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= -0.828 K(o=-0.83,f=-3.6!) USER MOD Single : A 19 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.16) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 30 GLN : amide:sc= -2.6 X(o=-2.6,f=-2.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -41:sc= 0.0258 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 32:sc= -0.735 USER MOD Single : A 51 GLN : amide:sc= -0.275 K(o=-0.28,f=-2) USER MOD Single : A 52 THR OG1 : rot -58:sc= 0.369 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 -138:sc= 0.124 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 110:sc= 1.15 USER MOD Single : A 63 TYR OH : rot -172:sc= 1.15 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 157:sc= -2.28 (180deg=-4.86!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 2.126 -13.140 -6.183 1.00 0.00 N ATOM 88 CA LEU A 10 3.057 -12.035 -6.386 1.00 0.00 C ATOM 89 C LEU A 10 4.443 -12.387 -5.856 1.00 0.00 C ATOM 90 O LEU A 10 4.576 -13.003 -4.799 1.00 0.00 O ATOM 91 CB LEU A 10 2.540 -10.772 -5.696 1.00 0.00 C ATOM 92 CG LEU A 10 1.485 -9.973 -6.462 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.994 -8.800 -5.628 1.00 0.00 C ATOM 94 CD2 LEU A 10 2.044 -9.488 -7.791 1.00 0.00 C ATOM 0 HA LEU A 10 3.134 -11.850 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.122 -11.055 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.389 -10.118 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 10 0.638 -10.628 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.244 -8.243 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.553 -9.171 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.832 -8.144 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.279 -8.921 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.909 -8.850 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.345 -10.345 -8.394 1.00 0.00 H new ATOM 106 N SER A 11 5.473 -11.988 -6.595 1.00 0.00 N ATOM 107 CA SER A 11 6.850 -12.263 -6.200 1.00 0.00 C ATOM 108 C SER A 11 7.343 -11.227 -5.195 1.00 0.00 C ATOM 109 O SER A 11 8.396 -10.615 -5.381 1.00 0.00 O ATOM 110 CB SER A 11 7.763 -12.273 -7.428 1.00 0.00 C ATOM 111 OG SER A 11 7.537 -13.426 -8.221 1.00 0.00 O ATOM 0 H SER A 11 5.380 -11.473 -7.471 1.00 0.00 H new ATOM 0 HA SER A 11 6.878 -13.245 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.587 -11.377 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.805 -12.244 -7.111 1.00 0.00 H new ATOM 0 HG SER A 11 8.131 -13.409 -9.000 1.00 0.00 H new ATOM 117 N LEU A 12 6.575 -11.034 -4.128 1.00 0.00 N ATOM 118 CA LEU A 12 6.932 -10.072 -3.091 1.00 0.00 C ATOM 119 C LEU A 12 7.230 -10.778 -1.773 1.00 0.00 C ATOM 120 O LEU A 12 7.128 -12.000 -1.674 1.00 0.00 O ATOM 121 CB LEU A 12 5.802 -9.059 -2.897 1.00 0.00 C ATOM 122 CG LEU A 12 5.516 -8.136 -4.081 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.235 -7.350 -3.849 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.687 -7.193 -4.317 1.00 0.00 C ATOM 0 H LEU A 12 5.701 -11.531 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 12 7.832 -9.546 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.889 -9.605 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.039 -8.442 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 12 5.384 -8.750 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.048 -6.699 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.400 -8.041 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.337 -6.746 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.466 -6.543 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.850 -6.586 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.585 -7.774 -4.530 1.00 0.00 H new ATOM 136 N GLY A 13 7.598 -9.999 -0.760 1.00 0.00 N ATOM 137 CA GLY A 13 7.904 -10.567 0.540 1.00 0.00 C ATOM 138 C GLY A 13 7.073 -9.954 1.650 1.00 0.00 C ATOM 139 O GLY A 13 6.747 -8.768 1.608 1.00 0.00 O ATOM 0 H GLY A 13 7.690 -8.985 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.731 -11.643 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.962 -10.419 0.758 1.00 0.00 H new ATOM 143 N ASP A 14 6.729 -10.764 2.645 1.00 0.00 N ATOM 144 CA ASP A 14 5.931 -10.295 3.772 1.00 0.00 C ATOM 145 C ASP A 14 6.323 -8.873 4.161 1.00 0.00 C ATOM 146 O ASP A 14 5.471 -7.991 4.275 1.00 0.00 O ATOM 147 CB ASP A 14 6.102 -11.230 4.970 1.00 0.00 C ATOM 148 CG ASP A 14 5.383 -12.551 4.781 1.00 0.00 C ATOM 149 OD1 ASP A 14 5.098 -12.910 3.619 1.00 0.00 O ATOM 150 OD2 ASP A 14 5.107 -13.227 5.794 1.00 0.00 O ATOM 0 H ASP A 14 6.990 -11.749 2.694 1.00 0.00 H new ATOM 0 HA ASP A 14 4.884 -10.294 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.163 -11.417 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.724 -10.739 5.867 1.00 0.00 H new ATOM 155 N THR A 15 7.619 -8.656 4.364 1.00 0.00 N ATOM 156 CA THR A 15 8.124 -7.342 4.742 1.00 0.00 C ATOM 157 C THR A 15 7.850 -6.313 3.651 1.00 0.00 C ATOM 158 O THR A 15 7.537 -5.158 3.938 1.00 0.00 O ATOM 159 CB THR A 15 9.637 -7.382 5.025 1.00 0.00 C ATOM 160 OG1 THR A 15 9.931 -8.416 5.971 1.00 0.00 O ATOM 161 CG2 THR A 15 10.123 -6.044 5.561 1.00 0.00 C ATOM 0 H THR A 15 8.338 -9.374 4.273 1.00 0.00 H new ATOM 0 HA THR A 15 7.599 -7.052 5.652 1.00 0.00 H new ATOM 0 HB THR A 15 10.154 -7.589 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.895 -8.436 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.195 -6.097 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.924 -5.264 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.599 -5.811 6.488 1.00 0.00 H new ATOM 169 N ALA A 16 7.969 -6.740 2.398 1.00 0.00 N ATOM 170 CA ALA A 16 7.732 -5.855 1.264 1.00 0.00 C ATOM 171 C ALA A 16 6.370 -5.178 1.372 1.00 0.00 C ATOM 172 O ALA A 16 6.270 -3.951 1.327 1.00 0.00 O ATOM 173 CB ALA A 16 7.836 -6.631 -0.041 1.00 0.00 C ATOM 0 H ALA A 16 8.228 -7.693 2.143 1.00 0.00 H new ATOM 0 HA ALA A 16 8.497 -5.078 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.657 -5.958 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.833 -7.063 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.093 -7.428 -0.050 1.00 0.00 H new ATOM 179 N LEU A 17 5.323 -5.984 1.514 1.00 0.00 N ATOM 180 CA LEU A 17 3.966 -5.462 1.627 1.00 0.00 C ATOM 181 C LEU A 17 3.845 -4.514 2.816 1.00 0.00 C ATOM 182 O LEU A 17 3.272 -3.431 2.701 1.00 0.00 O ATOM 183 CB LEU A 17 2.967 -6.612 1.774 1.00 0.00 C ATOM 184 CG LEU A 17 2.401 -7.179 0.472 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.316 -8.260 -0.083 1.00 0.00 C ATOM 186 CD2 LEU A 17 0.999 -7.727 0.694 1.00 0.00 C ATOM 0 H LEU A 17 5.388 -7.001 1.554 1.00 0.00 H new ATOM 0 HA LEU A 17 3.740 -4.906 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.453 -7.422 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.135 -6.268 2.389 1.00 0.00 H new ATOM 0 HG LEU A 17 2.343 -6.372 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.896 -8.651 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.301 -7.837 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.407 -9.068 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.612 -8.126 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.033 -8.521 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.347 -6.927 1.044 1.00 0.00 H new ATOM 198 N GLN A 18 4.389 -4.928 3.955 1.00 0.00 N ATOM 199 CA GLN A 18 4.343 -4.114 5.164 1.00 0.00 C ATOM 200 C GLN A 18 4.862 -2.706 4.892 1.00 0.00 C ATOM 201 O GLN A 18 4.320 -1.726 5.401 1.00 0.00 O ATOM 202 CB GLN A 18 5.166 -4.767 6.276 1.00 0.00 C ATOM 203 CG GLN A 18 4.502 -5.991 6.885 1.00 0.00 C ATOM 204 CD GLN A 18 3.331 -5.635 7.780 1.00 0.00 C ATOM 205 OE1 GLN A 18 2.407 -4.935 7.364 1.00 0.00 O ATOM 206 NE2 GLN A 18 3.363 -6.117 9.017 1.00 0.00 N ATOM 0 H GLN A 18 4.867 -5.822 4.066 1.00 0.00 H new ATOM 0 HA GLN A 18 3.304 -4.043 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.139 -5.053 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.347 -4.033 7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.157 -6.648 6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.239 -6.550 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.148 -6.693 9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.602 -5.911 9.664 1.00 0.00 H new ATOM 215 N ASN A 19 5.915 -2.614 4.086 1.00 0.00 N ATOM 216 CA ASN A 19 6.507 -1.325 3.747 1.00 0.00 C ATOM 217 C ASN A 19 5.646 -0.580 2.731 1.00 0.00 C ATOM 218 O ASN A 19 5.293 0.583 2.933 1.00 0.00 O ATOM 219 CB ASN A 19 7.919 -1.520 3.190 1.00 0.00 C ATOM 220 CG ASN A 19 8.955 -1.681 4.285 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.324 -0.716 4.954 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.431 -2.907 4.472 1.00 0.00 N ATOM 0 H ASN A 19 6.375 -3.416 3.656 1.00 0.00 H new ATOM 0 HA ASN A 19 6.561 -0.728 4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.935 -2.400 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.182 -0.665 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.131 -3.078 5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.096 -3.678 3.894 1.00 0.00 H new ATOM 229 N LEU A 20 5.309 -1.258 1.640 1.00 0.00 N ATOM 230 CA LEU A 20 4.488 -0.662 0.592 1.00 0.00 C ATOM 231 C LEU A 20 3.181 -0.124 1.164 1.00 0.00 C ATOM 232 O LEU A 20 2.680 0.912 0.727 1.00 0.00 O ATOM 233 CB LEU A 20 4.194 -1.691 -0.501 1.00 0.00 C ATOM 234 CG LEU A 20 4.003 -1.136 -1.913 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.763 -0.258 -1.978 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.234 -0.356 -2.350 1.00 0.00 C ATOM 0 H LEU A 20 5.592 -2.221 1.458 1.00 0.00 H new ATOM 0 HA LEU A 20 5.044 0.170 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.012 -2.411 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.294 -2.239 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 20 3.866 -1.974 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.643 0.128 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.886 -0.846 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.870 0.574 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.081 0.032 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.402 0.474 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.103 -1.014 -2.343 1.00 0.00 H new ATOM 248 N GLU A 21 2.634 -0.833 2.147 1.00 0.00 N ATOM 249 CA GLU A 21 1.386 -0.425 2.780 1.00 0.00 C ATOM 250 C GLU A 21 1.551 0.911 3.498 1.00 0.00 C ATOM 251 O GLU A 21 0.852 1.878 3.199 1.00 0.00 O ATOM 252 CB GLU A 21 0.917 -1.494 3.769 1.00 0.00 C ATOM 253 CG GLU A 21 0.541 -2.811 3.111 1.00 0.00 C ATOM 254 CD GLU A 21 0.734 -4.000 4.031 1.00 0.00 C ATOM 255 OE1 GLU A 21 1.080 -3.787 5.212 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.540 -5.144 3.570 1.00 0.00 O ATOM 0 H GLU A 21 3.036 -1.692 2.522 1.00 0.00 H new ATOM 0 HA GLU A 21 0.634 -0.307 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.708 -1.674 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.056 -1.114 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.500 -2.769 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.144 -2.949 2.214 1.00 0.00 H new ATOM 263 N GLN A 22 2.481 0.955 4.447 1.00 0.00 N ATOM 264 CA GLN A 22 2.737 2.171 5.209 1.00 0.00 C ATOM 265 C GLN A 22 3.146 3.315 4.287 1.00 0.00 C ATOM 266 O GLN A 22 2.655 4.437 4.416 1.00 0.00 O ATOM 267 CB GLN A 22 3.830 1.925 6.251 1.00 0.00 C ATOM 268 CG GLN A 22 5.234 2.200 5.738 1.00 0.00 C ATOM 269 CD GLN A 22 6.294 1.999 6.802 1.00 0.00 C ATOM 270 OE1 GLN A 22 6.259 1.024 7.553 1.00 0.00 O ATOM 271 NE2 GLN A 22 7.246 2.922 6.872 1.00 0.00 N ATOM 0 H GLN A 22 3.069 0.163 4.706 1.00 0.00 H new ATOM 0 HA GLN A 22 1.815 2.451 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.640 2.555 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.772 0.890 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.443 1.543 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.287 3.223 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.237 3.714 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.987 2.839 7.568 1.00 0.00 H new ATOM 280 N LEU A 23 4.049 3.024 3.357 1.00 0.00 N ATOM 281 CA LEU A 23 4.525 4.029 2.412 1.00 0.00 C ATOM 282 C LEU A 23 3.358 4.795 1.798 1.00 0.00 C ATOM 283 O LEU A 23 3.343 6.027 1.795 1.00 0.00 O ATOM 284 CB LEU A 23 5.353 3.368 1.308 1.00 0.00 C ATOM 285 CG LEU A 23 6.795 3.014 1.672 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.348 1.974 0.710 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.667 4.261 1.671 1.00 0.00 C ATOM 0 H LEU A 23 4.466 2.101 3.237 1.00 0.00 H new ATOM 0 HA LEU A 23 5.153 4.735 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.844 2.456 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.370 4.035 0.446 1.00 0.00 H new ATOM 0 HG LEU A 23 6.803 2.591 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.375 1.734 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.739 1.071 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.327 2.370 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.690 3.990 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.654 4.714 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.283 4.974 2.401 1.00 0.00 H new ATOM 299 N LEU A 24 2.380 4.059 1.281 1.00 0.00 N ATOM 300 CA LEU A 24 1.207 4.670 0.666 1.00 0.00 C ATOM 301 C LEU A 24 0.410 5.471 1.690 1.00 0.00 C ATOM 302 O LEU A 24 -0.212 6.480 1.357 1.00 0.00 O ATOM 303 CB LEU A 24 0.318 3.594 0.039 1.00 0.00 C ATOM 304 CG LEU A 24 0.742 3.093 -1.342 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.111 1.742 -1.637 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.367 4.105 -2.415 1.00 0.00 C ATOM 0 H LEU A 24 2.376 3.039 1.276 1.00 0.00 H new ATOM 0 HA LEU A 24 1.549 5.351 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.281 2.741 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.696 3.987 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 24 1.825 2.973 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.424 1.402 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.430 1.020 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.975 1.835 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.676 3.732 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.712 4.257 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.868 5.052 -2.213 1.00 0.00 H new ATOM 318 N ASP A 25 0.435 5.016 2.938 1.00 0.00 N ATOM 319 CA ASP A 25 -0.283 5.693 4.013 1.00 0.00 C ATOM 320 C ASP A 25 0.639 6.648 4.764 1.00 0.00 C ATOM 321 O ASP A 25 1.499 6.221 5.533 1.00 0.00 O ATOM 322 CB ASP A 25 -0.876 4.669 4.982 1.00 0.00 C ATOM 323 CG ASP A 25 -2.276 4.241 4.586 1.00 0.00 C ATOM 324 OD1 ASP A 25 -2.526 4.077 3.374 1.00 0.00 O ATOM 325 OD2 ASP A 25 -3.120 4.068 5.490 1.00 0.00 O ATOM 0 H ASP A 25 0.944 4.182 3.231 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.092 6.272 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.229 3.793 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.899 5.094 5.986 1.00 0.00 H new ATOM 330 N GLY A 26 0.452 7.945 4.536 1.00 0.00 N ATOM 331 CA GLY A 26 1.275 8.940 5.197 1.00 0.00 C ATOM 332 C GLY A 26 1.149 10.311 4.563 1.00 0.00 C ATOM 333 O GLY A 26 0.876 10.444 3.370 1.00 0.00 O ATOM 0 H GLY A 26 -0.255 8.324 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.992 9.002 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.318 8.623 5.166 1.00 0.00 H new ATOM 337 N PRO A 27 1.348 11.363 5.372 1.00 0.00 N ATOM 338 CA PRO A 27 1.259 12.749 4.904 1.00 0.00 C ATOM 339 C PRO A 27 2.408 13.122 3.974 1.00 0.00 C ATOM 340 O PRO A 27 2.267 13.996 3.119 1.00 0.00 O ATOM 341 CB PRO A 27 1.332 13.565 6.198 1.00 0.00 C ATOM 342 CG PRO A 27 2.061 12.689 7.157 1.00 0.00 C ATOM 343 CD PRO A 27 1.677 11.278 6.805 1.00 0.00 C ATOM 0 HA PRO A 27 0.354 12.926 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.858 14.507 6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.337 13.813 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.138 12.832 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.786 12.923 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.494 10.581 6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.826 10.934 7.393 1.00 0.00 H new ATOM 351 N GLU A 28 3.545 12.454 4.147 1.00 0.00 N ATOM 352 CA GLU A 28 4.718 12.717 3.322 1.00 0.00 C ATOM 353 C GLU A 28 4.622 11.981 1.989 1.00 0.00 C ATOM 354 O GLU A 28 5.230 12.386 0.999 1.00 0.00 O ATOM 355 CB GLU A 28 5.992 12.297 4.059 1.00 0.00 C ATOM 356 CG GLU A 28 7.211 13.122 3.684 1.00 0.00 C ATOM 357 CD GLU A 28 7.819 12.697 2.361 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.300 11.548 2.271 1.00 0.00 O ATOM 359 OE2 GLU A 28 7.813 13.513 1.416 1.00 0.00 O ATOM 0 H GLU A 28 3.678 11.728 4.851 1.00 0.00 H new ATOM 0 HA GLU A 28 4.758 13.788 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.824 12.379 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.195 11.247 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.930 14.174 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.961 13.033 4.470 1.00 0.00 H new ATOM 366 N ALA A 29 3.854 10.896 1.973 1.00 0.00 N ATOM 367 CA ALA A 29 3.677 10.103 0.763 1.00 0.00 C ATOM 368 C ALA A 29 3.340 10.991 -0.430 1.00 0.00 C ATOM 369 O ALA A 29 2.197 11.419 -0.594 1.00 0.00 O ATOM 370 CB ALA A 29 2.589 9.060 0.970 1.00 0.00 C ATOM 0 H ALA A 29 3.345 10.546 2.785 1.00 0.00 H new ATOM 0 HA ALA A 29 4.617 9.594 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.468 8.475 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.870 8.399 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.649 9.557 1.210 1.00 0.00 H new ATOM 376 N GLN A 30 4.341 11.264 -1.260 1.00 0.00 N ATOM 377 CA GLN A 30 4.150 12.103 -2.438 1.00 0.00 C ATOM 378 C GLN A 30 2.871 11.722 -3.176 1.00 0.00 C ATOM 379 O GLN A 30 2.302 12.528 -3.910 1.00 0.00 O ATOM 380 CB GLN A 30 5.351 11.981 -3.378 1.00 0.00 C ATOM 381 CG GLN A 30 5.650 10.551 -3.799 1.00 0.00 C ATOM 382 CD GLN A 30 7.102 10.349 -4.187 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.666 11.131 -4.953 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.715 9.296 -3.660 1.00 0.00 N ATOM 0 H GLN A 30 5.292 10.917 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 30 4.062 13.137 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.168 12.583 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.230 12.398 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.399 9.875 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.012 10.283 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.209 8.674 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.692 9.109 -3.885 1.00 0.00 H new ATOM 393 N GLY A 31 2.424 10.485 -2.975 1.00 0.00 N ATOM 394 CA GLY A 31 1.215 10.019 -3.629 1.00 0.00 C ATOM 395 C GLY A 31 0.220 9.424 -2.652 1.00 0.00 C ATOM 396 O GLY A 31 0.030 9.947 -1.554 1.00 0.00 O ATOM 0 H GLY A 31 2.877 9.799 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.748 10.850 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.476 9.271 -4.378 1.00 0.00 H new ATOM 400 N SER A 32 -0.418 8.329 -3.052 1.00 0.00 N ATOM 401 CA SER A 32 -1.403 7.666 -2.206 1.00 0.00 C ATOM 402 C SER A 32 -1.889 6.371 -2.850 1.00 0.00 C ATOM 403 O SER A 32 -1.598 6.097 -4.014 1.00 0.00 O ATOM 404 CB SER A 32 -2.590 8.595 -1.945 1.00 0.00 C ATOM 405 OG SER A 32 -3.295 8.207 -0.779 1.00 0.00 O ATOM 0 H SER A 32 -0.270 7.882 -3.957 1.00 0.00 H new ATOM 0 HA SER A 32 -0.925 7.423 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.236 9.620 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.263 8.580 -2.802 1.00 0.00 H new ATOM 0 HG SER A 32 -4.048 8.818 -0.633 1.00 0.00 H new ATOM 411 N TRP A 33 -2.629 5.578 -2.084 1.00 0.00 N ATOM 412 CA TRP A 33 -3.155 4.311 -2.578 1.00 0.00 C ATOM 413 C TRP A 33 -4.525 4.504 -3.219 1.00 0.00 C ATOM 414 O TRP A 33 -4.831 3.897 -4.245 1.00 0.00 O ATOM 415 CB TRP A 33 -3.250 3.295 -1.439 1.00 0.00 C ATOM 416 CG TRP A 33 -4.266 3.661 -0.400 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.026 4.243 0.812 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.682 3.467 -0.481 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.208 4.422 1.490 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.239 3.955 0.718 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.535 2.930 -1.449 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.607 3.921 0.971 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -7.893 2.896 -1.196 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.419 3.389 0.005 1.00 0.00 C ATOM 0 H TRP A 33 -2.878 5.790 -1.118 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.469 3.932 -3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.500 2.318 -1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.273 3.200 -0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.051 4.522 1.183 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.302 4.836 2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.140 2.548 -2.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.014 4.301 1.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.561 2.482 -1.937 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.485 3.349 0.172 1.00 0.00 H new ATOM 435 N ALA A 34 -5.346 5.352 -2.608 1.00 0.00 N ATOM 436 CA ALA A 34 -6.682 5.626 -3.121 1.00 0.00 C ATOM 437 C ALA A 34 -6.649 5.902 -4.621 1.00 0.00 C ATOM 438 O ALA A 34 -7.401 5.303 -5.388 1.00 0.00 O ATOM 439 CB ALA A 34 -7.302 6.802 -2.380 1.00 0.00 C ATOM 0 H ALA A 34 -5.109 5.861 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.296 4.741 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.300 6.995 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.370 6.567 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.680 7.687 -2.517 1.00 0.00 H new ATOM 445 N GLU A 35 -5.772 6.815 -5.030 1.00 0.00 N ATOM 446 CA GLU A 35 -5.643 7.171 -6.438 1.00 0.00 C ATOM 447 C GLU A 35 -4.992 6.039 -7.228 1.00 0.00 C ATOM 448 O GLU A 35 -5.430 5.703 -8.330 1.00 0.00 O ATOM 449 CB GLU A 35 -4.821 8.452 -6.590 1.00 0.00 C ATOM 450 CG GLU A 35 -4.458 8.775 -8.030 1.00 0.00 C ATOM 451 CD GLU A 35 -5.542 9.561 -8.742 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.670 9.039 -8.864 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.262 10.697 -9.178 1.00 0.00 O ATOM 0 H GLU A 35 -5.142 7.320 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.643 7.341 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.383 9.286 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.906 8.358 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.529 9.346 -8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.272 7.847 -8.571 1.00 0.00 H new ATOM 460 N LEU A 36 -3.945 5.454 -6.658 1.00 0.00 N ATOM 461 CA LEU A 36 -3.232 4.360 -7.308 1.00 0.00 C ATOM 462 C LEU A 36 -4.204 3.295 -7.804 1.00 0.00 C ATOM 463 O LEU A 36 -4.196 2.932 -8.980 1.00 0.00 O ATOM 464 CB LEU A 36 -2.224 3.736 -6.341 1.00 0.00 C ATOM 465 CG LEU A 36 -1.748 2.324 -6.685 1.00 0.00 C ATOM 466 CD1 LEU A 36 -1.000 2.321 -8.009 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.870 1.771 -5.573 1.00 0.00 C ATOM 0 H LEU A 36 -3.571 5.719 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.698 4.767 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.352 4.388 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.670 3.715 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.622 1.681 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.669 1.308 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.661 2.674 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.134 2.979 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.541 0.766 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.000 2.415 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.439 1.736 -4.644 1.00 0.00 H new ATOM 479 N ALA A 37 -5.043 2.799 -6.900 1.00 0.00 N ATOM 480 CA ALA A 37 -6.024 1.779 -7.246 1.00 0.00 C ATOM 481 C ALA A 37 -6.783 2.155 -8.515 1.00 0.00 C ATOM 482 O ALA A 37 -6.975 1.325 -9.403 1.00 0.00 O ATOM 483 CB ALA A 37 -6.994 1.566 -6.093 1.00 0.00 C ATOM 0 H ALA A 37 -5.062 3.088 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.491 0.847 -7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.721 0.801 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.443 1.244 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.513 2.500 -5.877 1.00 0.00 H new ATOM 489 N GLU A 38 -7.212 3.411 -8.591 1.00 0.00 N ATOM 490 CA GLU A 38 -7.951 3.896 -9.751 1.00 0.00 C ATOM 491 C GLU A 38 -7.151 3.683 -11.034 1.00 0.00 C ATOM 492 O GLU A 38 -7.695 3.261 -12.054 1.00 0.00 O ATOM 493 CB GLU A 38 -8.286 5.379 -9.587 1.00 0.00 C ATOM 494 CG GLU A 38 -9.188 5.671 -8.399 1.00 0.00 C ATOM 495 CD GLU A 38 -10.069 6.885 -8.620 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.820 6.900 -9.618 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.008 7.821 -7.795 1.00 0.00 O ATOM 0 H GLU A 38 -7.061 4.110 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.878 3.327 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.359 5.942 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.769 5.736 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.816 4.802 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.575 5.829 -7.512 1.00 0.00 H new ATOM 504 N ARG A 39 -5.857 3.979 -10.973 1.00 0.00 N ATOM 505 CA ARG A 39 -4.982 3.822 -12.129 1.00 0.00 C ATOM 506 C ARG A 39 -4.954 2.370 -12.596 1.00 0.00 C ATOM 507 O ARG A 39 -4.885 2.093 -13.794 1.00 0.00 O ATOM 508 CB ARG A 39 -3.565 4.287 -11.789 1.00 0.00 C ATOM 509 CG ARG A 39 -3.459 5.782 -11.536 1.00 0.00 C ATOM 510 CD ARG A 39 -2.063 6.302 -11.841 1.00 0.00 C ATOM 511 NE ARG A 39 -2.073 7.716 -12.204 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.556 8.177 -13.352 1.00 0.00 C ATOM 513 NH1 ARG A 39 -3.068 7.339 -14.244 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.530 9.478 -13.610 1.00 0.00 N ATOM 0 H ARG A 39 -5.391 4.329 -10.136 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.375 4.438 -12.938 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.218 3.752 -10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.897 4.017 -12.607 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.187 6.309 -12.153 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.708 5.995 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.424 6.156 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.630 5.722 -12.656 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.688 8.387 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.091 6.338 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.438 7.696 -15.125 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.139 10.126 -12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.901 9.830 -14.492 1.00 0.00 H new ATOM 528 N LEU A 40 -5.007 1.446 -11.643 1.00 0.00 N ATOM 529 CA LEU A 40 -4.987 0.021 -11.956 1.00 0.00 C ATOM 530 C LEU A 40 -6.340 -0.438 -12.490 1.00 0.00 C ATOM 531 O LEU A 40 -6.423 -1.392 -13.263 1.00 0.00 O ATOM 532 CB LEU A 40 -4.615 -0.789 -10.714 1.00 0.00 C ATOM 533 CG LEU A 40 -3.349 -0.347 -9.978 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.345 -0.881 -8.554 1.00 0.00 C ATOM 535 CD2 LEU A 40 -2.108 -0.809 -10.727 1.00 0.00 C ATOM 0 H LEU A 40 -5.064 1.658 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.236 -0.146 -12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.450 -0.749 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.495 -1.832 -11.007 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.338 0.742 -9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.437 -0.556 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.215 -0.500 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.380 -1.970 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.217 -0.486 -10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.112 -1.896 -10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.105 -0.376 -11.727 1.00 0.00 H new ATOM 547 N GLY A 41 -7.400 0.250 -12.074 1.00 0.00 N ATOM 548 CA GLY A 41 -8.735 -0.101 -12.521 1.00 0.00 C ATOM 549 C GLY A 41 -9.590 -0.668 -11.406 1.00 0.00 C ATOM 550 O GLY A 41 -10.736 -1.059 -11.630 1.00 0.00 O ATOM 0 H GLY A 41 -7.357 1.044 -11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.221 0.783 -12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.664 -0.831 -13.327 1.00 0.00 H new ATOM 554 N LEU A 42 -9.033 -0.713 -10.201 1.00 0.00 N ATOM 555 CA LEU A 42 -9.753 -1.238 -9.045 1.00 0.00 C ATOM 556 C LEU A 42 -10.420 -0.113 -8.261 1.00 0.00 C ATOM 557 O LEU A 42 -10.481 -0.150 -7.032 1.00 0.00 O ATOM 558 CB LEU A 42 -8.799 -2.013 -8.135 1.00 0.00 C ATOM 559 CG LEU A 42 -7.759 -2.885 -8.839 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.535 -3.074 -7.957 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.359 -4.232 -9.217 1.00 0.00 C ATOM 0 H LEU A 42 -8.086 -0.393 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.529 -1.912 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.275 -1.299 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.392 -2.649 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.448 -2.379 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.806 -3.697 -8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.091 -2.103 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.829 -3.558 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.604 -4.839 -9.717 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.699 -4.744 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.204 -4.078 -9.888 1.00 0.00 H new ATOM 573 N ARG A 43 -10.920 0.887 -8.981 1.00 0.00 N ATOM 574 CA ARG A 43 -11.583 2.023 -8.353 1.00 0.00 C ATOM 575 C ARG A 43 -12.895 1.594 -7.701 1.00 0.00 C ATOM 576 O ARG A 43 -13.261 2.089 -6.635 1.00 0.00 O ATOM 577 CB ARG A 43 -11.849 3.120 -9.385 1.00 0.00 C ATOM 578 CG ARG A 43 -12.753 2.678 -10.524 1.00 0.00 C ATOM 579 CD ARG A 43 -12.585 3.568 -11.746 1.00 0.00 C ATOM 580 NE ARG A 43 -13.236 3.006 -12.926 1.00 0.00 N ATOM 581 CZ ARG A 43 -13.343 3.650 -14.083 1.00 0.00 C ATOM 582 NH1 ARG A 43 -12.845 4.872 -14.214 1.00 0.00 N ATOM 583 NH2 ARG A 43 -13.950 3.072 -15.112 1.00 0.00 N ATOM 0 H ARG A 43 -10.878 0.933 -9.999 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.923 2.414 -7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.302 3.976 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.898 3.458 -9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.526 1.646 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.792 2.701 -10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.002 4.553 -11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.523 3.708 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.630 2.068 -12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.378 5.320 -13.425 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.929 5.364 -15.104 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.335 2.132 -15.015 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.032 3.567 -16.000 1.00 0.00 H new ATOM 597 N SER A 44 -13.598 0.672 -8.350 1.00 0.00 N ATOM 598 CA SER A 44 -14.871 0.180 -7.836 1.00 0.00 C ATOM 599 C SER A 44 -14.669 -0.601 -6.541 1.00 0.00 C ATOM 600 O SER A 44 -15.632 -1.001 -5.886 1.00 0.00 O ATOM 601 CB SER A 44 -15.557 -0.706 -8.877 1.00 0.00 C ATOM 602 OG SER A 44 -16.949 -0.803 -8.628 1.00 0.00 O ATOM 0 H SER A 44 -13.308 0.251 -9.232 1.00 0.00 H new ATOM 0 HA SER A 44 -15.506 1.040 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.390 -0.297 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.112 -1.701 -8.862 1.00 0.00 H new ATOM 0 HG SER A 44 -17.104 -0.890 -7.664 1.00 0.00 H new ATOM 608 N LEU A 45 -13.409 -0.815 -6.177 1.00 0.00 N ATOM 609 CA LEU A 45 -13.078 -1.548 -4.960 1.00 0.00 C ATOM 610 C LEU A 45 -12.504 -0.614 -3.901 1.00 0.00 C ATOM 611 O LEU A 45 -12.434 -0.962 -2.722 1.00 0.00 O ATOM 612 CB LEU A 45 -12.077 -2.663 -5.270 1.00 0.00 C ATOM 613 CG LEU A 45 -12.544 -3.728 -6.263 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.362 -4.538 -6.772 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.581 -4.638 -5.622 1.00 0.00 C ATOM 0 H LEU A 45 -12.600 -0.491 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.995 -1.989 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.166 -2.208 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.813 -3.157 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.007 -3.226 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.714 -5.291 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.655 -3.875 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.869 -5.029 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.901 -5.389 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -13.145 -5.132 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.441 -4.046 -5.309 1.00 0.00 H new ATOM 627 N VAL A 46 -12.095 0.577 -4.328 1.00 0.00 N ATOM 628 CA VAL A 46 -11.530 1.564 -3.415 1.00 0.00 C ATOM 629 C VAL A 46 -12.412 1.742 -2.184 1.00 0.00 C ATOM 630 O VAL A 46 -11.916 1.979 -1.082 1.00 0.00 O ATOM 631 CB VAL A 46 -11.350 2.929 -4.106 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.111 4.022 -3.076 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.209 2.871 -5.110 1.00 0.00 C ATOM 0 H VAL A 46 -12.144 0.882 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.554 1.189 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.266 3.167 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.986 4.979 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.964 4.078 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.211 3.794 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.096 3.844 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.284 2.610 -4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.428 2.117 -5.867 1.00 0.00 H new ATOM 643 N ASP A 47 -13.721 1.626 -2.379 1.00 0.00 N ATOM 644 CA ASP A 47 -14.672 1.773 -1.284 1.00 0.00 C ATOM 645 C ASP A 47 -14.649 0.547 -0.376 1.00 0.00 C ATOM 646 O ASP A 47 -14.508 0.665 0.842 1.00 0.00 O ATOM 647 CB ASP A 47 -16.084 1.990 -1.832 1.00 0.00 C ATOM 648 CG ASP A 47 -16.298 1.304 -3.167 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.975 1.915 -4.206 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.790 0.156 -3.172 1.00 0.00 O ATOM 0 H ASP A 47 -14.147 1.431 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.380 2.644 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.812 1.614 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.268 3.059 -1.942 1.00 0.00 H new ATOM 655 N THR A 48 -14.790 -0.631 -0.976 1.00 0.00 N ATOM 656 CA THR A 48 -14.788 -1.878 -0.222 1.00 0.00 C ATOM 657 C THR A 48 -13.520 -2.013 0.613 1.00 0.00 C ATOM 658 O THR A 48 -13.506 -2.705 1.631 1.00 0.00 O ATOM 659 CB THR A 48 -14.908 -3.098 -1.155 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.968 -2.894 -2.095 1.00 0.00 O ATOM 661 CG2 THR A 48 -15.168 -4.366 -0.356 1.00 0.00 C ATOM 0 H THR A 48 -14.907 -0.747 -1.983 1.00 0.00 H new ATOM 0 HA THR A 48 -15.654 -1.850 0.440 1.00 0.00 H new ATOM 0 HB THR A 48 -13.966 -3.212 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.036 -3.673 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.249 -5.214 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.344 -4.534 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.097 -4.259 0.204 1.00 0.00 H new ATOM 669 N TYR A 49 -12.456 -1.349 0.176 1.00 0.00 N ATOM 670 CA TYR A 49 -11.181 -1.397 0.882 1.00 0.00 C ATOM 671 C TYR A 49 -11.185 -0.448 2.077 1.00 0.00 C ATOM 672 O TYR A 49 -11.034 -0.873 3.222 1.00 0.00 O ATOM 673 CB TYR A 49 -10.035 -1.038 -0.065 1.00 0.00 C ATOM 674 CG TYR A 49 -9.845 -2.031 -1.189 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.946 -3.397 -0.959 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.564 -1.602 -2.481 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.773 -4.308 -1.983 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.391 -2.506 -3.511 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.496 -3.858 -3.257 1.00 0.00 C ATOM 680 OH TYR A 49 -9.322 -4.761 -4.281 1.00 0.00 O ATOM 0 H TYR A 49 -12.451 -0.771 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.035 -2.413 1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.222 -0.052 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.110 -0.968 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.163 -3.753 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.480 -0.544 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.854 -5.367 -1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.175 -2.156 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.884 -5.548 -4.122 1.00 0.00 H new ATOM 690 N ARG A 50 -11.359 0.841 1.800 1.00 0.00 N ATOM 691 CA ARG A 50 -11.382 1.851 2.851 1.00 0.00 C ATOM 692 C ARG A 50 -12.280 1.415 4.005 1.00 0.00 C ATOM 693 O ARG A 50 -12.121 1.876 5.135 1.00 0.00 O ATOM 694 CB ARG A 50 -11.868 3.189 2.290 1.00 0.00 C ATOM 695 CG ARG A 50 -13.370 3.246 2.065 1.00 0.00 C ATOM 696 CD ARG A 50 -13.871 4.680 2.002 1.00 0.00 C ATOM 697 NE ARG A 50 -14.213 5.199 3.324 1.00 0.00 N ATOM 698 CZ ARG A 50 -14.722 6.408 3.529 1.00 0.00 C ATOM 699 NH1 ARG A 50 -14.948 7.219 2.505 1.00 0.00 N ATOM 700 NH2 ARG A 50 -15.008 6.808 4.762 1.00 0.00 N ATOM 0 H ARG A 50 -11.486 1.210 0.857 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.367 1.970 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.581 3.986 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.360 3.383 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.620 2.731 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.880 2.717 2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.106 5.312 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.747 4.730 1.355 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.052 4.600 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.731 6.915 1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.339 8.147 2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.837 6.186 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.399 7.737 4.919 1.00 0.00 H new ATOM 714 N GLN A 51 -13.223 0.525 3.712 1.00 0.00 N ATOM 715 CA GLN A 51 -14.146 0.028 4.725 1.00 0.00 C ATOM 716 C GLN A 51 -13.394 -0.686 5.843 1.00 0.00 C ATOM 717 O GLN A 51 -13.694 -0.504 7.023 1.00 0.00 O ATOM 718 CB GLN A 51 -15.167 -0.919 4.094 1.00 0.00 C ATOM 719 CG GLN A 51 -16.293 -0.203 3.366 1.00 0.00 C ATOM 720 CD GLN A 51 -17.190 0.580 4.305 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.036 0.518 5.525 1.00 0.00 O ATOM 722 NE2 GLN A 51 -18.135 1.322 3.740 1.00 0.00 N ATOM 0 H GLN A 51 -13.368 0.134 2.781 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.670 0.882 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.654 -1.578 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.593 -1.551 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.869 0.475 2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.892 -0.934 2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.227 1.344 2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.769 1.870 4.322 1.00 0.00 H new ATOM 731 N THR A 52 -12.415 -1.502 5.464 1.00 0.00 N ATOM 732 CA THR A 52 -11.621 -2.246 6.433 1.00 0.00 C ATOM 733 C THR A 52 -10.660 -1.327 7.177 1.00 0.00 C ATOM 734 O THR A 52 -10.641 -0.116 6.952 1.00 0.00 O ATOM 735 CB THR A 52 -10.817 -3.372 5.756 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.674 -2.824 5.090 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.680 -4.127 4.756 1.00 0.00 C ATOM 0 H THR A 52 -12.153 -1.664 4.492 1.00 0.00 H new ATOM 0 HA THR A 52 -12.321 -2.687 7.143 1.00 0.00 H new ATOM 0 HB THR A 52 -10.489 -4.069 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.966 -2.157 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.091 -4.917 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.534 -4.567 5.271 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.034 -3.439 3.989 1.00 0.00 H new ATOM 745 N THR A 53 -9.860 -1.908 8.066 1.00 0.00 N ATOM 746 CA THR A 53 -8.895 -1.141 8.844 1.00 0.00 C ATOM 747 C THR A 53 -7.534 -1.113 8.158 1.00 0.00 C ATOM 748 O THR A 53 -6.820 -0.112 8.217 1.00 0.00 O ATOM 749 CB THR A 53 -8.731 -1.719 10.262 1.00 0.00 C ATOM 750 OG1 THR A 53 -7.642 -1.073 10.931 1.00 0.00 O ATOM 751 CG2 THR A 53 -8.483 -3.219 10.210 1.00 0.00 C ATOM 0 H THR A 53 -9.862 -2.908 8.265 1.00 0.00 H new ATOM 0 HA THR A 53 -9.283 -0.125 8.916 1.00 0.00 H new ATOM 0 HB THR A 53 -9.654 -1.539 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.545 -1.445 11.833 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.370 -3.605 11.223 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.327 -3.711 9.726 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.574 -3.418 9.643 1.00 0.00 H new ATOM 759 N SER A 54 -7.182 -2.217 7.507 1.00 0.00 N ATOM 760 CA SER A 54 -5.904 -2.319 6.812 1.00 0.00 C ATOM 761 C SER A 54 -6.114 -2.570 5.322 1.00 0.00 C ATOM 762 O SER A 54 -5.861 -3.660 4.809 1.00 0.00 O ATOM 763 CB SER A 54 -5.059 -3.442 7.416 1.00 0.00 C ATOM 764 OG SER A 54 -4.589 -3.090 8.706 1.00 0.00 O ATOM 0 H SER A 54 -7.763 -3.053 7.446 1.00 0.00 H new ATOM 0 HA SER A 54 -5.377 -1.373 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.652 -4.354 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.213 -3.656 6.763 1.00 0.00 H new ATOM 0 HG SER A 54 -4.053 -3.825 9.071 1.00 0.00 H new ATOM 770 N PRO A 55 -6.589 -1.537 4.611 1.00 0.00 N ATOM 771 CA PRO A 55 -6.844 -1.620 3.169 1.00 0.00 C ATOM 772 C PRO A 55 -5.557 -1.714 2.357 1.00 0.00 C ATOM 773 O PRO A 55 -5.522 -2.349 1.303 1.00 0.00 O ATOM 774 CB PRO A 55 -7.575 -0.310 2.863 1.00 0.00 C ATOM 775 CG PRO A 55 -7.130 0.631 3.929 1.00 0.00 C ATOM 776 CD PRO A 55 -6.913 -0.209 5.158 1.00 0.00 C ATOM 0 HA PRO A 55 -7.411 -2.513 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.318 0.064 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.656 -0.446 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.213 1.143 3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.881 1.400 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.102 0.181 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.803 -0.239 5.786 1.00 0.00 H new ATOM 784 N SER A 56 -4.501 -1.079 2.855 1.00 0.00 N ATOM 785 CA SER A 56 -3.212 -1.089 2.173 1.00 0.00 C ATOM 786 C SER A 56 -2.869 -2.492 1.680 1.00 0.00 C ATOM 787 O SER A 56 -2.719 -2.721 0.481 1.00 0.00 O ATOM 788 CB SER A 56 -2.112 -0.582 3.108 1.00 0.00 C ATOM 789 OG SER A 56 -2.160 0.828 3.234 1.00 0.00 O ATOM 0 H SER A 56 -4.512 -0.551 3.728 1.00 0.00 H new ATOM 0 HA SER A 56 -3.280 -0.426 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.224 -1.042 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.137 -0.883 2.725 1.00 0.00 H new ATOM 0 HG SER A 56 -1.249 1.190 3.212 1.00 0.00 H new ATOM 795 N GLY A 57 -2.747 -3.428 2.616 1.00 0.00 N ATOM 796 CA GLY A 57 -2.423 -4.797 2.259 1.00 0.00 C ATOM 797 C GLY A 57 -3.503 -5.448 1.419 1.00 0.00 C ATOM 798 O GLY A 57 -3.213 -6.084 0.405 1.00 0.00 O ATOM 0 H GLY A 57 -2.867 -3.263 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.481 -4.813 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.273 -5.380 3.167 1.00 0.00 H new ATOM 802 N SER A 58 -4.754 -5.292 1.841 1.00 0.00 N ATOM 803 CA SER A 58 -5.882 -5.875 1.124 1.00 0.00 C ATOM 804 C SER A 58 -5.998 -5.284 -0.278 1.00 0.00 C ATOM 805 O SER A 58 -6.746 -5.787 -1.117 1.00 0.00 O ATOM 806 CB SER A 58 -7.181 -5.642 1.897 1.00 0.00 C ATOM 807 OG SER A 58 -7.292 -6.538 2.989 1.00 0.00 O ATOM 0 H SER A 58 -5.012 -4.766 2.676 1.00 0.00 H new ATOM 0 HA SER A 58 -5.709 -6.947 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.212 -4.615 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.033 -5.770 1.229 1.00 0.00 H new ATOM 0 HG SER A 58 -8.130 -6.368 3.468 1.00 0.00 H new ATOM 813 N LEU A 59 -5.252 -4.212 -0.525 1.00 0.00 N ATOM 814 CA LEU A 59 -5.270 -3.550 -1.825 1.00 0.00 C ATOM 815 C LEU A 59 -4.307 -4.228 -2.794 1.00 0.00 C ATOM 816 O LEU A 59 -4.655 -4.500 -3.944 1.00 0.00 O ATOM 817 CB LEU A 59 -4.904 -2.073 -1.672 1.00 0.00 C ATOM 818 CG LEU A 59 -4.882 -1.250 -2.961 1.00 0.00 C ATOM 819 CD1 LEU A 59 -6.288 -1.102 -3.522 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.259 0.115 -2.711 1.00 0.00 C ATOM 0 H LEU A 59 -4.627 -3.783 0.158 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.279 -3.627 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.613 -1.613 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.920 -2.009 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.273 -1.776 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.254 -0.514 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.699 -2.088 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.920 -0.598 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.252 0.687 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.842 0.649 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.237 -0.011 -2.354 1.00 0.00 H new ATOM 832 N LEU A 60 -3.095 -4.499 -2.322 1.00 0.00 N ATOM 833 CA LEU A 60 -2.081 -5.148 -3.146 1.00 0.00 C ATOM 834 C LEU A 60 -2.460 -6.596 -3.437 1.00 0.00 C ATOM 835 O LEU A 60 -2.646 -6.979 -4.592 1.00 0.00 O ATOM 836 CB LEU A 60 -0.719 -5.095 -2.450 1.00 0.00 C ATOM 837 CG LEU A 60 -0.110 -3.704 -2.272 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.889 -3.701 -1.125 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.554 -3.244 -3.562 1.00 0.00 C ATOM 0 H LEU A 60 -2.791 -4.280 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.020 -4.611 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.818 -5.555 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.019 -5.706 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.911 -3.006 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.312 -2.703 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.384 -3.986 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.688 -4.412 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.982 -2.252 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.344 -3.944 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.188 -3.206 -4.360 1.00 0.00 H new ATOM 851 N ARG A 61 -2.574 -7.396 -2.382 1.00 0.00 N ATOM 852 CA ARG A 61 -2.933 -8.802 -2.524 1.00 0.00 C ATOM 853 C ARG A 61 -4.105 -8.970 -3.487 1.00 0.00 C ATOM 854 O ARG A 61 -4.264 -10.019 -4.109 1.00 0.00 O ATOM 855 CB ARG A 61 -3.288 -9.400 -1.162 1.00 0.00 C ATOM 856 CG ARG A 61 -4.569 -8.840 -0.566 1.00 0.00 C ATOM 857 CD ARG A 61 -5.218 -9.828 0.390 1.00 0.00 C ATOM 858 NE ARG A 61 -6.157 -10.714 -0.292 1.00 0.00 N ATOM 859 CZ ARG A 61 -7.402 -10.369 -0.600 1.00 0.00 C ATOM 860 NH1 ARG A 61 -7.855 -9.163 -0.288 1.00 0.00 N ATOM 861 NH2 ARG A 61 -8.196 -11.231 -1.222 1.00 0.00 N ATOM 0 H ARG A 61 -2.423 -7.095 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.072 -9.331 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.387 -10.481 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.466 -9.219 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.350 -7.912 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.267 -8.595 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.445 -10.424 0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.740 -9.282 1.176 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.839 -11.649 -0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.247 -8.498 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.812 -8.900 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.850 -12.160 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.152 -10.965 -1.458 1.00 0.00 H new ATOM 875 N SER A 62 -4.922 -7.928 -3.603 1.00 0.00 N ATOM 876 CA SER A 62 -6.082 -7.961 -4.486 1.00 0.00 C ATOM 877 C SER A 62 -5.707 -7.508 -5.893 1.00 0.00 C ATOM 878 O SER A 62 -6.321 -7.922 -6.876 1.00 0.00 O ATOM 879 CB SER A 62 -7.197 -7.072 -3.932 1.00 0.00 C ATOM 880 OG SER A 62 -7.705 -7.591 -2.715 1.00 0.00 O ATOM 0 H SER A 62 -4.802 -7.051 -3.097 1.00 0.00 H new ATOM 0 HA SER A 62 -6.439 -8.990 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.816 -6.064 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.002 -6.995 -4.663 1.00 0.00 H new ATOM 0 HG SER A 62 -7.442 -7.006 -1.975 1.00 0.00 H new ATOM 886 N TYR A 63 -4.693 -6.653 -5.982 1.00 0.00 N ATOM 887 CA TYR A 63 -4.236 -6.140 -7.268 1.00 0.00 C ATOM 888 C TYR A 63 -3.805 -7.279 -8.186 1.00 0.00 C ATOM 889 O TYR A 63 -3.921 -7.183 -9.408 1.00 0.00 O ATOM 890 CB TYR A 63 -3.076 -5.164 -7.068 1.00 0.00 C ATOM 891 CG TYR A 63 -2.297 -4.882 -8.333 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.881 -4.204 -9.395 1.00 0.00 C ATOM 893 CD2 TYR A 63 -0.977 -5.294 -8.465 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.173 -3.945 -10.553 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.261 -5.039 -9.619 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.864 -4.364 -10.660 1.00 0.00 C ATOM 897 OH TYR A 63 -0.154 -4.108 -11.811 1.00 0.00 O ATOM 0 H TYR A 63 -4.172 -6.301 -5.179 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.067 -5.614 -7.737 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.466 -4.225 -6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.398 -5.568 -6.316 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.906 -3.874 -9.314 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.502 -5.823 -7.652 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.643 -3.417 -11.370 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.765 -5.366 -9.705 1.00 0.00 H new ATOM 0 HH TYR A 63 0.706 -4.577 -11.776 1.00 0.00 H new ATOM 907 N GLU A 64 -3.307 -8.357 -7.588 1.00 0.00 N ATOM 908 CA GLU A 64 -2.857 -9.515 -8.352 1.00 0.00 C ATOM 909 C GLU A 64 -4.035 -10.408 -8.729 1.00 0.00 C ATOM 910 O GLU A 64 -4.060 -10.999 -9.810 1.00 0.00 O ATOM 911 CB GLU A 64 -1.831 -10.317 -7.549 1.00 0.00 C ATOM 912 CG GLU A 64 -2.423 -11.026 -6.342 1.00 0.00 C ATOM 913 CD GLU A 64 -1.510 -12.106 -5.795 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.592 -11.771 -5.019 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.716 -13.288 -6.144 1.00 0.00 O ATOM 0 H GLU A 64 -3.205 -8.453 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.388 -9.154 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.367 -11.056 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.040 -9.647 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.625 -10.295 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.379 -11.470 -6.619 1.00 0.00 H new ATOM 922 N LEU A 65 -5.010 -10.502 -7.832 1.00 0.00 N ATOM 923 CA LEU A 65 -6.192 -11.324 -8.069 1.00 0.00 C ATOM 924 C LEU A 65 -6.843 -10.969 -9.401 1.00 0.00 C ATOM 925 O LEU A 65 -7.307 -11.846 -10.130 1.00 0.00 O ATOM 926 CB LEU A 65 -7.199 -11.143 -6.932 1.00 0.00 C ATOM 927 CG LEU A 65 -6.735 -11.592 -5.546 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.841 -11.394 -4.522 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.289 -13.046 -5.578 1.00 0.00 C ATOM 0 H LEU A 65 -5.006 -10.019 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.878 -12.367 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.470 -10.089 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.105 -11.693 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.883 -10.978 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.492 -11.719 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.112 -10.339 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.713 -11.981 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.962 -13.348 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.121 -13.675 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.463 -13.158 -6.281 1.00 0.00 H new ATOM 941 N ALA A 66 -6.873 -9.678 -9.715 1.00 0.00 N ATOM 942 CA ALA A 66 -7.463 -9.208 -10.962 1.00 0.00 C ATOM 943 C ALA A 66 -6.633 -9.649 -12.163 1.00 0.00 C ATOM 944 O ALA A 66 -7.164 -9.861 -13.252 1.00 0.00 O ATOM 945 CB ALA A 66 -7.602 -7.693 -10.942 1.00 0.00 C ATOM 0 H ALA A 66 -6.495 -8.939 -9.122 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.454 -9.652 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.044 -7.356 -11.880 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.243 -7.397 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.619 -7.239 -10.821 1.00 0.00 H new ATOM 951 N GLY A 67 -5.327 -9.785 -11.956 1.00 0.00 N ATOM 952 CA GLY A 67 -4.445 -10.199 -13.031 1.00 0.00 C ATOM 953 C GLY A 67 -3.344 -9.193 -13.299 1.00 0.00 C ATOM 954 O GLY A 67 -2.843 -9.092 -14.418 1.00 0.00 O ATOM 0 H GLY A 67 -4.864 -9.616 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.000 -11.162 -12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.029 -10.344 -13.940 1.00 0.00 H new ATOM 958 N GLY A 68 -2.966 -8.442 -12.268 1.00 0.00 N ATOM 959 CA GLY A 68 -1.921 -7.447 -12.418 1.00 0.00 C ATOM 960 C GLY A 68 -0.570 -7.949 -11.950 1.00 0.00 C ATOM 961 O GLY A 68 -0.490 -8.851 -11.115 1.00 0.00 O ATOM 0 H GLY A 68 -3.366 -8.506 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.852 -7.152 -13.465 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.189 -6.555 -11.852 1.00 0.00 H new ATOM 965 N ASP A 69 0.495 -7.366 -12.489 1.00 0.00 N ATOM 966 CA ASP A 69 1.850 -7.761 -12.122 1.00 0.00 C ATOM 967 C ASP A 69 2.643 -6.565 -11.606 1.00 0.00 C ATOM 968 O ASP A 69 2.297 -5.414 -11.875 1.00 0.00 O ATOM 969 CB ASP A 69 2.565 -8.383 -13.322 1.00 0.00 C ATOM 970 CG ASP A 69 2.344 -7.598 -14.600 1.00 0.00 C ATOM 971 OD1 ASP A 69 2.660 -6.390 -14.617 1.00 0.00 O ATOM 972 OD2 ASP A 69 1.854 -8.192 -15.583 1.00 0.00 O ATOM 0 H ASP A 69 0.446 -6.619 -13.181 1.00 0.00 H new ATOM 0 HA ASP A 69 1.783 -8.501 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.634 -8.440 -13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.212 -9.405 -13.461 1.00 0.00 H new ATOM 977 N LEU A 70 3.708 -6.844 -10.862 1.00 0.00 N ATOM 978 CA LEU A 70 4.551 -5.791 -10.306 1.00 0.00 C ATOM 979 C LEU A 70 4.712 -4.643 -11.297 1.00 0.00 C ATOM 980 O LEU A 70 4.464 -3.484 -10.966 1.00 0.00 O ATOM 981 CB LEU A 70 5.923 -6.353 -9.931 1.00 0.00 C ATOM 982 CG LEU A 70 6.690 -5.588 -8.852 1.00 0.00 C ATOM 983 CD1 LEU A 70 5.872 -5.506 -7.573 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.035 -6.247 -8.585 1.00 0.00 C ATOM 0 H LEU A 70 4.008 -7.791 -10.630 1.00 0.00 H new ATOM 0 HA LEU A 70 4.066 -5.407 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.792 -7.382 -9.595 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.538 -6.387 -10.830 1.00 0.00 H new ATOM 0 HG LEU A 70 6.869 -4.574 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.434 -4.958 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.934 -4.989 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.661 -6.512 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.567 -5.689 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.878 -7.272 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.625 -6.253 -9.501 1.00 0.00 H new ATOM 996 N ALA A 71 5.128 -4.974 -12.516 1.00 0.00 N ATOM 997 CA ALA A 71 5.318 -3.971 -13.556 1.00 0.00 C ATOM 998 C ALA A 71 4.158 -2.982 -13.585 1.00 0.00 C ATOM 999 O ALA A 71 4.328 -1.801 -13.284 1.00 0.00 O ATOM 1000 CB ALA A 71 5.475 -4.642 -14.913 1.00 0.00 C ATOM 0 H ALA A 71 5.340 -5.929 -12.807 1.00 0.00 H new ATOM 0 HA ALA A 71 6.228 -3.416 -13.328 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.616 -3.881 -15.681 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.341 -5.303 -14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.580 -5.222 -15.138 1.00 0.00 H new ATOM 1006 N GLY A 72 2.977 -3.472 -13.948 1.00 0.00 N ATOM 1007 CA GLY A 72 1.805 -2.618 -14.010 1.00 0.00 C ATOM 1008 C GLY A 72 1.740 -1.640 -12.853 1.00 0.00 C ATOM 1009 O GLY A 72 1.491 -0.450 -13.050 1.00 0.00 O ATOM 0 H GLY A 72 2.811 -4.446 -14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.811 -2.065 -14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.908 -3.237 -14.010 1.00 0.00 H new ATOM 1013 N LEU A 73 1.962 -2.142 -11.644 1.00 0.00 N ATOM 1014 CA LEU A 73 1.925 -1.305 -10.450 1.00 0.00 C ATOM 1015 C LEU A 73 3.010 -0.234 -10.501 1.00 0.00 C ATOM 1016 O LEU A 73 2.755 0.939 -10.225 1.00 0.00 O ATOM 1017 CB LEU A 73 2.099 -2.163 -9.195 1.00 0.00 C ATOM 1018 CG LEU A 73 1.691 -1.511 -7.874 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.200 -1.210 -7.865 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.064 -2.405 -6.700 1.00 0.00 C ATOM 0 H LEU A 73 2.170 -3.124 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 73 0.954 -0.811 -10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.518 -3.077 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.146 -2.458 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 73 2.231 -0.570 -7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.072 -0.746 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.039 -0.530 -8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.359 -2.137 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.766 -1.925 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.552 -3.363 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.142 -2.569 -6.695 1.00 0.00 H new ATOM 1032 N LEU A 74 4.222 -0.645 -10.859 1.00 0.00 N ATOM 1033 CA LEU A 74 5.347 0.279 -10.950 1.00 0.00 C ATOM 1034 C LEU A 74 5.024 1.440 -11.884 1.00 0.00 C ATOM 1035 O LEU A 74 5.489 2.561 -11.681 1.00 0.00 O ATOM 1036 CB LEU A 74 6.596 -0.454 -11.441 1.00 0.00 C ATOM 1037 CG LEU A 74 7.141 -1.545 -10.519 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.061 -2.482 -11.286 1.00 0.00 C ATOM 1039 CD2 LEU A 74 7.872 -0.927 -9.336 1.00 0.00 C ATOM 0 H LEU A 74 4.450 -1.612 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 74 5.537 0.680 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.372 -0.903 -12.409 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.383 0.282 -11.605 1.00 0.00 H new ATOM 0 HG LEU A 74 6.301 -2.126 -10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.439 -3.252 -10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.507 -2.951 -12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.897 -1.916 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.253 -1.718 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.703 -0.322 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.184 -0.298 -8.771 1.00 0.00 H new ATOM 1051 N GLU A 75 4.223 1.164 -12.908 1.00 0.00 N ATOM 1052 CA GLU A 75 3.837 2.187 -13.873 1.00 0.00 C ATOM 1053 C GLU A 75 2.959 3.249 -13.218 1.00 0.00 C ATOM 1054 O GLU A 75 3.124 4.443 -13.463 1.00 0.00 O ATOM 1055 CB GLU A 75 3.096 1.553 -15.053 1.00 0.00 C ATOM 1056 CG GLU A 75 2.096 2.486 -15.716 1.00 0.00 C ATOM 1057 CD GLU A 75 1.730 2.046 -17.120 1.00 0.00 C ATOM 1058 OE1 GLU A 75 2.571 1.395 -17.775 1.00 0.00 O ATOM 1059 OE2 GLU A 75 0.604 2.352 -17.563 1.00 0.00 O ATOM 0 H GLU A 75 3.829 0.241 -13.091 1.00 0.00 H new ATOM 0 HA GLU A 75 4.745 2.666 -14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.824 1.227 -15.796 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.574 0.661 -14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.193 2.536 -15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.512 3.493 -15.752 1.00 0.00 H new ATOM 1066 N ALA A 76 2.024 2.804 -12.385 1.00 0.00 N ATOM 1067 CA ALA A 76 1.120 3.715 -11.693 1.00 0.00 C ATOM 1068 C ALA A 76 1.869 4.552 -10.661 1.00 0.00 C ATOM 1069 O ALA A 76 1.769 5.779 -10.652 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.006 2.938 -11.029 1.00 0.00 C ATOM 0 H ALA A 76 1.873 1.818 -12.173 1.00 0.00 H new ATOM 0 HA ALA A 76 0.692 4.393 -12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.673 3.631 -10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.565 2.389 -11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.412 2.236 -10.308 1.00 0.00 H new ATOM 1076 N LEU A 77 2.617 3.881 -9.793 1.00 0.00 N ATOM 1077 CA LEU A 77 3.383 4.563 -8.755 1.00 0.00 C ATOM 1078 C LEU A 77 4.225 5.687 -9.350 1.00 0.00 C ATOM 1079 O LEU A 77 4.242 6.804 -8.833 1.00 0.00 O ATOM 1080 CB LEU A 77 4.284 3.569 -8.022 1.00 0.00 C ATOM 1081 CG LEU A 77 3.570 2.483 -7.216 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.556 1.417 -6.764 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.854 3.092 -6.018 1.00 0.00 C ATOM 0 H LEU A 77 2.710 2.865 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 77 2.679 4.998 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.928 3.084 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.933 4.127 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 77 2.826 2.011 -7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.029 0.653 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.023 0.960 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.324 1.873 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.351 2.305 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.580 3.590 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.118 3.817 -6.364 1.00 0.00 H new ATOM 1095 N SER A 78 4.921 5.385 -10.442 1.00 0.00 N ATOM 1096 CA SER A 78 5.766 6.369 -11.107 1.00 0.00 C ATOM 1097 C SER A 78 4.941 7.559 -11.586 1.00 0.00 C ATOM 1098 O SER A 78 5.232 8.707 -11.249 1.00 0.00 O ATOM 1099 CB SER A 78 6.496 5.730 -12.290 1.00 0.00 C ATOM 1100 OG SER A 78 7.457 6.616 -12.836 1.00 0.00 O ATOM 0 H SER A 78 4.916 4.466 -10.885 1.00 0.00 H new ATOM 0 HA SER A 78 6.501 6.726 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.986 4.812 -11.966 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.775 5.452 -13.059 1.00 0.00 H new ATOM 0 HG SER A 78 7.910 6.183 -13.589 1.00 0.00 H new ATOM 1106 N ASP A 79 3.910 7.277 -12.374 1.00 0.00 N ATOM 1107 CA ASP A 79 3.040 8.323 -12.900 1.00 0.00 C ATOM 1108 C ASP A 79 2.492 9.191 -11.772 1.00 0.00 C ATOM 1109 O ASP A 79 2.285 10.392 -11.946 1.00 0.00 O ATOM 1110 CB ASP A 79 1.887 7.706 -13.693 1.00 0.00 C ATOM 1111 CG ASP A 79 1.381 8.623 -14.789 1.00 0.00 C ATOM 1112 OD1 ASP A 79 2.174 9.455 -15.278 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.193 8.510 -15.157 1.00 0.00 O ATOM 0 H ASP A 79 3.656 6.332 -12.663 1.00 0.00 H new ATOM 0 HA ASP A 79 3.631 8.953 -13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.216 6.765 -14.134 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.068 7.470 -13.014 1.00 0.00 H new ATOM 1118 N MET A 80 2.258 8.576 -10.618 1.00 0.00 N ATOM 1119 CA MET A 80 1.734 9.293 -9.462 1.00 0.00 C ATOM 1120 C MET A 80 2.841 10.070 -8.756 1.00 0.00 C ATOM 1121 O MET A 80 2.579 11.054 -8.066 1.00 0.00 O ATOM 1122 CB MET A 80 1.077 8.318 -8.484 1.00 0.00 C ATOM 1123 CG MET A 80 -0.248 7.760 -8.980 1.00 0.00 C ATOM 1124 SD MET A 80 -1.131 6.835 -7.709 1.00 0.00 S ATOM 1125 CE MET A 80 -1.003 7.959 -6.321 1.00 0.00 C ATOM 0 H MET A 80 2.423 7.582 -10.458 1.00 0.00 H new ATOM 0 HA MET A 80 0.985 10.002 -9.815 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.761 7.491 -8.293 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.915 8.824 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.875 8.580 -9.329 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.067 7.111 -9.837 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.805 7.755 -5.612 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.040 7.821 -5.829 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.086 8.986 -6.676 1.00 0.00 H new ATOM 1135 N GLY A 81 4.080 9.621 -8.935 1.00 0.00 N ATOM 1136 CA GLY A 81 5.207 10.286 -8.308 1.00 0.00 C ATOM 1137 C GLY A 81 5.909 9.405 -7.294 1.00 0.00 C ATOM 1138 O GLY A 81 7.086 9.608 -6.993 1.00 0.00 O ATOM 0 H GLY A 81 4.323 8.809 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.919 10.589 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.861 11.195 -7.817 1.00 0.00 H new ATOM 1142 N LEU A 82 5.187 8.423 -6.765 1.00 0.00 N ATOM 1143 CA LEU A 82 5.747 7.508 -5.776 1.00 0.00 C ATOM 1144 C LEU A 82 6.960 6.775 -6.340 1.00 0.00 C ATOM 1145 O LEU A 82 6.828 5.711 -6.944 1.00 0.00 O ATOM 1146 CB LEU A 82 4.689 6.499 -5.329 1.00 0.00 C ATOM 1147 CG LEU A 82 3.375 7.088 -4.815 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.229 6.112 -5.037 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.493 7.448 -3.341 1.00 0.00 C ATOM 0 H LEU A 82 4.213 8.240 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 82 6.067 8.094 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.465 5.841 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.118 5.878 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 82 3.163 7.999 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.302 6.548 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.130 5.903 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.433 5.184 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.549 7.866 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.729 6.553 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.286 8.184 -3.209 1.00 0.00 H new ATOM 1161 N GLU A 83 8.141 7.350 -6.136 1.00 0.00 N ATOM 1162 CA GLU A 83 9.377 6.749 -6.623 1.00 0.00 C ATOM 1163 C GLU A 83 9.881 5.681 -5.655 1.00 0.00 C ATOM 1164 O GLU A 83 10.271 4.590 -6.068 1.00 0.00 O ATOM 1165 CB GLU A 83 10.450 7.822 -6.818 1.00 0.00 C ATOM 1166 CG GLU A 83 10.239 8.675 -8.058 1.00 0.00 C ATOM 1167 CD GLU A 83 11.372 9.654 -8.293 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.506 9.366 -7.857 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.125 10.709 -8.914 1.00 0.00 O ATOM 0 H GLU A 83 8.268 8.231 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 83 9.167 6.276 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.469 8.469 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.426 7.341 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.139 8.026 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.303 9.225 -7.961 1.00 0.00 H new ATOM 1176 N GLU A 84 9.869 6.006 -4.366 1.00 0.00 N ATOM 1177 CA GLU A 84 10.326 5.076 -3.341 1.00 0.00 C ATOM 1178 C GLU A 84 9.692 3.701 -3.531 1.00 0.00 C ATOM 1179 O GLU A 84 10.372 2.733 -3.867 1.00 0.00 O ATOM 1180 CB GLU A 84 9.994 5.614 -1.947 1.00 0.00 C ATOM 1181 CG GLU A 84 10.945 5.131 -0.865 1.00 0.00 C ATOM 1182 CD GLU A 84 12.228 5.938 -0.813 1.00 0.00 C ATOM 1183 OE1 GLU A 84 12.640 6.467 -1.866 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.820 6.039 0.282 1.00 0.00 O ATOM 0 H GLU A 84 9.548 6.905 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 84 11.407 4.975 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.011 6.704 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.978 5.318 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.446 5.186 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.186 4.083 -1.040 1.00 0.00 H new ATOM 1191 N GLY A 85 8.382 3.625 -3.313 1.00 0.00 N ATOM 1192 CA GLY A 85 7.677 2.366 -3.465 1.00 0.00 C ATOM 1193 C GLY A 85 8.179 1.558 -4.646 1.00 0.00 C ATOM 1194 O GLY A 85 8.320 0.338 -4.558 1.00 0.00 O ATOM 0 H GLY A 85 7.797 4.413 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.788 1.779 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.612 2.562 -3.590 1.00 0.00 H new ATOM 1198 N VAL A 86 8.450 2.240 -5.754 1.00 0.00 N ATOM 1199 CA VAL A 86 8.939 1.578 -6.958 1.00 0.00 C ATOM 1200 C VAL A 86 10.286 0.911 -6.710 1.00 0.00 C ATOM 1201 O VAL A 86 10.397 -0.315 -6.736 1.00 0.00 O ATOM 1202 CB VAL A 86 9.078 2.572 -8.127 1.00 0.00 C ATOM 1203 CG1 VAL A 86 9.598 1.865 -9.370 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.747 3.253 -8.409 1.00 0.00 C ATOM 0 H VAL A 86 8.339 3.250 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 86 8.204 0.818 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 86 9.800 3.339 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.690 2.583 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.574 1.429 -9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.903 1.076 -9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.864 3.952 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.002 2.502 -8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.420 3.795 -7.521 1.00 0.00 H new ATOM 1214 N ARG A 87 11.308 1.725 -6.468 1.00 0.00 N ATOM 1215 CA ARG A 87 12.650 1.213 -6.214 1.00 0.00 C ATOM 1216 C ARG A 87 12.623 0.122 -5.148 1.00 0.00 C ATOM 1217 O ARG A 87 13.368 -0.856 -5.226 1.00 0.00 O ATOM 1218 CB ARG A 87 13.577 2.348 -5.776 1.00 0.00 C ATOM 1219 CG ARG A 87 13.850 3.368 -6.869 1.00 0.00 C ATOM 1220 CD ARG A 87 14.567 4.592 -6.321 1.00 0.00 C ATOM 1221 NE ARG A 87 14.651 5.665 -7.309 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.545 5.692 -8.291 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.427 4.710 -8.416 1.00 0.00 N ATOM 1224 NH2 ARG A 87 15.557 6.703 -9.151 1.00 0.00 N ATOM 0 H ARG A 87 11.233 2.742 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 87 13.029 0.781 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.135 2.856 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.524 1.924 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.455 2.911 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.909 3.671 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.042 4.954 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.571 4.312 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 87 13.987 6.436 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.420 3.931 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.112 4.733 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.879 7.460 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.244 6.723 -9.905 1.00 0.00 H new ATOM 1238 N LEU A 88 11.762 0.297 -4.152 1.00 0.00 N ATOM 1239 CA LEU A 88 11.638 -0.672 -3.068 1.00 0.00 C ATOM 1240 C LEU A 88 11.196 -2.031 -3.601 1.00 0.00 C ATOM 1241 O LEU A 88 11.890 -3.034 -3.426 1.00 0.00 O ATOM 1242 CB LEU A 88 10.640 -0.172 -2.022 1.00 0.00 C ATOM 1243 CG LEU A 88 10.739 -0.815 -0.639 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.850 -0.084 0.355 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.366 -2.289 -0.707 1.00 0.00 C ATOM 0 H LEU A 88 11.139 1.101 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 88 12.617 -0.786 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.770 0.904 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.632 -0.333 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 88 11.771 -0.738 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.934 -0.556 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.164 0.957 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.814 -0.129 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.442 -2.730 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.343 -2.389 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.045 -2.805 -1.386 1.00 0.00 H new ATOM 1257 N LEU A 89 10.039 -2.057 -4.253 1.00 0.00 N ATOM 1258 CA LEU A 89 9.505 -3.294 -4.815 1.00 0.00 C ATOM 1259 C LEU A 89 10.535 -3.973 -5.712 1.00 0.00 C ATOM 1260 O LEU A 89 10.633 -5.200 -5.742 1.00 0.00 O ATOM 1261 CB LEU A 89 8.229 -3.007 -5.608 1.00 0.00 C ATOM 1262 CG LEU A 89 7.058 -2.433 -4.811 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.013 -1.845 -5.747 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.440 -3.504 -3.924 1.00 0.00 C ATOM 0 H LEU A 89 9.452 -1.237 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 89 9.269 -3.967 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.473 -2.310 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.902 -3.934 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 89 7.435 -1.634 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.187 -1.441 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.462 -1.048 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.640 -2.624 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.608 -3.077 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.078 -4.325 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.191 -3.878 -3.229 1.00 0.00 H new ATOM 1276 N ARG A 90 11.301 -3.168 -6.440 1.00 0.00 N ATOM 1277 CA ARG A 90 12.324 -3.691 -7.338 1.00 0.00 C ATOM 1278 C ARG A 90 13.441 -4.370 -6.551 1.00 0.00 C ATOM 1279 O ARG A 90 13.968 -5.402 -6.966 1.00 0.00 O ATOM 1280 CB ARG A 90 12.902 -2.566 -8.198 1.00 0.00 C ATOM 1281 CG ARG A 90 11.965 -2.099 -9.300 1.00 0.00 C ATOM 1282 CD ARG A 90 12.712 -1.326 -10.376 1.00 0.00 C ATOM 1283 NE ARG A 90 13.239 -2.206 -11.415 1.00 0.00 N ATOM 1284 CZ ARG A 90 13.638 -1.778 -12.607 1.00 0.00 C ATOM 1285 NH1 ARG A 90 13.569 -0.489 -12.910 1.00 0.00 N ATOM 1286 NH2 ARG A 90 14.107 -2.641 -13.500 1.00 0.00 N ATOM 0 H ARG A 90 11.233 -2.150 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 90 11.858 -4.432 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.146 -1.719 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.836 -2.906 -8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.469 -2.961 -9.747 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.185 -1.469 -8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.043 -0.593 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.532 -0.771 -9.921 1.00 0.00 H new ATOM 0 HE ARG A 90 13.304 -3.204 -11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.209 0.177 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.876 -0.163 -13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.161 -3.633 -13.271 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.413 -2.312 -14.415 1.00 0.00 H new