USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 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 1 SER N :NH3+ -141:sc= 0.337 (180deg=0.0501) USER MOD Single : A 1 SER OG : rot 180:sc= 0.168 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.26) USER MOD Single : A 14 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-4!) USER MOD Single : A 15 GLN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 170:sc=-0.00644 (180deg=-0.214) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -28.253 4.569 -5.930 1.00 0.00 N ATOM 2 CA SER A 1 -28.244 3.849 -4.618 1.00 0.00 C ATOM 3 C SER A 1 -27.687 2.430 -4.793 1.00 0.00 C ATOM 4 O SER A 1 -27.915 1.784 -5.799 1.00 0.00 O ATOM 5 CB SER A 1 -29.710 3.801 -4.168 1.00 0.00 C ATOM 6 OG SER A 1 -30.545 3.500 -5.282 1.00 0.00 O ATOM 0 H1 SER A 1 -27.979 5.561 -5.783 1.00 0.00 H new ATOM 0 H2 SER A 1 -27.579 4.116 -6.579 1.00 0.00 H new ATOM 0 H3 SER A 1 -29.208 4.531 -6.340 1.00 0.00 H new ATOM 0 HA SER A 1 -27.613 4.349 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 1 -29.837 3.047 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 1 -29.998 4.758 -3.733 1.00 0.00 H new ATOM 0 HG SER A 1 -31.480 3.468 -4.991 1.00 0.00 H new ATOM 11 N ASP A 2 -26.957 1.946 -3.819 1.00 0.00 N ATOM 12 CA ASP A 2 -26.376 0.570 -3.915 1.00 0.00 C ATOM 13 C ASP A 2 -26.393 -0.113 -2.541 1.00 0.00 C ATOM 14 O ASP A 2 -26.338 0.537 -1.513 1.00 0.00 O ATOM 15 CB ASP A 2 -24.935 0.772 -4.411 1.00 0.00 C ATOM 16 CG ASP A 2 -24.109 1.523 -3.358 1.00 0.00 C ATOM 17 OD1 ASP A 2 -24.213 2.738 -3.307 1.00 0.00 O ATOM 18 OD2 ASP A 2 -23.385 0.869 -2.624 1.00 0.00 O ATOM 0 H ASP A 2 -26.737 2.446 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 2 -26.945 -0.071 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -24.477 -0.194 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.940 1.332 -5.346 1.00 0.00 H new ATOM 23 N LEU A 3 -26.469 -1.421 -2.520 1.00 0.00 N ATOM 24 CA LEU A 3 -26.488 -2.157 -1.217 1.00 0.00 C ATOM 25 C LEU A 3 -25.716 -3.484 -1.338 1.00 0.00 C ATOM 26 O LEU A 3 -26.294 -4.553 -1.248 1.00 0.00 O ATOM 27 CB LEU A 3 -27.969 -2.408 -0.933 1.00 0.00 C ATOM 28 CG LEU A 3 -28.196 -2.485 0.581 1.00 0.00 C ATOM 29 CD1 LEU A 3 -29.318 -1.524 0.981 1.00 0.00 C ATOM 30 CD2 LEU A 3 -28.590 -3.914 0.967 1.00 0.00 C ATOM 0 H LEU A 3 -26.519 -2.012 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 3 -26.010 -1.595 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -28.573 -1.608 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -28.288 -3.336 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 3 -27.278 -2.207 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -29.478 -1.580 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -29.040 -0.506 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -30.236 -1.801 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -28.751 -3.969 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -29.508 -4.191 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -27.792 -4.600 0.684 1.00 0.00 H new ATOM 42 N PRO A 4 -24.427 -3.363 -1.540 1.00 0.00 N ATOM 43 CA PRO A 4 -23.551 -4.543 -1.676 1.00 0.00 C ATOM 44 C PRO A 4 -23.023 -4.968 -0.295 1.00 0.00 C ATOM 45 O PRO A 4 -23.667 -4.745 0.713 1.00 0.00 O ATOM 46 CB PRO A 4 -22.431 -4.022 -2.581 1.00 0.00 C ATOM 47 CG PRO A 4 -22.400 -2.532 -2.384 1.00 0.00 C ATOM 48 CD PRO A 4 -23.663 -2.123 -1.660 1.00 0.00 C ATOM 0 HA PRO A 4 -24.043 -5.426 -2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.474 -4.471 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -22.623 -4.274 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.521 -2.243 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.332 -2.023 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.441 -1.696 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -24.215 -1.368 -2.219 1.00 0.00 H new ATOM 56 N ALA A 5 -21.860 -5.573 -0.239 1.00 0.00 N ATOM 57 CA ALA A 5 -21.294 -6.005 1.080 1.00 0.00 C ATOM 58 C ALA A 5 -21.057 -4.791 1.994 1.00 0.00 C ATOM 59 O ALA A 5 -21.174 -4.889 3.201 1.00 0.00 O ATOM 60 CB ALA A 5 -19.966 -6.688 0.744 1.00 0.00 C ATOM 0 H ALA A 5 -21.278 -5.786 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 5 -21.973 -6.671 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.491 -7.032 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.150 -7.540 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.309 -5.979 0.240 1.00 0.00 H new ATOM 66 N LEU A 6 -20.723 -3.651 1.423 1.00 0.00 N ATOM 67 CA LEU A 6 -20.473 -2.415 2.240 1.00 0.00 C ATOM 68 C LEU A 6 -19.344 -2.641 3.263 1.00 0.00 C ATOM 69 O LEU A 6 -19.299 -2.003 4.300 1.00 0.00 O ATOM 70 CB LEU A 6 -21.801 -2.127 2.950 1.00 0.00 C ATOM 71 CG LEU A 6 -21.869 -0.646 3.335 1.00 0.00 C ATOM 72 CD1 LEU A 6 -22.651 0.127 2.270 1.00 0.00 C ATOM 73 CD2 LEU A 6 -22.575 -0.504 4.686 1.00 0.00 C ATOM 0 H LEU A 6 -20.612 -3.525 0.417 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.153 -1.580 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.636 -2.382 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.891 -2.749 3.841 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.858 -0.244 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -22.698 1.180 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -22.151 0.026 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -23.662 -0.275 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -22.624 0.549 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -23.585 -0.908 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -22.019 -1.052 5.446 1.00 0.00 H new ATOM 85 N SER A 7 -18.429 -3.537 2.981 1.00 0.00 N ATOM 86 CA SER A 7 -17.308 -3.795 3.937 1.00 0.00 C ATOM 87 C SER A 7 -15.978 -3.324 3.340 1.00 0.00 C ATOM 88 O SER A 7 -15.194 -2.665 3.997 1.00 0.00 O ATOM 89 CB SER A 7 -17.304 -5.310 4.151 1.00 0.00 C ATOM 90 OG SER A 7 -18.287 -5.649 5.122 1.00 0.00 O ATOM 0 H SER A 7 -18.411 -4.100 2.131 1.00 0.00 H new ATOM 0 HA SER A 7 -17.436 -3.256 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.512 -5.822 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.319 -5.640 4.483 1.00 0.00 H new ATOM 0 HG SER A 7 -18.289 -6.619 5.261 1.00 0.00 H new ATOM 96 N THR A 8 -15.724 -3.653 2.102 1.00 0.00 N ATOM 97 CA THR A 8 -14.447 -3.225 1.450 1.00 0.00 C ATOM 98 C THR A 8 -14.737 -2.226 0.320 1.00 0.00 C ATOM 99 O THR A 8 -14.227 -2.352 -0.779 1.00 0.00 O ATOM 100 CB THR A 8 -13.824 -4.514 0.891 1.00 0.00 C ATOM 101 OG1 THR A 8 -14.736 -5.136 -0.005 1.00 0.00 O ATOM 102 CG2 THR A 8 -13.495 -5.474 2.037 1.00 0.00 C ATOM 0 H THR A 8 -16.347 -4.202 1.510 1.00 0.00 H new ATOM 0 HA THR A 8 -13.776 -2.725 2.149 1.00 0.00 H new ATOM 0 HB THR A 8 -12.906 -4.265 0.359 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.336 -5.957 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.054 -6.385 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.788 -4.999 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.408 -5.722 2.578 1.00 0.00 H new ATOM 110 N GLY A 9 -15.550 -1.232 0.584 1.00 0.00 N ATOM 111 CA GLY A 9 -15.870 -0.221 -0.468 1.00 0.00 C ATOM 112 C GLY A 9 -14.946 0.985 -0.298 1.00 0.00 C ATOM 113 O GLY A 9 -14.010 1.172 -1.051 1.00 0.00 O ATOM 0 H GLY A 9 -16.005 -1.078 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.742 -0.656 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.912 0.089 -0.388 1.00 0.00 H new ATOM 117 N LEU A 10 -15.197 1.797 0.699 1.00 0.00 N ATOM 118 CA LEU A 10 -14.329 2.991 0.938 1.00 0.00 C ATOM 119 C LEU A 10 -13.146 2.605 1.834 1.00 0.00 C ATOM 120 O LEU A 10 -12.033 3.054 1.633 1.00 0.00 O ATOM 121 CB LEU A 10 -15.230 4.011 1.641 1.00 0.00 C ATOM 122 CG LEU A 10 -14.624 5.412 1.508 1.00 0.00 C ATOM 123 CD1 LEU A 10 -14.897 5.961 0.106 1.00 0.00 C ATOM 124 CD2 LEU A 10 -15.257 6.341 2.548 1.00 0.00 C ATOM 0 H LEU A 10 -15.967 1.684 1.359 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.914 3.393 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.228 3.993 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.339 3.750 2.694 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.548 5.356 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.465 6.957 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.448 5.301 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.973 6.016 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.827 7.338 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.333 6.393 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.062 5.954 3.548 1.00 0.00 H new ATOM 136 N LEU A 11 -13.382 1.768 2.821 1.00 0.00 N ATOM 137 CA LEU A 11 -12.277 1.339 3.737 1.00 0.00 C ATOM 138 C LEU A 11 -11.165 0.645 2.940 1.00 0.00 C ATOM 139 O LEU A 11 -9.998 0.961 3.087 1.00 0.00 O ATOM 140 CB LEU A 11 -12.929 0.355 4.718 1.00 0.00 C ATOM 141 CG LEU A 11 -12.164 0.367 6.045 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.149 0.210 7.206 1.00 0.00 C ATOM 143 CD2 LEU A 11 -11.161 -0.791 6.069 1.00 0.00 C ATOM 0 H LEU A 11 -14.295 1.364 3.030 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.819 2.184 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.971 0.629 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.928 -0.650 4.295 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.631 1.312 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.604 0.219 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.863 1.034 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.683 -0.735 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.617 -0.782 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.694 -1.736 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.457 -0.680 5.244 1.00 0.00 H new ATOM 155 N HIS A 12 -11.520 -0.295 2.096 1.00 0.00 N ATOM 156 CA HIS A 12 -10.489 -1.014 1.282 1.00 0.00 C ATOM 157 C HIS A 12 -9.749 -0.029 0.371 1.00 0.00 C ATOM 158 O HIS A 12 -8.546 -0.110 0.215 1.00 0.00 O ATOM 159 CB HIS A 12 -11.267 -2.038 0.453 1.00 0.00 C ATOM 160 CG HIS A 12 -10.401 -3.245 0.215 1.00 0.00 C ATOM 161 ND1 HIS A 12 -9.548 -3.339 -0.873 1.00 0.00 N ATOM 162 CD2 HIS A 12 -10.243 -4.414 0.918 1.00 0.00 C ATOM 163 CE1 HIS A 12 -8.922 -4.528 -0.795 1.00 0.00 C ATOM 164 NE2 HIS A 12 -9.309 -5.223 0.279 1.00 0.00 N ATOM 0 H HIS A 12 -12.481 -0.596 1.936 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.736 -1.493 1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.179 -2.328 0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.569 -1.599 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.765 -4.667 1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.195 -4.878 -1.513 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.989 -6.147 0.568 1.00 0.00 H new ATOM 172 N LEU A 13 -10.456 0.909 -0.222 1.00 0.00 N ATOM 173 CA LEU A 13 -9.782 1.909 -1.110 1.00 0.00 C ATOM 174 C LEU A 13 -8.678 2.630 -0.328 1.00 0.00 C ATOM 175 O LEU A 13 -7.583 2.826 -0.820 1.00 0.00 O ATOM 176 CB LEU A 13 -10.882 2.893 -1.525 1.00 0.00 C ATOM 177 CG LEU A 13 -10.482 3.585 -2.830 1.00 0.00 C ATOM 178 CD1 LEU A 13 -10.880 2.706 -4.017 1.00 0.00 C ATOM 179 CD2 LEU A 13 -11.197 4.934 -2.933 1.00 0.00 C ATOM 0 H LEU A 13 -11.465 1.023 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.315 1.445 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.827 2.365 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.037 3.634 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.404 3.743 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.595 3.199 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.371 1.745 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.958 2.547 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.912 5.427 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.275 4.776 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.914 5.561 -2.088 1.00 0.00 H new ATOM 191 N HIS A 14 -8.960 3.005 0.898 1.00 0.00 N ATOM 192 CA HIS A 14 -7.932 3.693 1.738 1.00 0.00 C ATOM 193 C HIS A 14 -6.793 2.713 2.049 1.00 0.00 C ATOM 194 O HIS A 14 -5.630 3.044 1.924 1.00 0.00 O ATOM 195 CB HIS A 14 -8.676 4.102 3.017 1.00 0.00 C ATOM 196 CG HIS A 14 -7.696 4.598 4.047 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.130 5.861 3.985 1.00 0.00 N ATOM 198 CD2 HIS A 14 -7.177 4.009 5.174 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.311 5.991 5.046 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.304 4.891 5.803 1.00 0.00 N ATOM 0 H HIS A 14 -9.862 2.863 1.353 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.486 4.557 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.404 4.881 2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.232 3.252 3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.411 3.013 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.731 6.877 5.259 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.773 4.732 6.659 1.00 0.00 H new ATOM 208 N GLN A 15 -7.125 1.504 2.438 1.00 0.00 N ATOM 209 CA GLN A 15 -6.069 0.488 2.743 1.00 0.00 C ATOM 210 C GLN A 15 -5.242 0.194 1.485 1.00 0.00 C ATOM 211 O GLN A 15 -4.049 -0.022 1.554 1.00 0.00 O ATOM 212 CB GLN A 15 -6.829 -0.766 3.191 1.00 0.00 C ATOM 213 CG GLN A 15 -7.499 -0.511 4.546 1.00 0.00 C ATOM 214 CD GLN A 15 -6.633 -1.092 5.667 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.952 -2.123 6.222 1.00 0.00 O ATOM 216 NE2 GLN A 15 -5.543 -0.468 6.027 1.00 0.00 N ATOM 0 H GLN A 15 -8.084 1.178 2.557 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.376 0.834 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.581 -1.032 2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.144 -1.610 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.638 0.559 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.489 -0.967 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.274 0.399 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.961 -0.847 6.774 1.00 0.00 H new ATOM 225 N ASN A 16 -5.874 0.195 0.334 1.00 0.00 N ATOM 226 CA ASN A 16 -5.139 -0.074 -0.940 1.00 0.00 C ATOM 227 C ASN A 16 -4.042 0.978 -1.158 1.00 0.00 C ATOM 228 O ASN A 16 -2.965 0.668 -1.624 1.00 0.00 O ATOM 229 CB ASN A 16 -6.201 0.024 -2.041 1.00 0.00 C ATOM 230 CG ASN A 16 -5.597 -0.407 -3.380 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.623 -1.572 -3.722 1.00 0.00 O ATOM 232 ND2 ASN A 16 -5.051 0.488 -4.158 1.00 0.00 N ATOM 0 H ASN A 16 -6.873 0.372 0.224 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.647 -1.047 -0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.053 -0.609 -1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.573 1.046 -2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.647 0.208 -5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.029 1.467 -3.872 1.00 0.00 H new ATOM 239 N ILE A 17 -4.309 2.217 -0.823 1.00 0.00 N ATOM 240 CA ILE A 17 -3.281 3.289 -1.010 1.00 0.00 C ATOM 241 C ILE A 17 -2.352 3.354 0.214 1.00 0.00 C ATOM 242 O ILE A 17 -1.165 3.587 0.085 1.00 0.00 O ATOM 243 CB ILE A 17 -4.086 4.588 -1.163 1.00 0.00 C ATOM 244 CG1 ILE A 17 -4.809 4.583 -2.515 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.148 5.798 -1.097 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.062 5.458 -2.434 1.00 0.00 C ATOM 0 H ILE A 17 -5.195 2.533 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.642 3.108 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.814 4.653 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.144 4.954 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.083 3.564 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.728 6.714 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.633 5.807 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.415 5.734 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.573 5.452 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.730 5.067 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.777 6.479 -2.181 1.00 0.00 H new ATOM 258 N VAL A 18 -2.881 3.148 1.394 1.00 0.00 N ATOM 259 CA VAL A 18 -2.026 3.196 2.623 1.00 0.00 C ATOM 260 C VAL A 18 -1.093 1.981 2.676 1.00 0.00 C ATOM 261 O VAL A 18 0.025 2.069 3.147 1.00 0.00 O ATOM 262 CB VAL A 18 -3.011 3.184 3.800 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.256 2.964 5.114 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.747 4.525 3.860 1.00 0.00 C ATOM 0 H VAL A 18 -3.867 2.949 1.561 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.386 4.078 2.643 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.727 2.374 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.963 2.957 5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.731 2.009 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.535 3.769 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.447 4.519 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.025 5.330 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.293 4.682 2.930 1.00 0.00 H new ATOM 274 N ASP A 19 -1.543 0.850 2.196 1.00 0.00 N ATOM 275 CA ASP A 19 -0.683 -0.372 2.220 1.00 0.00 C ATOM 276 C ASP A 19 0.172 -0.481 0.944 1.00 0.00 C ATOM 277 O ASP A 19 0.741 -1.517 0.665 1.00 0.00 O ATOM 278 CB ASP A 19 -1.656 -1.550 2.323 1.00 0.00 C ATOM 279 CG ASP A 19 -1.014 -2.672 3.140 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.796 -2.467 4.322 1.00 0.00 O ATOM 281 OD2 ASP A 19 -0.749 -3.716 2.568 1.00 0.00 O ATOM 0 H ASP A 19 -2.469 0.720 1.788 1.00 0.00 H new ATOM 0 HA ASP A 19 0.019 -0.348 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.585 -1.228 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.912 -1.912 1.327 1.00 0.00 H new ATOM 286 N VAL A 20 0.279 0.576 0.173 1.00 0.00 N ATOM 287 CA VAL A 20 1.114 0.516 -1.067 1.00 0.00 C ATOM 288 C VAL A 20 2.266 1.537 -1.000 1.00 0.00 C ATOM 289 O VAL A 20 3.255 1.410 -1.696 1.00 0.00 O ATOM 290 CB VAL A 20 0.150 0.828 -2.221 1.00 0.00 C ATOM 291 CG1 VAL A 20 0.075 2.338 -2.461 1.00 0.00 C ATOM 292 CG2 VAL A 20 0.643 0.134 -3.494 1.00 0.00 C ATOM 0 H VAL A 20 -0.174 1.473 0.349 1.00 0.00 H new ATOM 0 HA VAL A 20 1.585 -0.458 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.844 0.464 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.612 2.542 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.282 2.833 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.066 2.716 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.039 0.353 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.640 0.497 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.679 -0.943 -3.330 1.00 0.00 H new ATOM 302 N GLN A 21 2.145 2.541 -0.167 1.00 0.00 N ATOM 303 CA GLN A 21 3.227 3.565 -0.048 1.00 0.00 C ATOM 304 C GLN A 21 4.093 3.284 1.188 1.00 0.00 C ATOM 305 O GLN A 21 5.265 3.605 1.213 1.00 0.00 O ATOM 306 CB GLN A 21 2.497 4.904 0.098 1.00 0.00 C ATOM 307 CG GLN A 21 3.325 6.017 -0.554 1.00 0.00 C ATOM 308 CD GLN A 21 3.674 7.078 0.493 1.00 0.00 C ATOM 309 OE1 GLN A 21 4.627 6.928 1.232 1.00 0.00 O ATOM 310 NE2 GLN A 21 2.937 8.151 0.593 1.00 0.00 N ATOM 0 H GLN A 21 1.339 2.695 0.438 1.00 0.00 H new ATOM 0 HA GLN A 21 3.895 3.559 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.514 4.847 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.335 5.128 1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.237 5.602 -0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.765 6.469 -1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.137 8.279 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.162 8.861 1.290 1.00 0.00 H new ATOM 319 N TYR A 22 3.524 2.687 2.212 1.00 0.00 N ATOM 320 CA TYR A 22 4.317 2.383 3.447 1.00 0.00 C ATOM 321 C TYR A 22 5.443 1.374 3.143 1.00 0.00 C ATOM 322 O TYR A 22 6.428 1.306 3.855 1.00 0.00 O ATOM 323 CB TYR A 22 3.297 1.808 4.451 1.00 0.00 C ATOM 324 CG TYR A 22 3.204 0.301 4.327 1.00 0.00 C ATOM 325 CD1 TYR A 22 2.395 -0.273 3.341 1.00 0.00 C ATOM 326 CD2 TYR A 22 3.923 -0.519 5.205 1.00 0.00 C ATOM 327 CE1 TYR A 22 2.304 -1.665 3.232 1.00 0.00 C ATOM 328 CE2 TYR A 22 3.833 -1.911 5.094 1.00 0.00 C ATOM 329 CZ TYR A 22 3.023 -2.485 4.109 1.00 0.00 C ATOM 330 OH TYR A 22 2.932 -3.857 4.003 1.00 0.00 O ATOM 0 H TYR A 22 2.546 2.398 2.245 1.00 0.00 H new ATOM 0 HA TYR A 22 4.812 3.269 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.590 2.076 5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.317 2.252 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.840 0.359 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.547 -0.077 5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.678 -2.107 2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.390 -2.543 5.770 1.00 0.00 H new ATOM 0 HH TYR A 22 3.495 -4.276 4.687 1.00 0.00 H new ATOM 340 N MET A 23 5.305 0.594 2.095 1.00 0.00 N ATOM 341 CA MET A 23 6.364 -0.405 1.750 1.00 0.00 C ATOM 342 C MET A 23 7.360 0.186 0.736 1.00 0.00 C ATOM 343 O MET A 23 8.517 -0.187 0.710 1.00 0.00 O ATOM 344 CB MET A 23 5.609 -1.588 1.136 1.00 0.00 C ATOM 345 CG MET A 23 6.361 -2.888 1.431 1.00 0.00 C ATOM 346 SD MET A 23 6.501 -3.865 -0.088 1.00 0.00 S ATOM 347 CE MET A 23 7.918 -2.990 -0.795 1.00 0.00 C ATOM 0 H MET A 23 4.503 0.608 1.464 1.00 0.00 H new ATOM 0 HA MET A 23 6.947 -0.699 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.600 -1.639 1.545 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.510 -1.450 0.059 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.353 -2.665 1.825 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.835 -3.459 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.291 -3.540 -1.659 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.611 -1.991 -1.105 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.707 -2.911 -0.047 1.00 0.00 H new ATOM 357 N TYR A 24 6.920 1.101 -0.096 1.00 0.00 N ATOM 358 CA TYR A 24 7.841 1.714 -1.106 1.00 0.00 C ATOM 359 C TYR A 24 8.416 3.041 -0.581 1.00 0.00 C ATOM 360 O TYR A 24 8.549 4.004 -1.314 1.00 0.00 O ATOM 361 CB TYR A 24 6.967 1.957 -2.341 1.00 0.00 C ATOM 362 CG TYR A 24 6.785 0.662 -3.102 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.852 -0.284 -2.661 1.00 0.00 C ATOM 364 CD2 TYR A 24 7.546 0.410 -4.249 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.680 -1.480 -3.366 1.00 0.00 C ATOM 366 CE2 TYR A 24 7.375 -0.786 -4.954 1.00 0.00 C ATOM 367 CZ TYR A 24 6.443 -1.732 -4.512 1.00 0.00 C ATOM 368 OH TYR A 24 6.273 -2.911 -5.208 1.00 0.00 O ATOM 0 H TYR A 24 5.962 1.450 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 24 8.693 1.071 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.997 2.352 -2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.430 2.706 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.264 -0.090 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.266 1.139 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.959 -2.209 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.962 -0.979 -5.840 1.00 0.00 H new ATOM 0 HH TYR A 24 6.879 -2.927 -5.978 1.00 0.00 H new ATOM 378 N GLY A 25 8.758 3.097 0.685 1.00 0.00 N ATOM 379 CA GLY A 25 9.321 4.355 1.265 1.00 0.00 C ATOM 380 C GLY A 25 10.827 4.448 0.979 1.00 0.00 C ATOM 381 O GLY A 25 11.380 5.530 0.903 1.00 0.00 O ATOM 0 H GLY A 25 8.670 2.322 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.810 5.219 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.146 4.377 2.341 1.00 0.00 H new ATOM 385 N LEU A 26 11.497 3.328 0.824 1.00 0.00 N ATOM 386 CA LEU A 26 12.969 3.364 0.546 1.00 0.00 C ATOM 387 C LEU A 26 13.235 3.229 -0.962 1.00 0.00 C ATOM 388 O LEU A 26 14.133 2.519 -1.381 1.00 0.00 O ATOM 389 CB LEU A 26 13.549 2.164 1.309 1.00 0.00 C ATOM 390 CG LEU A 26 13.960 2.579 2.730 1.00 0.00 C ATOM 391 CD1 LEU A 26 14.945 3.751 2.670 1.00 0.00 C ATOM 392 CD2 LEU A 26 12.719 2.996 3.528 1.00 0.00 C ATOM 0 H LEU A 26 11.089 2.395 0.878 1.00 0.00 H new ATOM 0 HA LEU A 26 13.423 4.304 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.810 1.364 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.413 1.769 0.775 1.00 0.00 H new ATOM 0 HG LEU A 26 14.440 1.732 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.231 4.038 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.833 3.452 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.473 4.598 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.016 3.289 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.234 3.837 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.024 2.158 3.584 1.00 0.00 H new ATOM 404 N SER A 27 12.467 3.909 -1.780 1.00 0.00 N ATOM 405 CA SER A 27 12.680 3.824 -3.259 1.00 0.00 C ATOM 406 C SER A 27 14.049 4.418 -3.640 1.00 0.00 C ATOM 407 O SER A 27 14.833 3.757 -4.297 1.00 0.00 O ATOM 408 CB SER A 27 11.525 4.617 -3.888 1.00 0.00 C ATOM 409 OG SER A 27 11.842 4.931 -5.240 1.00 0.00 O ATOM 0 H SER A 27 11.703 4.518 -1.487 1.00 0.00 H new ATOM 0 HA SER A 27 12.686 2.794 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.605 4.034 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.349 5.532 -3.323 1.00 0.00 H new ATOM 0 HG SER A 27 11.103 5.436 -5.640 1.00 0.00 H new ATOM 415 N PRO A 28 14.314 5.639 -3.212 1.00 0.00 N ATOM 416 CA PRO A 28 15.617 6.279 -3.521 1.00 0.00 C ATOM 417 C PRO A 28 16.703 5.791 -2.544 1.00 0.00 C ATOM 418 O PRO A 28 17.401 6.579 -1.933 1.00 0.00 O ATOM 419 CB PRO A 28 15.339 7.766 -3.328 1.00 0.00 C ATOM 420 CG PRO A 28 14.193 7.839 -2.364 1.00 0.00 C ATOM 421 CD PRO A 28 13.446 6.528 -2.425 1.00 0.00 C ATOM 0 HA PRO A 28 15.983 6.045 -4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 28 16.216 8.281 -2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.086 8.244 -4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.557 8.023 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.532 8.667 -2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.269 6.127 -1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.471 6.649 -2.897 1.00 0.00 H new ATOM 429 N ALA A 29 16.847 4.497 -2.396 1.00 0.00 N ATOM 430 CA ALA A 29 17.882 3.949 -1.468 1.00 0.00 C ATOM 431 C ALA A 29 18.331 2.567 -1.951 1.00 0.00 C ATOM 432 O ALA A 29 19.492 2.350 -2.242 1.00 0.00 O ATOM 433 CB ALA A 29 17.186 3.847 -0.109 1.00 0.00 C ATOM 0 H ALA A 29 16.289 3.794 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 29 18.772 4.577 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 29 17.884 3.451 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.851 4.836 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.327 3.181 -0.189 1.00 0.00 H new ATOM 439 N ILE A 30 17.413 1.635 -2.049 1.00 0.00 N ATOM 440 CA ILE A 30 17.778 0.263 -2.527 1.00 0.00 C ATOM 441 C ILE A 30 18.173 0.317 -4.008 1.00 0.00 C ATOM 442 O ILE A 30 19.061 -0.388 -4.448 1.00 0.00 O ATOM 443 CB ILE A 30 16.516 -0.588 -2.327 1.00 0.00 C ATOM 444 CG1 ILE A 30 16.167 -0.644 -0.834 1.00 0.00 C ATOM 445 CG2 ILE A 30 16.764 -2.010 -2.839 1.00 0.00 C ATOM 446 CD1 ILE A 30 14.649 -0.743 -0.665 1.00 0.00 C ATOM 0 H ILE A 30 16.428 1.765 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 30 18.627 -0.154 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 30 15.691 -0.140 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 30 16.652 -1.502 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 30 16.542 0.246 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.866 -2.610 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.012 -1.977 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.591 -2.456 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 30 14.403 -0.783 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.175 0.129 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 30 14.286 -1.646 -1.156 1.00 0.00 H new ATOM 458 N THR A 31 17.525 1.163 -4.770 1.00 0.00 N ATOM 459 CA THR A 31 17.859 1.285 -6.225 1.00 0.00 C ATOM 460 C THR A 31 19.230 1.955 -6.387 1.00 0.00 C ATOM 461 O THR A 31 20.061 1.505 -7.154 1.00 0.00 O ATOM 462 CB THR A 31 16.756 2.167 -6.832 1.00 0.00 C ATOM 463 OG1 THR A 31 15.506 1.875 -6.217 1.00 0.00 O ATOM 464 CG2 THR A 31 16.658 1.898 -8.336 1.00 0.00 C ATOM 0 H THR A 31 16.777 1.777 -4.447 1.00 0.00 H new ATOM 0 HA THR A 31 17.908 0.314 -6.717 1.00 0.00 H new ATOM 0 HB THR A 31 17.003 3.215 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.304 2.559 -5.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.876 2.523 -8.767 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.611 2.131 -8.810 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.417 0.848 -8.503 1.00 0.00 H new ATOM 472 N LYS A 32 19.469 3.024 -5.661 1.00 0.00 N ATOM 473 CA LYS A 32 20.788 3.730 -5.757 1.00 0.00 C ATOM 474 C LYS A 32 21.930 2.786 -5.360 1.00 0.00 C ATOM 475 O LYS A 32 23.026 2.878 -5.876 1.00 0.00 O ATOM 476 CB LYS A 32 20.691 4.904 -4.774 1.00 0.00 C ATOM 477 CG LYS A 32 20.286 6.177 -5.528 1.00 0.00 C ATOM 478 CD LYS A 32 19.431 7.065 -4.616 1.00 0.00 C ATOM 479 CE LYS A 32 18.907 8.269 -5.409 1.00 0.00 C ATOM 480 NZ LYS A 32 19.839 9.390 -5.088 1.00 0.00 N ATOM 0 H LYS A 32 18.806 3.438 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 32 20.997 4.068 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.959 4.681 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.649 5.054 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.175 6.719 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.727 5.917 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.596 6.492 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.023 7.407 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.897 8.061 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.884 8.514 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.540 10.246 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.823 9.572 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.804 9.133 -5.379 1.00 0.00 H new ATOM 494 N TYR A 33 21.672 1.878 -4.454 1.00 0.00 N ATOM 495 CA TYR A 33 22.733 0.914 -4.020 1.00 0.00 C ATOM 496 C TYR A 33 22.993 -0.126 -5.122 1.00 0.00 C ATOM 497 O TYR A 33 24.115 -0.546 -5.335 1.00 0.00 O ATOM 498 CB TYR A 33 22.166 0.239 -2.765 1.00 0.00 C ATOM 499 CG TYR A 33 23.160 -0.770 -2.240 1.00 0.00 C ATOM 500 CD1 TYR A 33 24.250 -0.346 -1.470 1.00 0.00 C ATOM 501 CD2 TYR A 33 22.991 -2.130 -2.527 1.00 0.00 C ATOM 502 CE1 TYR A 33 25.172 -1.282 -0.989 1.00 0.00 C ATOM 503 CE2 TYR A 33 23.913 -3.066 -2.044 1.00 0.00 C ATOM 504 CZ TYR A 33 25.003 -2.642 -1.276 1.00 0.00 C ATOM 505 OH TYR A 33 25.911 -3.564 -0.801 1.00 0.00 O ATOM 0 H TYR A 33 20.770 1.761 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 33 23.684 1.409 -3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.954 0.987 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.222 -0.253 -2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 33 24.379 0.703 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.150 -2.457 -3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 33 26.014 -0.956 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 33 23.783 -4.115 -2.264 1.00 0.00 H new ATOM 0 HH TYR A 33 25.646 -4.462 -1.089 1.00 0.00 H new ATOM 515 N VAL A 34 21.963 -0.542 -5.820 1.00 0.00 N ATOM 516 CA VAL A 34 22.140 -1.557 -6.909 1.00 0.00 C ATOM 517 C VAL A 34 22.739 -0.908 -8.171 1.00 0.00 C ATOM 518 O VAL A 34 23.352 -1.576 -8.982 1.00 0.00 O ATOM 519 CB VAL A 34 20.727 -2.090 -7.190 1.00 0.00 C ATOM 520 CG1 VAL A 34 20.750 -3.012 -8.413 1.00 0.00 C ATOM 521 CG2 VAL A 34 20.224 -2.878 -5.975 1.00 0.00 C ATOM 0 H VAL A 34 21.004 -0.222 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 34 22.827 -2.352 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 34 20.063 -1.248 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 34 19.744 -3.386 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 34 21.103 -2.456 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 34 21.419 -3.851 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.221 -3.256 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.895 -3.715 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 34 20.198 -2.225 -5.103 1.00 0.00 H new ATOM 531 N VAL A 35 22.569 0.382 -8.342 1.00 0.00 N ATOM 532 CA VAL A 35 23.131 1.062 -9.551 1.00 0.00 C ATOM 533 C VAL A 35 24.388 1.858 -9.167 1.00 0.00 C ATOM 534 O VAL A 35 24.461 3.060 -9.350 1.00 0.00 O ATOM 535 CB VAL A 35 22.015 1.992 -10.054 1.00 0.00 C ATOM 536 CG1 VAL A 35 22.426 2.617 -11.391 1.00 0.00 C ATOM 537 CG2 VAL A 35 20.722 1.193 -10.254 1.00 0.00 C ATOM 0 H VAL A 35 22.066 0.992 -7.697 1.00 0.00 H new ATOM 0 HA VAL A 35 23.431 0.354 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 35 21.850 2.777 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.632 3.275 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.342 3.192 -11.257 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.596 1.829 -12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 35 19.935 1.858 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 35 20.891 0.405 -10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 35 20.419 0.748 -9.306 1.00 0.00 H new ATOM 547 N ARG A 36 25.378 1.189 -8.634 1.00 0.00 N ATOM 548 CA ARG A 36 26.639 1.891 -8.235 1.00 0.00 C ATOM 549 C ARG A 36 27.869 1.080 -8.672 1.00 0.00 C ATOM 550 O ARG A 36 28.847 1.695 -9.064 1.00 0.00 O ATOM 551 CB ARG A 36 26.570 1.996 -6.708 1.00 0.00 C ATOM 552 CG ARG A 36 27.502 3.113 -6.224 1.00 0.00 C ATOM 553 CD ARG A 36 26.963 4.473 -6.685 1.00 0.00 C ATOM 554 NE ARG A 36 26.964 5.327 -5.463 1.00 0.00 N ATOM 555 CZ ARG A 36 27.857 6.270 -5.322 1.00 0.00 C ATOM 556 NH1 ARG A 36 27.716 7.403 -5.958 1.00 0.00 N ATOM 557 NH2 ARG A 36 28.892 6.078 -4.547 1.00 0.00 N ATOM 558 OXT ARG A 36 27.814 -0.140 -8.607 1.00 0.00 O ATOM 0 H ARG A 36 25.369 0.185 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 36 26.731 2.870 -8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 36 25.547 2.201 -6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 36 26.858 1.047 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 36 27.578 3.091 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 36 28.507 2.957 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 36 27.591 4.902 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.959 4.379 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 36 26.266 5.175 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 36 26.909 7.551 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 36 28.413 8.140 -5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 36 29.002 5.192 -4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 36 29.590 6.814 -4.436 1.00 0.00 H new TER 572 ARG A 36