USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 39 GLN :FLIP amide:sc= 0 F(o=-12,f=-9.9) USER MOD Set 1.2: A 49 HIS :FLIP no HE2:sc= -9.93! C(o=-12!,f=-9.9!) USER MOD Set 2.1: A 12 CYS SG : rot 91:sc= -9.65! USER MOD Set 2.2: A 16 GLN : amide:sc= -14.7! C(o=-24!,f=-37!) USER MOD Set 2.3: A 24 GLN :FLIP amide:sc= -0.0932 F(o=-26,f=-24) USER MOD Single : A 1 MET CE :methyl 156:sc= -9.95! (180deg=-10.3!) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0733 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0.947 K(o=0.95,f=-0.29) USER MOD Single : A 8 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.038) USER MOD Single : A 10 MET CE :methyl -153:sc= -3.61 (180deg=-5.6!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 17 THR OG1 : rot 125:sc= -0.329 USER MOD Single : A 19 HIS : no HD1:sc= -0.365 K(o=-0.37,f=-0.88) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.194 F(o=-2,f=-0.19) USER MOD Single : A 29 GLN : amide:sc= -2.06! C(o=-2.1!,f=-4.4!) USER MOD Single : A 37 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3.6!) USER MOD Single : A 45 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.53) USER MOD Single : A 48 GLN : amide:sc= -0.409 K(o=-0.41,f=-3!) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.14 F(o=-3.2,f=-1.1) USER MOD Single : A 56 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.0084) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.550 0.638 2.371 1.00 0.00 N ATOM 2 CA MET A 1 13.450 1.120 1.492 1.00 0.00 C ATOM 3 C MET A 1 12.767 2.333 2.100 1.00 0.00 C ATOM 4 O MET A 1 12.882 2.601 3.277 1.00 0.00 O ATOM 5 CB MET A 1 12.455 -0.020 1.437 1.00 0.00 C ATOM 6 CG MET A 1 11.621 0.118 0.183 1.00 0.00 C ATOM 7 SD MET A 1 10.037 -0.704 0.409 1.00 0.00 S ATOM 8 CE MET A 1 9.484 -0.426 -1.278 1.00 0.00 C ATOM 0 H1 MET A 1 15.375 0.387 1.789 1.00 0.00 H new ATOM 0 H2 MET A 1 14.814 1.389 3.040 1.00 0.00 H new ATOM 0 H3 MET A 1 14.231 -0.199 2.899 1.00 0.00 H new ATOM 0 HA MET A 1 13.828 1.406 0.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.977 -0.977 1.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.815 -0.005 2.319 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.464 1.172 -0.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.149 -0.317 -0.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.738 -1.175 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.044 0.568 -1.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.334 -0.502 -1.957 1.00 0.00 H new ATOM 20 N GLN A 2 12.032 3.049 1.307 1.00 0.00 N ATOM 21 CA GLN A 2 11.305 4.227 1.825 1.00 0.00 C ATOM 22 C GLN A 2 10.058 4.415 1.022 1.00 0.00 C ATOM 23 O GLN A 2 9.990 4.073 -0.140 1.00 0.00 O ATOM 24 CB GLN A 2 12.240 5.391 1.633 1.00 0.00 C ATOM 25 CG GLN A 2 11.583 6.659 2.161 1.00 0.00 C ATOM 26 CD GLN A 2 12.550 7.834 2.012 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.470 7.984 2.793 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.385 8.674 1.030 1.00 0.00 N ATOM 0 H GLN A 2 11.903 2.865 0.312 1.00 0.00 H new ATOM 0 HA GLN A 2 11.018 4.122 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.178 5.209 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.483 5.507 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.663 6.860 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.309 6.530 3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.613 8.548 0.375 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.028 9.458 0.916 1.00 0.00 H new ATOM 37 N ILE A 3 9.039 4.879 1.645 1.00 0.00 N ATOM 38 CA ILE A 3 7.781 4.998 0.928 1.00 0.00 C ATOM 39 C ILE A 3 6.993 6.190 1.421 1.00 0.00 C ATOM 40 O ILE A 3 7.356 6.843 2.379 1.00 0.00 O ATOM 41 CB ILE A 3 7.053 3.698 1.276 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.194 3.900 2.545 1.00 0.00 C ATOM 43 CG2 ILE A 3 8.086 2.584 1.517 1.00 0.00 C ATOM 44 CD1 ILE A 3 6.186 2.641 3.421 1.00 0.00 C ATOM 0 H ILE A 3 9.026 5.180 2.619 1.00 0.00 H new ATOM 0 HA ILE A 3 7.915 5.144 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 3 6.401 3.416 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.582 4.742 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.173 4.153 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.570 1.657 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.681 2.438 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.740 2.867 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.573 2.817 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.774 1.806 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.205 2.404 3.727 1.00 0.00 H new ATOM 56 N LEU A 4 5.882 6.429 0.816 1.00 0.00 N ATOM 57 CA LEU A 4 5.032 7.516 1.294 1.00 0.00 C ATOM 58 C LEU A 4 3.650 6.951 1.575 1.00 0.00 C ATOM 59 O LEU A 4 2.910 6.622 0.673 1.00 0.00 O ATOM 60 CB LEU A 4 4.970 8.534 0.162 1.00 0.00 C ATOM 61 CG LEU A 4 4.143 9.731 0.631 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.670 9.350 0.561 1.00 0.00 C ATOM 63 CD2 LEU A 4 4.520 10.074 2.070 1.00 0.00 C ATOM 0 H LEU A 4 5.528 5.915 0.009 1.00 0.00 H new ATOM 0 HA LEU A 4 5.411 7.978 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.975 8.853 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.521 8.087 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 4 4.335 10.598 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.061 10.191 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.409 9.094 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.485 8.492 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.932 10.927 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.318 9.217 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.580 10.322 2.119 1.00 0.00 H new ATOM 75 N PHE A 5 3.290 6.838 2.811 1.00 0.00 N ATOM 76 CA PHE A 5 1.948 6.298 3.127 1.00 0.00 C ATOM 77 C PHE A 5 1.030 7.468 3.518 1.00 0.00 C ATOM 78 O PHE A 5 1.113 7.990 4.608 1.00 0.00 O ATOM 79 CB PHE A 5 2.190 5.327 4.295 1.00 0.00 C ATOM 80 CG PHE A 5 0.903 4.635 4.712 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.251 5.371 5.042 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.870 3.233 4.768 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.420 4.704 5.422 1.00 0.00 C ATOM 84 CE2 PHE A 5 -0.303 2.572 5.148 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.447 3.306 5.473 1.00 0.00 C ATOM 0 H PHE A 5 3.862 7.094 3.616 1.00 0.00 H new ATOM 0 HA PHE A 5 1.464 5.785 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.929 4.581 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.604 5.871 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.233 6.450 5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.752 2.663 4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.304 5.269 5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.324 1.493 5.190 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.352 2.794 5.764 1.00 0.00 H new ATOM 95 N ASN A 6 0.163 7.895 2.637 1.00 0.00 N ATOM 96 CA ASN A 6 -0.736 9.040 2.970 1.00 0.00 C ATOM 97 C ASN A 6 0.095 10.273 3.287 1.00 0.00 C ATOM 98 O ASN A 6 0.028 10.854 4.353 1.00 0.00 O ATOM 99 CB ASN A 6 -1.571 8.595 4.171 1.00 0.00 C ATOM 100 CG ASN A 6 -2.786 9.516 4.316 1.00 0.00 C ATOM 101 OD1 ASN A 6 -3.906 9.109 4.077 1.00 0.00 O ATOM 102 ND2 ASN A 6 -2.605 10.752 4.700 1.00 0.00 N ATOM 0 H ASN A 6 0.039 7.502 1.704 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.387 9.307 2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.897 7.563 4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.968 8.625 5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.405 11.377 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.664 11.091 4.900 1.00 0.00 H new ATOM 109 N ASP A 7 0.882 10.651 2.342 1.00 0.00 N ATOM 110 CA ASP A 7 1.768 11.833 2.498 1.00 0.00 C ATOM 111 C ASP A 7 2.664 11.648 3.718 1.00 0.00 C ATOM 112 O ASP A 7 3.222 12.591 4.243 1.00 0.00 O ATOM 113 CB ASP A 7 0.864 13.041 2.675 1.00 0.00 C ATOM 114 CG ASP A 7 -0.393 12.902 1.813 1.00 0.00 C ATOM 115 OD1 ASP A 7 -0.341 12.178 0.833 1.00 0.00 O ATOM 116 OD2 ASP A 7 -1.389 13.523 2.150 1.00 0.00 O ATOM 0 H ASP A 7 0.957 10.182 1.439 1.00 0.00 H new ATOM 0 HA ASP A 7 2.414 11.963 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.584 13.142 3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.402 13.948 2.400 1.00 0.00 H new ATOM 121 N GLN A 8 2.832 10.432 4.152 1.00 0.00 N ATOM 122 CA GLN A 8 3.725 10.174 5.319 1.00 0.00 C ATOM 123 C GLN A 8 4.911 9.337 4.866 1.00 0.00 C ATOM 124 O GLN A 8 4.757 8.247 4.367 1.00 0.00 O ATOM 125 CB GLN A 8 2.883 9.399 6.316 1.00 0.00 C ATOM 126 CG GLN A 8 1.630 10.206 6.627 1.00 0.00 C ATOM 127 CD GLN A 8 1.738 10.783 8.037 1.00 0.00 C ATOM 128 OE1 GLN A 8 1.602 11.975 8.230 1.00 0.00 O ATOM 129 NE2 GLN A 8 1.981 9.983 9.038 1.00 0.00 N ATOM 0 H GLN A 8 2.391 9.604 3.751 1.00 0.00 H new ATOM 0 HA GLN A 8 4.112 11.094 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.614 8.425 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.451 9.216 7.228 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.512 11.010 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.747 9.573 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.095 8.983 8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.057 10.358 9.984 1.00 0.00 H new ATOM 138 N ALA A 9 6.092 9.838 5.014 1.00 0.00 N ATOM 139 CA ALA A 9 7.272 9.057 4.554 1.00 0.00 C ATOM 140 C ALA A 9 7.517 7.841 5.455 1.00 0.00 C ATOM 141 O ALA A 9 7.186 7.837 6.623 1.00 0.00 O ATOM 142 CB ALA A 9 8.438 10.031 4.617 1.00 0.00 C ATOM 0 H ALA A 9 6.299 10.746 5.429 1.00 0.00 H new ATOM 0 HA ALA A 9 7.129 8.658 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.349 9.529 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.238 10.880 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.563 10.383 5.641 1.00 0.00 H new ATOM 148 N MET A 10 8.075 6.800 4.897 1.00 0.00 N ATOM 149 CA MET A 10 8.329 5.547 5.689 1.00 0.00 C ATOM 150 C MET A 10 9.594 4.844 5.238 1.00 0.00 C ATOM 151 O MET A 10 10.250 5.256 4.314 1.00 0.00 O ATOM 152 CB MET A 10 7.200 4.618 5.307 1.00 0.00 C ATOM 153 CG MET A 10 6.762 3.777 6.496 1.00 0.00 C ATOM 154 SD MET A 10 5.536 4.690 7.466 1.00 0.00 S ATOM 155 CE MET A 10 4.074 4.072 6.601 1.00 0.00 C ATOM 0 H MET A 10 8.370 6.757 3.921 1.00 0.00 H new ATOM 0 HA MET A 10 8.409 5.788 6.749 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.355 5.199 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.520 3.966 4.494 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.339 2.834 6.151 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.623 3.531 7.118 1.00 0.00 H new ATOM 0 HE1 MET A 10 3.271 4.806 6.673 1.00 0.00 H new ATOM 0 HE2 MET A 10 4.317 3.901 5.552 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.751 3.135 7.056 1.00 0.00 H new ATOM 165 N GLN A 11 9.879 3.725 5.846 1.00 0.00 N ATOM 166 CA GLN A 11 11.035 2.908 5.413 1.00 0.00 C ATOM 167 C GLN A 11 10.743 1.446 5.716 1.00 0.00 C ATOM 168 O GLN A 11 10.488 1.060 6.839 1.00 0.00 O ATOM 169 CB GLN A 11 12.277 3.359 6.167 1.00 0.00 C ATOM 170 CG GLN A 11 12.008 4.644 6.955 1.00 0.00 C ATOM 171 CD GLN A 11 13.153 4.898 7.938 1.00 0.00 C ATOM 172 OE1 GLN A 11 14.266 4.464 7.720 1.00 0.00 O ATOM 173 NE2 GLN A 11 12.926 5.592 9.019 1.00 0.00 N ATOM 0 H GLN A 11 9.352 3.343 6.631 1.00 0.00 H new ATOM 0 HA GLN A 11 11.205 3.030 4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.598 2.571 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.093 3.524 5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.910 5.487 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.065 4.560 7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.992 5.957 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.683 5.769 9.679 1.00 0.00 H new ATOM 182 N CYS A 12 10.760 0.649 4.707 1.00 0.00 N ATOM 183 CA CYS A 12 10.461 -0.807 4.879 1.00 0.00 C ATOM 184 C CYS A 12 11.264 -1.653 3.895 1.00 0.00 C ATOM 185 O CYS A 12 12.399 -1.357 3.585 1.00 0.00 O ATOM 186 CB CYS A 12 8.956 -0.911 4.628 1.00 0.00 C ATOM 187 SG CYS A 12 8.550 -0.079 3.083 1.00 0.00 S ATOM 0 H CYS A 12 10.970 0.934 3.750 1.00 0.00 H new ATOM 0 HA CYS A 12 10.736 -1.181 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.655 -1.958 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.406 -0.459 5.453 1.00 0.00 H new ATOM 0 HG CYS A 12 8.618 -0.929 2.102 1.00 0.00 H new ATOM 193 N ALA A 13 10.714 -2.745 3.465 1.00 0.00 N ATOM 194 CA ALA A 13 11.461 -3.642 2.554 1.00 0.00 C ATOM 195 C ALA A 13 11.206 -3.374 1.071 1.00 0.00 C ATOM 196 O ALA A 13 10.143 -3.637 0.546 1.00 0.00 O ATOM 197 CB ALA A 13 11.009 -5.053 2.919 1.00 0.00 C ATOM 0 H ALA A 13 9.773 -3.057 3.707 1.00 0.00 H new ATOM 0 HA ALA A 13 12.532 -3.483 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.522 -5.775 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.249 -5.253 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.933 -5.140 2.771 1.00 0.00 H new ATOM 203 N ALA A 14 12.206 -2.901 0.387 1.00 0.00 N ATOM 204 CA ALA A 14 12.068 -2.672 -1.077 1.00 0.00 C ATOM 205 C ALA A 14 11.814 -4.005 -1.780 1.00 0.00 C ATOM 206 O ALA A 14 12.351 -5.028 -1.406 1.00 0.00 O ATOM 207 CB ALA A 14 13.408 -2.108 -1.524 1.00 0.00 C ATOM 0 H ALA A 14 13.117 -2.662 0.779 1.00 0.00 H new ATOM 0 HA ALA A 14 11.242 -2.001 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.382 -1.914 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.607 -1.178 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.197 -2.828 -1.305 1.00 0.00 H new ATOM 213 N GLY A 15 11.001 -3.999 -2.791 1.00 0.00 N ATOM 214 CA GLY A 15 10.702 -5.252 -3.524 1.00 0.00 C ATOM 215 C GLY A 15 9.650 -6.047 -2.749 1.00 0.00 C ATOM 216 O GLY A 15 9.331 -7.174 -3.076 1.00 0.00 O ATOM 0 H GLY A 15 10.525 -3.169 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.338 -5.024 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.609 -5.844 -3.642 1.00 0.00 H new ATOM 220 N GLN A 16 9.113 -5.461 -1.716 1.00 0.00 N ATOM 221 CA GLN A 16 8.084 -6.157 -0.899 1.00 0.00 C ATOM 222 C GLN A 16 6.678 -5.685 -1.316 1.00 0.00 C ATOM 223 O GLN A 16 6.400 -4.506 -1.317 1.00 0.00 O ATOM 224 CB GLN A 16 8.425 -5.729 0.530 1.00 0.00 C ATOM 225 CG GLN A 16 7.717 -4.415 0.882 1.00 0.00 C ATOM 226 CD GLN A 16 8.224 -3.895 2.232 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.500 -2.720 2.381 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.361 -4.724 3.230 1.00 0.00 N ATOM 0 H GLN A 16 9.347 -4.520 -1.401 1.00 0.00 H new ATOM 0 HA GLN A 16 8.082 -7.241 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.126 -6.509 1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.503 -5.606 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.900 -3.673 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.639 -4.572 0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.131 -5.710 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.699 -4.386 4.131 1.00 0.00 H new ATOM 237 N THR A 17 5.796 -6.582 -1.690 1.00 0.00 N ATOM 238 CA THR A 17 4.428 -6.145 -2.123 1.00 0.00 C ATOM 239 C THR A 17 3.737 -5.267 -1.100 1.00 0.00 C ATOM 240 O THR A 17 4.284 -4.866 -0.101 1.00 0.00 O ATOM 241 CB THR A 17 3.549 -7.388 -2.235 1.00 0.00 C ATOM 242 OG1 THR A 17 3.095 -7.749 -0.938 1.00 0.00 O ATOM 243 CG2 THR A 17 4.293 -8.564 -2.831 1.00 0.00 C ATOM 0 H THR A 17 5.961 -7.588 -1.715 1.00 0.00 H new ATOM 0 HA THR A 17 4.554 -5.594 -3.055 1.00 0.00 H new ATOM 0 HB THR A 17 2.716 -7.147 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.116 -7.801 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.626 -9.424 -2.890 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.641 -8.305 -3.831 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.148 -8.810 -2.201 1.00 0.00 H new ATOM 251 N VAL A 18 2.484 -5.047 -1.363 1.00 0.00 N ATOM 252 CA VAL A 18 1.602 -4.271 -0.460 1.00 0.00 C ATOM 253 C VAL A 18 1.247 -5.145 0.702 1.00 0.00 C ATOM 254 O VAL A 18 1.515 -4.836 1.841 1.00 0.00 O ATOM 255 CB VAL A 18 0.378 -4.094 -1.273 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.639 -3.292 -0.491 1.00 0.00 C ATOM 257 CG2 VAL A 18 0.754 -3.429 -2.580 1.00 0.00 C ATOM 0 H VAL A 18 2.018 -5.389 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 18 2.043 -3.341 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.079 -5.057 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.540 -3.163 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.889 -3.820 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.222 -2.315 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.140 -3.293 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.207 -2.458 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.466 -4.057 -3.116 1.00 0.00 H new ATOM 267 N HIS A 19 0.710 -6.308 0.405 1.00 0.00 N ATOM 268 CA HIS A 19 0.430 -7.258 1.490 1.00 0.00 C ATOM 269 C HIS A 19 1.725 -7.331 2.276 1.00 0.00 C ATOM 270 O HIS A 19 1.752 -7.568 3.463 1.00 0.00 O ATOM 271 CB HIS A 19 0.148 -8.574 0.768 1.00 0.00 C ATOM 272 CG HIS A 19 -0.382 -9.595 1.743 1.00 0.00 C ATOM 273 ND1 HIS A 19 -0.627 -10.910 1.378 1.00 0.00 N ATOM 274 CD2 HIS A 19 -0.719 -9.509 3.073 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.090 -11.555 2.465 1.00 0.00 C ATOM 276 NE2 HIS A 19 -1.166 -10.747 3.526 1.00 0.00 N ATOM 0 H HIS A 19 0.462 -6.622 -0.533 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.396 -7.005 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.576 -8.412 -0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.060 -8.945 0.301 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.648 -8.616 3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.366 -12.599 2.478 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.483 -10.986 4.466 1.00 0.00 H new ATOM 284 N GLU A 20 2.803 -7.053 1.579 1.00 0.00 N ATOM 285 CA GLU A 20 4.138 -7.024 2.230 1.00 0.00 C ATOM 286 C GLU A 20 4.380 -5.643 2.865 1.00 0.00 C ATOM 287 O GLU A 20 4.926 -5.536 3.944 1.00 0.00 O ATOM 288 CB GLU A 20 5.131 -7.318 1.105 1.00 0.00 C ATOM 289 CG GLU A 20 5.189 -8.828 0.867 1.00 0.00 C ATOM 290 CD GLU A 20 6.535 -9.370 1.350 1.00 0.00 C ATOM 291 OE1 GLU A 20 6.975 -8.951 2.407 1.00 0.00 O ATOM 292 OE2 GLU A 20 7.102 -10.199 0.656 1.00 0.00 O ATOM 0 H GLU A 20 2.807 -6.845 0.581 1.00 0.00 H new ATOM 0 HA GLU A 20 4.236 -7.750 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.827 -6.805 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.119 -6.941 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.375 -9.322 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.057 -9.045 -0.193 1.00 0.00 H new ATOM 299 N LEU A 21 3.967 -4.585 2.207 1.00 0.00 N ATOM 300 CA LEU A 21 4.165 -3.216 2.785 1.00 0.00 C ATOM 301 C LEU A 21 3.243 -3.067 3.995 1.00 0.00 C ATOM 302 O LEU A 21 3.663 -2.797 5.098 1.00 0.00 O ATOM 303 CB LEU A 21 3.736 -2.249 1.665 1.00 0.00 C ATOM 304 CG LEU A 21 4.451 -0.889 1.777 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.929 -0.091 2.974 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.952 -1.099 1.938 1.00 0.00 C ATOM 0 H LEU A 21 3.503 -4.609 1.299 1.00 0.00 H new ATOM 0 HA LEU A 21 5.188 -3.026 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.955 -2.696 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.658 -2.097 1.709 1.00 0.00 H new ATOM 0 HG LEU A 21 4.250 -0.330 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.451 0.864 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.860 0.085 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.104 -0.654 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.448 -0.132 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.143 -1.679 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.339 -1.636 1.072 1.00 0.00 H new ATOM 318 N LEU A 22 1.981 -3.277 3.784 1.00 0.00 N ATOM 319 CA LEU A 22 0.998 -3.177 4.890 1.00 0.00 C ATOM 320 C LEU A 22 1.458 -4.034 6.051 1.00 0.00 C ATOM 321 O LEU A 22 1.564 -3.591 7.176 1.00 0.00 O ATOM 322 CB LEU A 22 -0.281 -3.759 4.292 1.00 0.00 C ATOM 323 CG LEU A 22 -0.703 -2.928 3.088 1.00 0.00 C ATOM 324 CD1 LEU A 22 -2.110 -3.338 2.661 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.696 -1.455 3.477 1.00 0.00 C ATOM 0 H LEU A 22 1.581 -3.518 2.877 1.00 0.00 H new ATOM 0 HA LEU A 22 0.869 -2.160 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.117 -4.794 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.075 -3.765 5.039 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.012 -3.093 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.416 -2.745 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.116 -4.395 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.804 -3.167 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.997 -0.851 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.393 -1.292 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.307 -1.166 3.790 1.00 0.00 H new ATOM 337 N GLU A 23 1.736 -5.265 5.769 1.00 0.00 N ATOM 338 CA GLU A 23 2.201 -6.185 6.843 1.00 0.00 C ATOM 339 C GLU A 23 3.392 -5.571 7.586 1.00 0.00 C ATOM 340 O GLU A 23 3.419 -5.528 8.800 1.00 0.00 O ATOM 341 CB GLU A 23 2.626 -7.448 6.111 1.00 0.00 C ATOM 342 CG GLU A 23 1.485 -8.470 6.161 1.00 0.00 C ATOM 343 CD GLU A 23 1.941 -9.780 5.514 1.00 0.00 C ATOM 344 OE1 GLU A 23 3.136 -9.942 5.335 1.00 0.00 O ATOM 345 OE2 GLU A 23 1.087 -10.596 5.207 1.00 0.00 O ATOM 0 H GLU A 23 1.663 -5.681 4.841 1.00 0.00 H new ATOM 0 HA GLU A 23 1.429 -6.380 7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.876 -7.216 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.523 -7.864 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.187 -8.647 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.611 -8.080 5.640 1.00 0.00 H new ATOM 352 N GLN A 24 4.370 -5.078 6.870 1.00 0.00 N ATOM 353 CA GLN A 24 5.542 -4.455 7.551 1.00 0.00 C ATOM 354 C GLN A 24 5.044 -3.292 8.388 1.00 0.00 C ATOM 355 O GLN A 24 5.389 -3.116 9.539 1.00 0.00 O ATOM 356 CB GLN A 24 6.405 -3.914 6.410 1.00 0.00 C ATOM 357 CG GLN A 24 7.759 -3.468 6.954 1.00 0.00 C ATOM 358 CD GLN A 24 8.642 -4.692 7.206 1.00 0.00 C ATOM 359 OE1 GLN A 24 8.719 -5.631 6.299 1.00 0.00 O flip ATOM 360 NE2 GLN A 24 9.267 -4.797 8.241 1.00 0.00 N flip ATOM 0 H GLN A 24 4.407 -5.080 5.851 1.00 0.00 H new ATOM 0 HA GLN A 24 6.085 -5.149 8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.543 -4.683 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.902 -3.076 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.244 -2.798 6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.624 -2.909 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.208 -4.065 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.852 -5.617 8.403 1.00 0.00 H new ATOM 369 N LEU A 25 4.221 -2.504 7.781 1.00 0.00 N ATOM 370 CA LEU A 25 3.637 -1.324 8.442 1.00 0.00 C ATOM 371 C LEU A 25 2.644 -1.768 9.521 1.00 0.00 C ATOM 372 O LEU A 25 2.272 -1.005 10.388 1.00 0.00 O ATOM 373 CB LEU A 25 2.957 -0.603 7.283 1.00 0.00 C ATOM 374 CG LEU A 25 4.006 0.244 6.547 1.00 0.00 C ATOM 375 CD1 LEU A 25 5.050 -0.623 5.843 1.00 0.00 C ATOM 376 CD2 LEU A 25 3.325 1.133 5.504 1.00 0.00 C ATOM 0 H LEU A 25 3.918 -2.636 6.816 1.00 0.00 H new ATOM 0 HA LEU A 25 4.355 -0.688 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.507 -1.324 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.151 0.031 7.653 1.00 0.00 H new ATOM 0 HG LEU A 25 4.510 0.853 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.772 0.017 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.566 -1.240 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.557 -1.265 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.077 1.730 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.798 0.509 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.614 1.795 5.998 1.00 0.00 H new ATOM 388 N ASP A 26 2.210 -3.003 9.438 1.00 0.00 N ATOM 389 CA ASP A 26 1.226 -3.583 10.406 1.00 0.00 C ATOM 390 C ASP A 26 -0.175 -3.209 9.943 1.00 0.00 C ATOM 391 O ASP A 26 -1.033 -2.826 10.715 1.00 0.00 O ATOM 392 CB ASP A 26 1.556 -2.971 11.766 1.00 0.00 C ATOM 393 CG ASP A 26 0.956 -3.828 12.878 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.763 -5.011 12.650 1.00 0.00 O ATOM 395 OD2 ASP A 26 0.706 -3.288 13.943 1.00 0.00 O ATOM 0 H ASP A 26 2.509 -3.655 8.713 1.00 0.00 H new ATOM 0 HA ASP A 26 1.276 -4.670 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.637 -2.901 11.891 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.162 -1.956 11.824 1.00 0.00 H new ATOM 400 N GLN A 27 -0.383 -3.303 8.659 1.00 0.00 N ATOM 401 CA GLN A 27 -1.696 -2.941 8.062 1.00 0.00 C ATOM 402 C GLN A 27 -2.236 -4.128 7.260 1.00 0.00 C ATOM 403 O GLN A 27 -1.481 -4.914 6.723 1.00 0.00 O ATOM 404 CB GLN A 27 -1.371 -1.774 7.119 1.00 0.00 C ATOM 405 CG GLN A 27 -0.283 -0.879 7.742 1.00 0.00 C ATOM 406 CD GLN A 27 -0.829 -0.180 8.996 1.00 0.00 C ATOM 407 OE1 GLN A 27 -2.113 -0.195 9.247 1.00 0.00 O flip ATOM 408 NE2 GLN A 27 -0.076 0.389 9.761 1.00 0.00 N flip ATOM 0 H GLN A 27 0.316 -3.621 7.987 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.447 -2.679 8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.031 -2.157 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.270 -1.188 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.589 -1.480 8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.047 -0.136 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.926 0.405 9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.446 0.851 10.592 1.00 0.00 H new ATOM 417 N ARG A 28 -3.528 -4.272 7.169 1.00 0.00 N ATOM 418 CA ARG A 28 -4.088 -5.411 6.399 1.00 0.00 C ATOM 419 C ARG A 28 -5.099 -4.893 5.368 1.00 0.00 C ATOM 420 O ARG A 28 -4.745 -4.175 4.453 1.00 0.00 O ATOM 421 CB ARG A 28 -4.757 -6.299 7.448 1.00 0.00 C ATOM 422 CG ARG A 28 -3.707 -6.776 8.457 1.00 0.00 C ATOM 423 CD ARG A 28 -3.361 -8.237 8.174 1.00 0.00 C ATOM 424 NE ARG A 28 -4.603 -8.994 8.491 1.00 0.00 N ATOM 425 CZ ARG A 28 -4.930 -10.039 7.783 1.00 0.00 C ATOM 426 NH1 ARG A 28 -5.247 -9.900 6.527 1.00 0.00 N ATOM 427 NH2 ARG A 28 -4.941 -11.223 8.332 1.00 0.00 N ATOM 0 H ARG A 28 -4.217 -3.651 7.594 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.332 -5.962 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.544 -5.746 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.230 -7.155 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.812 -6.158 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.088 -6.671 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.067 -8.379 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.526 -8.572 8.790 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.199 -8.695 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.239 -8.974 6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.503 -10.717 5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.694 -11.331 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.197 -12.040 7.777 1.00 0.00 H new ATOM 441 N GLN A 29 -6.350 -5.243 5.502 1.00 0.00 N ATOM 442 CA GLN A 29 -7.366 -4.762 4.523 1.00 0.00 C ATOM 443 C GLN A 29 -8.733 -4.629 5.195 1.00 0.00 C ATOM 444 O GLN A 29 -9.126 -3.561 5.622 1.00 0.00 O ATOM 445 CB GLN A 29 -7.427 -5.837 3.439 1.00 0.00 C ATOM 446 CG GLN A 29 -6.071 -5.968 2.752 1.00 0.00 C ATOM 447 CD GLN A 29 -6.155 -7.070 1.701 1.00 0.00 C ATOM 448 OE1 GLN A 29 -6.748 -6.885 0.658 1.00 0.00 O ATOM 449 NE2 GLN A 29 -5.591 -8.222 1.935 1.00 0.00 N ATOM 0 H GLN A 29 -6.711 -5.840 6.246 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.103 -3.784 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.714 -6.792 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.192 -5.581 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.791 -5.023 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.298 -6.203 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.093 -8.377 2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.648 -8.968 1.242 1.00 0.00 H new ATOM 458 N ALA A 30 -9.468 -5.706 5.275 1.00 0.00 N ATOM 459 CA ALA A 30 -10.818 -5.637 5.895 1.00 0.00 C ATOM 460 C ALA A 30 -11.702 -4.746 5.044 1.00 0.00 C ATOM 461 O ALA A 30 -12.752 -4.302 5.467 1.00 0.00 O ATOM 462 CB ALA A 30 -10.610 -4.987 7.251 1.00 0.00 C ATOM 0 H ALA A 30 -9.190 -6.628 4.938 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.285 -6.618 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.567 -4.904 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.930 -5.596 7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.183 -3.993 7.116 1.00 0.00 H new ATOM 468 N GLY A 31 -11.276 -4.462 3.852 1.00 0.00 N ATOM 469 CA GLY A 31 -12.080 -3.584 2.987 1.00 0.00 C ATOM 470 C GLY A 31 -11.279 -2.324 2.664 1.00 0.00 C ATOM 471 O GLY A 31 -11.836 -1.271 2.432 1.00 0.00 O ATOM 0 H GLY A 31 -10.405 -4.802 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.347 -4.105 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.013 -3.318 3.485 1.00 0.00 H new ATOM 475 N ALA A 32 -9.972 -2.412 2.663 1.00 0.00 N ATOM 476 CA ALA A 32 -9.158 -1.193 2.373 1.00 0.00 C ATOM 477 C ALA A 32 -8.638 -1.193 0.939 1.00 0.00 C ATOM 478 O ALA A 32 -8.596 -2.207 0.271 1.00 0.00 O ATOM 479 CB ALA A 32 -7.954 -1.253 3.320 1.00 0.00 C ATOM 0 H ALA A 32 -9.440 -3.263 2.848 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.766 -0.299 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.318 -0.384 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.303 -1.256 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.384 -2.162 3.127 1.00 0.00 H new ATOM 485 N ALA A 33 -8.197 -0.056 0.486 1.00 0.00 N ATOM 486 CA ALA A 33 -7.623 0.044 -0.885 1.00 0.00 C ATOM 487 C ALA A 33 -6.533 1.114 -0.868 1.00 0.00 C ATOM 488 O ALA A 33 -6.467 1.905 0.047 1.00 0.00 O ATOM 489 CB ALA A 33 -8.781 0.443 -1.791 1.00 0.00 C ATOM 0 H ALA A 33 -8.209 0.818 1.011 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.174 -0.886 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.425 0.534 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.560 -0.318 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.188 1.399 -1.462 1.00 0.00 H new ATOM 495 N LEU A 34 -5.648 1.136 -1.826 1.00 0.00 N ATOM 496 CA LEU A 34 -4.564 2.158 -1.766 1.00 0.00 C ATOM 497 C LEU A 34 -4.109 2.583 -3.171 1.00 0.00 C ATOM 498 O LEU A 34 -4.128 1.802 -4.100 1.00 0.00 O ATOM 499 CB LEU A 34 -3.456 1.433 -0.976 1.00 0.00 C ATOM 500 CG LEU A 34 -2.095 1.496 -1.684 1.00 0.00 C ATOM 501 CD1 LEU A 34 -0.995 1.387 -0.633 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.962 0.332 -2.665 1.00 0.00 C ATOM 0 H LEU A 34 -5.626 0.508 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.870 3.093 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.368 1.880 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.739 0.390 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.011 2.436 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.021 1.430 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.084 2.212 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.093 0.441 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.994 0.385 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.041 -0.611 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.756 0.391 -3.409 1.00 0.00 H new ATOM 514 N ALA A 35 -3.671 3.811 -3.329 1.00 0.00 N ATOM 515 CA ALA A 35 -3.187 4.246 -4.674 1.00 0.00 C ATOM 516 C ALA A 35 -1.693 4.557 -4.593 1.00 0.00 C ATOM 517 O ALA A 35 -1.262 5.447 -3.890 1.00 0.00 O ATOM 518 CB ALA A 35 -3.988 5.497 -5.047 1.00 0.00 C ATOM 0 H ALA A 35 -3.629 4.519 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.326 3.471 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.669 5.855 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.050 5.253 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.815 6.275 -4.303 1.00 0.00 H new ATOM 524 N ILE A 36 -0.895 3.820 -5.300 1.00 0.00 N ATOM 525 CA ILE A 36 0.570 4.068 -5.254 1.00 0.00 C ATOM 526 C ILE A 36 0.992 4.817 -6.520 1.00 0.00 C ATOM 527 O ILE A 36 0.550 4.505 -7.597 1.00 0.00 O ATOM 528 CB ILE A 36 1.195 2.681 -5.231 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.696 1.924 -4.000 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.715 2.819 -5.167 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.441 0.594 -3.888 1.00 0.00 C ATOM 0 H ILE A 36 -1.190 3.056 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 36 0.874 4.667 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 36 0.916 2.133 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.857 2.521 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.377 1.748 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.170 1.829 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.068 3.366 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.993 3.361 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.087 0.052 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.257 -0.002 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.510 0.783 -3.791 1.00 0.00 H new ATOM 543 N ASN A 37 1.828 5.802 -6.416 1.00 0.00 N ATOM 544 CA ASN A 37 2.234 6.537 -7.649 1.00 0.00 C ATOM 545 C ASN A 37 0.984 6.979 -8.423 1.00 0.00 C ATOM 546 O ASN A 37 1.029 7.203 -9.613 1.00 0.00 O ATOM 547 CB ASN A 37 3.045 5.528 -8.471 1.00 0.00 C ATOM 548 CG ASN A 37 4.463 5.439 -7.914 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.893 6.311 -7.186 1.00 0.00 O ATOM 550 ND2 ASN A 37 5.213 4.418 -8.229 1.00 0.00 N ATOM 0 H ASN A 37 2.247 6.132 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 37 2.813 7.433 -7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.568 4.549 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.072 5.834 -9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.163 4.351 -7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.849 3.687 -8.841 1.00 0.00 H new ATOM 557 N GLN A 38 -0.120 7.110 -7.729 1.00 0.00 N ATOM 558 CA GLN A 38 -1.416 7.552 -8.353 1.00 0.00 C ATOM 559 C GLN A 38 -2.154 6.380 -9.013 1.00 0.00 C ATOM 560 O GLN A 38 -3.282 6.526 -9.442 1.00 0.00 O ATOM 561 CB GLN A 38 -1.065 8.664 -9.363 1.00 0.00 C ATOM 562 CG GLN A 38 -0.970 8.118 -10.795 1.00 0.00 C ATOM 563 CD GLN A 38 0.191 8.801 -11.523 1.00 0.00 C ATOM 564 OE1 GLN A 38 0.685 9.818 -11.079 1.00 0.00 O ATOM 565 NE2 GLN A 38 0.647 8.281 -12.630 1.00 0.00 N ATOM 0 H GLN A 38 -0.182 6.925 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.102 7.932 -7.596 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.822 9.447 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.116 9.123 -9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.817 7.039 -10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.904 8.298 -11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.231 7.427 -13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.419 8.729 -13.124 1.00 0.00 H new ATOM 574 N GLN A 39 -1.565 5.215 -9.072 1.00 0.00 N ATOM 575 CA GLN A 39 -2.302 4.069 -9.674 1.00 0.00 C ATOM 576 C GLN A 39 -3.036 3.325 -8.564 1.00 0.00 C ATOM 577 O GLN A 39 -2.434 2.677 -7.731 1.00 0.00 O ATOM 578 CB GLN A 39 -1.265 3.154 -10.346 1.00 0.00 C ATOM 579 CG GLN A 39 -0.076 2.905 -9.419 1.00 0.00 C ATOM 580 CD GLN A 39 0.586 1.575 -9.789 1.00 0.00 C ATOM 581 OE1 GLN A 39 -0.062 0.462 -9.590 1.00 0.00 O flip ATOM 582 NE2 GLN A 39 1.702 1.547 -10.266 1.00 0.00 N flip ATOM 0 H GLN A 39 -0.624 5.010 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.032 4.402 -10.412 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.730 2.204 -10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.919 3.610 -11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.644 3.719 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.408 2.882 -8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.212 2.417 -10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.130 0.654 -10.510 1.00 0.00 H new ATOM 591 N ILE A 40 -4.334 3.420 -8.538 1.00 0.00 N ATOM 592 CA ILE A 40 -5.101 2.725 -7.468 1.00 0.00 C ATOM 593 C ILE A 40 -5.113 1.225 -7.739 1.00 0.00 C ATOM 594 O ILE A 40 -5.714 0.759 -8.686 1.00 0.00 O ATOM 595 CB ILE A 40 -6.522 3.282 -7.562 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.580 4.679 -6.937 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.485 2.355 -6.809 1.00 0.00 C ATOM 598 CD1 ILE A 40 -5.855 5.685 -7.833 1.00 0.00 C ATOM 0 H ILE A 40 -4.896 3.946 -9.207 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.666 2.883 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.810 3.344 -8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.618 4.983 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.121 4.663 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.498 2.751 -6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.455 1.360 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.187 2.294 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.902 6.675 -7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.813 5.387 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.333 5.711 -8.812 1.00 0.00 H new ATOM 610 N VAL A 41 -4.456 0.462 -6.914 1.00 0.00 N ATOM 611 CA VAL A 41 -4.441 -1.003 -7.138 1.00 0.00 C ATOM 612 C VAL A 41 -5.455 -1.678 -6.260 1.00 0.00 C ATOM 613 O VAL A 41 -5.670 -1.285 -5.132 1.00 0.00 O ATOM 614 CB VAL A 41 -3.079 -1.490 -6.711 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.984 -2.989 -7.000 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.011 -0.731 -7.490 1.00 0.00 C ATOM 0 H VAL A 41 -3.933 0.788 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.664 -1.224 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.927 -1.317 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.004 -3.357 -6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.758 -3.517 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.122 -3.163 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.023 -1.078 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.145 -0.907 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.100 0.336 -7.284 1.00 0.00 H new ATOM 626 N PRO A 42 -6.027 -2.695 -6.795 1.00 0.00 N ATOM 627 CA PRO A 42 -7.004 -3.462 -6.031 1.00 0.00 C ATOM 628 C PRO A 42 -6.349 -4.306 -4.956 1.00 0.00 C ATOM 629 O PRO A 42 -5.502 -5.142 -5.200 1.00 0.00 O ATOM 630 CB PRO A 42 -7.662 -4.332 -7.056 1.00 0.00 C ATOM 631 CG PRO A 42 -6.676 -4.462 -8.168 1.00 0.00 C ATOM 632 CD PRO A 42 -5.836 -3.220 -8.152 1.00 0.00 C ATOM 0 HA PRO A 42 -7.704 -2.815 -5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.913 -5.307 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.593 -3.887 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.057 -5.349 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.186 -4.571 -9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.788 -3.442 -8.353 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.161 -2.506 -8.908 1.00 0.00 H new ATOM 640 N ARG A 43 -6.790 -4.072 -3.776 1.00 0.00 N ATOM 641 CA ARG A 43 -6.305 -4.810 -2.567 1.00 0.00 C ATOM 642 C ARG A 43 -5.731 -6.188 -2.899 1.00 0.00 C ATOM 643 O ARG A 43 -4.584 -6.476 -2.636 1.00 0.00 O ATOM 644 CB ARG A 43 -7.549 -4.990 -1.689 1.00 0.00 C ATOM 645 CG ARG A 43 -8.795 -5.265 -2.545 1.00 0.00 C ATOM 646 CD ARG A 43 -9.446 -6.576 -2.095 1.00 0.00 C ATOM 647 NE ARG A 43 -10.237 -6.225 -0.883 1.00 0.00 N ATOM 648 CZ ARG A 43 -10.850 -7.161 -0.211 1.00 0.00 C ATOM 649 NH1 ARG A 43 -10.359 -8.370 -0.182 1.00 0.00 N ATOM 650 NH2 ARG A 43 -11.955 -6.890 0.428 1.00 0.00 N ATOM 0 H ARG A 43 -7.501 -3.369 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.500 -4.253 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.392 -5.815 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.707 -4.094 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.504 -4.443 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.519 -5.326 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.085 -6.987 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.694 -7.332 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.300 -5.254 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.497 -8.583 -0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.837 -9.102 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.340 -5.946 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.433 -7.622 0.953 1.00 0.00 H new ATOM 664 N GLU A 44 -6.534 -7.056 -3.429 1.00 0.00 N ATOM 665 CA GLU A 44 -6.061 -8.427 -3.736 1.00 0.00 C ATOM 666 C GLU A 44 -4.665 -8.422 -4.364 1.00 0.00 C ATOM 667 O GLU A 44 -3.820 -9.226 -4.020 1.00 0.00 O ATOM 668 CB GLU A 44 -7.096 -8.960 -4.709 1.00 0.00 C ATOM 669 CG GLU A 44 -6.663 -10.346 -5.203 1.00 0.00 C ATOM 670 CD GLU A 44 -7.882 -11.263 -5.319 1.00 0.00 C ATOM 671 OE1 GLU A 44 -8.567 -11.436 -4.324 1.00 0.00 O ATOM 672 OE2 GLU A 44 -8.106 -11.780 -6.401 1.00 0.00 O ATOM 0 H GLU A 44 -7.509 -6.873 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.966 -9.039 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.070 -9.023 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.204 -8.278 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.170 -10.259 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.937 -10.777 -4.513 1.00 0.00 H new ATOM 679 N GLN A 45 -4.408 -7.540 -5.282 1.00 0.00 N ATOM 680 CA GLN A 45 -3.056 -7.516 -5.913 1.00 0.00 C ATOM 681 C GLN A 45 -1.987 -7.182 -4.869 1.00 0.00 C ATOM 682 O GLN A 45 -0.840 -7.547 -5.014 1.00 0.00 O ATOM 683 CB GLN A 45 -3.123 -6.454 -7.010 1.00 0.00 C ATOM 684 CG GLN A 45 -3.851 -7.030 -8.229 1.00 0.00 C ATOM 685 CD GLN A 45 -3.121 -8.281 -8.727 1.00 0.00 C ATOM 686 OE1 GLN A 45 -3.594 -9.385 -8.543 1.00 0.00 O ATOM 687 NE2 GLN A 45 -1.983 -8.154 -9.356 1.00 0.00 N ATOM 0 H GLN A 45 -5.065 -6.839 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.784 -8.485 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.645 -5.570 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.118 -6.138 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.879 -7.278 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.896 -6.284 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.586 -7.227 -9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.491 -8.982 -9.693 1.00 0.00 H new ATOM 696 N TRP A 46 -2.349 -6.505 -3.811 1.00 0.00 N ATOM 697 CA TRP A 46 -1.355 -6.181 -2.761 1.00 0.00 C ATOM 698 C TRP A 46 -0.462 -7.393 -2.494 1.00 0.00 C ATOM 699 O TRP A 46 0.705 -7.266 -2.183 1.00 0.00 O ATOM 700 CB TRP A 46 -2.192 -5.882 -1.512 1.00 0.00 C ATOM 701 CG TRP A 46 -2.884 -4.559 -1.644 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.917 -3.796 -2.763 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.643 -3.828 -0.633 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.640 -2.645 -2.499 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.107 -2.620 -1.200 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.968 -4.092 0.709 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.866 -1.710 -0.464 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.734 -3.175 1.452 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.179 -1.986 0.863 1.00 0.00 C ATOM 0 H TRP A 46 -3.294 -6.164 -3.634 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.711 -5.350 -3.047 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.930 -6.671 -1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.551 -5.877 -0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.455 -4.045 -3.707 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.807 -1.905 -3.181 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.627 -5.006 1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.209 -0.795 -0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.980 -3.390 2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.765 -1.284 1.438 1.00 0.00 H new ATOM 720 N ALA A 47 -1.016 -8.564 -2.603 1.00 0.00 N ATOM 721 CA ALA A 47 -0.230 -9.798 -2.346 1.00 0.00 C ATOM 722 C ALA A 47 0.706 -10.102 -3.516 1.00 0.00 C ATOM 723 O ALA A 47 1.650 -10.858 -3.391 1.00 0.00 O ATOM 724 CB ALA A 47 -1.290 -10.872 -2.212 1.00 0.00 C ATOM 0 H ALA A 47 -1.990 -8.721 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 47 0.408 -9.718 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.812 -11.833 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.956 -10.625 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.866 -10.932 -3.136 1.00 0.00 H new ATOM 730 N GLN A 48 0.468 -9.499 -4.644 1.00 0.00 N ATOM 731 CA GLN A 48 1.358 -9.723 -5.815 1.00 0.00 C ATOM 732 C GLN A 48 1.834 -8.365 -6.327 1.00 0.00 C ATOM 733 O GLN A 48 2.448 -8.251 -7.370 1.00 0.00 O ATOM 734 CB GLN A 48 0.502 -10.428 -6.872 1.00 0.00 C ATOM 735 CG GLN A 48 0.004 -11.770 -6.328 1.00 0.00 C ATOM 736 CD GLN A 48 0.223 -12.860 -7.381 1.00 0.00 C ATOM 737 OE1 GLN A 48 1.043 -12.710 -8.265 1.00 0.00 O ATOM 738 NE2 GLN A 48 -0.484 -13.958 -7.325 1.00 0.00 N ATOM 0 H GLN A 48 -0.308 -8.857 -4.807 1.00 0.00 H new ATOM 0 HA GLN A 48 2.234 -10.323 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.345 -9.799 -7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.086 -10.587 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.536 -12.023 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.054 -11.702 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.172 -14.084 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.347 -14.689 -8.023 1.00 0.00 H new ATOM 747 N HIS A 49 1.532 -7.328 -5.594 1.00 0.00 N ATOM 748 CA HIS A 49 1.933 -5.965 -6.017 1.00 0.00 C ATOM 749 C HIS A 49 3.217 -5.531 -5.309 1.00 0.00 C ATOM 750 O HIS A 49 3.181 -4.796 -4.348 1.00 0.00 O ATOM 751 CB HIS A 49 0.761 -5.084 -5.598 1.00 0.00 C ATOM 752 CG HIS A 49 1.078 -3.651 -5.924 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.876 -2.721 -5.302 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 0.566 -3.019 -7.045 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 1.863 -1.536 -6.026 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 1.059 -1.768 -7.065 1.00 0.00 N flip ATOM 0 H HIS A 49 1.020 -7.372 -4.713 1.00 0.00 H new ATOM 0 HA HIS A 49 2.141 -5.905 -7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.146 -5.395 -6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.572 -5.193 -4.530 1.00 0.00 H new ATOM 0 HD1 HIS A 49 2.398 -2.877 -4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.107 -3.452 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.391 -0.622 -5.797 1.00 0.00 H new ATOM 764 N ILE A 50 4.348 -5.978 -5.786 1.00 0.00 N ATOM 765 CA ILE A 50 5.643 -5.598 -5.155 1.00 0.00 C ATOM 766 C ILE A 50 5.773 -4.078 -5.045 1.00 0.00 C ATOM 767 O ILE A 50 5.603 -3.353 -6.005 1.00 0.00 O ATOM 768 CB ILE A 50 6.710 -6.143 -6.094 1.00 0.00 C ATOM 769 CG1 ILE A 50 6.771 -7.664 -5.948 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.061 -5.531 -5.723 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.353 -8.022 -4.581 1.00 0.00 C ATOM 0 H ILE A 50 4.429 -6.596 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 50 5.730 -5.995 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 50 6.469 -5.888 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.773 -8.090 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.386 -8.092 -6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.831 -5.917 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.008 -4.446 -5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.309 -5.793 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.397 -9.106 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.358 -7.608 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.720 -7.607 -3.796 1.00 0.00 H new ATOM 783 N VAL A 51 6.084 -3.602 -3.873 1.00 0.00 N ATOM 784 CA VAL A 51 6.245 -2.133 -3.658 1.00 0.00 C ATOM 785 C VAL A 51 7.693 -1.737 -3.971 1.00 0.00 C ATOM 786 O VAL A 51 8.608 -2.517 -3.789 1.00 0.00 O ATOM 787 CB VAL A 51 5.920 -1.911 -2.183 1.00 0.00 C ATOM 788 CG1 VAL A 51 5.645 -0.434 -1.944 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.674 -2.708 -1.788 1.00 0.00 C ATOM 0 H VAL A 51 6.236 -4.174 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 51 5.599 -1.532 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 51 6.769 -2.242 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.413 -0.273 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.526 0.148 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.799 -0.118 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.454 -2.540 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.827 -2.382 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.853 -3.770 -1.957 1.00 0.00 H new ATOM 799 N GLN A 52 7.908 -0.555 -4.481 1.00 0.00 N ATOM 800 CA GLN A 52 9.297 -0.141 -4.851 1.00 0.00 C ATOM 801 C GLN A 52 9.948 0.768 -3.822 1.00 0.00 C ATOM 802 O GLN A 52 9.299 1.558 -3.169 1.00 0.00 O ATOM 803 CB GLN A 52 9.126 0.669 -6.117 1.00 0.00 C ATOM 804 CG GLN A 52 8.670 -0.243 -7.256 1.00 0.00 C ATOM 805 CD GLN A 52 7.149 -0.164 -7.406 1.00 0.00 C ATOM 806 OE1 GLN A 52 6.397 -1.013 -6.766 1.00 0.00 O flip ATOM 807 NE2 GLN A 52 6.640 0.677 -8.116 1.00 0.00 N flip ATOM 0 H GLN A 52 7.185 0.143 -4.658 1.00 0.00 H new ATOM 0 HA GLN A 52 9.929 -1.024 -4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.394 1.461 -5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.067 1.153 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.152 0.054 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.972 -1.271 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.227 1.343 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.625 0.718 -8.211 1.00 0.00 H new ATOM 816 N ASP A 53 11.246 0.700 -3.719 1.00 0.00 N ATOM 817 CA ASP A 53 11.953 1.594 -2.787 1.00 0.00 C ATOM 818 C ASP A 53 11.645 3.036 -3.153 1.00 0.00 C ATOM 819 O ASP A 53 11.871 3.483 -4.260 1.00 0.00 O ATOM 820 CB ASP A 53 13.426 1.292 -2.983 1.00 0.00 C ATOM 821 CG ASP A 53 13.838 1.639 -4.413 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.481 0.894 -5.311 1.00 0.00 O ATOM 823 OD2 ASP A 53 14.506 2.644 -4.586 1.00 0.00 O ATOM 0 H ASP A 53 11.841 0.060 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 53 11.655 1.446 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.022 1.866 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.621 0.238 -2.784 1.00 0.00 H new ATOM 828 N GLY A 54 11.071 3.733 -2.240 1.00 0.00 N ATOM 829 CA GLY A 54 10.660 5.137 -2.501 1.00 0.00 C ATOM 830 C GLY A 54 9.187 5.074 -2.885 1.00 0.00 C ATOM 831 O GLY A 54 8.621 5.990 -3.450 1.00 0.00 O ATOM 0 H GLY A 54 10.860 3.392 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.808 5.758 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.255 5.576 -3.302 1.00 0.00 H new ATOM 835 N ASP A 55 8.582 3.950 -2.588 1.00 0.00 N ATOM 836 CA ASP A 55 7.155 3.718 -2.925 1.00 0.00 C ATOM 837 C ASP A 55 6.247 4.850 -2.432 1.00 0.00 C ATOM 838 O ASP A 55 6.443 5.411 -1.381 1.00 0.00 O ATOM 839 CB ASP A 55 6.807 2.418 -2.197 1.00 0.00 C ATOM 840 CG ASP A 55 5.289 2.314 -2.019 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.578 2.738 -2.913 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.866 1.821 -0.986 1.00 0.00 O ATOM 0 H ASP A 55 9.035 3.168 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 55 7.006 3.670 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.175 1.563 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.299 2.392 -1.225 1.00 0.00 H new ATOM 847 N GLN A 56 5.215 5.135 -3.171 1.00 0.00 N ATOM 848 CA GLN A 56 4.237 6.171 -2.740 1.00 0.00 C ATOM 849 C GLN A 56 2.897 5.486 -2.507 1.00 0.00 C ATOM 850 O GLN A 56 2.577 4.509 -3.152 1.00 0.00 O ATOM 851 CB GLN A 56 4.140 7.161 -3.893 1.00 0.00 C ATOM 852 CG GLN A 56 2.863 7.977 -3.721 1.00 0.00 C ATOM 853 CD GLN A 56 3.154 9.468 -3.903 1.00 0.00 C ATOM 854 OE1 GLN A 56 3.739 9.870 -4.890 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.762 10.312 -2.987 1.00 0.00 N ATOM 0 H GLN A 56 5.004 4.691 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 56 4.531 6.680 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.011 7.817 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.127 6.633 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.117 7.654 -4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.442 7.800 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.271 9.974 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.947 11.309 -3.099 1.00 0.00 H new ATOM 864 N ILE A 57 2.121 5.945 -1.574 1.00 0.00 N ATOM 865 CA ILE A 57 0.840 5.242 -1.324 1.00 0.00 C ATOM 866 C ILE A 57 -0.337 6.167 -1.020 1.00 0.00 C ATOM 867 O ILE A 57 -0.217 7.173 -0.348 1.00 0.00 O ATOM 868 CB ILE A 57 1.115 4.408 -0.089 1.00 0.00 C ATOM 869 CG1 ILE A 57 2.059 3.254 -0.408 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.195 3.851 0.455 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.403 2.549 0.902 1.00 0.00 C ATOM 0 H ILE A 57 2.310 6.757 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 57 0.550 4.684 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 57 1.587 5.048 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.589 2.558 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.964 3.624 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.005 3.252 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.860 4.674 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.669 3.228 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.079 1.718 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.886 3.254 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.490 2.172 1.363 1.00 0.00 H new ATOM 883 N LEU A 58 -1.496 5.735 -1.424 1.00 0.00 N ATOM 884 CA LEU A 58 -2.749 6.456 -1.086 1.00 0.00 C ATOM 885 C LEU A 58 -3.551 5.487 -0.225 1.00 0.00 C ATOM 886 O LEU A 58 -3.505 4.297 -0.448 1.00 0.00 O ATOM 887 CB LEU A 58 -3.455 6.757 -2.403 1.00 0.00 C ATOM 888 CG LEU A 58 -3.287 8.238 -2.755 1.00 0.00 C ATOM 889 CD1 LEU A 58 -2.029 8.429 -3.605 1.00 0.00 C ATOM 890 CD2 LEU A 58 -4.513 8.715 -3.542 1.00 0.00 C ATOM 0 H LEU A 58 -1.629 4.894 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.601 7.394 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.042 6.136 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.514 6.511 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.191 8.819 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.914 9.484 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.157 8.091 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.119 7.848 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.396 9.769 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.607 8.131 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.409 8.584 -2.935 1.00 0.00 H new ATOM 902 N LEU A 59 -4.236 5.941 0.779 1.00 0.00 N ATOM 903 CA LEU A 59 -4.970 4.970 1.640 1.00 0.00 C ATOM 904 C LEU A 59 -6.484 5.131 1.497 1.00 0.00 C ATOM 905 O LEU A 59 -7.021 6.213 1.623 1.00 0.00 O ATOM 906 CB LEU A 59 -4.512 5.299 3.065 1.00 0.00 C ATOM 907 CG LEU A 59 -5.044 4.249 4.045 1.00 0.00 C ATOM 908 CD1 LEU A 59 -6.553 4.425 4.212 1.00 0.00 C ATOM 909 CD2 LEU A 59 -4.751 2.846 3.508 1.00 0.00 C ATOM 0 H LEU A 59 -4.322 6.923 1.042 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.758 3.937 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.423 5.329 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.869 6.288 3.351 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.553 4.376 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.931 3.678 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.762 5.422 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.043 4.301 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.131 2.102 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.238 2.717 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.675 2.718 3.392 1.00 0.00 H new ATOM 921 N PHE A 60 -7.179 4.050 1.269 1.00 0.00 N ATOM 922 CA PHE A 60 -8.662 4.129 1.154 1.00 0.00 C ATOM 923 C PHE A 60 -9.272 3.405 2.350 1.00 0.00 C ATOM 924 O PHE A 60 -8.809 2.347 2.739 1.00 0.00 O ATOM 925 CB PHE A 60 -9.036 3.408 -0.146 1.00 0.00 C ATOM 926 CG PHE A 60 -8.489 4.148 -1.350 1.00 0.00 C ATOM 927 CD1 PHE A 60 -7.109 4.235 -1.549 1.00 0.00 C ATOM 928 CD2 PHE A 60 -9.367 4.726 -2.277 1.00 0.00 C ATOM 929 CE1 PHE A 60 -6.602 4.897 -2.673 1.00 0.00 C ATOM 930 CE2 PHE A 60 -8.862 5.392 -3.400 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.479 5.478 -3.599 1.00 0.00 C ATOM 0 H PHE A 60 -6.784 3.116 1.158 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.024 5.157 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.643 2.392 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.120 3.329 -0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.432 3.791 -0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.434 4.658 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.535 4.960 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.539 5.839 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.088 5.991 -4.465 1.00 0.00 H new ATOM 941 N GLN A 61 -10.294 3.960 2.939 1.00 0.00 N ATOM 942 CA GLN A 61 -10.913 3.304 4.123 1.00 0.00 C ATOM 943 C GLN A 61 -12.030 2.358 3.685 1.00 0.00 C ATOM 944 O GLN A 61 -12.379 2.290 2.524 1.00 0.00 O ATOM 945 CB GLN A 61 -11.485 4.454 4.956 1.00 0.00 C ATOM 946 CG GLN A 61 -12.736 5.004 4.268 1.00 0.00 C ATOM 947 CD GLN A 61 -13.402 6.052 5.162 1.00 0.00 C ATOM 948 OE1 GLN A 61 -12.808 6.535 6.104 1.00 0.00 O ATOM 949 NE2 GLN A 61 -14.622 6.432 4.898 1.00 0.00 N ATOM 0 H GLN A 61 -10.727 4.838 2.652 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.195 2.707 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -11.731 4.104 5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.741 5.243 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.469 5.448 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.434 4.193 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.122 6.027 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.075 7.134 5.483 1.00 0.00 H new ATOM 958 N VAL A 62 -12.579 1.625 4.616 1.00 0.00 N ATOM 959 CA VAL A 62 -13.672 0.660 4.293 1.00 0.00 C ATOM 960 C VAL A 62 -14.550 1.168 3.148 1.00 0.00 C ATOM 961 O VAL A 62 -14.710 2.356 2.944 1.00 0.00 O ATOM 962 CB VAL A 62 -14.479 0.534 5.584 1.00 0.00 C ATOM 963 CG1 VAL A 62 -15.892 0.032 5.270 1.00 0.00 C ATOM 964 CG2 VAL A 62 -13.785 -0.466 6.507 1.00 0.00 C ATOM 0 H VAL A 62 -12.313 1.654 5.600 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.276 -0.299 3.958 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.544 1.509 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -16.461 -0.055 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.389 0.737 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.833 -0.943 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -14.354 -0.563 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.726 -1.436 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.779 -0.113 6.735 1.00 0.00 H new ATOM 974 N ILE A 63 -15.124 0.258 2.412 1.00 0.00 N ATOM 975 CA ILE A 63 -16.011 0.637 1.279 1.00 0.00 C ATOM 976 C ILE A 63 -17.396 0.070 1.569 1.00 0.00 C ATOM 977 O ILE A 63 -17.670 -1.087 1.318 1.00 0.00 O ATOM 978 CB ILE A 63 -15.406 -0.024 0.024 1.00 0.00 C ATOM 979 CG1 ILE A 63 -13.997 -0.568 0.331 1.00 0.00 C ATOM 980 CG2 ILE A 63 -15.318 1.013 -1.099 1.00 0.00 C ATOM 981 CD1 ILE A 63 -13.234 -0.845 -0.967 1.00 0.00 C ATOM 0 H ILE A 63 -15.014 -0.747 2.550 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.093 1.715 1.138 1.00 0.00 H new ATOM 0 HB ILE A 63 -16.044 -0.853 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.447 0.152 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.074 -1.484 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.891 0.550 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -16.316 1.387 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.685 1.841 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.241 -1.228 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.777 -1.583 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.140 0.079 -1.538 1.00 0.00 H new ATOM 993 N ALA A 64 -18.262 0.859 2.126 1.00 0.00 N ATOM 994 CA ALA A 64 -19.612 0.343 2.464 1.00 0.00 C ATOM 995 C ALA A 64 -20.699 1.181 1.786 1.00 0.00 C ATOM 996 O ALA A 64 -20.440 2.250 1.272 1.00 0.00 O ATOM 997 CB ALA A 64 -19.686 0.480 3.981 1.00 0.00 C ATOM 0 H ALA A 64 -18.096 1.837 2.362 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.769 -0.682 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.654 0.122 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.893 -0.111 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.564 1.527 4.258 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.917 0.711 1.786 1.00 0.00 N ATOM 1004 CA GLY A 65 -23.007 1.497 1.145 1.00 0.00 C ATOM 1005 C GLY A 65 -24.057 0.560 0.544 1.00 0.00 C ATOM 1006 O GLY A 65 -23.739 -0.401 -0.131 1.00 0.00 O ATOM 0 H GLY A 65 -22.202 -0.177 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.473 2.152 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -22.593 2.137 0.366 1.00 0.00 H new ATOM 1010 N GLY A 66 -25.309 0.841 0.777 1.00 0.00 N ATOM 1011 CA GLY A 66 -26.387 -0.021 0.215 1.00 0.00 C ATOM 1012 C GLY A 66 -26.650 0.389 -1.235 1.00 0.00 C ATOM 1013 O GLY A 66 -27.227 1.445 -1.436 1.00 0.00 O ATOM 1014 OXT GLY A 66 -26.264 -0.357 -2.121 1.00 0.00 O ATOM 0 H GLY A 66 -25.633 1.632 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -26.093 -1.070 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -27.297 0.082 0.806 1.00 0.00 H new TER 1018 GLY A 66