USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot 110:sc= -1.5! USER MOD Set 1.2: A 70 HIS : no HE2:sc= -4.4 K(o=-5.9,f=-18!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.24) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.506 (180deg=-0.811) USER MOD Single : A 19 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.0027) USER MOD Single : A 23 LYS NZ :NH3+ 141:sc= 0.193 (180deg=0.063) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.21) USER MOD Single : A 35 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.00061) USER MOD Single : A 36 THR OG1 : rot -69:sc= 1.19 USER MOD Single : A 37 MET CE :methyl 168:sc= 0 (180deg=-0.197) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.053 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.433 K(o=-0.43,f=-2.6!) USER MOD Single : A 74 TYR OH : rot -98:sc= 0.577 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 17:sc= 0.206 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -12.312 4.170 -0.551 1.00 0.00 N ATOM 79 CA VAL A 5 -11.110 3.588 -1.134 1.00 0.00 C ATOM 80 C VAL A 5 -10.762 2.261 -0.468 1.00 0.00 C ATOM 81 O VAL A 5 -10.128 1.399 -1.077 1.00 0.00 O ATOM 82 CB VAL A 5 -9.904 4.540 -1.018 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.768 4.076 -1.919 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.311 5.967 -1.357 1.00 0.00 C ATOM 0 HA VAL A 5 -11.325 3.418 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.552 4.523 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.925 4.761 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.456 3.074 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.108 4.061 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.445 6.623 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.692 6.004 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.088 6.297 -0.668 1.00 0.00 H new ATOM 94 N ALA A 6 -11.180 2.101 0.784 1.00 0.00 N ATOM 95 CA ALA A 6 -10.911 0.876 1.528 1.00 0.00 C ATOM 96 C ALA A 6 -11.501 -0.336 0.818 1.00 0.00 C ATOM 97 O ALA A 6 -10.830 -1.354 0.641 1.00 0.00 O ATOM 98 CB ALA A 6 -11.465 0.984 2.940 1.00 0.00 C ATOM 0 H ALA A 6 -11.706 2.804 1.304 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.831 0.743 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.257 0.063 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.993 1.822 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.542 1.145 2.897 1.00 0.00 H new ATOM 104 N ARG A 7 -12.756 -0.215 0.409 1.00 0.00 N ATOM 105 CA ARG A 7 -13.439 -1.297 -0.290 1.00 0.00 C ATOM 106 C ARG A 7 -12.770 -1.569 -1.629 1.00 0.00 C ATOM 107 O ARG A 7 -12.371 -2.698 -1.923 1.00 0.00 O ATOM 108 CB ARG A 7 -14.916 -0.947 -0.496 1.00 0.00 C ATOM 109 CG ARG A 7 -15.871 -1.914 0.186 1.00 0.00 C ATOM 110 CD ARG A 7 -16.935 -2.421 -0.775 1.00 0.00 C ATOM 111 NE ARG A 7 -17.979 -1.428 -1.008 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.108 -1.679 -1.667 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.341 -2.891 -2.159 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.008 -0.719 -1.834 1.00 0.00 N ATOM 0 H ARG A 7 -13.323 0.621 0.549 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.375 -2.199 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.099 0.059 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.131 -0.930 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.310 -2.758 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.349 -1.419 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.469 -2.687 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.383 -3.330 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.835 -0.486 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.653 -3.634 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.208 -3.079 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.835 0.213 -1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.873 -0.913 -2.339 1.00 0.00 H new ATOM 128 N GLU A 8 -12.642 -0.522 -2.433 1.00 0.00 N ATOM 129 CA GLU A 8 -12.013 -0.635 -3.740 1.00 0.00 C ATOM 130 C GLU A 8 -10.582 -1.138 -3.599 1.00 0.00 C ATOM 131 O GLU A 8 -10.073 -1.847 -4.464 1.00 0.00 O ATOM 132 CB GLU A 8 -12.024 0.717 -4.457 1.00 0.00 C ATOM 133 CG GLU A 8 -11.463 0.661 -5.868 1.00 0.00 C ATOM 134 CD GLU A 8 -12.198 1.582 -6.824 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.273 2.796 -6.540 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.698 1.087 -7.856 1.00 0.00 O ATOM 0 H GLU A 8 -12.967 0.417 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.581 -1.352 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.048 1.090 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.446 1.433 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.408 0.933 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.521 -0.363 -6.238 1.00 0.00 H new ATOM 143 N PHE A 9 -9.940 -0.769 -2.493 1.00 0.00 N ATOM 144 CA PHE A 9 -8.568 -1.186 -2.228 1.00 0.00 C ATOM 145 C PHE A 9 -8.473 -2.707 -2.163 1.00 0.00 C ATOM 146 O PHE A 9 -7.658 -3.318 -2.854 1.00 0.00 O ATOM 147 CB PHE A 9 -8.072 -0.571 -0.916 1.00 0.00 C ATOM 148 CG PHE A 9 -6.683 -0.998 -0.532 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.448 -2.262 -0.017 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.611 -0.132 -0.689 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.171 -2.655 0.336 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.332 -0.521 -0.338 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.112 -1.784 0.175 1.00 0.00 C ATOM 0 H PHE A 9 -10.349 -0.182 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.937 -0.834 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.097 0.515 -1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.760 -0.843 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.272 -2.948 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.777 0.857 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.002 -3.643 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.505 0.162 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.113 -2.090 0.450 1.00 0.00 H new ATOM 163 N ARG A 10 -9.313 -3.312 -1.328 1.00 0.00 N ATOM 164 CA ARG A 10 -9.326 -4.763 -1.175 1.00 0.00 C ATOM 165 C ARG A 10 -9.577 -5.447 -2.516 1.00 0.00 C ATOM 166 O ARG A 10 -8.928 -6.439 -2.849 1.00 0.00 O ATOM 167 CB ARG A 10 -10.398 -5.181 -0.167 1.00 0.00 C ATOM 168 CG ARG A 10 -9.846 -5.497 1.214 1.00 0.00 C ATOM 169 CD ARG A 10 -10.919 -6.074 2.122 1.00 0.00 C ATOM 170 NE ARG A 10 -10.632 -5.830 3.533 1.00 0.00 N ATOM 171 CZ ARG A 10 -9.777 -6.553 4.252 1.00 0.00 C ATOM 172 NH1 ARG A 10 -9.117 -7.560 3.695 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.578 -6.265 5.532 1.00 0.00 N ATOM 0 H ARG A 10 -9.993 -2.820 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.349 -5.074 -0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.134 -4.382 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.922 -6.057 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.023 -6.206 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.438 -4.590 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.884 -5.635 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.001 -7.147 1.949 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.116 -5.060 3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.264 -7.784 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.463 -8.111 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.080 -5.490 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.923 -6.819 6.083 1.00 0.00 H new ATOM 187 N HIS A 11 -10.525 -4.911 -3.279 1.00 0.00 N ATOM 188 CA HIS A 11 -10.862 -5.469 -4.584 1.00 0.00 C ATOM 189 C HIS A 11 -9.709 -5.296 -5.568 1.00 0.00 C ATOM 190 O HIS A 11 -9.392 -6.205 -6.335 1.00 0.00 O ATOM 191 CB HIS A 11 -12.124 -4.804 -5.133 1.00 0.00 C ATOM 192 CG HIS A 11 -13.390 -5.491 -4.725 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.609 -6.840 -4.910 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.511 -5.008 -4.136 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.808 -7.157 -4.454 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.375 -6.064 -3.979 1.00 0.00 N ATOM 0 H HIS A 11 -11.073 -4.092 -3.016 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.047 -6.536 -4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.156 -3.769 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.068 -4.780 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.691 -3.984 -3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.249 -8.143 -4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.305 -6.012 -3.563 1.00 0.00 H new ATOM 205 N LYS A 12 -9.085 -4.121 -5.541 1.00 0.00 N ATOM 206 CA LYS A 12 -7.969 -3.825 -6.432 1.00 0.00 C ATOM 207 C LYS A 12 -6.800 -4.772 -6.182 1.00 0.00 C ATOM 208 O LYS A 12 -6.363 -5.485 -7.083 1.00 0.00 O ATOM 209 CB LYS A 12 -7.514 -2.378 -6.237 1.00 0.00 C ATOM 210 CG LYS A 12 -7.372 -1.604 -7.535 1.00 0.00 C ATOM 211 CD LYS A 12 -6.088 -0.792 -7.560 1.00 0.00 C ATOM 212 CE LYS A 12 -6.195 0.393 -8.506 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.216 1.463 -8.168 1.00 0.00 N ATOM 0 H LYS A 12 -9.334 -3.359 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.309 -3.964 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.229 -1.865 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.557 -2.374 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.382 -2.297 -8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.227 -0.939 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.862 -0.437 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.259 -1.430 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.027 0.057 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.206 0.800 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.526 2.363 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.156 1.565 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.281 1.210 -8.545 1.00 0.00 H new ATOM 227 N VAL A 13 -6.295 -4.768 -4.952 1.00 0.00 N ATOM 228 CA VAL A 13 -5.171 -5.621 -4.580 1.00 0.00 C ATOM 229 C VAL A 13 -5.433 -7.081 -4.940 1.00 0.00 C ATOM 230 O VAL A 13 -4.557 -7.766 -5.466 1.00 0.00 O ATOM 231 CB VAL A 13 -4.872 -5.523 -3.071 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.605 -6.289 -2.724 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.759 -4.065 -2.641 1.00 0.00 C ATOM 0 H VAL A 13 -6.647 -4.182 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.308 -5.265 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.701 -5.975 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.412 -6.207 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.730 -7.338 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.764 -5.871 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.548 -4.016 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.951 -3.584 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.697 -3.550 -2.849 1.00 0.00 H new ATOM 243 N ASP A 14 -6.642 -7.550 -4.654 1.00 0.00 N ATOM 244 CA ASP A 14 -7.014 -8.930 -4.949 1.00 0.00 C ATOM 245 C ASP A 14 -6.974 -9.197 -6.451 1.00 0.00 C ATOM 246 O ASP A 14 -6.512 -10.250 -6.892 1.00 0.00 O ATOM 247 CB ASP A 14 -8.411 -9.231 -4.403 1.00 0.00 C ATOM 248 CG ASP A 14 -8.374 -9.789 -2.993 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.486 -10.619 -2.707 1.00 0.00 O ATOM 250 OD2 ASP A 14 -9.233 -9.396 -2.177 1.00 0.00 O ATOM 0 H ASP A 14 -7.381 -6.997 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.292 -9.586 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.007 -8.318 -4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.909 -9.944 -5.060 1.00 0.00 H new ATOM 255 N PHE A 15 -7.464 -8.239 -7.230 1.00 0.00 N ATOM 256 CA PHE A 15 -7.487 -8.372 -8.684 1.00 0.00 C ATOM 257 C PHE A 15 -6.076 -8.329 -9.264 1.00 0.00 C ATOM 258 O PHE A 15 -5.690 -9.195 -10.050 1.00 0.00 O ATOM 259 CB PHE A 15 -8.342 -7.265 -9.304 1.00 0.00 C ATOM 260 CG PHE A 15 -9.263 -7.751 -10.386 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.456 -8.378 -10.070 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.933 -7.583 -11.722 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.305 -8.828 -11.063 1.00 0.00 C ATOM 264 CE2 PHE A 15 -9.778 -8.030 -12.721 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.965 -8.655 -12.390 1.00 0.00 C ATOM 0 H PHE A 15 -7.851 -7.362 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.925 -9.340 -8.926 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.934 -6.792 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.686 -6.498 -9.715 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.727 -8.517 -9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.005 -7.097 -11.986 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.233 -9.314 -10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.511 -7.891 -13.758 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.626 -9.008 -13.168 1.00 0.00 H new ATOM 275 N LEU A 16 -5.313 -7.312 -8.875 1.00 0.00 N ATOM 276 CA LEU A 16 -3.946 -7.152 -9.360 1.00 0.00 C ATOM 277 C LEU A 16 -3.049 -8.274 -8.854 1.00 0.00 C ATOM 278 O LEU A 16 -2.561 -9.094 -9.631 1.00 0.00 O ATOM 279 CB LEU A 16 -3.384 -5.797 -8.926 1.00 0.00 C ATOM 280 CG LEU A 16 -4.336 -4.612 -9.105 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.348 -3.739 -7.859 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.947 -3.794 -10.327 1.00 0.00 C ATOM 0 H LEU A 16 -5.618 -6.587 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.968 -7.197 -10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.099 -5.859 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.474 -5.600 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.342 -5.002 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.031 -2.903 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.678 -4.329 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.344 -3.359 -7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.635 -2.956 -10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.932 -3.416 -10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.995 -4.423 -11.216 1.00 0.00 H new ATOM 294 N ILE A 17 -2.836 -8.299 -7.546 1.00 0.00 N ATOM 295 CA ILE A 17 -1.996 -9.317 -6.926 1.00 0.00 C ATOM 296 C ILE A 17 -2.678 -10.678 -6.944 1.00 0.00 C ATOM 297 O ILE A 17 -2.268 -11.582 -7.674 1.00 0.00 O ATOM 298 CB ILE A 17 -1.642 -8.943 -5.473 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.102 -7.513 -5.410 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.627 -9.925 -4.902 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.720 -7.070 -4.015 1.00 0.00 C ATOM 0 H ILE A 17 -3.234 -7.625 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.078 -9.371 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.548 -8.997 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.230 -7.434 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.855 -6.831 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.388 -9.646 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.046 -10.931 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.281 -9.902 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.346 -6.047 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.595 -7.116 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.056 -7.728 -3.624 1.00 0.00 H new ATOM 313 N GLU A 18 -3.723 -10.816 -6.136 1.00 0.00 N ATOM 314 CA GLU A 18 -4.475 -12.068 -6.051 1.00 0.00 C ATOM 315 C GLU A 18 -3.700 -13.143 -5.289 1.00 0.00 C ATOM 316 O GLU A 18 -4.174 -14.270 -5.145 1.00 0.00 O ATOM 317 CB GLU A 18 -4.830 -12.578 -7.450 1.00 0.00 C ATOM 318 CG GLU A 18 -6.187 -13.260 -7.523 1.00 0.00 C ATOM 319 CD GLU A 18 -6.125 -14.611 -8.211 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.614 -15.567 -7.594 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.589 -14.709 -9.367 1.00 0.00 O ATOM 0 H GLU A 18 -4.072 -10.075 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.392 -11.858 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.816 -11.740 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.062 -13.279 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.580 -13.388 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.885 -12.616 -8.058 1.00 0.00 H new ATOM 328 N ASN A 19 -2.508 -12.799 -4.804 1.00 0.00 N ATOM 329 CA ASN A 19 -1.685 -13.748 -4.066 1.00 0.00 C ATOM 330 C ASN A 19 -1.846 -13.555 -2.561 1.00 0.00 C ATOM 331 O ASN A 19 -1.633 -12.461 -2.039 1.00 0.00 O ATOM 332 CB ASN A 19 -0.215 -13.594 -4.460 1.00 0.00 C ATOM 333 CG ASN A 19 0.423 -14.917 -4.837 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.031 -15.551 -5.817 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.413 -15.340 -4.059 1.00 0.00 N ATOM 0 H ASN A 19 -2.094 -11.873 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.018 -14.754 -4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.137 -12.904 -5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.336 -13.151 -3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.881 -16.223 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.705 -14.782 -3.257 1.00 0.00 H new ATOM 342 N ASP A 20 -2.224 -14.626 -1.870 1.00 0.00 N ATOM 343 CA ASP A 20 -2.413 -14.575 -0.426 1.00 0.00 C ATOM 344 C ASP A 20 -1.119 -14.183 0.278 1.00 0.00 C ATOM 345 O ASP A 20 -1.129 -13.422 1.245 1.00 0.00 O ATOM 346 CB ASP A 20 -2.901 -15.928 0.095 1.00 0.00 C ATOM 347 CG ASP A 20 -4.355 -16.189 -0.248 1.00 0.00 C ATOM 348 OD1 ASP A 20 -5.206 -15.342 0.095 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.641 -17.240 -0.859 1.00 0.00 O ATOM 0 H ASP A 20 -2.405 -15.539 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.167 -13.818 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.283 -16.721 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.773 -15.965 1.177 1.00 0.00 H new ATOM 354 N ALA A 21 -0.003 -14.709 -0.217 1.00 0.00 N ATOM 355 CA ALA A 21 1.303 -14.416 0.359 1.00 0.00 C ATOM 356 C ALA A 21 1.677 -12.955 0.149 1.00 0.00 C ATOM 357 O ALA A 21 2.120 -12.274 1.075 1.00 0.00 O ATOM 358 CB ALA A 21 2.362 -15.326 -0.242 1.00 0.00 C ATOM 0 H ALA A 21 0.022 -15.341 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 21 1.250 -14.601 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.332 -15.095 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.108 -16.366 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.406 -15.170 -1.320 1.00 0.00 H new ATOM 364 N GLU A 22 1.491 -12.480 -1.075 1.00 0.00 N ATOM 365 CA GLU A 22 1.805 -11.097 -1.415 1.00 0.00 C ATOM 366 C GLU A 22 0.952 -10.133 -0.599 1.00 0.00 C ATOM 367 O GLU A 22 1.426 -9.085 -0.161 1.00 0.00 O ATOM 368 CB GLU A 22 1.584 -10.853 -2.910 1.00 0.00 C ATOM 369 CG GLU A 22 2.647 -11.489 -3.793 1.00 0.00 C ATOM 370 CD GLU A 22 3.849 -10.588 -3.997 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.768 -10.624 -3.152 1.00 0.00 O ATOM 372 OE2 GLU A 22 3.872 -9.846 -5.001 1.00 0.00 O ATOM 0 H GLU A 22 1.124 -13.032 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 22 2.854 -10.919 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.607 -11.244 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.564 -9.779 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.973 -12.428 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.211 -11.733 -4.762 1.00 0.00 H new ATOM 379 N LYS A 23 -0.308 -10.499 -0.394 1.00 0.00 N ATOM 380 CA LYS A 23 -1.230 -9.671 0.374 1.00 0.00 C ATOM 381 C LYS A 23 -0.784 -9.575 1.827 1.00 0.00 C ATOM 382 O LYS A 23 -0.962 -8.543 2.475 1.00 0.00 O ATOM 383 CB LYS A 23 -2.648 -10.242 0.298 1.00 0.00 C ATOM 384 CG LYS A 23 -3.386 -9.870 -0.978 1.00 0.00 C ATOM 385 CD LYS A 23 -4.776 -10.484 -1.018 1.00 0.00 C ATOM 386 CE LYS A 23 -4.830 -11.684 -1.950 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.786 -12.718 -1.469 1.00 0.00 N ATOM 0 H LYS A 23 -0.715 -11.364 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.229 -8.670 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.598 -11.328 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.220 -9.887 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.464 -8.785 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.813 -10.207 -1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.069 -10.789 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.496 -9.735 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.122 -11.356 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.835 -12.121 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.294 -13.125 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.264 -13.470 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.468 -12.283 -0.816 1.00 0.00 H new ATOM 401 N ASP A 24 -0.197 -10.653 2.334 1.00 0.00 N ATOM 402 CA ASP A 24 0.284 -10.683 3.710 1.00 0.00 C ATOM 403 C ASP A 24 1.539 -9.831 3.852 1.00 0.00 C ATOM 404 O ASP A 24 1.788 -9.242 4.904 1.00 0.00 O ATOM 405 CB ASP A 24 0.572 -12.122 4.143 1.00 0.00 C ATOM 406 CG ASP A 24 -0.620 -12.773 4.816 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.329 -12.075 5.573 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.844 -13.980 4.588 1.00 0.00 O ATOM 0 H ASP A 24 -0.043 -11.517 1.814 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.492 -10.273 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.860 -12.710 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.421 -12.130 4.827 1.00 0.00 H new ATOM 413 N TYR A 25 2.327 -9.771 2.783 1.00 0.00 N ATOM 414 CA TYR A 25 3.556 -8.989 2.779 1.00 0.00 C ATOM 415 C TYR A 25 3.247 -7.496 2.823 1.00 0.00 C ATOM 416 O TYR A 25 3.823 -6.756 3.620 1.00 0.00 O ATOM 417 CB TYR A 25 4.386 -9.314 1.537 1.00 0.00 C ATOM 418 CG TYR A 25 5.865 -9.053 1.708 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.332 -7.795 2.071 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.795 -10.065 1.506 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.684 -7.554 2.227 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.149 -9.831 1.661 1.00 0.00 C ATOM 423 CZ TYR A 25 8.586 -8.574 2.021 1.00 0.00 C ATOM 424 OH TYR A 25 9.934 -8.337 2.176 1.00 0.00 O ATOM 0 H TYR A 25 2.135 -10.256 1.907 1.00 0.00 H new ATOM 0 HA TYR A 25 4.129 -9.250 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.239 -10.362 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.016 -8.723 0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.627 -6.993 2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.455 -11.050 1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.031 -6.571 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.860 -10.628 1.501 1.00 0.00 H new ATOM 0 HH TYR A 25 10.434 -9.160 1.995 1.00 0.00 H new ATOM 434 N LEU A 26 2.331 -7.062 1.962 1.00 0.00 N ATOM 435 CA LEU A 26 1.944 -5.657 1.905 1.00 0.00 C ATOM 436 C LEU A 26 1.245 -5.236 3.195 1.00 0.00 C ATOM 437 O LEU A 26 1.429 -4.118 3.678 1.00 0.00 O ATOM 438 CB LEU A 26 1.035 -5.402 0.697 1.00 0.00 C ATOM 439 CG LEU A 26 -0.436 -5.780 0.888 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.216 -4.612 1.474 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.047 -6.222 -0.433 1.00 0.00 C ATOM 0 H LEU A 26 1.844 -7.662 1.296 1.00 0.00 H new ATOM 0 HA LEU A 26 2.848 -5.057 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.090 -4.344 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.427 -5.958 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.490 -6.614 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.260 -4.899 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.793 -4.340 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.155 -3.759 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.093 -6.487 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.981 -5.408 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.505 -7.088 -0.813 1.00 0.00 H new ATOM 453 N TYR A 27 0.449 -6.144 3.750 1.00 0.00 N ATOM 454 CA TYR A 27 -0.274 -5.872 4.986 1.00 0.00 C ATOM 455 C TYR A 27 0.694 -5.764 6.158 1.00 0.00 C ATOM 456 O TYR A 27 0.480 -4.980 7.085 1.00 0.00 O ATOM 457 CB TYR A 27 -1.305 -6.971 5.254 1.00 0.00 C ATOM 458 CG TYR A 27 -2.729 -6.544 4.973 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.384 -5.651 5.812 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.417 -7.033 3.870 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.685 -5.259 5.560 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.718 -6.645 3.610 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.347 -5.759 4.458 1.00 0.00 C ATOM 464 OH TYR A 27 -6.642 -5.369 4.203 1.00 0.00 O ATOM 0 H TYR A 27 0.289 -7.074 3.363 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.796 -4.921 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.067 -7.839 4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.227 -7.285 6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.868 -5.257 6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.927 -7.728 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.181 -4.565 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.239 -7.034 2.747 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.963 -5.811 3.389 1.00 0.00 H new ATOM 474 N ASP A 28 1.761 -6.555 6.109 1.00 0.00 N ATOM 475 CA ASP A 28 2.768 -6.546 7.164 1.00 0.00 C ATOM 476 C ASP A 28 3.550 -5.237 7.148 1.00 0.00 C ATOM 477 O ASP A 28 3.853 -4.669 8.198 1.00 0.00 O ATOM 478 CB ASP A 28 3.724 -7.728 6.997 1.00 0.00 C ATOM 479 CG ASP A 28 4.467 -8.056 8.276 1.00 0.00 C ATOM 480 OD1 ASP A 28 5.201 -7.179 8.778 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.313 -9.189 8.777 1.00 0.00 O ATOM 0 H ASP A 28 1.951 -7.210 5.350 1.00 0.00 H new ATOM 0 HA ASP A 28 2.259 -6.636 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.162 -8.603 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.443 -7.501 6.210 1.00 0.00 H new ATOM 486 N VAL A 29 3.868 -4.760 5.948 1.00 0.00 N ATOM 487 CA VAL A 29 4.609 -3.515 5.793 1.00 0.00 C ATOM 488 C VAL A 29 3.823 -2.343 6.371 1.00 0.00 C ATOM 489 O VAL A 29 4.353 -1.551 7.152 1.00 0.00 O ATOM 490 CB VAL A 29 4.926 -3.228 4.314 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.867 -2.038 4.191 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.516 -4.459 3.642 1.00 0.00 C ATOM 0 H VAL A 29 3.624 -5.218 5.070 1.00 0.00 H new ATOM 0 HA VAL A 29 5.546 -3.630 6.337 1.00 0.00 H new ATOM 0 HB VAL A 29 3.995 -2.979 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.080 -1.850 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.399 -1.157 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.797 -2.254 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.733 -4.235 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.437 -4.745 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.802 -5.281 3.696 1.00 0.00 H new ATOM 502 N LEU A 30 2.555 -2.241 5.985 1.00 0.00 N ATOM 503 CA LEU A 30 1.696 -1.167 6.468 1.00 0.00 C ATOM 504 C LEU A 30 1.556 -1.231 7.987 1.00 0.00 C ATOM 505 O LEU A 30 1.524 -0.202 8.661 1.00 0.00 O ATOM 506 CB LEU A 30 0.315 -1.254 5.813 1.00 0.00 C ATOM 507 CG LEU A 30 0.206 -0.584 4.442 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.729 -1.371 3.535 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.276 0.851 4.589 1.00 0.00 C ATOM 0 H LEU A 30 2.101 -2.888 5.340 1.00 0.00 H new ATOM 0 HA LEU A 30 2.156 -0.216 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.044 -2.305 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.417 -0.800 6.481 1.00 0.00 H new ATOM 0 HG LEU A 30 1.196 -0.571 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.794 -0.879 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.343 -2.382 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.720 -1.416 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.348 1.313 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.256 0.859 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.430 1.411 5.202 1.00 0.00 H new ATOM 521 N ARG A 31 1.480 -2.449 8.517 1.00 0.00 N ATOM 522 CA ARG A 31 1.348 -2.651 9.955 1.00 0.00 C ATOM 523 C ARG A 31 2.491 -1.973 10.703 1.00 0.00 C ATOM 524 O ARG A 31 2.278 -1.039 11.475 1.00 0.00 O ATOM 525 CB ARG A 31 1.321 -4.147 10.282 1.00 0.00 C ATOM 526 CG ARG A 31 -0.016 -4.624 10.825 1.00 0.00 C ATOM 527 CD ARG A 31 -0.156 -4.319 12.308 1.00 0.00 C ATOM 528 NE ARG A 31 0.529 -5.309 13.137 1.00 0.00 N ATOM 529 CZ ARG A 31 0.432 -5.358 14.464 1.00 0.00 C ATOM 530 NH1 ARG A 31 -0.321 -4.480 15.114 1.00 0.00 N ATOM 531 NH2 ARG A 31 1.088 -6.291 15.141 1.00 0.00 N ATOM 0 H ARG A 31 1.508 -3.310 7.971 1.00 0.00 H new ATOM 0 HA ARG A 31 0.409 -2.201 10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.561 -4.712 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.100 -4.365 11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.825 -4.143 10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.114 -5.697 10.662 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.251 -3.329 12.515 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.213 -4.291 12.574 1.00 0.00 H new ATOM 0 HE ARG A 31 1.115 -6.002 12.672 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.829 -3.763 14.597 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.392 -4.522 16.131 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.666 -6.970 14.645 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.015 -6.330 16.158 1.00 0.00 H new ATOM 545 N MET A 32 3.703 -2.451 10.460 1.00 0.00 N ATOM 546 CA MET A 32 4.887 -1.892 11.102 1.00 0.00 C ATOM 547 C MET A 32 5.053 -0.421 10.734 1.00 0.00 C ATOM 548 O MET A 32 5.559 0.374 11.525 1.00 0.00 O ATOM 549 CB MET A 32 6.134 -2.677 10.692 1.00 0.00 C ATOM 550 CG MET A 32 6.468 -3.822 11.634 1.00 0.00 C ATOM 551 SD MET A 32 8.243 -4.025 11.881 1.00 0.00 S ATOM 552 CE MET A 32 8.359 -3.861 13.660 1.00 0.00 C ATOM 0 H MET A 32 3.894 -3.225 9.823 1.00 0.00 H new ATOM 0 HA MET A 32 4.759 -1.969 12.182 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.989 -3.074 9.687 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.983 -1.996 10.646 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.989 -3.646 12.597 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.053 -4.748 11.236 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.400 -3.964 13.968 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.987 -2.881 13.960 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.761 -4.638 14.137 1.00 0.00 H new ATOM 562 N TYR A 33 4.615 -0.068 9.529 1.00 0.00 N ATOM 563 CA TYR A 33 4.707 1.307 9.052 1.00 0.00 C ATOM 564 C TYR A 33 3.929 2.248 9.967 1.00 0.00 C ATOM 565 O TYR A 33 4.320 3.397 10.171 1.00 0.00 O ATOM 566 CB TYR A 33 4.176 1.404 7.619 1.00 0.00 C ATOM 567 CG TYR A 33 4.048 2.821 7.103 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.115 3.707 7.178 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.859 3.271 6.544 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.001 5.003 6.709 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.737 4.564 6.072 1.00 0.00 C ATOM 572 CZ TYR A 33 3.810 5.426 6.156 1.00 0.00 C ATOM 573 OH TYR A 33 3.691 6.714 5.687 1.00 0.00 O ATOM 0 H TYR A 33 4.192 -0.717 8.865 1.00 0.00 H new ATOM 0 HA TYR A 33 5.755 1.606 9.062 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.840 0.847 6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.200 0.922 7.571 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.049 3.378 7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.016 2.599 6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.840 5.680 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.806 4.898 5.639 1.00 0.00 H new ATOM 0 HH TYR A 33 3.635 6.702 4.709 1.00 0.00 H new ATOM 583 N HIS A 34 2.825 1.753 10.514 1.00 0.00 N ATOM 584 CA HIS A 34 1.990 2.548 11.407 1.00 0.00 C ATOM 585 C HIS A 34 2.664 2.728 12.766 1.00 0.00 C ATOM 586 O HIS A 34 2.603 3.803 13.362 1.00 0.00 O ATOM 587 CB HIS A 34 0.621 1.885 11.584 1.00 0.00 C ATOM 588 CG HIS A 34 -0.518 2.724 11.091 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.818 2.551 11.514 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.545 3.748 10.205 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.597 3.432 10.910 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.848 4.169 10.111 1.00 0.00 N ATOM 0 H HIS A 34 2.487 0.804 10.355 1.00 0.00 H new ATOM 0 HA HIS A 34 1.853 3.532 10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.616 0.933 11.054 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.468 1.663 12.640 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.301 4.157 9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.664 3.532 11.047 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.184 4.929 9.519 1.00 0.00 H new ATOM 601 N GLN A 35 3.305 1.668 13.247 1.00 0.00 N ATOM 602 CA GLN A 35 3.987 1.708 14.535 1.00 0.00 C ATOM 603 C GLN A 35 5.291 2.493 14.438 1.00 0.00 C ATOM 604 O GLN A 35 5.591 3.329 15.290 1.00 0.00 O ATOM 605 CB GLN A 35 4.271 0.289 15.031 1.00 0.00 C ATOM 606 CG GLN A 35 3.054 -0.622 14.996 1.00 0.00 C ATOM 607 CD GLN A 35 2.064 -0.314 16.102 1.00 0.00 C ATOM 608 OE1 GLN A 35 0.881 -0.085 15.846 1.00 0.00 O ATOM 609 NE2 GLN A 35 2.542 -0.308 17.341 1.00 0.00 N ATOM 0 H GLN A 35 3.366 0.771 12.765 1.00 0.00 H new ATOM 0 HA GLN A 35 3.332 2.211 15.247 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.060 -0.149 14.420 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.648 0.339 16.052 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.558 -0.522 14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.378 -1.659 15.082 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.529 -0.503 17.508 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.922 -0.108 18.126 1.00 0.00 H new ATOM 618 N THR A 36 6.062 2.214 13.395 1.00 0.00 N ATOM 619 CA THR A 36 7.337 2.891 13.183 1.00 0.00 C ATOM 620 C THR A 36 7.127 4.282 12.594 1.00 0.00 C ATOM 621 O THR A 36 7.838 5.226 12.938 1.00 0.00 O ATOM 622 CB THR A 36 8.229 2.062 12.258 1.00 0.00 C ATOM 623 OG1 THR A 36 7.625 1.905 10.986 1.00 0.00 O ATOM 624 CG2 THR A 36 8.531 0.681 12.797 1.00 0.00 C ATOM 0 H THR A 36 5.828 1.524 12.682 1.00 0.00 H new ATOM 0 HA THR A 36 7.827 2.999 14.151 1.00 0.00 H new ATOM 0 HB THR A 36 9.164 2.618 12.185 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.838 1.326 11.067 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.168 0.147 12.092 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.044 0.768 13.755 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.599 0.132 12.933 1.00 0.00 H new ATOM 632 N MET A 37 6.148 4.401 11.703 1.00 0.00 N ATOM 633 CA MET A 37 5.847 5.677 11.065 1.00 0.00 C ATOM 634 C MET A 37 7.038 6.170 10.247 1.00 0.00 C ATOM 635 O MET A 37 7.516 7.288 10.436 1.00 0.00 O ATOM 636 CB MET A 37 5.463 6.720 12.116 1.00 0.00 C ATOM 637 CG MET A 37 3.972 6.771 12.406 1.00 0.00 C ATOM 638 SD MET A 37 3.047 7.650 11.132 1.00 0.00 S ATOM 639 CE MET A 37 1.878 6.389 10.629 1.00 0.00 C ATOM 0 H MET A 37 5.550 3.630 11.407 1.00 0.00 H new ATOM 0 HA MET A 37 5.004 5.528 10.390 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.997 6.505 13.041 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.793 7.702 11.778 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.588 5.755 12.493 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.809 7.257 13.368 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.104 6.838 10.006 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.398 5.616 10.062 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.420 5.944 11.512 1.00 0.00 H new ATOM 649 N ASP A 38 7.512 5.325 9.336 1.00 0.00 N ATOM 650 CA ASP A 38 8.647 5.673 8.488 1.00 0.00 C ATOM 651 C ASP A 38 8.314 5.447 7.017 1.00 0.00 C ATOM 652 O ASP A 38 8.368 4.321 6.524 1.00 0.00 O ATOM 653 CB ASP A 38 9.873 4.846 8.880 1.00 0.00 C ATOM 654 CG ASP A 38 11.152 5.661 8.852 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.304 6.495 7.935 1.00 0.00 O ATOM 656 OD2 ASP A 38 12.001 5.463 9.747 1.00 0.00 O ATOM 0 H ASP A 38 7.128 4.395 9.166 1.00 0.00 H new ATOM 0 HA ASP A 38 8.869 6.730 8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.728 4.437 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.970 3.999 8.200 1.00 0.00 H new ATOM 661 N VAL A 39 7.967 6.526 6.322 1.00 0.00 N ATOM 662 CA VAL A 39 7.624 6.447 4.908 1.00 0.00 C ATOM 663 C VAL A 39 8.787 5.902 4.087 1.00 0.00 C ATOM 664 O VAL A 39 8.586 5.247 3.064 1.00 0.00 O ATOM 665 CB VAL A 39 7.218 7.824 4.351 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.670 7.689 2.938 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.203 8.492 5.264 1.00 0.00 C ATOM 0 H VAL A 39 7.916 7.465 6.716 1.00 0.00 H new ATOM 0 HA VAL A 39 6.777 5.766 4.827 1.00 0.00 H new ATOM 0 HB VAL A 39 8.106 8.455 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.389 8.672 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.434 7.258 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.794 7.040 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.929 9.464 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.314 7.866 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.638 8.626 6.255 1.00 0.00 H new ATOM 677 N ALA A 40 10.007 6.176 4.542 1.00 0.00 N ATOM 678 CA ALA A 40 11.202 5.713 3.849 1.00 0.00 C ATOM 679 C ALA A 40 11.291 4.190 3.866 1.00 0.00 C ATOM 680 O ALA A 40 11.679 3.570 2.875 1.00 0.00 O ATOM 681 CB ALA A 40 12.445 6.322 4.480 1.00 0.00 C ATOM 0 H ALA A 40 10.192 6.716 5.387 1.00 0.00 H new ATOM 0 HA ALA A 40 11.138 6.036 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.331 5.968 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.392 7.409 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.503 6.026 5.527 1.00 0.00 H new ATOM 687 N VAL A 41 10.929 3.594 4.996 1.00 0.00 N ATOM 688 CA VAL A 41 10.967 2.145 5.142 1.00 0.00 C ATOM 689 C VAL A 41 9.834 1.482 4.366 1.00 0.00 C ATOM 690 O VAL A 41 10.001 0.401 3.802 1.00 0.00 O ATOM 691 CB VAL A 41 10.873 1.727 6.622 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.096 0.230 6.772 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.872 2.508 7.463 1.00 0.00 C ATOM 0 H VAL A 41 10.606 4.093 5.825 1.00 0.00 H new ATOM 0 HA VAL A 41 11.923 1.813 4.737 1.00 0.00 H new ATOM 0 HB VAL A 41 9.870 1.959 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.026 -0.045 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.338 -0.309 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.085 -0.030 6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.791 2.199 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.882 2.311 7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.660 3.574 7.383 1.00 0.00 H new ATOM 703 N LEU A 42 8.679 2.138 4.346 1.00 0.00 N ATOM 704 CA LEU A 42 7.512 1.615 3.644 1.00 0.00 C ATOM 705 C LEU A 42 7.756 1.558 2.140 1.00 0.00 C ATOM 706 O LEU A 42 7.533 0.528 1.504 1.00 0.00 O ATOM 707 CB LEU A 42 6.284 2.476 3.939 1.00 0.00 C ATOM 708 CG LEU A 42 4.976 1.966 3.333 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.321 0.951 4.254 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.030 3.125 3.056 1.00 0.00 C ATOM 0 H LEU A 42 8.525 3.034 4.808 1.00 0.00 H new ATOM 0 HA LEU A 42 7.333 0.601 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.162 2.550 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.469 3.485 3.570 1.00 0.00 H new ATOM 0 HG LEU A 42 5.204 1.474 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.392 0.600 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.994 0.107 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.106 1.417 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.104 2.744 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.809 3.645 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.498 3.817 2.356 1.00 0.00 H new ATOM 722 N VAL A 43 8.208 2.673 1.572 1.00 0.00 N ATOM 723 CA VAL A 43 8.475 2.748 0.139 1.00 0.00 C ATOM 724 C VAL A 43 9.454 1.660 -0.295 1.00 0.00 C ATOM 725 O VAL A 43 9.254 0.996 -1.311 1.00 0.00 O ATOM 726 CB VAL A 43 9.017 4.142 -0.257 1.00 0.00 C ATOM 727 CG1 VAL A 43 10.537 4.209 -0.170 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.539 4.521 -1.651 1.00 0.00 C ATOM 0 H VAL A 43 8.397 3.536 2.082 1.00 0.00 H new ATOM 0 HA VAL A 43 7.529 2.588 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 43 8.622 4.863 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.874 5.205 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.853 3.999 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.973 3.471 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.929 5.504 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.896 3.784 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.449 4.546 -1.668 1.00 0.00 H new ATOM 738 N GLY A 44 10.512 1.487 0.488 1.00 0.00 N ATOM 739 CA GLY A 44 11.511 0.482 0.177 1.00 0.00 C ATOM 740 C GLY A 44 10.924 -0.915 0.087 1.00 0.00 C ATOM 741 O GLY A 44 11.022 -1.570 -0.950 1.00 0.00 O ATOM 0 H GLY A 44 10.696 2.026 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.991 0.732 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.287 0.498 0.942 1.00 0.00 H new ATOM 745 N ASP A 45 10.312 -1.370 1.177 1.00 0.00 N ATOM 746 CA ASP A 45 9.706 -2.696 1.215 1.00 0.00 C ATOM 747 C ASP A 45 8.597 -2.817 0.175 1.00 0.00 C ATOM 748 O ASP A 45 8.482 -3.833 -0.511 1.00 0.00 O ATOM 749 CB ASP A 45 9.145 -2.983 2.609 1.00 0.00 C ATOM 750 CG ASP A 45 10.151 -3.679 3.506 1.00 0.00 C ATOM 751 OD1 ASP A 45 11.290 -3.181 3.618 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.798 -4.720 4.098 1.00 0.00 O ATOM 0 H ASP A 45 10.223 -0.840 2.044 1.00 0.00 H new ATOM 0 HA ASP A 45 10.479 -3.428 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.836 -2.046 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.253 -3.603 2.518 1.00 0.00 H new ATOM 757 N LEU A 46 7.782 -1.772 0.065 1.00 0.00 N ATOM 758 CA LEU A 46 6.680 -1.756 -0.889 1.00 0.00 C ATOM 759 C LEU A 46 7.182 -2.004 -2.308 1.00 0.00 C ATOM 760 O LEU A 46 6.491 -2.610 -3.125 1.00 0.00 O ATOM 761 CB LEU A 46 5.942 -0.416 -0.825 1.00 0.00 C ATOM 762 CG LEU A 46 4.867 -0.319 0.260 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.144 1.016 0.173 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.879 -1.470 0.136 1.00 0.00 C ATOM 0 H LEU A 46 7.865 -0.924 0.626 1.00 0.00 H new ATOM 0 HA LEU A 46 5.991 -2.557 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.673 0.376 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.477 -0.228 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 46 5.352 -0.386 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.383 1.069 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.860 1.827 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.671 1.110 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.122 -1.385 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.399 -1.434 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.408 -2.417 0.246 1.00 0.00 H new ATOM 776 N LYS A 47 8.391 -1.533 -2.593 1.00 0.00 N ATOM 777 CA LYS A 47 8.982 -1.709 -3.913 1.00 0.00 C ATOM 778 C LYS A 47 9.436 -3.151 -4.113 1.00 0.00 C ATOM 779 O LYS A 47 9.109 -3.782 -5.116 1.00 0.00 O ATOM 780 CB LYS A 47 10.166 -0.758 -4.096 1.00 0.00 C ATOM 781 CG LYS A 47 9.779 0.589 -4.686 1.00 0.00 C ATOM 782 CD LYS A 47 9.907 0.593 -6.202 1.00 0.00 C ATOM 783 CE LYS A 47 10.948 1.597 -6.672 1.00 0.00 C ATOM 784 NZ LYS A 47 10.745 1.982 -8.096 1.00 0.00 N ATOM 0 H LYS A 47 8.979 -1.028 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 47 8.223 -1.477 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.645 -0.598 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.904 -1.231 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.753 0.828 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.414 1.368 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.180 -0.404 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.942 0.832 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.902 2.488 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.944 1.172 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.475 2.667 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.814 1.136 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.805 2.412 -8.209 1.00 0.00 H new ATOM 798 N LEU A 48 10.195 -3.665 -3.151 1.00 0.00 N ATOM 799 CA LEU A 48 10.700 -5.033 -3.216 1.00 0.00 C ATOM 800 C LEU A 48 9.583 -6.025 -3.531 1.00 0.00 C ATOM 801 O LEU A 48 9.786 -6.987 -4.270 1.00 0.00 O ATOM 802 CB LEU A 48 11.372 -5.413 -1.895 1.00 0.00 C ATOM 803 CG LEU A 48 12.491 -4.475 -1.441 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.801 -4.692 0.032 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.736 -4.687 -2.288 1.00 0.00 C ATOM 0 H LEU A 48 10.475 -3.153 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 48 11.433 -5.078 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.611 -5.449 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.779 -6.420 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 48 12.157 -3.446 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.600 -4.017 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.909 -4.492 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.117 -5.723 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.523 -4.012 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.074 -5.718 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.504 -4.483 -3.333 1.00 0.00 H new ATOM 817 N VAL A 49 8.407 -5.788 -2.960 1.00 0.00 N ATOM 818 CA VAL A 49 7.264 -6.669 -3.177 1.00 0.00 C ATOM 819 C VAL A 49 6.418 -6.206 -4.362 1.00 0.00 C ATOM 820 O VAL A 49 6.041 -7.006 -5.219 1.00 0.00 O ATOM 821 CB VAL A 49 6.389 -6.775 -1.905 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.358 -5.656 -1.827 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.714 -8.136 -1.834 1.00 0.00 C ATOM 0 H VAL A 49 8.220 -4.996 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 49 7.660 -7.658 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 49 7.049 -6.666 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.766 -5.769 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.867 -4.692 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.702 -5.704 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.103 -8.193 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.082 -8.275 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.473 -8.918 -1.807 1.00 0.00 H new ATOM 833 N ILE A 50 6.121 -4.912 -4.399 1.00 0.00 N ATOM 834 CA ILE A 50 5.315 -4.344 -5.480 1.00 0.00 C ATOM 835 C ILE A 50 6.188 -3.876 -6.648 1.00 0.00 C ATOM 836 O ILE A 50 5.789 -3.006 -7.422 1.00 0.00 O ATOM 837 CB ILE A 50 4.454 -3.159 -4.989 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.814 -3.482 -3.637 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.381 -2.823 -6.017 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.902 -2.389 -3.120 1.00 0.00 C ATOM 0 H ILE A 50 6.424 -4.236 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 50 4.657 -5.143 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 50 5.101 -2.291 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.244 -4.407 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.602 -3.662 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.782 -1.986 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.854 -2.552 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.738 -3.690 -6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.485 -2.688 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.471 -1.468 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.093 -2.224 -3.831 1.00 0.00 H new ATOM 852 N ASN A 51 7.379 -4.457 -6.775 1.00 0.00 N ATOM 853 CA ASN A 51 8.299 -4.096 -7.852 1.00 0.00 C ATOM 854 C ASN A 51 7.645 -4.286 -9.218 1.00 0.00 C ATOM 855 O ASN A 51 7.786 -3.446 -10.107 1.00 0.00 O ATOM 856 CB ASN A 51 9.575 -4.937 -7.768 1.00 0.00 C ATOM 857 CG ASN A 51 9.303 -6.420 -7.926 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.023 -6.900 -9.024 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.383 -7.157 -6.822 1.00 0.00 N ATOM 0 H ASN A 51 7.730 -5.179 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 51 8.555 -3.043 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.271 -4.614 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.061 -4.760 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.209 -8.161 -6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.618 -6.718 -5.932 1.00 0.00 H new ATOM 866 N GLU A 52 6.936 -5.401 -9.375 1.00 0.00 N ATOM 867 CA GLU A 52 6.258 -5.721 -10.628 1.00 0.00 C ATOM 868 C GLU A 52 5.536 -4.500 -11.201 1.00 0.00 C ATOM 869 O GLU A 52 4.609 -3.973 -10.587 1.00 0.00 O ATOM 870 CB GLU A 52 5.259 -6.858 -10.408 1.00 0.00 C ATOM 871 CG GLU A 52 5.907 -8.232 -10.349 1.00 0.00 C ATOM 872 CD GLU A 52 5.097 -9.291 -11.072 1.00 0.00 C ATOM 873 OE1 GLU A 52 3.925 -9.500 -10.697 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.636 -9.911 -12.013 1.00 0.00 O ATOM 0 H GLU A 52 6.816 -6.102 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 52 7.015 -6.035 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.717 -6.680 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.524 -6.846 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.903 -8.179 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.034 -8.525 -9.307 1.00 0.00 H new ATOM 881 N PRO A 53 5.956 -4.034 -12.391 1.00 0.00 N ATOM 882 CA PRO A 53 5.351 -2.873 -13.050 1.00 0.00 C ATOM 883 C PRO A 53 3.827 -2.902 -12.999 1.00 0.00 C ATOM 884 O PRO A 53 3.191 -1.922 -12.608 1.00 0.00 O ATOM 885 CB PRO A 53 5.841 -3.002 -14.491 1.00 0.00 C ATOM 886 CG PRO A 53 7.158 -3.693 -14.380 1.00 0.00 C ATOM 887 CD PRO A 53 7.061 -4.606 -13.184 1.00 0.00 C ATOM 0 HA PRO A 53 5.629 -1.936 -12.568 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.141 -3.577 -15.098 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.944 -2.025 -14.964 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.376 -4.260 -15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.965 -2.972 -14.253 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.850 -5.633 -13.481 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.992 -4.623 -12.618 1.00 0.00 H new ATOM 895 N SER A 54 3.244 -4.029 -13.391 1.00 0.00 N ATOM 896 CA SER A 54 1.793 -4.185 -13.383 1.00 0.00 C ATOM 897 C SER A 54 1.229 -3.999 -11.976 1.00 0.00 C ATOM 898 O SER A 54 0.039 -3.734 -11.803 1.00 0.00 O ATOM 899 CB SER A 54 1.404 -5.562 -13.922 1.00 0.00 C ATOM 900 OG SER A 54 2.383 -6.052 -14.824 1.00 0.00 O ATOM 0 H SER A 54 3.754 -4.849 -13.719 1.00 0.00 H new ATOM 0 HA SER A 54 1.369 -3.416 -14.028 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.286 -6.260 -13.093 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.439 -5.500 -14.426 1.00 0.00 H new ATOM 0 HG SER A 54 2.112 -6.934 -15.153 1.00 0.00 H new ATOM 906 N ARG A 55 2.092 -4.142 -10.974 1.00 0.00 N ATOM 907 CA ARG A 55 1.687 -3.992 -9.580 1.00 0.00 C ATOM 908 C ARG A 55 1.752 -2.530 -9.138 1.00 0.00 C ATOM 909 O ARG A 55 1.128 -2.146 -8.148 1.00 0.00 O ATOM 910 CB ARG A 55 2.586 -4.846 -8.683 1.00 0.00 C ATOM 911 CG ARG A 55 1.830 -5.611 -7.609 1.00 0.00 C ATOM 912 CD ARG A 55 2.761 -6.498 -6.796 1.00 0.00 C ATOM 913 NE ARG A 55 2.221 -7.845 -6.624 1.00 0.00 N ATOM 914 CZ ARG A 55 2.097 -8.728 -7.614 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.472 -8.408 -8.847 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.599 -9.932 -7.371 1.00 0.00 N ATOM 0 H ARG A 55 3.080 -4.362 -11.103 1.00 0.00 H new ATOM 0 HA ARG A 55 0.654 -4.328 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.134 -5.555 -9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.325 -4.202 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.326 -4.907 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.056 -6.223 -8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.730 -6.556 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.929 -6.047 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 55 1.921 -8.126 -5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.857 -7.483 -9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.375 -9.087 -9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.310 -10.183 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.504 -10.607 -8.130 1.00 0.00 H new ATOM 930 N LEU A 56 2.512 -1.720 -9.872 1.00 0.00 N ATOM 931 CA LEU A 56 2.662 -0.302 -9.548 1.00 0.00 C ATOM 932 C LEU A 56 1.304 0.380 -9.365 1.00 0.00 C ATOM 933 O LEU A 56 1.087 1.085 -8.380 1.00 0.00 O ATOM 934 CB LEU A 56 3.464 0.412 -10.638 1.00 0.00 C ATOM 935 CG LEU A 56 4.980 0.235 -10.548 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.626 0.462 -11.906 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.566 1.181 -9.512 1.00 0.00 C ATOM 0 H LEU A 56 3.034 -2.021 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 56 3.202 -0.235 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.129 0.051 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.235 1.477 -10.597 1.00 0.00 H new ATOM 0 HG LEU A 56 5.189 -0.788 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.705 0.332 -11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.228 -0.257 -12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.408 1.474 -12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.646 1.041 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.346 2.211 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.127 0.970 -8.537 1.00 0.00 H new ATOM 949 N PRO A 57 0.366 0.186 -10.314 1.00 0.00 N ATOM 950 CA PRO A 57 -0.967 0.792 -10.241 1.00 0.00 C ATOM 951 C PRO A 57 -1.595 0.667 -8.854 1.00 0.00 C ATOM 952 O PRO A 57 -2.405 1.503 -8.452 1.00 0.00 O ATOM 953 CB PRO A 57 -1.769 -0.009 -11.263 1.00 0.00 C ATOM 954 CG PRO A 57 -0.764 -0.437 -12.275 1.00 0.00 C ATOM 955 CD PRO A 57 0.529 -0.636 -11.529 1.00 0.00 C ATOM 0 HA PRO A 57 -0.938 1.863 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.256 -0.867 -10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.554 0.598 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.075 -1.359 -12.766 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.651 0.317 -13.054 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.691 -1.685 -11.283 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.386 -0.311 -12.120 1.00 0.00 H new ATOM 963 N LEU A 58 -1.218 -0.382 -8.131 1.00 0.00 N ATOM 964 CA LEU A 58 -1.745 -0.617 -6.792 1.00 0.00 C ATOM 965 C LEU A 58 -1.408 0.542 -5.857 1.00 0.00 C ATOM 966 O LEU A 58 -2.151 0.829 -4.919 1.00 0.00 O ATOM 967 CB LEU A 58 -1.188 -1.924 -6.223 1.00 0.00 C ATOM 968 CG LEU A 58 -2.170 -2.732 -5.373 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.798 -4.206 -5.383 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.205 -2.199 -3.949 1.00 0.00 C ATOM 0 H LEU A 58 -0.549 -1.083 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.830 -0.693 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.850 -2.547 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.311 -1.694 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.166 -2.627 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.508 -4.765 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.825 -4.581 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.794 -4.331 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.909 -2.785 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.211 -2.273 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.521 -1.156 -3.959 1.00 0.00 H new ATOM 982 N PHE A 59 -0.282 1.201 -6.117 1.00 0.00 N ATOM 983 CA PHE A 59 0.158 2.328 -5.297 1.00 0.00 C ATOM 984 C PHE A 59 -0.965 3.346 -5.107 1.00 0.00 C ATOM 985 O PHE A 59 -1.050 4.007 -4.068 1.00 0.00 O ATOM 986 CB PHE A 59 1.371 3.006 -5.934 1.00 0.00 C ATOM 987 CG PHE A 59 2.680 2.364 -5.569 1.00 0.00 C ATOM 988 CD1 PHE A 59 2.967 1.070 -5.969 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.621 3.056 -4.824 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.168 0.475 -5.634 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.826 2.467 -4.485 1.00 0.00 C ATOM 992 CZ PHE A 59 5.098 1.175 -4.892 1.00 0.00 C ATOM 0 H PHE A 59 0.344 0.974 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 59 0.437 1.939 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.258 2.990 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.392 4.053 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.243 0.519 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.412 4.066 -4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.379 -0.535 -5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.552 3.016 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.038 0.713 -4.630 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.825 3.467 -6.114 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.943 4.403 -6.058 1.00 0.00 C ATOM 1004 C ASP A 60 -3.777 4.178 -4.802 1.00 0.00 C ATOM 1005 O ASP A 60 -4.114 5.119 -4.092 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.820 4.259 -7.301 1.00 0.00 C ATOM 1007 CG ASP A 60 -4.595 5.525 -7.612 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -5.521 5.859 -6.845 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -4.274 6.183 -8.625 1.00 0.00 O ATOM 0 H ASP A 60 -1.769 2.929 -6.979 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.537 5.414 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.195 4.000 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.519 3.435 -7.156 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.107 2.921 -4.541 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.898 2.560 -3.370 1.00 0.00 C ATOM 1016 C ALA A 61 -4.087 2.686 -2.078 1.00 0.00 C ATOM 1017 O ALA A 61 -4.652 2.758 -0.987 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.436 1.145 -3.521 1.00 0.00 C ATOM 0 H ALA A 61 -3.838 2.130 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.733 3.257 -3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.025 0.884 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.065 1.088 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.604 0.448 -3.620 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.761 2.692 -2.205 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.877 2.784 -1.043 1.00 0.00 C ATOM 1026 C ILE A 62 -1.865 4.181 -0.425 1.00 0.00 C ATOM 1027 O ILE A 62 -1.889 4.320 0.798 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.433 2.388 -1.407 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.420 1.059 -2.166 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.424 2.296 -0.153 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -1.074 -0.076 -1.407 1.00 0.00 C ATOM 0 H ILE A 62 -2.275 2.634 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.277 2.086 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.014 3.158 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.931 1.189 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.612 0.788 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.441 2.015 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.437 3.263 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.008 1.544 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.029 -0.987 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.549 -0.233 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.116 0.174 -1.205 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.806 5.210 -1.262 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.767 6.590 -0.758 1.00 0.00 C ATOM 1045 C ARG A 63 -2.970 6.891 0.140 1.00 0.00 C ATOM 1046 O ARG A 63 -2.801 7.358 1.267 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.691 7.628 -1.896 1.00 0.00 C ATOM 1048 CG ARG A 63 -1.915 7.075 -3.297 1.00 0.00 C ATOM 1049 CD ARG A 63 -2.569 8.108 -4.200 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.929 9.416 -4.088 1.00 0.00 N ATOM 1051 CZ ARG A 63 -2.533 10.568 -4.375 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -3.793 10.580 -4.796 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -1.877 11.712 -4.241 1.00 0.00 N ATOM 0 H ARG A 63 -1.784 5.125 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.855 6.673 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.432 8.405 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.712 8.107 -1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.961 6.766 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.543 6.186 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.520 7.768 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.625 8.198 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.960 9.449 -3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.304 9.703 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.249 11.466 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.909 11.710 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.340 12.594 -4.461 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.202 6.637 -0.339 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.425 6.887 0.431 1.00 0.00 C ATOM 1069 C PRO A 64 -5.285 6.525 1.909 1.00 0.00 C ATOM 1070 O PRO A 64 -5.578 7.335 2.787 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.439 5.973 -0.248 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.008 5.932 -1.674 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.507 6.086 -1.674 1.00 0.00 C ATOM 0 HA PRO A 64 -5.698 7.942 0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.436 4.978 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.452 6.363 -0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.301 4.992 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.480 6.732 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.008 5.130 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.175 6.756 -2.467 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.837 5.303 2.176 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.662 4.835 3.546 1.00 0.00 C ATOM 1083 C LEU A 65 -3.568 5.623 4.258 1.00 0.00 C ATOM 1084 O LEU A 65 -3.614 5.811 5.474 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.321 3.344 3.559 1.00 0.00 C ATOM 1086 CG LEU A 65 -5.411 2.427 3.002 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.913 0.994 2.918 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -6.665 2.508 3.862 1.00 0.00 C ATOM 0 H LEU A 65 -4.588 4.619 1.462 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.601 4.992 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.408 3.190 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.105 3.045 4.585 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.661 2.762 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.703 0.357 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.044 0.949 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.634 0.647 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.431 1.850 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.428 2.199 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.035 3.533 3.870 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.582 6.080 3.494 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.473 6.846 4.051 1.00 0.00 C ATOM 1102 C ILE A 66 -1.929 8.242 4.484 1.00 0.00 C ATOM 1103 O ILE A 66 -2.883 8.791 3.932 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.306 6.951 3.034 1.00 0.00 C ATOM 1105 CG1 ILE A 66 1.013 6.538 3.692 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.195 8.354 2.447 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.552 5.219 3.183 1.00 0.00 C ATOM 0 H ILE A 66 -2.528 5.933 2.486 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.115 6.315 4.933 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.520 6.267 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.756 7.317 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.867 6.471 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.633 8.388 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.122 8.608 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.017 9.071 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.488 4.988 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.827 4.429 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.730 5.288 2.110 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.247 8.835 5.479 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.583 10.170 5.985 1.00 0.00 C ATOM 1121 C PRO A 67 -1.646 11.213 4.872 1.00 0.00 C ATOM 1122 O PRO A 67 -1.057 11.034 3.806 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.440 10.489 6.951 1.00 0.00 C ATOM 1124 CG PRO A 67 0.079 9.159 7.376 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.095 8.249 6.191 1.00 0.00 C ATOM 0 HA PRO A 67 -2.568 10.190 6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.336 11.080 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.793 11.067 7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.127 9.224 7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.469 8.784 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.797 8.229 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.292 7.222 6.498 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.366 12.302 5.129 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.512 13.378 4.145 1.00 0.00 C ATOM 1135 C LEU A 68 -1.153 13.805 3.598 1.00 0.00 C ATOM 1136 O LEU A 68 -0.818 13.516 2.449 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.228 14.601 4.746 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.966 14.374 6.069 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.000 14.446 7.243 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.082 15.396 6.230 1.00 0.00 C ATOM 0 H LEU A 68 -2.858 12.465 6.008 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.120 12.984 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.490 15.389 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.945 14.972 4.014 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.406 13.377 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.545 14.282 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.234 13.679 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.529 15.429 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.599 15.224 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.659 16.401 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.788 15.296 5.406 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.372 14.492 4.426 1.00 0.00 N ATOM 1153 CA LYS A 69 0.951 14.957 4.024 1.00 0.00 C ATOM 1154 C LYS A 69 1.798 13.800 3.505 1.00 0.00 C ATOM 1155 O LYS A 69 2.660 13.982 2.644 1.00 0.00 O ATOM 1156 CB LYS A 69 1.657 15.634 5.199 1.00 0.00 C ATOM 1157 CG LYS A 69 1.698 14.780 6.457 1.00 0.00 C ATOM 1158 CD LYS A 69 1.064 15.494 7.641 1.00 0.00 C ATOM 1159 CE LYS A 69 1.195 14.680 8.918 1.00 0.00 C ATOM 1160 NZ LYS A 69 -0.023 14.779 9.768 1.00 0.00 N ATOM 0 H LYS A 69 -0.633 14.739 5.381 1.00 0.00 H new ATOM 0 HA LYS A 69 0.825 15.682 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.677 15.883 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.152 16.573 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.176 13.840 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.732 14.530 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.538 16.466 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.010 15.680 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.377 13.635 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.061 15.027 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.107 14.210 10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.183 15.772 10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.845 14.424 9.239 1.00 0.00 H new ATOM 1174 N HIS A 70 1.543 12.608 4.033 1.00 0.00 N ATOM 1175 CA HIS A 70 2.278 11.419 3.622 1.00 0.00 C ATOM 1176 C HIS A 70 1.999 11.086 2.161 1.00 0.00 C ATOM 1177 O HIS A 70 2.856 10.544 1.465 1.00 0.00 O ATOM 1178 CB HIS A 70 1.915 10.233 4.514 1.00 0.00 C ATOM 1179 CG HIS A 70 2.583 10.270 5.853 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.134 9.157 6.452 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.789 11.298 6.710 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.648 9.498 7.620 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.454 10.791 7.800 1.00 0.00 N ATOM 0 H HIS A 70 0.833 12.440 4.746 1.00 0.00 H new ATOM 0 HA HIS A 70 3.343 11.625 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.834 10.212 4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.188 9.308 4.005 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.143 8.217 6.055 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.487 12.325 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.143 8.832 8.311 1.00 0.00 H new ATOM 1192 N GLN A 71 0.797 11.418 1.700 1.00 0.00 N ATOM 1193 CA GLN A 71 0.415 11.156 0.317 1.00 0.00 C ATOM 1194 C GLN A 71 1.304 11.938 -0.641 1.00 0.00 C ATOM 1195 O GLN A 71 1.865 11.381 -1.584 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.052 11.528 0.088 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.034 10.563 0.733 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.477 10.991 0.553 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.951 11.911 1.220 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.184 10.326 -0.352 1.00 0.00 N ATOM 0 H GLN A 71 0.074 11.867 2.261 1.00 0.00 H new ATOM 0 HA GLN A 71 0.543 10.091 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.229 12.529 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.245 11.567 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.897 9.571 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.813 10.483 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.751 9.570 -0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.160 10.571 -0.517 1.00 0.00 H new ATOM 1209 N VAL A 72 1.428 13.234 -0.384 1.00 0.00 N ATOM 1210 CA VAL A 72 2.251 14.104 -1.214 1.00 0.00 C ATOM 1211 C VAL A 72 3.697 13.623 -1.238 1.00 0.00 C ATOM 1212 O VAL A 72 4.307 13.509 -2.302 1.00 0.00 O ATOM 1213 CB VAL A 72 2.214 15.561 -0.710 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.962 16.478 -1.667 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.776 16.028 -0.528 1.00 0.00 C ATOM 0 H VAL A 72 0.968 13.706 0.394 1.00 0.00 H new ATOM 0 HA VAL A 72 1.839 14.067 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 72 2.711 15.602 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.925 17.502 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.001 16.157 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.497 16.433 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.770 17.058 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.251 15.971 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.276 15.390 0.200 1.00 0.00 H new ATOM 1225 N GLU A 73 4.242 13.337 -0.060 1.00 0.00 N ATOM 1226 CA GLU A 73 5.617 12.865 0.047 1.00 0.00 C ATOM 1227 C GLU A 73 5.760 11.480 -0.572 1.00 0.00 C ATOM 1228 O GLU A 73 6.771 11.178 -1.208 1.00 0.00 O ATOM 1229 CB GLU A 73 6.065 12.838 1.509 1.00 0.00 C ATOM 1230 CG GLU A 73 7.573 12.908 1.685 1.00 0.00 C ATOM 1231 CD GLU A 73 7.982 13.735 2.888 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.974 14.979 2.784 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.310 13.138 3.934 1.00 0.00 O ATOM 0 H GLU A 73 3.754 13.424 0.831 1.00 0.00 H new ATOM 0 HA GLU A 73 6.256 13.558 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.607 13.675 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.695 11.926 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.970 11.898 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.020 13.334 0.787 1.00 0.00 H new ATOM 1240 N TYR A 74 4.740 10.645 -0.396 1.00 0.00 N ATOM 1241 CA TYR A 74 4.761 9.300 -0.958 1.00 0.00 C ATOM 1242 C TYR A 74 5.039 9.371 -2.453 1.00 0.00 C ATOM 1243 O TYR A 74 5.845 8.610 -2.988 1.00 0.00 O ATOM 1244 CB TYR A 74 3.431 8.590 -0.704 1.00 0.00 C ATOM 1245 CG TYR A 74 3.446 7.120 -1.059 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.226 6.221 -0.342 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.682 6.632 -2.111 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.244 4.877 -0.664 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.694 5.290 -2.439 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.477 4.416 -1.713 1.00 0.00 C ATOM 1251 OH TYR A 74 3.490 3.079 -2.035 1.00 0.00 O ATOM 0 H TYR A 74 3.895 10.874 0.127 1.00 0.00 H new ATOM 0 HA TYR A 74 5.553 8.730 -0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.168 8.697 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.650 9.085 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.828 6.578 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.068 7.313 -2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.856 4.191 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.093 4.927 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 74 4.106 2.928 -2.782 1.00 0.00 H new ATOM 1261 N ASP A 75 4.374 10.311 -3.113 1.00 0.00 N ATOM 1262 CA ASP A 75 4.551 10.516 -4.542 1.00 0.00 C ATOM 1263 C ASP A 75 5.903 11.163 -4.825 1.00 0.00 C ATOM 1264 O ASP A 75 6.506 10.929 -5.872 1.00 0.00 O ATOM 1265 CB ASP A 75 3.425 11.388 -5.101 1.00 0.00 C ATOM 1266 CG ASP A 75 2.170 10.591 -5.396 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.282 9.514 -6.017 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.073 11.047 -5.008 1.00 0.00 O ATOM 0 H ASP A 75 3.704 10.945 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 75 4.518 9.544 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.191 12.177 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.766 11.875 -6.014 1.00 0.00 H new ATOM 1273 N GLN A 76 6.374 11.982 -3.884 1.00 0.00 N ATOM 1274 CA GLN A 76 7.655 12.661 -4.037 1.00 0.00 C ATOM 1275 C GLN A 76 8.805 11.661 -4.049 1.00 0.00 C ATOM 1276 O GLN A 76 9.816 11.872 -4.718 1.00 0.00 O ATOM 1277 CB GLN A 76 7.856 13.674 -2.908 1.00 0.00 C ATOM 1278 CG GLN A 76 6.903 14.856 -2.975 1.00 0.00 C ATOM 1279 CD GLN A 76 7.475 16.021 -3.759 1.00 0.00 C ATOM 1280 OE1 GLN A 76 7.440 16.033 -4.989 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.006 17.009 -3.048 1.00 0.00 N ATOM 0 H GLN A 76 5.887 12.189 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 76 7.647 13.187 -4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.728 13.169 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.881 14.042 -2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.967 14.538 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.666 15.185 -1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.014 16.957 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.406 17.819 -3.521 1.00 0.00 H new ATOM 1290 N LEU A 77 8.645 10.573 -3.303 1.00 0.00 N ATOM 1291 CA LEU A 77 9.673 9.541 -3.227 1.00 0.00 C ATOM 1292 C LEU A 77 9.538 8.551 -4.379 1.00 0.00 C ATOM 1293 O LEU A 77 10.536 8.049 -4.898 1.00 0.00 O ATOM 1294 CB LEU A 77 9.584 8.802 -1.889 1.00 0.00 C ATOM 1295 CG LEU A 77 9.798 9.674 -0.653 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.530 8.877 0.615 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.208 10.242 -0.639 1.00 0.00 C ATOM 0 H LEU A 77 7.814 10.383 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 77 10.646 10.026 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.604 8.330 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.324 8.002 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 77 9.094 10.505 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.687 9.514 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.501 8.519 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.210 8.026 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.342 10.860 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.929 9.425 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.365 10.848 -1.531 1.00 0.00 H new ATOM 1309 N THR A 78 8.300 8.273 -4.771 1.00 0.00 N ATOM 1310 CA THR A 78 8.036 7.341 -5.860 1.00 0.00 C ATOM 1311 C THR A 78 7.963 8.075 -7.199 1.00 0.00 C ATOM 1312 O THR A 78 7.200 9.029 -7.350 1.00 0.00 O ATOM 1313 CB THR A 78 6.727 6.589 -5.609 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.621 7.470 -5.678 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.684 5.902 -4.261 1.00 0.00 C ATOM 0 H THR A 78 7.464 8.679 -4.351 1.00 0.00 H new ATOM 0 HA THR A 78 8.858 6.626 -5.900 1.00 0.00 H new ATOM 0 HB THR A 78 6.674 5.830 -6.389 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.889 8.297 -6.131 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.730 5.387 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.497 5.179 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.794 6.644 -3.471 1.00 0.00 H new