USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 429 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 50 SER OG : rot -161:sc= 1.27 USER MOD Set 1.2: A 53 HIS : no HD1:sc= 1.06 K(o=2.3,f=-7.6!) USER MOD Set 2.1: A 15 MET CE :methyl -160:sc= -0.233 (180deg=-0.961) USER MOD Set 2.2: A 21 TYR OH : rot 21:sc= 1.23 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -22:sc= 0.0566 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.129 F(o=-2.4!,f=-0.13) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.00218 K(o=-0.0022,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0428) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.545 F(o=-1.3!,f=-0.55) USER MOD Single : A 33 ASN : amide:sc= -0.762 X(o=-0.76,f=-0.68) USER MOD Single : A 34 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.8) USER MOD Single : A 37 MET CE :methyl 168:sc= -0.633 (180deg=-0.856) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 2.39 (180deg=2.22) USER MOD Single : A 40 ASN : amide:sc= -0.0813 K(o=-0.081,f=-1.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 55:sc= 0.015 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.720 13.167 4.817 1.00 0.00 N ATOM 2 CA ALA A 1 -3.430 13.261 3.370 1.00 0.00 C ATOM 3 C ALA A 1 -4.564 13.965 2.636 1.00 0.00 C ATOM 4 O ALA A 1 -5.035 13.501 1.593 1.00 0.00 O ATOM 5 CB ALA A 1 -3.192 11.874 2.785 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.934 12.684 5.298 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.832 14.123 5.211 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.598 12.628 4.961 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.524 13.852 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.980 11.960 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.344 11.408 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.081 11.261 2.929 1.00 0.00 H new ATOM 13 N THR A 2 -4.996 15.102 3.171 1.00 0.00 N ATOM 14 CA THR A 2 -6.083 15.857 2.569 1.00 0.00 C ATOM 15 C THR A 2 -5.539 16.784 1.484 1.00 0.00 C ATOM 16 O THR A 2 -5.564 18.011 1.612 1.00 0.00 O ATOM 17 CB THR A 2 -6.858 16.677 3.625 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.203 15.840 4.739 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.130 17.264 3.032 1.00 0.00 C ATOM 0 H THR A 2 -4.610 15.518 4.018 1.00 0.00 H new ATOM 0 HA THR A 2 -6.777 15.145 2.123 1.00 0.00 H new ATOM 0 HB THR A 2 -6.215 17.492 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.692 16.367 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.657 17.836 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.875 17.919 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.771 16.458 2.676 1.00 0.00 H new ATOM 27 N ALA A 3 -5.025 16.183 0.426 1.00 0.00 N ATOM 28 CA ALA A 3 -4.482 16.936 -0.687 1.00 0.00 C ATOM 29 C ALA A 3 -5.035 16.407 -1.999 1.00 0.00 C ATOM 30 O ALA A 3 -5.961 16.982 -2.568 1.00 0.00 O ATOM 31 CB ALA A 3 -2.960 16.887 -0.681 1.00 0.00 C ATOM 0 H ALA A 3 -4.973 15.170 0.315 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.784 17.978 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.574 17.459 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.586 17.315 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.629 15.852 -0.763 1.00 0.00 H new ATOM 37 N SER A 4 -4.485 15.299 -2.467 1.00 0.00 N ATOM 38 CA SER A 4 -4.926 14.716 -3.714 1.00 0.00 C ATOM 39 C SER A 4 -5.477 13.313 -3.499 1.00 0.00 C ATOM 40 O SER A 4 -4.794 12.443 -2.953 1.00 0.00 O ATOM 41 CB SER A 4 -3.744 14.659 -4.674 1.00 0.00 C ATOM 42 OG SER A 4 -3.141 15.932 -4.813 1.00 0.00 O ATOM 0 H SER A 4 -3.735 14.789 -2.001 1.00 0.00 H new ATOM 0 HA SER A 4 -5.724 15.332 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.009 13.942 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.079 14.303 -5.648 1.00 0.00 H new ATOM 0 HG SER A 4 -2.384 15.870 -5.432 1.00 0.00 H new ATOM 48 N PRO A 5 -6.710 13.062 -3.960 1.00 0.00 N ATOM 49 CA PRO A 5 -7.321 11.731 -3.928 1.00 0.00 C ATOM 50 C PRO A 5 -6.701 10.806 -4.968 1.00 0.00 C ATOM 51 O PRO A 5 -6.955 9.607 -4.985 1.00 0.00 O ATOM 52 CB PRO A 5 -8.796 11.997 -4.261 1.00 0.00 C ATOM 53 CG PRO A 5 -8.969 13.476 -4.173 1.00 0.00 C ATOM 54 CD PRO A 5 -7.635 14.059 -4.515 1.00 0.00 C ATOM 0 HA PRO A 5 -7.178 11.236 -2.967 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.044 11.632 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.454 11.483 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.737 13.822 -4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.282 13.775 -3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.507 14.179 -5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.493 15.042 -4.065 1.00 0.00 H new ATOM 62 N GLN A 6 -5.870 11.388 -5.824 1.00 0.00 N ATOM 63 CA GLN A 6 -5.178 10.651 -6.880 1.00 0.00 C ATOM 64 C GLN A 6 -4.031 9.845 -6.293 1.00 0.00 C ATOM 65 O GLN A 6 -3.788 8.706 -6.676 1.00 0.00 O ATOM 66 CB GLN A 6 -4.647 11.623 -7.933 1.00 0.00 C ATOM 67 CG GLN A 6 -5.739 12.460 -8.574 1.00 0.00 C ATOM 68 CD GLN A 6 -5.206 13.481 -9.556 1.00 0.00 C ATOM 69 OE1 GLN A 6 -5.041 13.197 -10.740 1.00 0.00 O ATOM 70 NE2 GLN A 6 -4.954 14.689 -9.075 1.00 0.00 N ATOM 0 H GLN A 6 -5.655 12.385 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.884 9.967 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.914 12.285 -7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.126 11.061 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.439 11.801 -9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.300 12.974 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.104 14.885 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.610 15.423 -9.694 1.00 0.00 H new ATOM 79 N LEU A 7 -3.344 10.448 -5.344 1.00 0.00 N ATOM 80 CA LEU A 7 -2.263 9.780 -4.633 1.00 0.00 C ATOM 81 C LEU A 7 -2.863 8.670 -3.779 1.00 0.00 C ATOM 82 O LEU A 7 -2.360 7.551 -3.731 1.00 0.00 O ATOM 83 CB LEU A 7 -1.499 10.797 -3.768 1.00 0.00 C ATOM 84 CG LEU A 7 -0.073 10.398 -3.358 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.100 9.225 -2.408 1.00 0.00 C ATOM 86 CD2 LEU A 7 0.772 10.082 -4.588 1.00 0.00 C ATOM 0 H LEU A 7 -3.514 11.407 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.553 9.346 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.449 11.741 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.078 10.981 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 7 0.384 11.242 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.920 8.958 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.661 9.494 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.578 8.374 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.778 9.802 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.320 9.257 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.823 10.961 -5.230 1.00 0.00 H new ATOM 98 N SER A 8 -3.971 8.989 -3.135 1.00 0.00 N ATOM 99 CA SER A 8 -4.708 8.011 -2.351 1.00 0.00 C ATOM 100 C SER A 8 -5.283 6.926 -3.265 1.00 0.00 C ATOM 101 O SER A 8 -5.525 5.793 -2.845 1.00 0.00 O ATOM 102 CB SER A 8 -5.804 8.736 -1.574 1.00 0.00 C ATOM 103 OG SER A 8 -6.543 7.852 -0.751 1.00 0.00 O ATOM 0 H SER A 8 -4.383 9.922 -3.139 1.00 0.00 H new ATOM 0 HA SER A 8 -4.045 7.515 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.357 9.516 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.479 9.230 -2.274 1.00 0.00 H new ATOM 0 HG SER A 8 -7.233 8.354 -0.269 1.00 0.00 H new ATOM 109 N SER A 9 -5.478 7.284 -4.525 1.00 0.00 N ATOM 110 CA SER A 9 -5.929 6.350 -5.541 1.00 0.00 C ATOM 111 C SER A 9 -4.833 5.344 -5.866 1.00 0.00 C ATOM 112 O SER A 9 -5.119 4.200 -6.230 1.00 0.00 O ATOM 113 CB SER A 9 -6.363 7.120 -6.791 1.00 0.00 C ATOM 114 OG SER A 9 -6.683 6.246 -7.861 1.00 0.00 O ATOM 0 H SER A 9 -5.327 8.232 -4.871 1.00 0.00 H new ATOM 0 HA SER A 9 -6.786 5.793 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.229 7.738 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.564 7.794 -7.099 1.00 0.00 H new ATOM 0 HG SER A 9 -6.957 6.771 -8.642 1.00 0.00 H new ATOM 120 N GLU A 10 -3.581 5.775 -5.745 1.00 0.00 N ATOM 121 CA GLU A 10 -2.445 4.888 -5.927 1.00 0.00 C ATOM 122 C GLU A 10 -2.522 3.739 -4.941 1.00 0.00 C ATOM 123 O GLU A 10 -2.353 2.579 -5.311 1.00 0.00 O ATOM 124 CB GLU A 10 -1.139 5.652 -5.734 1.00 0.00 C ATOM 125 CG GLU A 10 -0.967 6.806 -6.701 1.00 0.00 C ATOM 126 CD GLU A 10 -1.103 6.363 -8.144 1.00 0.00 C ATOM 127 OE1 GLU A 10 -0.704 5.219 -8.458 1.00 0.00 O ATOM 128 OE2 GLU A 10 -1.615 7.145 -8.966 1.00 0.00 O ATOM 0 H GLU A 10 -3.331 6.738 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.471 4.490 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.098 6.034 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.303 4.962 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.711 7.573 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.012 7.261 -6.552 1.00 0.00 H new ATOM 135 N ILE A 11 -2.790 4.075 -3.683 1.00 0.00 N ATOM 136 CA ILE A 11 -3.012 3.074 -2.652 1.00 0.00 C ATOM 137 C ILE A 11 -4.087 2.083 -3.083 1.00 0.00 C ATOM 138 O ILE A 11 -3.882 0.869 -3.036 1.00 0.00 O ATOM 139 CB ILE A 11 -3.421 3.725 -1.306 1.00 0.00 C ATOM 140 CG1 ILE A 11 -2.220 4.401 -0.645 1.00 0.00 C ATOM 141 CG2 ILE A 11 -4.048 2.705 -0.375 1.00 0.00 C ATOM 142 CD1 ILE A 11 -1.917 5.773 -1.192 1.00 0.00 C ATOM 0 H ILE A 11 -2.858 5.038 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.070 2.545 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.169 4.490 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.403 4.480 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.342 3.767 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.325 3.189 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.938 2.284 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.332 1.908 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.053 6.188 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.701 5.700 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.778 6.424 -1.040 1.00 0.00 H new ATOM 154 N GLU A 12 -5.220 2.610 -3.527 1.00 0.00 N ATOM 155 CA GLU A 12 -6.332 1.779 -3.963 1.00 0.00 C ATOM 156 C GLU A 12 -5.949 0.905 -5.161 1.00 0.00 C ATOM 157 O GLU A 12 -6.546 -0.148 -5.387 1.00 0.00 O ATOM 158 CB GLU A 12 -7.544 2.652 -4.297 1.00 0.00 C ATOM 159 CG GLU A 12 -8.171 3.301 -3.073 1.00 0.00 C ATOM 160 CD GLU A 12 -8.856 2.299 -2.164 1.00 0.00 C ATOM 161 OE1 GLU A 12 -8.170 1.415 -1.613 1.00 0.00 O ATOM 162 OE2 GLU A 12 -10.091 2.391 -1.993 1.00 0.00 O ATOM 0 H GLU A 12 -5.393 3.613 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.592 1.111 -3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.241 3.430 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.294 2.043 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.399 3.827 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.896 4.048 -3.395 1.00 0.00 H new ATOM 169 N ASN A 13 -4.950 1.345 -5.924 1.00 0.00 N ATOM 170 CA ASN A 13 -4.485 0.598 -7.087 1.00 0.00 C ATOM 171 C ASN A 13 -3.897 -0.757 -6.696 1.00 0.00 C ATOM 172 O ASN A 13 -4.297 -1.785 -7.241 1.00 0.00 O ATOM 173 CB ASN A 13 -3.466 1.418 -7.878 1.00 0.00 C ATOM 174 CG ASN A 13 -2.656 0.575 -8.848 1.00 0.00 C ATOM 175 OD1 ASN A 13 -1.524 0.190 -8.557 1.00 0.00 O ATOM 176 ND2 ASN A 13 -3.239 0.260 -9.992 1.00 0.00 N ATOM 0 H ASN A 13 -4.448 2.217 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.351 0.407 -7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.987 2.200 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.789 1.915 -7.183 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.749 -0.322 -10.671 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.179 0.599 -10.196 1.00 0.00 H new ATOM 183 N LEU A 14 -2.972 -0.779 -5.737 1.00 0.00 N ATOM 184 CA LEU A 14 -2.401 -2.059 -5.323 1.00 0.00 C ATOM 185 C LEU A 14 -3.353 -2.768 -4.362 1.00 0.00 C ATOM 186 O LEU A 14 -3.302 -3.988 -4.205 1.00 0.00 O ATOM 187 CB LEU A 14 -0.944 -1.982 -4.778 1.00 0.00 C ATOM 188 CG LEU A 14 -0.619 -1.043 -3.608 1.00 0.00 C ATOM 189 CD1 LEU A 14 -0.845 0.401 -3.985 1.00 0.00 C ATOM 190 CD2 LEU A 14 -1.405 -1.427 -2.380 1.00 0.00 C ATOM 0 H LEU A 14 -2.613 0.041 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.299 -2.658 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.655 -2.989 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.299 -1.700 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 14 0.439 -1.151 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.606 1.041 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.204 0.662 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.888 0.545 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.159 -0.748 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.471 -1.363 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.154 -2.448 -2.092 1.00 0.00 H new ATOM 202 N MET A 15 -4.214 -1.981 -3.718 1.00 0.00 N ATOM 203 CA MET A 15 -5.301 -2.508 -2.899 1.00 0.00 C ATOM 204 C MET A 15 -6.186 -3.436 -3.716 1.00 0.00 C ATOM 205 O MET A 15 -6.653 -4.465 -3.228 1.00 0.00 O ATOM 206 CB MET A 15 -6.150 -1.364 -2.367 1.00 0.00 C ATOM 207 CG MET A 15 -5.846 -0.986 -0.936 1.00 0.00 C ATOM 208 SD MET A 15 -6.179 -2.337 0.209 1.00 0.00 S ATOM 209 CE MET A 15 -7.895 -2.700 -0.165 1.00 0.00 C ATOM 0 H MET A 15 -4.177 -0.962 -3.750 1.00 0.00 H new ATOM 0 HA MET A 15 -4.863 -3.065 -2.070 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.003 -0.490 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.202 -1.640 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.800 -0.692 -0.854 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.444 -0.119 -0.656 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.343 -3.241 0.669 1.00 0.00 H new ATOM 0 HE2 MET A 15 -8.437 -1.768 -0.326 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.950 -3.312 -1.066 1.00 0.00 H new ATOM 219 N SER A 16 -6.393 -3.060 -4.970 1.00 0.00 N ATOM 220 CA SER A 16 -7.222 -3.821 -5.889 1.00 0.00 C ATOM 221 C SER A 16 -6.603 -5.192 -6.168 1.00 0.00 C ATOM 222 O SER A 16 -7.247 -6.073 -6.737 1.00 0.00 O ATOM 223 CB SER A 16 -7.390 -3.028 -7.190 1.00 0.00 C ATOM 224 OG SER A 16 -8.316 -3.639 -8.073 1.00 0.00 O ATOM 0 H SER A 16 -5.989 -2.217 -5.378 1.00 0.00 H new ATOM 0 HA SER A 16 -8.201 -3.985 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.725 -2.017 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.423 -2.937 -7.686 1.00 0.00 H new ATOM 0 HG SER A 16 -8.397 -4.591 -7.855 1.00 0.00 H new ATOM 230 N GLN A 17 -5.353 -5.361 -5.760 1.00 0.00 N ATOM 231 CA GLN A 17 -4.653 -6.617 -5.948 1.00 0.00 C ATOM 232 C GLN A 17 -4.823 -7.514 -4.727 1.00 0.00 C ATOM 233 O GLN A 17 -4.541 -8.710 -4.786 1.00 0.00 O ATOM 234 CB GLN A 17 -3.177 -6.346 -6.218 1.00 0.00 C ATOM 235 CG GLN A 17 -2.958 -5.492 -7.460 1.00 0.00 C ATOM 236 CD GLN A 17 -1.536 -5.001 -7.614 1.00 0.00 C ATOM 237 OE1 GLN A 17 -0.865 -4.777 -6.505 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -1.053 -4.811 -8.729 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.804 -4.638 -5.295 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.079 -7.136 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.739 -5.845 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.653 -7.294 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.231 -6.071 -8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.628 -4.633 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.608 -4.998 -9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.097 -4.467 -8.819 1.00 0.00 H new ATOM 247 N GLY A 18 -5.278 -6.927 -3.622 1.00 0.00 N ATOM 248 CA GLY A 18 -5.549 -7.699 -2.423 1.00 0.00 C ATOM 249 C GLY A 18 -4.632 -7.333 -1.270 1.00 0.00 C ATOM 250 O GLY A 18 -4.794 -7.841 -0.158 1.00 0.00 O ATOM 0 H GLY A 18 -5.464 -5.928 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.585 -7.543 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.439 -8.760 -2.647 1.00 0.00 H new ATOM 254 N TYR A 19 -3.667 -6.459 -1.540 1.00 0.00 N ATOM 255 CA TYR A 19 -2.702 -6.037 -0.525 1.00 0.00 C ATOM 256 C TYR A 19 -3.394 -5.380 0.677 1.00 0.00 C ATOM 257 O TYR A 19 -4.558 -4.991 0.601 1.00 0.00 O ATOM 258 CB TYR A 19 -1.677 -5.090 -1.148 1.00 0.00 C ATOM 259 CG TYR A 19 -0.637 -5.814 -1.978 1.00 0.00 C ATOM 260 CD1 TYR A 19 0.263 -6.686 -1.376 1.00 0.00 C ATOM 261 CD2 TYR A 19 -0.555 -5.635 -3.351 1.00 0.00 C ATOM 262 CE1 TYR A 19 1.214 -7.355 -2.120 1.00 0.00 C ATOM 263 CE2 TYR A 19 0.398 -6.302 -4.102 1.00 0.00 C ATOM 264 CZ TYR A 19 1.277 -7.162 -3.479 1.00 0.00 C ATOM 265 OH TYR A 19 2.220 -7.836 -4.218 1.00 0.00 O ATOM 0 H TYR A 19 -3.531 -6.028 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.188 -6.924 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.194 -4.364 -1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.178 -4.530 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.217 -6.843 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.245 -4.965 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.906 -8.028 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.452 -6.149 -5.170 1.00 0.00 H new ATOM 0 HH TYR A 19 2.132 -7.590 -5.163 1.00 0.00 H new ATOM 275 N SER A 20 -2.670 -5.264 1.784 1.00 0.00 N ATOM 276 CA SER A 20 -3.260 -4.821 3.049 1.00 0.00 C ATOM 277 C SER A 20 -2.814 -3.414 3.444 1.00 0.00 C ATOM 278 O SER A 20 -1.629 -3.077 3.381 1.00 0.00 O ATOM 279 CB SER A 20 -2.887 -5.808 4.148 1.00 0.00 C ATOM 280 OG SER A 20 -3.372 -7.106 3.844 1.00 0.00 O ATOM 0 H SER A 20 -1.672 -5.470 1.835 1.00 0.00 H new ATOM 0 HA SER A 20 -4.341 -4.787 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.804 -5.838 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.301 -5.474 5.099 1.00 0.00 H new ATOM 0 HG SER A 20 -3.121 -7.725 4.561 1.00 0.00 H new ATOM 286 N TYR A 21 -3.793 -2.619 3.900 1.00 0.00 N ATOM 287 CA TYR A 21 -3.600 -1.201 4.225 1.00 0.00 C ATOM 288 C TYR A 21 -2.517 -0.982 5.272 1.00 0.00 C ATOM 289 O TYR A 21 -1.791 0.012 5.205 1.00 0.00 O ATOM 290 CB TYR A 21 -4.892 -0.575 4.754 1.00 0.00 C ATOM 291 CG TYR A 21 -5.927 -0.251 3.701 1.00 0.00 C ATOM 292 CD1 TYR A 21 -5.747 0.812 2.826 1.00 0.00 C ATOM 293 CD2 TYR A 21 -7.098 -0.991 3.602 1.00 0.00 C ATOM 294 CE1 TYR A 21 -6.701 1.126 1.876 1.00 0.00 C ATOM 295 CE2 TYR A 21 -8.059 -0.682 2.657 1.00 0.00 C ATOM 296 CZ TYR A 21 -7.855 0.376 1.796 1.00 0.00 C ATOM 297 OH TYR A 21 -8.817 0.692 0.859 1.00 0.00 O ATOM 0 H TYR A 21 -4.747 -2.946 4.054 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.296 -0.726 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.336 -1.256 5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.641 0.341 5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.846 1.404 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.261 -1.821 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.543 1.954 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.965 -1.266 2.593 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.412 1.221 0.140 1.00 0.00 H new ATOM 307 N GLN A 22 -2.432 -1.885 6.249 1.00 0.00 N ATOM 308 CA GLN A 22 -1.474 -1.741 7.341 1.00 0.00 C ATOM 309 C GLN A 22 -0.057 -1.580 6.804 1.00 0.00 C ATOM 310 O GLN A 22 0.660 -0.647 7.177 1.00 0.00 O ATOM 311 CB GLN A 22 -1.551 -2.931 8.305 1.00 0.00 C ATOM 312 CG GLN A 22 -1.461 -4.295 7.642 1.00 0.00 C ATOM 313 CD GLN A 22 -1.367 -5.423 8.651 1.00 0.00 C ATOM 314 OE1 GLN A 22 -0.847 -5.243 9.754 1.00 0.00 O ATOM 315 NE2 GLN A 22 -1.863 -6.592 8.284 1.00 0.00 N ATOM 0 H GLN A 22 -3.014 -2.721 6.305 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.736 -0.839 7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.745 -2.843 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.489 -2.873 8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.337 -4.448 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.589 -4.322 6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.285 -6.700 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.823 -7.386 8.923 1.00 0.00 H new ATOM 324 N ASP A 23 0.327 -2.472 5.912 1.00 0.00 N ATOM 325 CA ASP A 23 1.641 -2.417 5.298 1.00 0.00 C ATOM 326 C ASP A 23 1.668 -1.425 4.146 1.00 0.00 C ATOM 327 O ASP A 23 2.727 -0.930 3.778 1.00 0.00 O ATOM 328 CB ASP A 23 2.077 -3.795 4.820 1.00 0.00 C ATOM 329 CG ASP A 23 2.297 -4.766 5.963 1.00 0.00 C ATOM 330 OD1 ASP A 23 1.316 -5.388 6.415 1.00 0.00 O ATOM 331 OD2 ASP A 23 3.452 -4.907 6.417 1.00 0.00 O ATOM 0 H ASP A 23 -0.255 -3.247 5.595 1.00 0.00 H new ATOM 0 HA ASP A 23 2.345 -2.077 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.321 -4.198 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.998 -3.701 4.245 1.00 0.00 H new ATOM 336 N ILE A 24 0.506 -1.141 3.572 1.00 0.00 N ATOM 337 CA ILE A 24 0.394 -0.110 2.543 1.00 0.00 C ATOM 338 C ILE A 24 0.873 1.232 3.088 1.00 0.00 C ATOM 339 O ILE A 24 1.698 1.907 2.468 1.00 0.00 O ATOM 340 CB ILE A 24 -1.060 0.022 2.033 1.00 0.00 C ATOM 341 CG1 ILE A 24 -1.407 -1.129 1.088 1.00 0.00 C ATOM 342 CG2 ILE A 24 -1.289 1.368 1.355 1.00 0.00 C ATOM 343 CD1 ILE A 24 -2.867 -1.163 0.694 1.00 0.00 C ATOM 0 H ILE A 24 -0.372 -1.608 3.799 1.00 0.00 H new ATOM 0 HA ILE A 24 1.024 -0.407 1.704 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.723 -0.031 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.797 -1.047 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.145 -2.073 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.320 1.430 1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.097 2.171 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.613 1.467 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.043 -2.004 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.482 -1.276 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.129 -0.234 0.188 1.00 0.00 H new ATOM 355 N GLN A 25 0.362 1.604 4.255 1.00 0.00 N ATOM 356 CA GLN A 25 0.793 2.824 4.918 1.00 0.00 C ATOM 357 C GLN A 25 2.275 2.726 5.257 1.00 0.00 C ATOM 358 O GLN A 25 3.023 3.696 5.143 1.00 0.00 O ATOM 359 CB GLN A 25 -0.019 3.058 6.189 1.00 0.00 C ATOM 360 CG GLN A 25 0.324 4.367 6.874 1.00 0.00 C ATOM 361 CD GLN A 25 -0.466 4.591 8.141 1.00 0.00 C ATOM 362 OE1 GLN A 25 -1.606 4.143 8.269 1.00 0.00 O ATOM 363 NE2 GLN A 25 0.138 5.280 9.091 1.00 0.00 N ATOM 0 H GLN A 25 -0.351 1.077 4.760 1.00 0.00 H new ATOM 0 HA GLN A 25 0.631 3.666 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.081 3.050 5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.154 2.235 6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.388 4.381 7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.138 5.191 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.083 5.633 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.341 5.460 9.974 1.00 0.00 H new ATOM 372 N LYS A 26 2.683 1.531 5.658 1.00 0.00 N ATOM 373 CA LYS A 26 4.077 1.228 5.949 1.00 0.00 C ATOM 374 C LYS A 26 4.960 1.480 4.728 1.00 0.00 C ATOM 375 O LYS A 26 6.077 1.983 4.844 1.00 0.00 O ATOM 376 CB LYS A 26 4.178 -0.226 6.404 1.00 0.00 C ATOM 377 CG LYS A 26 4.009 -0.413 7.897 1.00 0.00 C ATOM 378 CD LYS A 26 3.897 -1.883 8.258 1.00 0.00 C ATOM 379 CE LYS A 26 5.127 -2.664 7.826 1.00 0.00 C ATOM 380 NZ LYS A 26 6.349 -2.235 8.555 1.00 0.00 N ATOM 0 H LYS A 26 2.053 0.740 5.791 1.00 0.00 H new ATOM 0 HA LYS A 26 4.432 1.884 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.419 -0.812 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.148 -0.624 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.857 0.029 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.117 0.116 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.762 -1.984 9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.012 -2.307 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.959 -3.727 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.280 -2.534 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.132 -2.881 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.603 -1.268 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.167 -2.255 9.579 1.00 0.00 H new ATOM 394 N ALA A 27 4.449 1.138 3.558 1.00 0.00 N ATOM 395 CA ALA A 27 5.149 1.398 2.312 1.00 0.00 C ATOM 396 C ALA A 27 5.252 2.892 2.061 1.00 0.00 C ATOM 397 O ALA A 27 6.275 3.381 1.601 1.00 0.00 O ATOM 398 CB ALA A 27 4.438 0.718 1.157 1.00 0.00 C ATOM 0 H ALA A 27 3.546 0.677 3.445 1.00 0.00 H new ATOM 0 HA ALA A 27 6.157 0.991 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.974 0.921 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.408 -0.358 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.420 1.101 1.080 1.00 0.00 H new ATOM 404 N LEU A 28 4.191 3.617 2.384 1.00 0.00 N ATOM 405 CA LEU A 28 4.157 5.054 2.177 1.00 0.00 C ATOM 406 C LEU A 28 5.196 5.767 3.034 1.00 0.00 C ATOM 407 O LEU A 28 5.802 6.734 2.590 1.00 0.00 O ATOM 408 CB LEU A 28 2.772 5.599 2.499 1.00 0.00 C ATOM 409 CG LEU A 28 1.663 5.152 1.551 1.00 0.00 C ATOM 410 CD1 LEU A 28 0.310 5.338 2.208 1.00 0.00 C ATOM 411 CD2 LEU A 28 1.733 5.922 0.241 1.00 0.00 C ATOM 0 H LEU A 28 3.340 3.230 2.792 1.00 0.00 H new ATOM 0 HA LEU A 28 4.391 5.241 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.506 5.297 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.817 6.688 2.493 1.00 0.00 H new ATOM 0 HG LEU A 28 1.801 4.094 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.474 5.016 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.263 4.742 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.167 6.390 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.934 5.588 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.619 6.988 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.697 5.743 -0.235 1.00 0.00 H new ATOM 423 N VAL A 29 5.406 5.287 4.255 1.00 0.00 N ATOM 424 CA VAL A 29 6.338 5.944 5.165 1.00 0.00 C ATOM 425 C VAL A 29 7.783 5.800 4.682 1.00 0.00 C ATOM 426 O VAL A 29 8.606 6.684 4.917 1.00 0.00 O ATOM 427 CB VAL A 29 6.211 5.444 6.623 1.00 0.00 C ATOM 428 CG1 VAL A 29 4.760 5.449 7.072 1.00 0.00 C ATOM 429 CG2 VAL A 29 6.821 4.074 6.812 1.00 0.00 C ATOM 0 H VAL A 29 4.951 4.457 4.634 1.00 0.00 H new ATOM 0 HA VAL A 29 6.066 7.000 5.161 1.00 0.00 H new ATOM 0 HB VAL A 29 6.773 6.138 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.696 5.093 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.365 6.463 7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.177 4.794 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.708 3.765 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.316 3.358 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.880 4.109 6.558 1.00 0.00 H new ATOM 439 N ILE A 30 8.091 4.697 4.000 1.00 0.00 N ATOM 440 CA ILE A 30 9.418 4.519 3.431 1.00 0.00 C ATOM 441 C ILE A 30 9.475 5.159 2.052 1.00 0.00 C ATOM 442 O ILE A 30 10.519 5.635 1.601 1.00 0.00 O ATOM 443 CB ILE A 30 9.831 3.012 3.393 1.00 0.00 C ATOM 444 CG1 ILE A 30 10.965 2.736 2.385 1.00 0.00 C ATOM 445 CG2 ILE A 30 8.631 2.120 3.107 1.00 0.00 C ATOM 446 CD1 ILE A 30 10.496 2.517 0.962 1.00 0.00 C ATOM 0 H ILE A 30 7.446 3.925 3.832 1.00 0.00 H new ATOM 0 HA ILE A 30 10.144 5.019 4.072 1.00 0.00 H new ATOM 0 HB ILE A 30 10.216 2.770 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.661 3.575 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.519 1.856 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.949 1.078 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.882 2.256 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.201 2.387 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.357 2.330 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.825 1.659 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.969 3.404 0.612 1.00 0.00 H new ATOM 458 N ALA A 31 8.329 5.187 1.397 1.00 0.00 N ATOM 459 CA ALA A 31 8.230 5.722 0.055 1.00 0.00 C ATOM 460 C ALA A 31 7.965 7.213 0.057 1.00 0.00 C ATOM 461 O ALA A 31 7.722 7.779 -0.991 1.00 0.00 O ATOM 462 CB ALA A 31 7.129 5.021 -0.720 1.00 0.00 C ATOM 0 H ALA A 31 7.448 4.842 1.778 1.00 0.00 H new ATOM 0 HA ALA A 31 9.191 5.545 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.070 5.437 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.349 3.955 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.176 5.167 -0.211 1.00 0.00 H new ATOM 468 N GLN A 32 8.034 7.840 1.232 1.00 0.00 N ATOM 469 CA GLN A 32 7.648 9.248 1.412 1.00 0.00 C ATOM 470 C GLN A 32 6.379 9.578 0.611 1.00 0.00 C ATOM 471 O GLN A 32 6.333 10.541 -0.154 1.00 0.00 O ATOM 472 CB GLN A 32 8.806 10.234 1.105 1.00 0.00 C ATOM 473 CG GLN A 32 9.358 10.246 -0.325 1.00 0.00 C ATOM 474 CD GLN A 32 10.598 9.385 -0.509 1.00 0.00 C ATOM 475 OE1 GLN A 32 10.430 8.198 -1.070 1.00 0.00 O flip ATOM 476 NE2 GLN A 32 11.713 9.811 -0.207 1.00 0.00 N flip ATOM 0 H GLN A 32 8.358 7.390 2.088 1.00 0.00 H new ATOM 0 HA GLN A 32 7.418 9.382 2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.464 11.241 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.629 10.009 1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.582 9.900 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.594 11.273 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.808 10.730 0.224 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.542 9.244 -0.388 1.00 0.00 H new ATOM 485 N ASN A 33 5.357 8.745 0.830 1.00 0.00 N ATOM 486 CA ASN A 33 4.072 8.777 0.110 1.00 0.00 C ATOM 487 C ASN A 33 4.250 8.886 -1.410 1.00 0.00 C ATOM 488 O ASN A 33 3.556 9.646 -2.086 1.00 0.00 O ATOM 489 CB ASN A 33 3.114 9.864 0.648 1.00 0.00 C ATOM 490 CG ASN A 33 3.588 11.298 0.468 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.251 11.860 1.341 1.00 0.00 O ATOM 492 ND2 ASN A 33 3.223 11.911 -0.649 1.00 0.00 N ATOM 0 H ASN A 33 5.398 8.007 1.533 1.00 0.00 H new ATOM 0 HA ASN A 33 3.601 7.814 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.150 9.753 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.948 9.685 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.491 12.882 -0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.674 11.412 -1.349 1.00 0.00 H new ATOM 499 N ASN A 34 5.172 8.094 -1.941 1.00 0.00 N ATOM 500 CA ASN A 34 5.381 8.012 -3.384 1.00 0.00 C ATOM 501 C ASN A 34 4.343 7.128 -4.033 1.00 0.00 C ATOM 502 O ASN A 34 3.787 6.235 -3.393 1.00 0.00 O ATOM 503 CB ASN A 34 6.772 7.472 -3.725 1.00 0.00 C ATOM 504 CG ASN A 34 7.824 8.555 -3.793 1.00 0.00 C ATOM 505 OD1 ASN A 34 7.671 9.635 -3.225 1.00 0.00 O ATOM 506 ND2 ASN A 34 8.912 8.256 -4.469 1.00 0.00 N ATOM 0 H ASN A 34 5.790 7.496 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 34 5.291 9.027 -3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.064 6.736 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.730 6.953 -4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.672 8.933 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.996 7.347 -4.925 1.00 0.00 H new ATOM 513 N ILE A 35 4.100 7.371 -5.304 1.00 0.00 N ATOM 514 CA ILE A 35 3.159 6.585 -6.074 1.00 0.00 C ATOM 515 C ILE A 35 3.652 5.140 -6.225 1.00 0.00 C ATOM 516 O ILE A 35 3.130 4.208 -5.595 1.00 0.00 O ATOM 517 CB ILE A 35 2.938 7.248 -7.461 1.00 0.00 C ATOM 518 CG1 ILE A 35 2.302 6.281 -8.456 1.00 0.00 C ATOM 519 CG2 ILE A 35 4.245 7.809 -8.014 1.00 0.00 C ATOM 520 CD1 ILE A 35 2.015 6.935 -9.778 1.00 0.00 C ATOM 0 H ILE A 35 4.549 8.119 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 35 2.206 6.553 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 35 2.243 8.075 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.967 5.431 -8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.375 5.889 -8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.062 8.267 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.639 8.559 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.969 7.002 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.563 6.208 -10.453 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.328 7.769 -9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.945 7.303 -10.211 1.00 0.00 H new ATOM 532 N GLU A 36 4.695 4.973 -7.015 1.00 0.00 N ATOM 533 CA GLU A 36 5.192 3.661 -7.367 1.00 0.00 C ATOM 534 C GLU A 36 5.958 3.022 -6.213 1.00 0.00 C ATOM 535 O GLU A 36 5.862 1.823 -5.998 1.00 0.00 O ATOM 536 CB GLU A 36 6.090 3.775 -8.595 1.00 0.00 C ATOM 537 CG GLU A 36 5.362 4.225 -9.853 1.00 0.00 C ATOM 538 CD GLU A 36 4.292 3.253 -10.299 1.00 0.00 C ATOM 539 OE1 GLU A 36 4.641 2.153 -10.780 1.00 0.00 O ATOM 540 OE2 GLU A 36 3.094 3.581 -10.187 1.00 0.00 O ATOM 0 H GLU A 36 5.220 5.743 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 36 4.340 3.019 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.894 4.479 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.556 2.808 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.907 5.199 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.086 4.354 -10.658 1.00 0.00 H new ATOM 547 N MET A 37 6.705 3.820 -5.457 1.00 0.00 N ATOM 548 CA MET A 37 7.563 3.258 -4.417 1.00 0.00 C ATOM 549 C MET A 37 6.739 2.548 -3.344 1.00 0.00 C ATOM 550 O MET A 37 7.147 1.516 -2.828 1.00 0.00 O ATOM 551 CB MET A 37 8.481 4.325 -3.794 1.00 0.00 C ATOM 552 CG MET A 37 9.581 3.727 -2.928 1.00 0.00 C ATOM 553 SD MET A 37 10.742 2.739 -3.891 1.00 0.00 S ATOM 554 CE MET A 37 11.864 2.179 -2.613 1.00 0.00 C ATOM 0 H MET A 37 6.736 4.836 -5.540 1.00 0.00 H new ATOM 0 HA MET A 37 8.204 2.517 -4.894 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.933 4.917 -4.589 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.881 5.006 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.120 4.529 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.133 3.106 -2.152 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.506 1.393 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.479 3.014 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.291 1.789 -1.772 1.00 0.00 H new ATOM 564 N ALA A 38 5.573 3.090 -3.033 1.00 0.00 N ATOM 565 CA ALA A 38 4.682 2.481 -2.055 1.00 0.00 C ATOM 566 C ALA A 38 4.120 1.152 -2.550 1.00 0.00 C ATOM 567 O ALA A 38 4.227 0.129 -1.874 1.00 0.00 O ATOM 568 CB ALA A 38 3.558 3.437 -1.743 1.00 0.00 C ATOM 0 H ALA A 38 5.219 3.954 -3.444 1.00 0.00 H new ATOM 0 HA ALA A 38 5.256 2.274 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.889 2.985 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.969 4.361 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.003 3.657 -2.655 1.00 0.00 H new ATOM 574 N LYS A 39 3.539 1.169 -3.744 1.00 0.00 N ATOM 575 CA LYS A 39 2.974 -0.047 -4.331 1.00 0.00 C ATOM 576 C LYS A 39 4.064 -1.095 -4.573 1.00 0.00 C ATOM 577 O LYS A 39 3.810 -2.302 -4.512 1.00 0.00 O ATOM 578 CB LYS A 39 2.241 0.279 -5.634 1.00 0.00 C ATOM 579 CG LYS A 39 3.112 0.994 -6.637 1.00 0.00 C ATOM 580 CD LYS A 39 2.355 1.415 -7.883 1.00 0.00 C ATOM 581 CE LYS A 39 1.400 2.560 -7.594 1.00 0.00 C ATOM 582 NZ LYS A 39 0.810 3.114 -8.841 1.00 0.00 N ATOM 0 H LYS A 39 3.445 2.003 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 39 2.256 -0.464 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.870 -0.645 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.371 0.897 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.549 1.876 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.938 0.343 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.063 1.716 -8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.797 0.565 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.602 2.211 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.930 3.349 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.494 4.090 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.525 3.107 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.003 2.532 -9.129 1.00 0.00 H new ATOM 596 N ASN A 40 5.282 -0.626 -4.824 1.00 0.00 N ATOM 597 CA ASN A 40 6.407 -1.514 -5.099 1.00 0.00 C ATOM 598 C ASN A 40 6.958 -2.123 -3.817 1.00 0.00 C ATOM 599 O ASN A 40 7.432 -3.255 -3.823 1.00 0.00 O ATOM 600 CB ASN A 40 7.523 -0.776 -5.847 1.00 0.00 C ATOM 601 CG ASN A 40 7.225 -0.616 -7.326 1.00 0.00 C ATOM 602 OD1 ASN A 40 6.531 -1.438 -7.927 1.00 0.00 O ATOM 603 ND2 ASN A 40 7.748 0.444 -7.929 1.00 0.00 N ATOM 0 H ASN A 40 5.516 0.367 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 40 6.035 -2.319 -5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.666 0.208 -5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.459 -1.321 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.580 0.600 -8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.318 1.103 -7.398 1.00 0.00 H new ATOM 610 N ILE A 41 6.895 -1.382 -2.718 1.00 0.00 N ATOM 611 CA ILE A 41 7.374 -1.893 -1.444 1.00 0.00 C ATOM 612 C ILE A 41 6.504 -3.033 -0.948 1.00 0.00 C ATOM 613 O ILE A 41 7.019 -3.996 -0.396 1.00 0.00 O ATOM 614 CB ILE A 41 7.494 -0.786 -0.376 1.00 0.00 C ATOM 615 CG1 ILE A 41 8.734 0.052 -0.668 1.00 0.00 C ATOM 616 CG2 ILE A 41 7.567 -1.368 1.032 1.00 0.00 C ATOM 617 CD1 ILE A 41 10.025 -0.751 -0.658 1.00 0.00 C ATOM 0 H ILE A 41 6.520 -0.434 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 41 8.378 -2.280 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 41 6.602 -0.161 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.620 0.529 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.806 0.850 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.651 -0.558 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.664 -1.944 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.438 -2.018 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.866 -0.091 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.163 -1.206 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.974 -1.532 -1.416 1.00 0.00 H new ATOM 629 N LEU A 42 5.195 -2.942 -1.140 1.00 0.00 N ATOM 630 CA LEU A 42 4.335 -4.077 -0.822 1.00 0.00 C ATOM 631 C LEU A 42 4.794 -5.275 -1.631 1.00 0.00 C ATOM 632 O LEU A 42 5.121 -6.317 -1.085 1.00 0.00 O ATOM 633 CB LEU A 42 2.861 -3.798 -1.123 1.00 0.00 C ATOM 634 CG LEU A 42 2.129 -2.823 -0.188 1.00 0.00 C ATOM 635 CD1 LEU A 42 0.930 -3.501 0.423 1.00 0.00 C ATOM 636 CD2 LEU A 42 3.035 -2.296 0.911 1.00 0.00 C ATOM 0 H LEU A 42 4.714 -2.119 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 42 4.415 -4.269 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.791 -3.410 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.327 -4.748 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 42 1.809 -1.972 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.416 -2.804 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.250 -3.820 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.255 -4.370 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.475 -1.611 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.403 -3.129 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.879 -1.769 0.465 1.00 0.00 H new ATOM 648 N ARG A 43 4.869 -5.070 -2.936 1.00 0.00 N ATOM 649 CA ARG A 43 5.378 -6.068 -3.870 1.00 0.00 C ATOM 650 C ARG A 43 6.667 -6.721 -3.351 1.00 0.00 C ATOM 651 O ARG A 43 6.781 -7.947 -3.283 1.00 0.00 O ATOM 652 CB ARG A 43 5.645 -5.368 -5.188 1.00 0.00 C ATOM 653 CG ARG A 43 6.588 -6.108 -6.099 1.00 0.00 C ATOM 654 CD ARG A 43 6.735 -5.358 -7.391 1.00 0.00 C ATOM 655 NE ARG A 43 7.839 -5.869 -8.185 1.00 0.00 N ATOM 656 CZ ARG A 43 8.079 -5.520 -9.445 1.00 0.00 C ATOM 657 NH1 ARG A 43 7.268 -4.676 -10.075 1.00 0.00 N ATOM 658 NH2 ARG A 43 9.137 -6.015 -10.072 1.00 0.00 N ATOM 0 H ARG A 43 4.577 -4.201 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 43 4.642 -6.863 -3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.698 -5.220 -5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.055 -4.379 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.560 -6.219 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.210 -7.112 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.810 -5.433 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.896 -4.300 -7.182 1.00 0.00 H new ATOM 0 HE ARG A 43 8.471 -6.539 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.456 -4.292 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.458 -4.412 -11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.761 -6.660 -9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.327 -5.751 -11.039 1.00 0.00 H new ATOM 672 N GLU A 44 7.624 -5.879 -3.003 1.00 0.00 N ATOM 673 CA GLU A 44 8.915 -6.317 -2.470 1.00 0.00 C ATOM 674 C GLU A 44 8.792 -6.998 -1.100 1.00 0.00 C ATOM 675 O GLU A 44 9.406 -8.039 -0.855 1.00 0.00 O ATOM 676 CB GLU A 44 9.860 -5.117 -2.358 1.00 0.00 C ATOM 677 CG GLU A 44 10.338 -4.586 -3.698 1.00 0.00 C ATOM 678 CD GLU A 44 11.392 -3.507 -3.552 1.00 0.00 C ATOM 679 OE1 GLU A 44 12.419 -3.767 -2.885 1.00 0.00 O ATOM 680 OE2 GLU A 44 11.216 -2.409 -4.114 1.00 0.00 O ATOM 0 H GLU A 44 7.533 -4.866 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 44 9.314 -7.056 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.353 -4.316 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.726 -5.403 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.744 -5.408 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.488 -4.187 -4.251 1.00 0.00 H new ATOM 687 N PHE A 45 8.006 -6.403 -0.218 1.00 0.00 N ATOM 688 CA PHE A 45 7.945 -6.817 1.183 1.00 0.00 C ATOM 689 C PHE A 45 6.740 -7.700 1.489 1.00 0.00 C ATOM 690 O PHE A 45 6.845 -8.926 1.559 1.00 0.00 O ATOM 691 CB PHE A 45 7.909 -5.570 2.081 1.00 0.00 C ATOM 692 CG PHE A 45 9.268 -5.030 2.426 1.00 0.00 C ATOM 693 CD1 PHE A 45 9.937 -4.187 1.552 1.00 0.00 C ATOM 694 CD2 PHE A 45 9.876 -5.369 3.625 1.00 0.00 C ATOM 695 CE1 PHE A 45 11.186 -3.690 1.869 1.00 0.00 C ATOM 696 CE2 PHE A 45 11.124 -4.875 3.946 1.00 0.00 C ATOM 697 CZ PHE A 45 11.781 -4.035 3.068 1.00 0.00 C ATOM 0 H PHE A 45 7.392 -5.621 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 45 8.836 -7.412 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.335 -4.790 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.380 -5.813 3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.477 -3.916 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.368 -6.026 4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.697 -3.033 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.587 -5.145 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.758 -3.648 3.318 1.00 0.00 H new ATOM 707 N VAL A 46 5.602 -7.063 1.673 1.00 0.00 N ATOM 708 CA VAL A 46 4.398 -7.729 2.126 1.00 0.00 C ATOM 709 C VAL A 46 3.617 -8.343 0.971 1.00 0.00 C ATOM 710 O VAL A 46 3.251 -7.669 0.014 1.00 0.00 O ATOM 711 CB VAL A 46 3.514 -6.735 2.908 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.790 -5.317 2.432 1.00 0.00 C ATOM 713 CG2 VAL A 46 2.031 -7.069 2.773 1.00 0.00 C ATOM 0 H VAL A 46 5.486 -6.063 1.512 1.00 0.00 H new ATOM 0 HA VAL A 46 4.695 -8.546 2.784 1.00 0.00 H new ATOM 0 HB VAL A 46 3.767 -6.816 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.164 -4.619 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.840 -5.075 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.565 -5.240 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.442 -6.346 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.743 -7.030 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.847 -8.070 3.162 1.00 0.00 H new ATOM 723 N SER A 47 3.338 -9.623 1.091 1.00 0.00 N ATOM 724 CA SER A 47 2.629 -10.340 0.055 1.00 0.00 C ATOM 725 C SER A 47 1.159 -10.496 0.420 1.00 0.00 C ATOM 726 O SER A 47 0.734 -10.136 1.523 1.00 0.00 O ATOM 727 CB SER A 47 3.265 -11.706 -0.173 1.00 0.00 C ATOM 728 OG SER A 47 3.390 -12.424 1.044 1.00 0.00 O ATOM 0 H SER A 47 3.593 -10.190 1.900 1.00 0.00 H new ATOM 0 HA SER A 47 2.695 -9.764 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.660 -12.279 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.248 -11.581 -0.627 1.00 0.00 H new ATOM 0 HG SER A 47 3.799 -13.297 0.868 1.00 0.00 H new ATOM 734 N ILE A 48 0.390 -11.034 -0.506 1.00 0.00 N ATOM 735 CA ILE A 48 -1.033 -11.192 -0.310 1.00 0.00 C ATOM 736 C ILE A 48 -1.349 -12.580 0.213 1.00 0.00 C ATOM 737 O ILE A 48 -1.296 -13.566 -0.526 1.00 0.00 O ATOM 738 CB ILE A 48 -1.800 -10.974 -1.614 1.00 0.00 C ATOM 739 CG1 ILE A 48 -0.921 -10.245 -2.636 1.00 0.00 C ATOM 740 CG2 ILE A 48 -3.066 -10.188 -1.335 1.00 0.00 C ATOM 741 CD1 ILE A 48 -1.634 -9.908 -3.928 1.00 0.00 C ATOM 0 H ILE A 48 0.732 -11.370 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.343 -10.442 0.418 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.073 -11.942 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.547 -9.324 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.053 -10.865 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.611 -10.034 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.692 -10.742 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.806 -9.222 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.946 -9.394 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.984 -10.826 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.485 -9.261 -3.716 1.00 0.00 H new ATOM 753 N SER A 49 -1.669 -12.643 1.488 1.00 0.00 N ATOM 754 CA SER A 49 -1.997 -13.903 2.138 1.00 0.00 C ATOM 755 C SER A 49 -3.506 -14.101 2.211 1.00 0.00 C ATOM 756 O SER A 49 -3.995 -15.065 2.799 1.00 0.00 O ATOM 757 CB SER A 49 -1.386 -13.942 3.540 1.00 0.00 C ATOM 758 OG SER A 49 0.028 -13.873 3.476 1.00 0.00 O ATOM 0 H SER A 49 -1.710 -11.831 2.103 1.00 0.00 H new ATOM 0 HA SER A 49 -1.578 -14.716 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.769 -13.110 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.687 -14.859 4.047 1.00 0.00 H new ATOM 0 HG SER A 49 0.398 -13.898 4.383 1.00 0.00 H new ATOM 764 N SER A 50 -4.243 -13.179 1.613 1.00 0.00 N ATOM 765 CA SER A 50 -5.689 -13.274 1.592 1.00 0.00 C ATOM 766 C SER A 50 -6.204 -13.359 0.160 1.00 0.00 C ATOM 767 O SER A 50 -5.863 -12.527 -0.677 1.00 0.00 O ATOM 768 CB SER A 50 -6.299 -12.051 2.283 1.00 0.00 C ATOM 769 OG SER A 50 -5.839 -11.935 3.621 1.00 0.00 O ATOM 0 H SER A 50 -3.863 -12.360 1.138 1.00 0.00 H new ATOM 0 HA SER A 50 -5.982 -14.180 2.123 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.041 -11.150 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.386 -12.130 2.275 1.00 0.00 H new ATOM 0 HG SER A 50 -6.442 -11.349 4.124 1.00 0.00 H new ATOM 775 N PRO A 51 -7.021 -14.381 -0.139 1.00 0.00 N ATOM 776 CA PRO A 51 -7.780 -14.438 -1.389 1.00 0.00 C ATOM 777 C PRO A 51 -9.025 -13.559 -1.300 1.00 0.00 C ATOM 778 O PRO A 51 -9.524 -13.039 -2.295 1.00 0.00 O ATOM 779 CB PRO A 51 -8.156 -15.917 -1.496 1.00 0.00 C ATOM 780 CG PRO A 51 -8.229 -16.392 -0.085 1.00 0.00 C ATOM 781 CD PRO A 51 -7.228 -15.581 0.696 1.00 0.00 C ATOM 0 HA PRO A 51 -7.223 -14.077 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.110 -16.047 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.411 -16.475 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.233 -16.259 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.999 -17.456 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.607 -15.321 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.298 -16.130 0.846 1.00 0.00 H new ATOM 789 N ALA A 52 -9.506 -13.410 -0.075 1.00 0.00 N ATOM 790 CA ALA A 52 -10.621 -12.539 0.243 1.00 0.00 C ATOM 791 C ALA A 52 -10.476 -12.080 1.684 1.00 0.00 C ATOM 792 O ALA A 52 -10.899 -12.772 2.610 1.00 0.00 O ATOM 793 CB ALA A 52 -11.945 -13.261 0.030 1.00 0.00 C ATOM 0 H ALA A 52 -9.126 -13.899 0.735 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.615 -11.672 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.769 -12.590 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.027 -13.572 -1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.989 -14.139 0.675 1.00 0.00 H new ATOM 799 N HIS A 53 -9.834 -10.935 1.871 1.00 0.00 N ATOM 800 CA HIS A 53 -9.512 -10.454 3.205 1.00 0.00 C ATOM 801 C HIS A 53 -10.775 -10.004 3.924 1.00 0.00 C ATOM 802 O HIS A 53 -11.507 -9.146 3.431 1.00 0.00 O ATOM 803 CB HIS A 53 -8.503 -9.303 3.127 1.00 0.00 C ATOM 804 CG HIS A 53 -7.846 -8.991 4.436 1.00 0.00 C ATOM 805 ND1 HIS A 53 -6.781 -9.714 4.933 1.00 0.00 N ATOM 806 CD2 HIS A 53 -8.106 -8.028 5.353 1.00 0.00 C ATOM 807 CE1 HIS A 53 -6.414 -9.208 6.094 1.00 0.00 C ATOM 808 NE2 HIS A 53 -7.201 -8.185 6.372 1.00 0.00 N ATOM 0 H HIS A 53 -9.526 -10.323 1.115 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.063 -11.271 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.735 -9.553 2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.011 -8.410 2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.880 -7.278 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.606 -9.569 6.713 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.145 -7.605 7.209 1.00 0.00 H new ATOM 817 N VAL A 54 -11.024 -10.598 5.085 1.00 0.00 N ATOM 818 CA VAL A 54 -12.224 -10.301 5.854 1.00 0.00 C ATOM 819 C VAL A 54 -12.288 -8.819 6.234 1.00 0.00 C ATOM 820 O VAL A 54 -11.393 -8.282 6.890 1.00 0.00 O ATOM 821 CB VAL A 54 -12.325 -11.191 7.122 1.00 0.00 C ATOM 822 CG1 VAL A 54 -11.101 -11.041 8.010 1.00 0.00 C ATOM 823 CG2 VAL A 54 -13.592 -10.877 7.902 1.00 0.00 C ATOM 0 H VAL A 54 -10.409 -11.289 5.514 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.078 -10.528 5.215 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.369 -12.228 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.208 -11.679 8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.210 -11.334 7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.006 -10.002 8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.642 -11.512 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -13.581 -9.831 8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.462 -11.063 7.272 1.00 0.00 H new ATOM 833 N ALA A 55 -13.340 -8.157 5.777 1.00 0.00 N ATOM 834 CA ALA A 55 -13.559 -6.758 6.093 1.00 0.00 C ATOM 835 C ALA A 55 -14.829 -6.601 6.917 1.00 0.00 C ATOM 836 O ALA A 55 -15.937 -6.597 6.377 1.00 0.00 O ATOM 837 CB ALA A 55 -13.640 -5.936 4.814 1.00 0.00 C ATOM 0 H ALA A 55 -14.058 -8.571 5.183 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.718 -6.392 6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.805 -4.888 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.707 -6.034 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.466 -6.297 4.202 1.00 0.00 H new ATOM 843 N THR A 56 -14.667 -6.507 8.225 1.00 0.00 N ATOM 844 CA THR A 56 -15.792 -6.347 9.123 1.00 0.00 C ATOM 845 C THR A 56 -15.702 -5.015 9.862 1.00 0.00 C ATOM 846 O THR A 56 -16.077 -3.980 9.268 1.00 0.00 O ATOM 847 CB THR A 56 -15.856 -7.515 10.130 1.00 0.00 C ATOM 848 OG1 THR A 56 -14.534 -7.841 10.584 1.00 0.00 O ATOM 849 CG2 THR A 56 -16.492 -8.747 9.497 1.00 0.00 C ATOM 850 OXT THR A 56 -15.233 -4.998 11.015 1.00 0.00 O ATOM 0 H THR A 56 -13.759 -6.539 8.689 1.00 0.00 H new ATOM 0 HA THR A 56 -16.706 -6.354 8.529 1.00 0.00 H new ATOM 0 HB THR A 56 -16.469 -7.202 10.975 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.103 -7.037 10.941 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.525 -9.555 10.227 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.505 -8.508 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.901 -9.060 8.636 1.00 0.00 H new TER 858 THR A 56