181 CG GLU A 84 9.870 5.826 -0.393 1.00 0.00 C ATOM 1182 CD GLU A 84 11.085 6.730 -0.316 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.919 6.683 -1.244 1.00 0.00 O ATOM 1184 OE2 GLU A 84 11.200 7.485 0.672 1.00 0.00 O ATOM 0 H GLU A 84 8.647 6.870 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 84 10.800 5.465 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.942 7.098 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.074 5.606 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.228 6.013 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.191 4.786 -0.331 1.00 0.00 H new ATOM 1191 N GLY A 85 8.068 3.674 -3.346 1.00 0.00 N ATOM 1192 CA GLY A 85 7.591 2.309 -3.467 1.00 0.00 C ATOM 1193 C GLY A 85 8.259 1.560 -4.603 1.00 0.00 C ATOM 1194 O GLY A 85 8.569 0.375 -4.478 1.00 0.00 O ATOM 0 H GLY A 85 7.370 4.391 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.772 1.780 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.513 2.317 -3.626 1.00 0.00 H new ATOM 1198 N VAL A 86 8.479 2.251 -5.717 1.00 0.00 N ATOM 1199 CA VAL A 86 9.113 1.644 -6.881 1.00 0.00 C ATOM 1200 C VAL A 86 10.496 1.106 -6.535 1.00 0.00 C ATOM 1201 O VAL A 86 10.860 -0.001 -6.931 1.00 0.00 O ATOM 1202 CB VAL A 86 9.240 2.651 -8.040 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.173 2.113 -9.114 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.871 2.969 -8.622 1.00 0.00 C ATOM 0 H VAL A 86 8.227 3.232 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 86 8.474 0.819 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 86 9.667 3.575 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.251 2.837 -9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.160 1.941 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.778 1.175 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.980 3.682 -9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.414 2.054 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.237 3.400 -7.847 1.00 0.00 H new ATOM 1214 N ARG A 87 11.264 1.897 -5.793 1.00 0.00 N ATOM 1215 CA ARG A 87 12.609 1.501 -5.393 1.00 0.00 C ATOM 1216 C ARG A 87 12.567 0.283 -4.476 1.00 0.00 C ATOM 1217 O ARG A 87 13.465 -0.560 -4.504 1.00 0.00 O ATOM 1218 CB ARG A 87 13.317 2.660 -4.688 1.00 0.00 C ATOM 1219 CG ARG A 87 13.856 3.714 -5.641 1.00 0.00 C ATOM 1220 CD ARG A 87 14.354 4.940 -4.891 1.00 0.00 C ATOM 1221 NE ARG A 87 15.692 4.739 -4.342 1.00 0.00 N ATOM 1222 CZ ARG A 87 16.785 4.634 -5.090 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.698 4.710 -6.410 1.00 0.00 N ATOM 1224 NH2 ARG A 87 17.968 4.452 -4.516 1.00 0.00 N ATOM 0 H ARG A 87 10.978 2.816 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 87 13.166 1.238 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.621 3.132 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.141 2.264 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.670 3.291 -6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.074 4.007 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.363 5.798 -5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.662 5.176 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 87 15.793 4.676 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.790 4.849 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.539 4.629 -6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.038 4.393 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.807 4.371 -5.091 1.00 0.00 H new ATOM 1238 N LEU A 88 11.519 0.196 -3.664 1.00 0.00 N ATOM 1239 CA LEU A 88 11.360 -0.919 -2.737 1.00 0.00 C ATOM 1240 C LEU A 88 11.061 -2.213 -3.488 1.00 0.00 C ATOM 1241 O LEU A 88 11.795 -3.195 -3.371 1.00 0.00 O ATOM 1242 CB LEU A 88 10.237 -0.623 -1.741 1.00 0.00 C ATOM 1243 CG LEU A 88 10.288 -1.398 -0.423 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.243 -0.870 0.547 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.084 -2.886 -0.671 1.00 0.00 C ATOM 0 H LEU A 88 10.767 0.884 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 88 12.296 -1.044 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.252 0.443 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.284 -0.832 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 88 11.273 -1.256 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.294 -1.433 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.434 0.184 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.251 -0.982 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.123 -3.422 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.113 -3.047 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.870 -3.256 -1.330 1.00 0.00 H new ATOM 1257 N LEU A 89 9.980 -2.206 -4.261 1.00 0.00 N ATOM 1258 CA LEU A 89 9.585 -3.378 -5.034 1.00 0.00 C ATOM 1259 C LEU A 89 10.782 -3.978 -5.763 1.00 0.00 C ATOM 1260 O LEU A 89 10.972 -5.195 -5.770 1.00 0.00 O ATOM 1261 CB LEU A 89 8.494 -3.006 -6.039 1.00 0.00 C ATOM 1262 CG LEU A 89 7.253 -2.324 -5.462 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.488 -1.595 -6.555 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.359 -3.343 -4.770 1.00 0.00 C ATOM 0 H LEU A 89 9.362 -1.402 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 89 9.194 -4.124 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.930 -2.347 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.179 -3.913 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 89 7.575 -1.591 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.608 -1.116 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.130 -0.838 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.177 -2.308 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.480 -2.841 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.045 -4.100 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.910 -3.820 -3.959 1.00 0.00 H new ATOM 1276 N ARG A 90 11.589 -3.117 -6.375 1.00 0.00 N ATOM 1277 CA ARG A 90 12.768 -3.562 -7.107 1.00 0.00 C ATOM 1278 C ARG A 90 13.731 -4.306 -6.186 1.00 0.00 C ATOM 1279 O ARG A 90 14.281 -5.343 -6.553 1.00 0.00 O ATOM 1280 CB ARG A 90 13.479 -2.368 -7.747 1.00 0.00 C ATOM 1281 CG ARG A 90 12.668 -1.692 -8.841 1.00 0.00 C ATOM 1282 CD ARG A 90 13.260 -0.343 -9.220 1.00 0.00 C ATOM 1283 NE ARG A 90 14.362 -0.476 -10.168 1.00 0.00 N ATOM 1284 CZ ARG A 90 15.023 0.559 -10.676 1.00 0.00 C ATOM 1285 NH1 ARG A 90 14.695 1.795 -10.328 1.00 0.00 N ATOM 1286 NH2 ARG A 90 16.015 0.357 -11.534 1.00 0.00 N ATOM 0 H ARG A 90 11.447 -2.107 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 90 12.441 -4.245 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.711 -1.636 -6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.429 -2.702 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.633 -2.335 -9.720 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.640 -1.558 -8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.482 0.285 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.614 0.163 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 90 14.640 -1.414 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.933 1.954 -9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.204 2.587 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.270 -0.593 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.522 1.152 -11.924 1.00 0.00 H new