USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=9 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 45 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.5!) USER MOD Set 1.2: A 48 GLN :FLIP amide:sc= 0 F(o=-1.7,f=-1.1) USER MOD Set 2.1: A 12 CYS SG : rot 106:sc= -10.1! USER MOD Set 2.2: A 16 GLN : amide:sc= -8.41! C(o=-18!,f=-28!) USER MOD Single : A 1 MET CE :methyl -175:sc= -11.9! (180deg=-12.3!) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0.00364 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0693 K(o=-0.069,f=-0.69) USER MOD Single : A 8 GLN : amide:sc=-0.00331 K(o=-0.0033,f=-0.78) USER MOD Single : A 10 MET CE :methyl -161:sc= -5.94! (180deg=-6.69!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 126:sc= -1.41 USER MOD Single : A 19 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 27 GLN : amide:sc= -6.05! C(o=-6.1!,f=-12!) USER MOD Single : A 29 GLN : amide:sc= -10.4! C(o=-10!,f=-16!) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.26) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 49 HIS :FLIP no HE2:sc= -4.22! C(o=-5.9!,f=-4.2!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.17 F(o=-1.1,f=-0.17) USER MOD Single : A 56 GLN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.770 1.355 1.611 1.00 0.00 N ATOM 2 CA MET A 1 13.748 1.986 0.729 1.00 0.00 C ATOM 3 C MET A 1 12.813 2.884 1.543 1.00 0.00 C ATOM 4 O MET A 1 12.798 2.849 2.758 1.00 0.00 O ATOM 5 CB MET A 1 12.998 0.820 0.089 1.00 0.00 C ATOM 6 CG MET A 1 11.739 0.510 0.865 1.00 0.00 C ATOM 7 SD MET A 1 10.406 1.517 0.197 1.00 0.00 S ATOM 8 CE MET A 1 9.906 0.437 -1.159 1.00 0.00 C ATOM 0 H1 MET A 1 15.648 1.207 1.074 1.00 0.00 H new ATOM 0 H2 MET A 1 14.961 1.977 2.422 1.00 0.00 H new ATOM 0 H3 MET A 1 14.415 0.439 1.953 1.00 0.00 H new ATOM 0 HA MET A 1 14.195 2.631 -0.028 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.745 1.065 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.640 -0.060 0.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.493 -0.549 0.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.883 0.723 1.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.139 0.932 -1.755 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.769 0.219 -1.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.507 -0.493 -0.755 1.00 0.00 H new ATOM 20 N GLN A 2 12.030 3.682 0.876 1.00 0.00 N ATOM 21 CA GLN A 2 11.098 4.576 1.603 1.00 0.00 C ATOM 22 C GLN A 2 9.822 4.745 0.831 1.00 0.00 C ATOM 23 O GLN A 2 9.754 4.525 -0.357 1.00 0.00 O ATOM 24 CB GLN A 2 11.828 5.897 1.697 1.00 0.00 C ATOM 25 CG GLN A 2 10.950 6.947 2.378 1.00 0.00 C ATOM 26 CD GLN A 2 11.196 8.319 1.747 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.053 9.058 2.186 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.467 8.696 0.730 1.00 0.00 N ATOM 0 H GLN A 2 11.997 3.752 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 2 10.827 4.179 2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.753 5.769 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.105 6.238 0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.899 6.675 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.171 6.983 3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.747 8.075 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.618 9.611 0.305 1.00 0.00 H new ATOM 37 N ILE A 3 8.786 5.085 1.512 1.00 0.00 N ATOM 38 CA ILE A 3 7.511 5.215 0.834 1.00 0.00 C ATOM 39 C ILE A 3 6.702 6.344 1.422 1.00 0.00 C ATOM 40 O ILE A 3 7.023 6.896 2.450 1.00 0.00 O ATOM 41 CB ILE A 3 6.819 3.880 1.115 1.00 0.00 C ATOM 42 CG1 ILE A 3 6.001 3.964 2.418 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.887 2.797 1.251 1.00 0.00 C ATOM 44 CD1 ILE A 3 6.093 2.655 3.218 1.00 0.00 C ATOM 0 H ILE A 3 8.776 5.278 2.514 1.00 0.00 H new ATOM 0 HA ILE A 3 7.623 5.433 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 3 6.141 3.642 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.366 4.791 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.958 4.177 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.409 1.838 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.458 2.731 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.557 3.048 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.506 2.745 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.705 1.833 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.134 2.457 3.474 1.00 0.00 H new ATOM 56 N LEU A 4 5.606 6.617 0.829 1.00 0.00 N ATOM 57 CA LEU A 4 4.720 7.622 1.403 1.00 0.00 C ATOM 58 C LEU A 4 3.386 6.947 1.637 1.00 0.00 C ATOM 59 O LEU A 4 2.661 6.647 0.713 1.00 0.00 O ATOM 60 CB LEU A 4 4.597 8.733 0.364 1.00 0.00 C ATOM 61 CG LEU A 4 3.647 9.802 0.905 1.00 0.00 C ATOM 62 CD1 LEU A 4 2.228 9.283 0.754 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.958 10.058 2.381 1.00 0.00 C ATOM 0 H LEU A 4 5.281 6.185 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 4 5.082 8.038 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.575 9.166 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.219 8.332 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 4 3.765 10.737 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.526 10.026 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.021 9.092 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.117 8.358 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.282 10.820 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.827 9.135 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.988 10.402 2.482 1.00 0.00 H new ATOM 75 N PHE A 5 3.049 6.698 2.857 1.00 0.00 N ATOM 76 CA PHE A 5 1.752 6.043 3.117 1.00 0.00 C ATOM 77 C PHE A 5 0.774 7.093 3.634 1.00 0.00 C ATOM 78 O PHE A 5 0.821 7.480 4.780 1.00 0.00 O ATOM 79 CB PHE A 5 2.038 4.996 4.190 1.00 0.00 C ATOM 80 CG PHE A 5 0.742 4.335 4.573 1.00 0.00 C ATOM 81 CD1 PHE A 5 0.282 3.238 3.838 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.000 4.819 5.653 1.00 0.00 C ATOM 83 CE1 PHE A 5 -0.923 2.621 4.185 1.00 0.00 C ATOM 84 CE2 PHE A 5 -1.206 4.203 6.003 1.00 0.00 C ATOM 85 CZ PHE A 5 -1.668 3.103 5.266 1.00 0.00 C ATOM 0 H PHE A 5 3.609 6.917 3.681 1.00 0.00 H new ATOM 0 HA PHE A 5 1.316 5.585 2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.745 4.255 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.497 5.463 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.858 2.868 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.357 5.668 6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.279 1.773 3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.780 4.574 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.600 2.628 5.533 1.00 0.00 H new ATOM 95 N ASN A 6 -0.101 7.569 2.796 1.00 0.00 N ATOM 96 CA ASN A 6 -1.061 8.611 3.242 1.00 0.00 C ATOM 97 C ASN A 6 -0.293 9.838 3.718 1.00 0.00 C ATOM 98 O ASN A 6 -0.424 10.295 4.836 1.00 0.00 O ATOM 99 CB ASN A 6 -1.874 7.977 4.370 1.00 0.00 C ATOM 100 CG ASN A 6 -3.178 8.752 4.553 1.00 0.00 C ATOM 101 OD1 ASN A 6 -3.853 9.068 3.591 1.00 0.00 O ATOM 102 ND2 ASN A 6 -3.562 9.076 5.756 1.00 0.00 N ATOM 0 H ASN A 6 -0.192 7.281 1.822 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.721 8.943 2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.088 6.934 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.300 7.986 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.429 9.595 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.995 8.810 6.561 1.00 0.00 H new ATOM 109 N ASP A 7 0.507 10.363 2.845 1.00 0.00 N ATOM 110 CA ASP A 7 1.326 11.561 3.162 1.00 0.00 C ATOM 111 C ASP A 7 2.201 11.277 4.366 1.00 0.00 C ATOM 112 O ASP A 7 2.742 12.172 4.985 1.00 0.00 O ATOM 113 CB ASP A 7 0.329 12.651 3.453 1.00 0.00 C ATOM 114 CG ASP A 7 1.048 13.900 3.964 1.00 0.00 C ATOM 115 OD1 ASP A 7 2.179 14.112 3.563 1.00 0.00 O ATOM 116 OD2 ASP A 7 0.454 14.620 4.747 1.00 0.00 O ATOM 0 H ASP A 7 0.633 10.004 1.899 1.00 0.00 H new ATOM 0 HA ASP A 7 1.994 11.845 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.234 12.890 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.391 12.307 4.196 1.00 0.00 H new ATOM 121 N GLN A 8 2.387 10.034 4.673 1.00 0.00 N ATOM 122 CA GLN A 8 3.276 9.700 5.803 1.00 0.00 C ATOM 123 C GLN A 8 4.530 9.063 5.213 1.00 0.00 C ATOM 124 O GLN A 8 4.470 8.022 4.598 1.00 0.00 O ATOM 125 CB GLN A 8 2.491 8.699 6.659 1.00 0.00 C ATOM 126 CG GLN A 8 1.085 9.256 6.915 1.00 0.00 C ATOM 127 CD GLN A 8 0.547 8.770 8.265 1.00 0.00 C ATOM 128 OE1 GLN A 8 0.969 7.749 8.775 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.388 9.462 8.862 1.00 0.00 N ATOM 0 H GLN A 8 1.965 9.239 4.194 1.00 0.00 H new ATOM 0 HA GLN A 8 3.573 10.558 6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.428 7.737 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.006 8.527 7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.112 10.346 6.900 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.413 8.942 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.741 10.318 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.764 9.146 9.756 1.00 0.00 H new ATOM 138 N ALA A 9 5.662 9.675 5.363 1.00 0.00 N ATOM 139 CA ALA A 9 6.883 9.073 4.764 1.00 0.00 C ATOM 140 C ALA A 9 7.264 7.811 5.534 1.00 0.00 C ATOM 141 O ALA A 9 7.025 7.700 6.718 1.00 0.00 O ATOM 142 CB ALA A 9 7.960 10.143 4.867 1.00 0.00 C ATOM 0 H ALA A 9 5.799 10.552 5.865 1.00 0.00 H new ATOM 0 HA ALA A 9 6.738 8.773 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.890 9.765 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.645 11.030 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.118 10.401 5.914 1.00 0.00 H new ATOM 148 N MET A 10 7.819 6.843 4.862 1.00 0.00 N ATOM 149 CA MET A 10 8.168 5.563 5.554 1.00 0.00 C ATOM 150 C MET A 10 9.454 4.952 5.041 1.00 0.00 C ATOM 151 O MET A 10 10.042 5.391 4.085 1.00 0.00 O ATOM 152 CB MET A 10 7.075 4.603 5.134 1.00 0.00 C ATOM 153 CG MET A 10 6.697 3.669 6.272 1.00 0.00 C ATOM 154 SD MET A 10 5.420 4.444 7.292 1.00 0.00 S ATOM 155 CE MET A 10 3.998 3.933 6.292 1.00 0.00 C ATOM 0 H MET A 10 8.047 6.878 3.868 1.00 0.00 H new ATOM 0 HA MET A 10 8.272 5.744 6.624 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.197 5.165 4.814 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.410 4.019 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.334 2.722 5.873 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.574 3.444 6.878 1.00 0.00 H new ATOM 0 HE1 MET A 10 3.141 4.564 6.529 1.00 0.00 H new ATOM 0 HE2 MET A 10 4.242 4.034 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.754 2.893 6.511 1.00 0.00 H new ATOM 165 N GLN A 11 9.817 3.859 5.631 1.00 0.00 N ATOM 166 CA GLN A 11 10.985 3.100 5.153 1.00 0.00 C ATOM 167 C GLN A 11 10.700 1.636 5.383 1.00 0.00 C ATOM 168 O GLN A 11 10.443 1.194 6.484 1.00 0.00 O ATOM 169 CB GLN A 11 12.216 3.515 5.938 1.00 0.00 C ATOM 170 CG GLN A 11 11.944 4.754 6.796 1.00 0.00 C ATOM 171 CD GLN A 11 13.225 5.141 7.532 1.00 0.00 C ATOM 172 OE1 GLN A 11 14.070 5.825 6.988 1.00 0.00 O ATOM 173 NE2 GLN A 11 13.413 4.721 8.752 1.00 0.00 N ATOM 0 H GLN A 11 9.343 3.454 6.439 1.00 0.00 H new ATOM 0 HA GLN A 11 11.167 3.293 4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.536 2.692 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.035 3.721 5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.606 5.579 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.147 4.549 7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.704 4.147 9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.269 4.966 9.250 1.00 0.00 H new ATOM 182 N CYS A 12 10.710 0.904 4.338 1.00 0.00 N ATOM 183 CA CYS A 12 10.403 -0.547 4.430 1.00 0.00 C ATOM 184 C CYS A 12 11.283 -1.348 3.485 1.00 0.00 C ATOM 185 O CYS A 12 12.336 -0.913 3.062 1.00 0.00 O ATOM 186 CB CYS A 12 8.947 -0.644 4.002 1.00 0.00 C ATOM 187 SG CYS A 12 8.830 -0.206 2.253 1.00 0.00 S ATOM 0 H CYS A 12 10.920 1.241 3.398 1.00 0.00 H new ATOM 0 HA CYS A 12 10.581 -0.946 5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.571 -1.654 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.331 0.026 4.602 1.00 0.00 H new ATOM 0 HG CYS A 12 8.622 -1.279 1.550 1.00 0.00 H new ATOM 193 N ALA A 13 10.855 -2.527 3.167 1.00 0.00 N ATOM 194 CA ALA A 13 11.643 -3.391 2.267 1.00 0.00 C ATOM 195 C ALA A 13 11.378 -3.053 0.805 1.00 0.00 C ATOM 196 O ALA A 13 10.325 -3.338 0.276 1.00 0.00 O ATOM 197 CB ALA A 13 11.154 -4.805 2.564 1.00 0.00 C ATOM 0 H ALA A 13 9.980 -2.934 3.498 1.00 0.00 H new ATOM 0 HA ALA A 13 12.714 -3.266 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.691 -5.515 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.336 -5.040 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.086 -4.872 2.357 1.00 0.00 H new ATOM 203 N ALA A 14 12.323 -2.476 0.136 1.00 0.00 N ATOM 204 CA ALA A 14 12.100 -2.177 -1.300 1.00 0.00 C ATOM 205 C ALA A 14 11.897 -3.490 -2.052 1.00 0.00 C ATOM 206 O ALA A 14 12.517 -4.491 -1.753 1.00 0.00 O ATOM 207 CB ALA A 14 13.371 -1.498 -1.788 1.00 0.00 C ATOM 0 H ALA A 14 13.230 -2.200 0.511 1.00 0.00 H new ATOM 0 HA ALA A 14 11.225 -1.546 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.269 -1.251 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.538 -0.585 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.218 -2.171 -1.653 1.00 0.00 H new ATOM 213 N GLY A 15 11.033 -3.495 -3.014 1.00 0.00 N ATOM 214 CA GLY A 15 10.780 -4.737 -3.776 1.00 0.00 C ATOM 215 C GLY A 15 9.745 -5.578 -3.028 1.00 0.00 C ATOM 216 O GLY A 15 9.437 -6.690 -3.405 1.00 0.00 O ATOM 0 H GLY A 15 10.486 -2.686 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.419 -4.498 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.706 -5.300 -3.897 1.00 0.00 H new ATOM 220 N GLN A 16 9.204 -5.046 -1.968 1.00 0.00 N ATOM 221 CA GLN A 16 8.183 -5.794 -1.189 1.00 0.00 C ATOM 222 C GLN A 16 6.791 -5.315 -1.608 1.00 0.00 C ATOM 223 O GLN A 16 6.496 -4.143 -1.553 1.00 0.00 O ATOM 224 CB GLN A 16 8.492 -5.444 0.265 1.00 0.00 C ATOM 225 CG GLN A 16 7.651 -4.251 0.733 1.00 0.00 C ATOM 226 CD GLN A 16 7.986 -3.943 2.188 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.505 -2.891 2.489 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.712 -4.825 3.104 1.00 0.00 N ATOM 0 H GLN A 16 9.428 -4.119 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 16 8.204 -6.872 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.292 -6.306 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.551 -5.210 0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.853 -3.381 0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.589 -4.477 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.275 -5.710 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.934 -4.632 4.081 1.00 0.00 H new ATOM 237 N THR A 17 5.942 -6.186 -2.060 1.00 0.00 N ATOM 238 CA THR A 17 4.608 -5.712 -2.504 1.00 0.00 C ATOM 239 C THR A 17 3.905 -4.912 -1.432 1.00 0.00 C ATOM 240 O THR A 17 4.453 -4.534 -0.423 1.00 0.00 O ATOM 241 CB THR A 17 3.729 -6.927 -2.756 1.00 0.00 C ATOM 242 OG1 THR A 17 3.192 -7.378 -1.519 1.00 0.00 O ATOM 243 CG2 THR A 17 4.501 -8.065 -3.384 1.00 0.00 C ATOM 0 H THR A 17 6.108 -7.189 -2.141 1.00 0.00 H new ATOM 0 HA THR A 17 4.759 -5.094 -3.389 1.00 0.00 H new ATOM 0 HB THR A 17 2.939 -6.626 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.215 -7.428 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.834 -8.912 -3.546 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.914 -7.741 -4.339 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.312 -8.364 -2.720 1.00 0.00 H new ATOM 251 N VAL A 18 2.654 -4.708 -1.679 1.00 0.00 N ATOM 252 CA VAL A 18 1.763 -3.997 -0.744 1.00 0.00 C ATOM 253 C VAL A 18 1.364 -4.954 0.336 1.00 0.00 C ATOM 254 O VAL A 18 1.606 -4.752 1.501 1.00 0.00 O ATOM 255 CB VAL A 18 0.570 -3.742 -1.584 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.489 -3.039 -0.765 1.00 0.00 C ATOM 257 CG2 VAL A 18 0.990 -2.934 -2.791 1.00 0.00 C ATOM 0 H VAL A 18 2.192 -5.021 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 18 2.202 -3.106 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 18 0.137 -4.678 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.365 -2.853 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.770 -3.666 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.096 -2.091 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.121 -2.739 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.421 -1.988 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.732 -3.492 -3.362 1.00 0.00 H new ATOM 267 N HIS A 19 0.808 -6.064 -0.070 1.00 0.00 N ATOM 268 CA HIS A 19 0.464 -7.095 0.918 1.00 0.00 C ATOM 269 C HIS A 19 1.724 -7.286 1.730 1.00 0.00 C ATOM 270 O HIS A 19 1.715 -7.608 2.906 1.00 0.00 O ATOM 271 CB HIS A 19 0.191 -8.335 0.079 1.00 0.00 C ATOM 272 CG HIS A 19 -0.420 -9.404 0.941 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.769 -9.719 0.885 1.00 0.00 N ATOM 274 CD2 HIS A 19 0.120 -10.237 1.890 1.00 0.00 C ATOM 275 CE1 HIS A 19 -1.993 -10.701 1.778 1.00 0.00 C ATOM 276 NE2 HIS A 19 -0.875 -11.054 2.418 1.00 0.00 N ATOM 0 H HIS A 19 0.583 -6.290 -1.039 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.380 -6.868 1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.481 -8.089 -0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.118 -8.698 -0.364 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.160 -10.255 2.182 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.959 -11.149 1.955 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.773 -11.769 3.139 1.00 0.00 H new ATOM 284 N GLU A 20 2.822 -7.020 1.067 1.00 0.00 N ATOM 285 CA GLU A 20 4.139 -7.121 1.730 1.00 0.00 C ATOM 286 C GLU A 20 4.422 -5.831 2.490 1.00 0.00 C ATOM 287 O GLU A 20 4.881 -5.851 3.615 1.00 0.00 O ATOM 288 CB GLU A 20 5.139 -7.332 0.597 1.00 0.00 C ATOM 289 CG GLU A 20 5.108 -8.803 0.178 1.00 0.00 C ATOM 290 CD GLU A 20 6.534 -9.332 0.037 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.292 -8.744 -0.717 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.846 -10.319 0.685 1.00 0.00 O ATOM 0 H GLU A 20 2.853 -6.736 0.088 1.00 0.00 H new ATOM 0 HA GLU A 20 4.191 -7.934 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.889 -6.693 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.141 -7.053 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.564 -9.390 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.576 -8.910 -0.767 1.00 0.00 H new ATOM 299 N LEU A 21 4.134 -4.700 1.902 1.00 0.00 N ATOM 300 CA LEU A 21 4.380 -3.431 2.633 1.00 0.00 C ATOM 301 C LEU A 21 3.381 -3.337 3.773 1.00 0.00 C ATOM 302 O LEU A 21 3.737 -3.265 4.920 1.00 0.00 O ATOM 303 CB LEU A 21 4.149 -2.315 1.615 1.00 0.00 C ATOM 304 CG LEU A 21 4.463 -0.974 2.275 1.00 0.00 C ATOM 305 CD1 LEU A 21 5.971 -0.778 2.319 1.00 0.00 C ATOM 306 CD2 LEU A 21 3.835 0.160 1.475 1.00 0.00 C ATOM 0 H LEU A 21 3.746 -4.603 0.964 1.00 0.00 H new ATOM 0 HA LEU A 21 5.384 -3.367 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.784 -2.464 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.117 -2.331 1.265 1.00 0.00 H new ATOM 0 HG LEU A 21 4.056 -0.969 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.200 0.178 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.426 -1.584 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.369 -0.788 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.064 1.113 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.237 0.156 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.754 0.024 1.437 1.00 0.00 H new ATOM 318 N LEU A 22 2.125 -3.379 3.447 1.00 0.00 N ATOM 319 CA LEU A 22 1.062 -3.323 4.482 1.00 0.00 C ATOM 320 C LEU A 22 1.430 -4.186 5.668 1.00 0.00 C ATOM 321 O LEU A 22 1.497 -3.733 6.792 1.00 0.00 O ATOM 322 CB LEU A 22 -0.140 -3.918 3.768 1.00 0.00 C ATOM 323 CG LEU A 22 -0.784 -2.837 2.933 1.00 0.00 C ATOM 324 CD1 LEU A 22 -1.932 -3.435 2.133 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.307 -1.770 3.881 1.00 0.00 C ATOM 0 H LEU A 22 1.783 -3.451 2.489 1.00 0.00 H new ATOM 0 HA LEU A 22 0.893 -2.317 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.169 -4.751 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.853 -4.313 4.491 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.066 -2.402 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.399 -2.657 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.551 -4.221 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.670 -3.857 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.779 -0.973 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.038 -2.212 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.479 -1.359 4.459 1.00 0.00 H new ATOM 337 N GLU A 23 1.683 -5.428 5.425 1.00 0.00 N ATOM 338 CA GLU A 23 2.070 -6.320 6.549 1.00 0.00 C ATOM 339 C GLU A 23 3.268 -5.703 7.278 1.00 0.00 C ATOM 340 O GLU A 23 3.284 -5.591 8.488 1.00 0.00 O ATOM 341 CB GLU A 23 2.466 -7.622 5.868 1.00 0.00 C ATOM 342 CG GLU A 23 2.860 -8.671 6.916 1.00 0.00 C ATOM 343 CD GLU A 23 1.835 -9.808 6.926 1.00 0.00 C ATOM 344 OE1 GLU A 23 1.379 -10.178 5.858 1.00 0.00 O ATOM 345 OE2 GLU A 23 1.526 -10.293 8.002 1.00 0.00 O ATOM 0 H GLU A 23 1.641 -5.869 4.506 1.00 0.00 H new ATOM 0 HA GLU A 23 1.280 -6.469 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.636 -7.993 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.300 -7.446 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.851 -9.065 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.914 -8.210 7.902 1.00 0.00 H new ATOM 352 N GLN A 24 4.265 -5.282 6.540 1.00 0.00 N ATOM 353 CA GLN A 24 5.455 -4.649 7.178 1.00 0.00 C ATOM 354 C GLN A 24 5.015 -3.394 7.931 1.00 0.00 C ATOM 355 O GLN A 24 5.393 -3.168 9.064 1.00 0.00 O ATOM 356 CB GLN A 24 6.381 -4.279 6.017 1.00 0.00 C ATOM 357 CG GLN A 24 7.679 -3.682 6.566 1.00 0.00 C ATOM 358 CD GLN A 24 8.270 -4.617 7.622 1.00 0.00 C ATOM 359 OE1 GLN A 24 8.293 -4.292 8.794 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.751 -5.774 7.257 1.00 0.00 N ATOM 0 H GLN A 24 4.304 -5.350 5.523 1.00 0.00 H new ATOM 0 HA GLN A 24 5.950 -5.307 7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.600 -5.163 5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.889 -3.562 5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.394 -3.534 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.484 -2.702 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.732 -6.047 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.146 -6.405 7.954 1.00 0.00 H new ATOM 369 N LEU A 25 4.192 -2.595 7.312 1.00 0.00 N ATOM 370 CA LEU A 25 3.687 -1.377 7.974 1.00 0.00 C ATOM 371 C LEU A 25 2.845 -1.804 9.172 1.00 0.00 C ATOM 372 O LEU A 25 2.587 -1.033 10.075 1.00 0.00 O ATOM 373 CB LEU A 25 2.817 -0.698 6.914 1.00 0.00 C ATOM 374 CG LEU A 25 3.656 -0.357 5.671 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.854 0.565 4.751 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.951 0.343 6.079 1.00 0.00 C ATOM 0 H LEU A 25 3.848 -2.742 6.363 1.00 0.00 H new ATOM 0 HA LEU A 25 4.471 -0.710 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.993 -1.355 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.376 0.211 7.324 1.00 0.00 H new ATOM 0 HG LEU A 25 3.901 -1.282 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.449 0.807 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.937 0.063 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.605 1.483 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.534 0.578 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.714 1.264 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.530 -0.313 6.729 1.00 0.00 H new ATOM 388 N ASP A 26 2.411 -3.047 9.163 1.00 0.00 N ATOM 389 CA ASP A 26 1.573 -3.600 10.263 1.00 0.00 C ATOM 390 C ASP A 26 0.114 -3.182 10.063 1.00 0.00 C ATOM 391 O ASP A 26 -0.604 -2.906 11.000 1.00 0.00 O ATOM 392 CB ASP A 26 2.157 -3.035 11.557 1.00 0.00 C ATOM 393 CG ASP A 26 1.750 -3.918 12.739 1.00 0.00 C ATOM 394 OD1 ASP A 26 2.035 -5.103 12.693 1.00 0.00 O ATOM 395 OD2 ASP A 26 1.158 -3.395 13.668 1.00 0.00 O ATOM 0 H ASP A 26 2.612 -3.712 8.416 1.00 0.00 H new ATOM 0 HA ASP A 26 1.582 -4.690 10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.244 -2.986 11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.801 -2.016 11.713 1.00 0.00 H new ATOM 400 N GLN A 27 -0.324 -3.155 8.827 1.00 0.00 N ATOM 401 CA GLN A 27 -1.741 -2.785 8.523 1.00 0.00 C ATOM 402 C GLN A 27 -2.276 -3.692 7.410 1.00 0.00 C ATOM 403 O GLN A 27 -1.762 -3.703 6.309 1.00 0.00 O ATOM 404 CB GLN A 27 -1.715 -1.320 8.054 1.00 0.00 C ATOM 405 CG GLN A 27 -0.401 -1.013 7.333 1.00 0.00 C ATOM 406 CD GLN A 27 -0.516 0.322 6.603 1.00 0.00 C ATOM 407 OE1 GLN A 27 -0.964 0.374 5.476 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.126 1.408 7.207 1.00 0.00 N ATOM 0 H GLN A 27 0.245 -3.375 8.010 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.387 -2.904 9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.556 -1.130 7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.831 -0.655 8.910 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.419 -0.977 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.170 -1.808 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.250 1.358 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.196 2.308 6.733 1.00 0.00 H new ATOM 417 N ARG A 28 -3.304 -4.457 7.678 1.00 0.00 N ATOM 418 CA ARG A 28 -3.848 -5.347 6.639 1.00 0.00 C ATOM 419 C ARG A 28 -4.858 -4.584 5.793 1.00 0.00 C ATOM 420 O ARG A 28 -4.579 -3.498 5.326 1.00 0.00 O ATOM 421 CB ARG A 28 -4.508 -6.484 7.416 1.00 0.00 C ATOM 422 CG ARG A 28 -3.466 -7.152 8.319 1.00 0.00 C ATOM 423 CD ARG A 28 -2.204 -7.453 7.510 1.00 0.00 C ATOM 424 NE ARG A 28 -1.495 -8.506 8.289 1.00 0.00 N ATOM 425 CZ ARG A 28 -1.199 -8.305 9.546 1.00 0.00 C ATOM 426 NH1 ARG A 28 -0.647 -7.183 9.919 1.00 0.00 N ATOM 427 NH2 ARG A 28 -1.455 -9.227 10.430 1.00 0.00 N ATOM 0 H ARG A 28 -3.783 -4.495 8.578 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.091 -5.724 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.333 -6.099 8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.930 -7.215 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.225 -6.499 9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.870 -8.074 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.451 -7.802 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.586 -6.562 7.395 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.240 -9.386 7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.445 -6.460 9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.417 -7.029 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.886 -10.105 10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.224 -9.071 11.411 1.00 0.00 H new ATOM 441 N GLN A 29 -6.020 -5.139 5.585 1.00 0.00 N ATOM 442 CA GLN A 29 -7.032 -4.449 4.747 1.00 0.00 C ATOM 443 C GLN A 29 -8.259 -5.328 4.521 1.00 0.00 C ATOM 444 O GLN A 29 -8.499 -5.796 3.428 1.00 0.00 O ATOM 445 CB GLN A 29 -6.328 -4.234 3.418 1.00 0.00 C ATOM 446 CG GLN A 29 -5.895 -5.588 2.830 1.00 0.00 C ATOM 447 CD GLN A 29 -4.546 -6.015 3.407 1.00 0.00 C ATOM 448 OE1 GLN A 29 -3.675 -5.199 3.619 1.00 0.00 O ATOM 449 NE2 GLN A 29 -4.337 -7.278 3.673 1.00 0.00 N ATOM 0 H GLN A 29 -6.310 -6.042 5.961 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.381 -3.529 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.993 -3.722 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.457 -3.593 3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.648 -6.345 3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.826 -5.515 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.070 -7.965 3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.441 -7.576 4.059 1.00 0.00 H new ATOM 458 N ALA A 30 -9.056 -5.546 5.522 1.00 0.00 N ATOM 459 CA ALA A 30 -10.263 -6.389 5.307 1.00 0.00 C ATOM 460 C ALA A 30 -10.961 -5.961 4.010 1.00 0.00 C ATOM 461 O ALA A 30 -11.636 -6.738 3.366 1.00 0.00 O ATOM 462 CB ALA A 30 -11.152 -6.117 6.515 1.00 0.00 C ATOM 0 H ALA A 30 -8.930 -5.185 6.467 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.028 -7.449 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.067 -6.703 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.623 -6.396 7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.402 -5.057 6.551 1.00 0.00 H new ATOM 468 N GLY A 31 -10.787 -4.726 3.624 1.00 0.00 N ATOM 469 CA GLY A 31 -11.422 -4.226 2.370 1.00 0.00 C ATOM 470 C GLY A 31 -10.887 -2.823 2.069 1.00 0.00 C ATOM 471 O GLY A 31 -11.615 -1.946 1.648 1.00 0.00 O ATOM 0 H GLY A 31 -10.228 -4.037 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.202 -4.899 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.506 -4.200 2.481 1.00 0.00 H new ATOM 475 N ALA A 32 -9.620 -2.602 2.298 1.00 0.00 N ATOM 476 CA ALA A 32 -9.034 -1.252 2.047 1.00 0.00 C ATOM 477 C ALA A 32 -8.579 -1.100 0.596 1.00 0.00 C ATOM 478 O ALA A 32 -8.434 -2.061 -0.130 1.00 0.00 O ATOM 479 CB ALA A 32 -7.814 -1.187 2.961 1.00 0.00 C ATOM 0 H ALA A 32 -8.964 -3.300 2.649 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.763 -0.464 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.320 -0.223 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.129 -1.306 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.120 -1.986 2.699 1.00 0.00 H new ATOM 485 N ALA A 33 -8.315 0.111 0.186 1.00 0.00 N ATOM 486 CA ALA A 33 -7.822 0.345 -1.203 1.00 0.00 C ATOM 487 C ALA A 33 -6.715 1.397 -1.142 1.00 0.00 C ATOM 488 O ALA A 33 -6.650 2.177 -0.212 1.00 0.00 O ATOM 489 CB ALA A 33 -9.033 0.838 -1.990 1.00 0.00 C ATOM 0 H ALA A 33 -8.420 0.951 0.755 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.406 -0.544 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.742 1.030 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.815 0.079 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.408 1.758 -1.542 1.00 0.00 H new ATOM 495 N LEU A 34 -5.815 1.410 -2.079 1.00 0.00 N ATOM 496 CA LEU A 34 -4.709 2.399 -1.981 1.00 0.00 C ATOM 497 C LEU A 34 -4.239 2.853 -3.363 1.00 0.00 C ATOM 498 O LEU A 34 -4.389 2.151 -4.342 1.00 0.00 O ATOM 499 CB LEU A 34 -3.627 1.627 -1.205 1.00 0.00 C ATOM 500 CG LEU A 34 -2.260 1.643 -1.910 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.207 1.085 -0.948 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.299 0.757 -3.163 1.00 0.00 C ATOM 0 H LEU A 34 -5.794 0.794 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.993 3.327 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.522 2.059 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.949 0.594 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.017 2.665 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.231 1.090 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.169 1.704 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.470 0.064 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.326 0.777 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.541 -0.267 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.058 1.131 -3.850 1.00 0.00 H new ATOM 514 N ALA A 35 -3.664 4.025 -3.447 1.00 0.00 N ATOM 515 CA ALA A 35 -3.174 4.504 -4.764 1.00 0.00 C ATOM 516 C ALA A 35 -1.679 4.762 -4.685 1.00 0.00 C ATOM 517 O ALA A 35 -1.228 5.663 -4.006 1.00 0.00 O ATOM 518 CB ALA A 35 -3.935 5.800 -5.041 1.00 0.00 C ATOM 0 H ALA A 35 -3.516 4.663 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.338 3.775 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.620 6.208 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.005 5.595 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.723 6.522 -4.253 1.00 0.00 H new ATOM 524 N ILE A 36 -0.905 3.987 -5.385 1.00 0.00 N ATOM 525 CA ILE A 36 0.562 4.204 -5.345 1.00 0.00 C ATOM 526 C ILE A 36 1.006 4.874 -6.638 1.00 0.00 C ATOM 527 O ILE A 36 0.585 4.502 -7.716 1.00 0.00 O ATOM 528 CB ILE A 36 1.197 2.822 -5.242 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.543 2.034 -4.108 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.693 2.988 -4.960 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.389 0.800 -3.795 1.00 0.00 C ATOM 0 H ILE A 36 -1.221 3.220 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 36 0.853 4.838 -4.508 1.00 0.00 H new ATOM 0 HB ILE A 36 1.053 2.279 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.451 2.660 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.466 1.735 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.160 2.006 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.156 3.548 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.829 3.528 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.924 0.236 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.458 0.171 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.389 1.111 -3.493 1.00 0.00 H new ATOM 543 N ASN A 37 1.852 5.855 -6.550 1.00 0.00 N ATOM 544 CA ASN A 37 2.312 6.538 -7.787 1.00 0.00 C ATOM 545 C ASN A 37 1.110 7.134 -8.529 1.00 0.00 C ATOM 546 O ASN A 37 1.218 7.505 -9.678 1.00 0.00 O ATOM 547 CB ASN A 37 2.974 5.438 -8.619 1.00 0.00 C ATOM 548 CG ASN A 37 4.489 5.465 -8.393 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.978 5.015 -7.269 1.00 0.00 O flip ATOM 550 ND2 ASN A 37 5.235 5.896 -9.250 1.00 0.00 N flip ATOM 0 H ASN A 37 2.245 6.214 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 37 2.999 7.359 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.572 4.464 -8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.751 5.583 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.854 6.248 -10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.242 5.906 -9.091 1.00 0.00 H new ATOM 557 N GLN A 38 -0.019 7.228 -7.854 1.00 0.00 N ATOM 558 CA GLN A 38 -1.279 7.803 -8.446 1.00 0.00 C ATOM 559 C GLN A 38 -2.132 6.715 -9.103 1.00 0.00 C ATOM 560 O GLN A 38 -3.153 6.999 -9.701 1.00 0.00 O ATOM 561 CB GLN A 38 -0.857 8.894 -9.449 1.00 0.00 C ATOM 562 CG GLN A 38 -0.828 8.354 -10.887 1.00 0.00 C ATOM 563 CD GLN A 38 0.056 9.265 -11.742 1.00 0.00 C ATOM 564 OE1 GLN A 38 1.152 9.611 -11.347 1.00 0.00 O ATOM 565 NE2 GLN A 38 -0.377 9.676 -12.902 1.00 0.00 N ATOM 0 H GLN A 38 -0.121 6.920 -6.887 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.906 8.239 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.550 9.734 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.129 9.274 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.442 7.335 -10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.838 8.317 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.297 9.386 -13.235 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.204 10.287 -13.476 1.00 0.00 H new ATOM 574 N GLN A 39 -1.756 5.474 -8.970 1.00 0.00 N ATOM 575 CA GLN A 39 -2.594 4.401 -9.562 1.00 0.00 C ATOM 576 C GLN A 39 -3.343 3.669 -8.443 1.00 0.00 C ATOM 577 O GLN A 39 -2.761 2.958 -7.648 1.00 0.00 O ATOM 578 CB GLN A 39 -1.622 3.455 -10.292 1.00 0.00 C ATOM 579 CG GLN A 39 -0.970 2.486 -9.302 1.00 0.00 C ATOM 580 CD GLN A 39 0.309 1.904 -9.905 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.258 2.619 -10.159 1.00 0.00 O ATOM 582 NE2 GLN A 39 0.373 0.622 -10.140 1.00 0.00 N ATOM 0 H GLN A 39 -0.916 5.161 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.341 4.791 -10.254 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.158 2.895 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.853 4.036 -10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.740 3.004 -8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.664 1.682 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.425 0.024 -9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.221 0.218 -10.538 1.00 0.00 H new ATOM 591 N ILE A 40 -4.630 3.832 -8.358 1.00 0.00 N ATOM 592 CA ILE A 40 -5.366 3.120 -7.279 1.00 0.00 C ATOM 593 C ILE A 40 -5.451 1.643 -7.639 1.00 0.00 C ATOM 594 O ILE A 40 -6.231 1.240 -8.478 1.00 0.00 O ATOM 595 CB ILE A 40 -6.769 3.737 -7.239 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.728 5.066 -6.485 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.728 2.780 -6.520 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.242 6.168 -7.425 1.00 0.00 C ATOM 0 H ILE A 40 -5.196 4.415 -8.974 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.873 3.212 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.114 3.908 -8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.719 5.310 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.064 4.988 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.726 3.218 -6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.764 1.831 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.377 2.610 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.212 7.117 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.243 5.924 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.924 6.251 -8.272 1.00 0.00 H new ATOM 610 N VAL A 41 -4.652 0.831 -7.015 1.00 0.00 N ATOM 611 CA VAL A 41 -4.697 -0.614 -7.333 1.00 0.00 C ATOM 612 C VAL A 41 -5.648 -1.319 -6.413 1.00 0.00 C ATOM 613 O VAL A 41 -5.711 -1.024 -5.237 1.00 0.00 O ATOM 614 CB VAL A 41 -3.318 -1.160 -7.059 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.309 -2.646 -7.417 1.00 0.00 C ATOM 616 CG2 VAL A 41 -2.295 -0.413 -7.905 1.00 0.00 C ATOM 0 H VAL A 41 -3.974 1.104 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.014 -0.761 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.062 -1.030 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.319 -3.060 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.046 -3.171 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.556 -2.768 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.299 -0.809 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.532 -0.542 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.321 0.648 -7.655 1.00 0.00 H new ATOM 626 N PRO A 42 -6.324 -2.262 -6.962 1.00 0.00 N ATOM 627 CA PRO A 42 -7.240 -3.050 -6.156 1.00 0.00 C ATOM 628 C PRO A 42 -6.472 -3.993 -5.260 1.00 0.00 C ATOM 629 O PRO A 42 -5.672 -4.788 -5.698 1.00 0.00 O ATOM 630 CB PRO A 42 -8.047 -3.811 -7.159 1.00 0.00 C ATOM 631 CG PRO A 42 -7.200 -3.883 -8.387 1.00 0.00 C ATOM 632 CD PRO A 42 -6.306 -2.676 -8.367 1.00 0.00 C ATOM 0 HA PRO A 42 -7.861 -2.438 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.289 -4.808 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.992 -3.308 -7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.611 -4.800 -8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.819 -3.891 -9.284 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.297 -2.918 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.679 -1.889 -9.022 1.00 0.00 H new ATOM 640 N ARG A 43 -6.740 -3.878 -4.012 1.00 0.00 N ATOM 641 CA ARG A 43 -6.083 -4.731 -2.966 1.00 0.00 C ATOM 642 C ARG A 43 -5.574 -6.053 -3.531 1.00 0.00 C ATOM 643 O ARG A 43 -4.448 -6.451 -3.324 1.00 0.00 O ATOM 644 CB ARG A 43 -7.182 -5.033 -1.942 1.00 0.00 C ATOM 645 CG ARG A 43 -8.498 -5.383 -2.643 1.00 0.00 C ATOM 646 CD ARG A 43 -9.658 -4.672 -1.944 1.00 0.00 C ATOM 647 NE ARG A 43 -10.874 -5.152 -2.652 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.735 -4.298 -3.126 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.976 -3.184 -2.489 1.00 0.00 N ATOM 650 NH2 ARG A 43 -12.352 -4.555 -4.245 1.00 0.00 N ATOM 0 H ARG A 43 -7.411 -3.207 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.221 -4.211 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.873 -5.861 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.329 -4.169 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.454 -5.085 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.656 -6.461 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.693 -4.920 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.560 -3.589 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.034 -6.153 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.489 -2.980 -1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.651 -2.518 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.160 -5.422 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.027 -3.889 -4.620 1.00 0.00 H new ATOM 664 N GLU A 44 -6.421 -6.735 -4.220 1.00 0.00 N ATOM 665 CA GLU A 44 -6.068 -8.048 -4.798 1.00 0.00 C ATOM 666 C GLU A 44 -4.666 -8.054 -5.426 1.00 0.00 C ATOM 667 O GLU A 44 -4.018 -9.078 -5.487 1.00 0.00 O ATOM 668 CB GLU A 44 -7.159 -8.238 -5.831 1.00 0.00 C ATOM 669 CG GLU A 44 -6.844 -9.443 -6.717 1.00 0.00 C ATOM 670 CD GLU A 44 -6.805 -10.705 -5.855 1.00 0.00 C ATOM 671 OE1 GLU A 44 -7.495 -10.731 -4.848 1.00 0.00 O ATOM 672 OE2 GLU A 44 -6.088 -11.624 -6.213 1.00 0.00 O ATOM 0 H GLU A 44 -7.375 -6.430 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.019 -8.849 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.118 -8.384 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.250 -7.341 -6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.599 -9.544 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.886 -9.301 -7.218 1.00 0.00 H new ATOM 679 N GLN A 45 -4.181 -6.935 -5.890 1.00 0.00 N ATOM 680 CA GLN A 45 -2.817 -6.927 -6.498 1.00 0.00 C ATOM 681 C GLN A 45 -1.763 -6.628 -5.432 1.00 0.00 C ATOM 682 O GLN A 45 -0.626 -7.005 -5.576 1.00 0.00 O ATOM 683 CB GLN A 45 -2.832 -5.823 -7.554 1.00 0.00 C ATOM 684 CG GLN A 45 -3.944 -6.086 -8.573 1.00 0.00 C ATOM 685 CD GLN A 45 -3.704 -7.433 -9.258 1.00 0.00 C ATOM 686 OE1 GLN A 45 -2.646 -8.014 -9.129 1.00 0.00 O ATOM 687 NE2 GLN A 45 -4.651 -7.955 -9.988 1.00 0.00 N ATOM 0 H GLN A 45 -4.662 -6.035 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.569 -7.894 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.986 -4.855 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.867 -5.779 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.914 -6.087 -8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.967 -5.288 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.540 -7.466 -10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.503 -8.852 -10.451 1.00 0.00 H new ATOM 696 N TRP A 46 -2.125 -5.966 -4.366 1.00 0.00 N ATOM 697 CA TRP A 46 -1.141 -5.673 -3.295 1.00 0.00 C ATOM 698 C TRP A 46 -0.209 -6.869 -3.083 1.00 0.00 C ATOM 699 O TRP A 46 0.971 -6.714 -2.861 1.00 0.00 O ATOM 700 CB TRP A 46 -2.003 -5.452 -2.050 1.00 0.00 C ATOM 701 CG TRP A 46 -2.785 -4.174 -2.174 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.875 -3.411 -3.290 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.589 -3.500 -1.161 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.685 -2.319 -3.024 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.149 -2.330 -1.724 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.886 -3.792 0.176 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.974 -1.481 -0.980 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.711 -2.939 0.923 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.255 -1.785 0.346 1.00 0.00 C ATOM 0 H TRP A 46 -3.067 -5.615 -4.194 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.508 -4.818 -3.531 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.685 -6.292 -1.918 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.370 -5.414 -1.164 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.393 -3.620 -4.234 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.911 -1.595 -3.706 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.477 -4.680 0.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.390 -0.594 -1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.929 -3.175 1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.890 -1.134 0.929 1.00 0.00 H new ATOM 720 N ALA A 47 -0.733 -8.056 -3.144 1.00 0.00 N ATOM 721 CA ALA A 47 0.115 -9.267 -2.945 1.00 0.00 C ATOM 722 C ALA A 47 1.039 -9.489 -4.144 1.00 0.00 C ATOM 723 O ALA A 47 1.950 -10.293 -4.103 1.00 0.00 O ATOM 724 CB ALA A 47 -0.890 -10.400 -2.845 1.00 0.00 C ATOM 0 H ALA A 47 -1.719 -8.245 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 47 0.759 -9.185 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.362 -11.342 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.557 -10.221 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.473 -10.452 -3.765 1.00 0.00 H new ATOM 730 N GLN A 48 0.813 -8.775 -5.205 1.00 0.00 N ATOM 731 CA GLN A 48 1.665 -8.924 -6.410 1.00 0.00 C ATOM 732 C GLN A 48 2.164 -7.538 -6.839 1.00 0.00 C ATOM 733 O GLN A 48 2.808 -7.380 -7.854 1.00 0.00 O ATOM 734 CB GLN A 48 0.745 -9.547 -7.473 1.00 0.00 C ATOM 735 CG GLN A 48 0.198 -10.878 -6.944 1.00 0.00 C ATOM 736 CD GLN A 48 -0.833 -11.469 -7.921 1.00 0.00 C ATOM 737 OE1 GLN A 48 -1.490 -10.686 -8.736 1.00 0.00 O flip ATOM 738 NE2 GLN A 48 -1.045 -12.666 -7.936 1.00 0.00 N flip ATOM 0 H GLN A 48 0.065 -8.086 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 48 2.545 -9.546 -6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.076 -8.868 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.296 -9.708 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.017 -11.583 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.264 -10.725 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.536 -13.282 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.732 -13.054 -8.582 1.00 0.00 H new ATOM 747 N HIS A 49 1.858 -6.532 -6.060 1.00 0.00 N ATOM 748 CA HIS A 49 2.296 -5.148 -6.399 1.00 0.00 C ATOM 749 C HIS A 49 3.599 -4.806 -5.662 1.00 0.00 C ATOM 750 O HIS A 49 3.593 -4.085 -4.686 1.00 0.00 O ATOM 751 CB HIS A 49 1.137 -4.270 -5.917 1.00 0.00 C ATOM 752 CG HIS A 49 1.321 -2.848 -6.394 1.00 0.00 C ATOM 753 ND1 HIS A 49 2.426 -2.156 -6.831 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 0.266 -1.947 -6.457 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 2.065 -0.852 -7.158 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 0.755 -0.779 -6.915 1.00 0.00 N flip ATOM 0 H HIS A 49 1.319 -6.613 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 49 2.506 -5.010 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.193 -4.666 -6.290 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.084 -4.291 -4.828 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.368 -2.540 -6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.761 -2.147 -6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.708 -0.067 -7.529 1.00 0.00 H new ATOM 764 N ILE A 50 4.714 -5.320 -6.132 1.00 0.00 N ATOM 765 CA ILE A 50 6.024 -5.042 -5.468 1.00 0.00 C ATOM 766 C ILE A 50 6.227 -3.535 -5.297 1.00 0.00 C ATOM 767 O ILE A 50 6.066 -2.757 -6.215 1.00 0.00 O ATOM 768 CB ILE A 50 7.090 -5.633 -6.395 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.059 -7.159 -6.293 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.470 -5.138 -5.967 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.574 -7.591 -4.917 1.00 0.00 C ATOM 0 H ILE A 50 4.769 -5.924 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 50 6.075 -5.481 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 50 6.888 -5.323 -7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.043 -7.523 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.675 -7.599 -7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.228 -5.559 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.501 -4.050 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.667 -5.451 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.552 -8.678 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.597 -7.240 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.940 -7.163 -4.140 1.00 0.00 H new ATOM 783 N VAL A 51 6.551 -3.135 -4.104 1.00 0.00 N ATOM 784 CA VAL A 51 6.745 -1.688 -3.789 1.00 0.00 C ATOM 785 C VAL A 51 8.218 -1.282 -3.974 1.00 0.00 C ATOM 786 O VAL A 51 9.117 -2.069 -3.749 1.00 0.00 O ATOM 787 CB VAL A 51 6.319 -1.612 -2.327 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.277 -0.166 -1.867 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.925 -2.235 -2.195 1.00 0.00 C ATOM 0 H VAL A 51 6.694 -3.762 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 51 6.182 -1.014 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 51 7.035 -2.152 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.971 -0.126 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.267 0.279 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.563 0.389 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.603 -2.190 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.220 -1.684 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.959 -3.275 -2.519 1.00 0.00 H new ATOM 799 N GLN A 52 8.472 -0.069 -4.407 1.00 0.00 N ATOM 800 CA GLN A 52 9.890 0.360 -4.634 1.00 0.00 C ATOM 801 C GLN A 52 10.333 1.483 -3.706 1.00 0.00 C ATOM 802 O GLN A 52 9.543 2.259 -3.211 1.00 0.00 O ATOM 803 CB GLN A 52 9.925 0.905 -6.048 1.00 0.00 C ATOM 804 CG GLN A 52 9.745 -0.232 -7.053 1.00 0.00 C ATOM 805 CD GLN A 52 11.052 -1.021 -7.170 1.00 0.00 C ATOM 806 OE1 GLN A 52 11.348 -1.910 -6.260 1.00 0.00 O flip ATOM 807 NE2 GLN A 52 11.810 -0.828 -8.100 1.00 0.00 N flip ATOM 0 H GLN A 52 7.765 0.637 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 52 10.551 -0.488 -4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.137 1.646 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.873 1.413 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.938 -0.890 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.462 0.170 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.579 -0.134 -8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.677 -1.360 -8.170 1.00 0.00 H new ATOM 816 N ASP A 53 11.617 1.587 -3.516 1.00 0.00 N ATOM 817 CA ASP A 53 12.173 2.668 -2.667 1.00 0.00 C ATOM 818 C ASP A 53 11.694 4.016 -3.196 1.00 0.00 C ATOM 819 O ASP A 53 12.022 4.449 -4.283 1.00 0.00 O ATOM 820 CB ASP A 53 13.684 2.498 -2.773 1.00 0.00 C ATOM 821 CG ASP A 53 14.395 3.853 -2.708 1.00 0.00 C ATOM 822 OD1 ASP A 53 14.699 4.289 -1.609 1.00 0.00 O ATOM 823 OD2 ASP A 53 14.621 4.430 -3.759 1.00 0.00 O ATOM 0 H ASP A 53 12.312 0.959 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 53 11.855 2.623 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.039 1.858 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.932 1.998 -3.709 1.00 0.00 H new ATOM 828 N GLY A 54 10.869 4.626 -2.427 1.00 0.00 N ATOM 829 CA GLY A 54 10.244 5.916 -2.798 1.00 0.00 C ATOM 830 C GLY A 54 8.759 5.624 -2.984 1.00 0.00 C ATOM 831 O GLY A 54 7.973 6.477 -3.358 1.00 0.00 O ATOM 0 H GLY A 54 10.584 4.274 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.400 6.664 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.682 6.313 -3.714 1.00 0.00 H new ATOM 835 N ASP A 55 8.380 4.393 -2.722 1.00 0.00 N ATOM 836 CA ASP A 55 6.962 3.983 -2.872 1.00 0.00 C ATOM 837 C ASP A 55 6.018 5.096 -2.414 1.00 0.00 C ATOM 838 O ASP A 55 6.220 5.715 -1.401 1.00 0.00 O ATOM 839 CB ASP A 55 6.818 2.769 -1.955 1.00 0.00 C ATOM 840 CG ASP A 55 5.335 2.478 -1.709 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.547 2.706 -2.611 1.00 0.00 O ATOM 842 OD2 ASP A 55 5.016 2.024 -0.622 1.00 0.00 O ATOM 0 H ASP A 55 9.007 3.653 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 55 6.709 3.766 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.298 1.901 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.324 2.955 -1.007 1.00 0.00 H new ATOM 847 N GLN A 56 4.964 5.327 -3.123 1.00 0.00 N ATOM 848 CA GLN A 56 3.995 6.361 -2.677 1.00 0.00 C ATOM 849 C GLN A 56 2.651 5.672 -2.503 1.00 0.00 C ATOM 850 O GLN A 56 2.341 4.754 -3.215 1.00 0.00 O ATOM 851 CB GLN A 56 3.949 7.405 -3.787 1.00 0.00 C ATOM 852 CG GLN A 56 2.681 8.233 -3.624 1.00 0.00 C ATOM 853 CD GLN A 56 2.999 9.722 -3.799 1.00 0.00 C ATOM 854 OE1 GLN A 56 2.739 10.291 -4.840 1.00 0.00 O ATOM 855 NE2 GLN A 56 3.551 10.383 -2.817 1.00 0.00 N ATOM 0 H GLN A 56 4.726 4.849 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 56 4.265 6.839 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.829 8.047 -3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.961 6.920 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.938 7.923 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.248 8.059 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.770 9.907 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.763 11.375 -2.925 1.00 0.00 H new ATOM 864 N ILE A 57 1.864 6.051 -1.551 1.00 0.00 N ATOM 865 CA ILE A 57 0.581 5.326 -1.387 1.00 0.00 C ATOM 866 C ILE A 57 -0.577 6.235 -1.002 1.00 0.00 C ATOM 867 O ILE A 57 -0.452 7.123 -0.181 1.00 0.00 O ATOM 868 CB ILE A 57 0.825 4.360 -0.247 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.781 3.253 -0.660 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.503 3.736 0.177 1.00 0.00 C ATOM 871 CD1 ILE A 57 2.067 2.401 0.572 1.00 0.00 C ATOM 0 H ILE A 57 2.041 6.810 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 57 0.302 4.854 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 57 1.270 4.913 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.343 2.645 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.705 3.674 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.332 3.040 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.186 4.520 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.940 3.202 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.752 1.596 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.518 3.021 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.135 1.976 0.945 1.00 0.00 H new ATOM 883 N LEU A 58 -1.725 5.941 -1.523 1.00 0.00 N ATOM 884 CA LEU A 58 -2.933 6.693 -1.132 1.00 0.00 C ATOM 885 C LEU A 58 -3.811 5.718 -0.345 1.00 0.00 C ATOM 886 O LEU A 58 -3.750 4.530 -0.565 1.00 0.00 O ATOM 887 CB LEU A 58 -3.582 7.154 -2.427 1.00 0.00 C ATOM 888 CG LEU A 58 -4.446 8.389 -2.156 1.00 0.00 C ATOM 889 CD1 LEU A 58 -3.552 9.610 -1.908 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.330 8.649 -3.374 1.00 0.00 C ATOM 0 H LEU A 58 -1.878 5.203 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.744 7.567 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.816 7.388 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.194 6.354 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.063 8.215 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.175 10.484 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.913 9.424 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.932 9.792 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.950 9.527 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.703 8.822 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.969 7.784 -3.551 1.00 0.00 H new ATOM 902 N LEU A 59 -4.565 6.173 0.609 1.00 0.00 N ATOM 903 CA LEU A 59 -5.367 5.210 1.423 1.00 0.00 C ATOM 904 C LEU A 59 -6.872 5.322 1.158 1.00 0.00 C ATOM 905 O LEU A 59 -7.437 6.398 1.121 1.00 0.00 O ATOM 906 CB LEU A 59 -5.049 5.596 2.871 1.00 0.00 C ATOM 907 CG LEU A 59 -5.634 4.572 3.854 1.00 0.00 C ATOM 908 CD1 LEU A 59 -7.163 4.656 3.854 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.202 3.160 3.456 1.00 0.00 C ATOM 0 H LEU A 59 -4.665 7.156 0.863 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.114 4.178 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.969 5.659 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.455 6.585 3.085 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.262 4.796 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.568 3.925 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.472 5.657 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.539 4.445 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.621 2.440 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.562 2.939 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.114 3.094 3.474 1.00 0.00 H new ATOM 921 N PHE A 60 -7.523 4.200 1.020 1.00 0.00 N ATOM 922 CA PHE A 60 -8.997 4.192 0.810 1.00 0.00 C ATOM 923 C PHE A 60 -9.637 3.408 1.959 1.00 0.00 C ATOM 924 O PHE A 60 -9.048 2.475 2.481 1.00 0.00 O ATOM 925 CB PHE A 60 -9.209 3.486 -0.523 1.00 0.00 C ATOM 926 CG PHE A 60 -8.703 4.376 -1.630 1.00 0.00 C ATOM 927 CD1 PHE A 60 -7.329 4.562 -1.807 1.00 0.00 C ATOM 928 CD2 PHE A 60 -9.611 5.022 -2.478 1.00 0.00 C ATOM 929 CE1 PHE A 60 -6.862 5.394 -2.830 1.00 0.00 C ATOM 930 CE2 PHE A 60 -9.144 5.854 -3.503 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.768 6.039 -3.679 1.00 0.00 C ATOM 0 H PHE A 60 -7.090 3.277 1.044 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.441 5.187 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.680 2.533 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.266 3.266 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.628 4.063 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.673 4.878 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.800 5.539 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.845 6.352 -4.157 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.406 6.679 -4.470 1.00 0.00 H new ATOM 941 N GLN A 61 -10.818 3.785 2.375 1.00 0.00 N ATOM 942 CA GLN A 61 -11.466 3.080 3.522 1.00 0.00 C ATOM 943 C GLN A 61 -12.322 1.900 3.047 1.00 0.00 C ATOM 944 O GLN A 61 -12.707 1.813 1.898 1.00 0.00 O ATOM 945 CB GLN A 61 -12.344 4.147 4.178 1.00 0.00 C ATOM 946 CG GLN A 61 -11.490 5.369 4.533 1.00 0.00 C ATOM 947 CD GLN A 61 -11.407 5.525 6.054 1.00 0.00 C ATOM 948 OE1 GLN A 61 -12.396 5.791 6.705 1.00 0.00 O ATOM 949 NE2 GLN A 61 -10.254 5.372 6.649 1.00 0.00 N ATOM 0 H GLN A 61 -11.361 4.548 1.972 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.729 2.658 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.148 4.437 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.813 3.745 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.489 5.258 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.922 6.266 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.423 5.148 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.185 5.476 7.661 1.00 0.00 H new ATOM 958 N VAL A 62 -12.606 0.984 3.940 1.00 0.00 N ATOM 959 CA VAL A 62 -13.425 -0.213 3.580 1.00 0.00 C ATOM 960 C VAL A 62 -14.557 0.168 2.625 1.00 0.00 C ATOM 961 O VAL A 62 -15.141 1.226 2.727 1.00 0.00 O ATOM 962 CB VAL A 62 -13.988 -0.699 4.910 1.00 0.00 C ATOM 963 CG1 VAL A 62 -14.659 0.470 5.630 1.00 0.00 C ATOM 964 CG2 VAL A 62 -15.015 -1.804 4.660 1.00 0.00 C ATOM 0 H VAL A 62 -12.302 1.016 4.913 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.838 -0.977 3.069 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.180 -1.093 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -15.063 0.127 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.926 1.256 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -15.467 0.862 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -15.416 -2.150 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -15.826 -1.415 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -14.536 -2.636 4.144 1.00 0.00 H new ATOM 974 N ILE A 63 -14.877 -0.698 1.705 1.00 0.00 N ATOM 975 CA ILE A 63 -15.977 -0.400 0.749 1.00 0.00 C ATOM 976 C ILE A 63 -17.046 -1.476 0.877 1.00 0.00 C ATOM 977 O ILE A 63 -16.934 -2.548 0.313 1.00 0.00 O ATOM 978 CB ILE A 63 -15.317 -0.427 -0.625 1.00 0.00 C ATOM 979 CG1 ILE A 63 -14.065 0.452 -0.577 1.00 0.00 C ATOM 980 CG2 ILE A 63 -16.289 0.117 -1.675 1.00 0.00 C ATOM 981 CD1 ILE A 63 -12.819 -0.434 -0.531 1.00 0.00 C ATOM 0 H ILE A 63 -14.422 -1.602 1.574 1.00 0.00 H new ATOM 0 HA ILE A 63 -16.464 0.558 0.930 1.00 0.00 H new ATOM 0 HB ILE A 63 -15.047 -1.449 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.030 1.101 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.096 1.099 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.814 0.096 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -17.187 -0.500 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -16.559 1.143 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.928 0.193 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.853 -1.064 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.786 -1.063 -1.421 1.00 0.00 H new ATOM 993 N ALA A 64 -18.066 -1.213 1.635 1.00 0.00 N ATOM 994 CA ALA A 64 -19.122 -2.234 1.825 1.00 0.00 C ATOM 995 C ALA A 64 -20.493 -1.697 1.419 1.00 0.00 C ATOM 996 O ALA A 64 -20.685 -0.511 1.239 1.00 0.00 O ATOM 997 CB ALA A 64 -19.071 -2.524 3.316 1.00 0.00 C ATOM 0 H ALA A 64 -18.214 -0.334 2.131 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.964 -3.122 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.820 -3.275 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.081 -2.897 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.274 -1.609 3.872 1.00 0.00 H new ATOM 1003 N GLY A 65 -21.447 -2.574 1.283 1.00 0.00 N ATOM 1004 CA GLY A 65 -22.821 -2.148 0.897 1.00 0.00 C ATOM 1005 C GLY A 65 -23.780 -3.315 1.133 1.00 0.00 C ATOM 1006 O GLY A 65 -23.907 -4.202 0.310 1.00 0.00 O ATOM 0 H GLY A 65 -21.333 -3.578 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -23.127 -1.282 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -22.843 -1.847 -0.150 1.00 0.00 H new ATOM 1010 N GLY A 66 -24.448 -3.332 2.254 1.00 0.00 N ATOM 1011 CA GLY A 66 -25.388 -4.453 2.538 1.00 0.00 C ATOM 1012 C GLY A 66 -25.803 -4.414 4.009 1.00 0.00 C ATOM 1013 O GLY A 66 -25.760 -3.342 4.589 1.00 0.00 O ATOM 1014 OXT GLY A 66 -26.160 -5.458 4.530 1.00 0.00 O ATOM 0 H GLY A 66 -24.384 -2.621 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -26.268 -4.374 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.912 -5.407 2.309 1.00 0.00 H new TER 1018 GLY A 66