USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 686 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 80 THR OG1 : rot -26:sc= 0.0387 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 2 GLN :FLIP amide:sc= -0.103 F(o=-0.87,f=-0.15) USER MOD Set 2.2: A 3 HIS :FLIP no HD1:sc= -0.0478 X(o=-0.41,f=-0.15) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.41 (180deg=-1.12) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A -1 SER N :NH3+ -150:sc= 0.256 (180deg=0.0131) USER MOD Single : A -1 SER OG : rot 45:sc= 0.135 USER MOD Single : A 33 ASN : amide:sc= -2.68! C(o=-2.7!,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -0.556 (180deg=-1.02!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.4 USER MOD Single : A 65 HIS : no HE2:sc= -9.34! C(o=-9.3!,f=-21!) USER MOD Single : A 68 SER OG : rot 130:sc= -0.991 USER MOD Single : A 71 SER OG : rot -36:sc= -0.528 USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -5.28! (180deg=-5.55!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 8.472 -7.667 -8.792 1.00 0.00 N ATOM 2 CA SER A -1 8.021 -6.981 -7.548 1.00 0.00 C ATOM 3 C SER A -1 9.186 -6.895 -6.562 1.00 0.00 C ATOM 4 O SER A -1 9.752 -7.894 -6.165 1.00 0.00 O ATOM 5 CB SER A -1 6.877 -7.773 -6.916 1.00 0.00 C ATOM 6 OG SER A -1 7.123 -9.165 -7.078 1.00 0.00 O ATOM 0 H1 SER A -1 7.930 -7.307 -9.603 1.00 0.00 H new ATOM 0 H2 SER A -1 9.484 -7.482 -8.943 1.00 0.00 H new ATOM 0 H3 SER A -1 8.317 -8.691 -8.699 1.00 0.00 H new ATOM 0 HA SER A -1 7.677 -5.976 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A -1 6.791 -7.528 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A -1 5.930 -7.502 -7.384 1.00 0.00 H new ATOM 0 HG SER A -1 8.059 -9.359 -6.861 1.00 0.00 H new ATOM 14 N GLU A 0 9.549 -5.708 -6.161 1.00 0.00 N ATOM 15 CA GLU A 0 10.677 -5.559 -5.199 1.00 0.00 C ATOM 16 C GLU A 0 10.324 -6.269 -3.890 1.00 0.00 C ATOM 17 O GLU A 0 11.178 -6.818 -3.222 1.00 0.00 O ATOM 18 CB GLU A 0 10.923 -4.074 -4.925 1.00 0.00 C ATOM 19 CG GLU A 0 11.378 -3.385 -6.214 1.00 0.00 C ATOM 20 CD GLU A 0 11.689 -1.916 -5.924 1.00 0.00 C ATOM 21 OE1 GLU A 0 11.389 -1.472 -4.829 1.00 0.00 O ATOM 22 OE2 GLU A 0 12.223 -1.259 -6.804 1.00 0.00 O ATOM 0 H GLU A 0 9.113 -4.835 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 0 11.578 -6.002 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 0 10.012 -3.606 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 0 11.681 -3.957 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 0 12.262 -3.883 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 0 10.600 -3.460 -6.973 1.00 0.00 H new ATOM 29 N MET A 1 9.072 -6.260 -3.520 1.00 0.00 N ATOM 30 CA MET A 1 8.656 -6.927 -2.260 1.00 0.00 C ATOM 31 C MET A 1 7.817 -8.154 -2.603 1.00 0.00 C ATOM 32 O MET A 1 8.251 -9.047 -3.302 1.00 0.00 O ATOM 33 CB MET A 1 7.808 -5.954 -1.440 1.00 0.00 C ATOM 34 CG MET A 1 8.617 -4.683 -1.177 1.00 0.00 C ATOM 35 SD MET A 1 7.766 -3.662 0.051 1.00 0.00 S ATOM 36 CE MET A 1 8.081 -4.713 1.491 1.00 0.00 C ATOM 0 H MET A 1 8.317 -5.815 -4.042 1.00 0.00 H new ATOM 0 HA MET A 1 9.534 -7.226 -1.688 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.890 -5.711 -1.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.514 -6.414 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.614 -4.942 -0.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.745 -4.123 -2.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.928 -4.136 2.403 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.396 -5.561 1.479 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.108 -5.076 1.459 1.00 0.00 H new ATOM 46 N GLN A 2 6.606 -8.186 -2.128 1.00 0.00 N ATOM 47 CA GLN A 2 5.708 -9.332 -2.431 1.00 0.00 C ATOM 48 C GLN A 2 4.613 -8.832 -3.371 1.00 0.00 C ATOM 49 O GLN A 2 3.791 -8.020 -2.996 1.00 0.00 O ATOM 50 CB GLN A 2 5.079 -9.850 -1.135 1.00 0.00 C ATOM 51 CG GLN A 2 4.265 -11.112 -1.426 1.00 0.00 C ATOM 52 CD GLN A 2 5.213 -12.276 -1.719 1.00 0.00 C ATOM 53 OE1 GLN A 2 5.189 -12.841 -2.895 1.00 0.00 O flip ATOM 54 NE2 GLN A 2 5.982 -12.676 -0.868 1.00 0.00 N flip ATOM 0 H GLN A 2 6.196 -7.462 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 2 6.268 -10.144 -2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.857 -10.068 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.437 -9.084 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.630 -11.352 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.605 -10.944 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.000 -12.234 0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.609 -13.454 -1.073 1.00 0.00 H new ATOM 63 N HIS A 3 4.602 -9.284 -4.594 1.00 0.00 N ATOM 64 CA HIS A 3 3.565 -8.793 -5.536 1.00 0.00 C ATOM 65 C HIS A 3 3.514 -7.268 -5.424 1.00 0.00 C ATOM 66 O HIS A 3 2.496 -6.646 -5.658 1.00 0.00 O ATOM 67 CB HIS A 3 2.205 -9.386 -5.162 1.00 0.00 C ATOM 68 CG HIS A 3 2.303 -10.887 -5.136 1.00 0.00 C ATOM 69 ND1 HIS A 3 3.240 -11.755 -5.643 1.00 0.00 N flip ATOM 70 CD2 HIS A 3 1.344 -11.681 -4.522 1.00 0.00 C flip ATOM 71 CE1 HIS A 3 2.868 -13.061 -5.349 1.00 0.00 C flip ATOM 72 NE2 HIS A 3 1.722 -12.964 -4.673 1.00 0.00 N flip ATOM 0 H HIS A 3 5.259 -9.964 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 3 3.805 -9.091 -6.557 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.890 -9.014 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.449 -9.073 -5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.456 -11.333 -4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.396 -13.965 -5.613 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.198 -13.762 -4.315 1.00 0.00 H new ATOM 81 N ALA A 4 4.614 -6.668 -5.048 1.00 0.00 N ATOM 82 CA ALA A 4 4.652 -5.186 -4.895 1.00 0.00 C ATOM 83 C ALA A 4 4.292 -4.514 -6.224 1.00 0.00 C ATOM 84 O ALA A 4 3.537 -3.562 -6.264 1.00 0.00 O ATOM 85 CB ALA A 4 6.063 -4.761 -4.485 1.00 0.00 C ATOM 0 H ALA A 4 5.491 -7.145 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 4 3.933 -4.884 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.098 -3.678 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.325 -5.234 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.773 -5.068 -5.253 1.00 0.00 H new ATOM 91 N SER A 5 4.830 -4.999 -7.309 1.00 0.00 N ATOM 92 CA SER A 5 4.525 -4.384 -8.633 1.00 0.00 C ATOM 93 C SER A 5 3.049 -4.589 -8.980 1.00 0.00 C ATOM 94 O SER A 5 2.438 -3.768 -9.634 1.00 0.00 O ATOM 95 CB SER A 5 5.394 -5.036 -9.709 1.00 0.00 C ATOM 96 OG SER A 5 5.007 -6.395 -9.865 1.00 0.00 O ATOM 0 H SER A 5 5.468 -5.795 -7.337 1.00 0.00 H new ATOM 0 HA SER A 5 4.736 -3.316 -8.586 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.284 -4.504 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.446 -4.975 -9.430 1.00 0.00 H new ATOM 0 HG SER A 5 5.561 -6.816 -10.555 1.00 0.00 H new ATOM 102 N VAL A 6 2.470 -5.677 -8.554 1.00 0.00 N ATOM 103 CA VAL A 6 1.036 -5.924 -8.872 1.00 0.00 C ATOM 104 C VAL A 6 0.170 -4.871 -8.183 1.00 0.00 C ATOM 105 O VAL A 6 -0.708 -4.284 -8.783 1.00 0.00 O ATOM 106 CB VAL A 6 0.636 -7.313 -8.380 1.00 0.00 C ATOM 107 CG1 VAL A 6 -0.875 -7.495 -8.535 1.00 0.00 C ATOM 108 CG2 VAL A 6 1.365 -8.376 -9.206 1.00 0.00 C ATOM 0 H VAL A 6 2.926 -6.403 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 6 0.890 -5.864 -9.950 1.00 0.00 H new ATOM 0 HB VAL A 6 0.908 -7.418 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.160 -8.487 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.395 -6.739 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.148 -7.390 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.080 -9.368 -8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.093 -8.270 -10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.442 -8.248 -9.095 1.00 0.00 H new ATOM 118 N ILE A 7 0.411 -4.627 -6.928 1.00 0.00 N ATOM 119 CA ILE A 7 -0.393 -3.614 -6.194 1.00 0.00 C ATOM 120 C ILE A 7 -0.239 -2.249 -6.865 1.00 0.00 C ATOM 121 O ILE A 7 -1.204 -1.560 -7.124 1.00 0.00 O ATOM 122 CB ILE A 7 0.106 -3.527 -4.752 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.022 -4.898 -4.086 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.733 -2.506 -3.981 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.692 -4.876 -2.734 1.00 0.00 C ATOM 0 H ILE A 7 1.134 -5.088 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.443 -3.905 -6.206 1.00 0.00 H new ATOM 0 HB ILE A 7 1.151 -3.215 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.073 -5.152 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.411 -5.667 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.377 -2.444 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.643 -1.529 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.778 -2.816 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.601 -5.853 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.746 -4.641 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.238 -4.118 -2.095 1.00 0.00 H new ATOM 137 N ALA A 8 0.973 -1.851 -7.136 1.00 0.00 N ATOM 138 CA ALA A 8 1.200 -0.524 -7.777 1.00 0.00 C ATOM 139 C ALA A 8 0.567 -0.481 -9.173 1.00 0.00 C ATOM 140 O ALA A 8 -0.043 0.498 -9.553 1.00 0.00 O ATOM 141 CB ALA A 8 2.704 -0.275 -7.897 1.00 0.00 C ATOM 0 H ALA A 8 1.818 -2.388 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 8 0.738 0.247 -7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.876 0.694 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.155 -0.284 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.155 -1.058 -8.507 1.00 0.00 H new ATOM 147 N GLN A 9 0.724 -1.518 -9.950 1.00 0.00 N ATOM 148 CA GLN A 9 0.144 -1.502 -11.325 1.00 0.00 C ATOM 149 C GLN A 9 -1.386 -1.542 -11.272 1.00 0.00 C ATOM 150 O GLN A 9 -2.059 -0.778 -11.934 1.00 0.00 O ATOM 151 CB GLN A 9 0.651 -2.725 -12.093 1.00 0.00 C ATOM 152 CG GLN A 9 0.163 -2.665 -13.541 1.00 0.00 C ATOM 153 CD GLN A 9 0.577 -3.942 -14.273 1.00 0.00 C ATOM 154 OE1 GLN A 9 1.701 -4.387 -14.153 1.00 0.00 O ATOM 155 NE2 GLN A 9 -0.290 -4.555 -15.032 1.00 0.00 N ATOM 0 H GLN A 9 1.224 -2.370 -9.696 1.00 0.00 H new ATOM 0 HA GLN A 9 0.451 -0.583 -11.824 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.740 -2.756 -12.068 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.295 -3.638 -11.617 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.921 -2.554 -13.566 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.584 -1.793 -14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.234 -4.181 -15.133 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.024 -5.408 -15.524 1.00 0.00 H new ATOM 164 N PHE A 10 -1.940 -2.425 -10.493 1.00 0.00 N ATOM 165 CA PHE A 10 -3.426 -2.513 -10.409 1.00 0.00 C ATOM 166 C PHE A 10 -3.990 -1.299 -9.669 1.00 0.00 C ATOM 167 O PHE A 10 -4.932 -0.674 -10.116 1.00 0.00 O ATOM 168 CB PHE A 10 -3.822 -3.812 -9.700 1.00 0.00 C ATOM 169 CG PHE A 10 -4.809 -3.528 -8.595 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.067 -2.984 -8.889 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.465 -3.820 -7.273 1.00 0.00 C ATOM 172 CE1 PHE A 10 -6.976 -2.731 -7.854 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.372 -3.568 -6.240 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.628 -3.022 -6.529 1.00 0.00 C ATOM 0 H PHE A 10 -1.431 -3.090 -9.911 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.844 -2.518 -11.416 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.259 -4.507 -10.417 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.935 -4.294 -9.289 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.335 -2.761 -9.911 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.496 -4.241 -7.049 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.946 -2.311 -8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.104 -3.795 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.328 -2.825 -5.731 1.00 0.00 H new ATOM 184 N VAL A 11 -3.435 -0.963 -8.539 1.00 0.00 N ATOM 185 CA VAL A 11 -3.959 0.208 -7.778 1.00 0.00 C ATOM 186 C VAL A 11 -3.851 1.472 -8.635 1.00 0.00 C ATOM 187 O VAL A 11 -4.727 2.314 -8.626 1.00 0.00 O ATOM 188 CB VAL A 11 -3.149 0.392 -6.491 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.812 1.056 -6.816 1.00 0.00 C ATOM 190 CG2 VAL A 11 -3.933 1.277 -5.521 1.00 0.00 C ATOM 0 H VAL A 11 -2.645 -1.445 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.004 0.031 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.968 -0.581 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.238 1.186 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.252 0.427 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.991 2.029 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.359 1.410 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.113 2.249 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.887 0.804 -5.287 1.00 0.00 H new ATOM 200 N VAL A 12 -2.785 1.615 -9.377 1.00 0.00 N ATOM 201 CA VAL A 12 -2.633 2.827 -10.230 1.00 0.00 C ATOM 202 C VAL A 12 -3.742 2.864 -11.281 1.00 0.00 C ATOM 203 O VAL A 12 -4.326 3.896 -11.541 1.00 0.00 O ATOM 204 CB VAL A 12 -1.277 2.795 -10.931 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.234 3.882 -12.008 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.169 3.053 -9.906 1.00 0.00 C ATOM 0 H VAL A 12 -2.016 0.947 -9.429 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.699 3.715 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.129 1.819 -11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.266 3.860 -12.509 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.024 3.703 -12.737 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.381 4.858 -11.546 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.800 3.031 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.318 4.030 -9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.199 2.282 -9.136 1.00 0.00 H new ATOM 216 N GLU A 13 -4.036 1.750 -11.895 1.00 0.00 N ATOM 217 CA GLU A 13 -5.102 1.738 -12.931 1.00 0.00 C ATOM 218 C GLU A 13 -6.454 2.086 -12.304 1.00 0.00 C ATOM 219 O GLU A 13 -7.259 2.782 -12.891 1.00 0.00 O ATOM 220 CB GLU A 13 -5.174 0.353 -13.566 1.00 0.00 C ATOM 221 CG GLU A 13 -3.920 0.111 -14.404 1.00 0.00 C ATOM 222 CD GLU A 13 -4.010 -1.261 -15.074 1.00 0.00 C ATOM 223 OE1 GLU A 13 -4.918 -2.005 -14.739 1.00 0.00 O ATOM 224 OE2 GLU A 13 -3.170 -1.545 -15.912 1.00 0.00 O ATOM 0 H GLU A 13 -3.584 0.852 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.866 2.481 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.260 -0.410 -12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.063 0.274 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.819 0.890 -15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.033 0.162 -13.773 1.00 0.00 H new ATOM 231 N GLU A 14 -6.717 1.608 -11.119 1.00 0.00 N ATOM 232 CA GLU A 14 -8.024 1.913 -10.468 1.00 0.00 C ATOM 233 C GLU A 14 -8.083 3.388 -10.066 1.00 0.00 C ATOM 234 O GLU A 14 -9.092 4.045 -10.229 1.00 0.00 O ATOM 235 CB GLU A 14 -8.185 1.042 -9.220 1.00 0.00 C ATOM 236 CG GLU A 14 -9.574 1.264 -8.612 1.00 0.00 C ATOM 237 CD GLU A 14 -9.702 0.453 -7.322 1.00 0.00 C ATOM 238 OE1 GLU A 14 -8.737 -0.196 -6.955 1.00 0.00 O ATOM 239 OE2 GLU A 14 -10.764 0.494 -6.723 1.00 0.00 O ATOM 0 H GLU A 14 -6.086 1.021 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.829 1.704 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.054 -0.009 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.414 1.289 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.727 2.323 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.345 0.963 -9.321 1.00 0.00 H new ATOM 246 N PHE A 15 -7.016 3.912 -9.531 1.00 0.00 N ATOM 247 CA PHE A 15 -7.022 5.340 -9.105 1.00 0.00 C ATOM 248 C PHE A 15 -6.685 6.260 -10.282 1.00 0.00 C ATOM 249 O PHE A 15 -7.400 7.200 -10.565 1.00 0.00 O ATOM 250 CB PHE A 15 -5.995 5.540 -7.988 1.00 0.00 C ATOM 251 CG PHE A 15 -6.071 6.962 -7.487 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.083 7.337 -6.596 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.128 7.905 -7.913 1.00 0.00 C ATOM 254 CE1 PHE A 15 -7.154 8.656 -6.133 1.00 0.00 C ATOM 255 CE2 PHE A 15 -5.199 9.224 -7.449 1.00 0.00 C ATOM 256 CZ PHE A 15 -6.212 9.600 -6.560 1.00 0.00 C ATOM 0 H PHE A 15 -6.140 3.414 -9.370 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.019 5.593 -8.744 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.189 4.844 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.992 5.326 -8.358 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.809 6.609 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.346 7.615 -8.599 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.936 8.946 -5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.472 9.952 -7.777 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.267 10.618 -6.203 1.00 0.00 H new ATOM 266 N LEU A 16 -5.592 6.010 -10.955 1.00 0.00 N ATOM 267 CA LEU A 16 -5.201 6.885 -12.097 1.00 0.00 C ATOM 268 C LEU A 16 -5.060 6.057 -13.380 1.00 0.00 C ATOM 269 O LEU A 16 -3.964 5.716 -13.778 1.00 0.00 O ATOM 270 CB LEU A 16 -3.857 7.535 -11.774 1.00 0.00 C ATOM 271 CG LEU A 16 -4.097 8.905 -11.143 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.828 9.366 -10.424 1.00 0.00 C ATOM 273 CD2 LEU A 16 -4.459 9.913 -12.234 1.00 0.00 C ATOM 0 H LEU A 16 -4.954 5.238 -10.762 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.969 7.644 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.289 6.902 -11.092 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.263 7.639 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.915 8.836 -10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.000 10.344 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.570 8.648 -9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.009 9.435 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.630 10.891 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.641 9.982 -12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.364 9.586 -12.746 1.00 0.00 H new ATOM 285 N PRO A 17 -6.153 5.741 -14.032 1.00 0.00 N ATOM 286 CA PRO A 17 -6.119 4.950 -15.294 1.00 0.00 C ATOM 287 C PRO A 17 -5.492 5.731 -16.454 1.00 0.00 C ATOM 288 O PRO A 17 -5.148 5.172 -17.477 1.00 0.00 O ATOM 289 CB PRO A 17 -7.587 4.630 -15.588 1.00 0.00 C ATOM 290 CG PRO A 17 -8.392 5.617 -14.809 1.00 0.00 C ATOM 291 CD PRO A 17 -7.530 6.096 -13.642 1.00 0.00 C ATOM 0 HA PRO A 17 -5.504 4.057 -15.185 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.797 4.711 -16.654 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.830 3.609 -15.292 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.684 6.457 -15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.311 5.159 -14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.634 7.170 -13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.817 5.609 -12.710 1.00 0.00 H new ATOM 299 N ASP A 18 -5.346 7.019 -16.306 1.00 0.00 N ATOM 300 CA ASP A 18 -4.748 7.831 -17.404 1.00 0.00 C ATOM 301 C ASP A 18 -3.243 8.002 -17.174 1.00 0.00 C ATOM 302 O ASP A 18 -2.581 8.728 -17.890 1.00 0.00 O ATOM 303 CB ASP A 18 -5.414 9.205 -17.443 1.00 0.00 C ATOM 304 CG ASP A 18 -4.909 9.986 -18.656 1.00 0.00 C ATOM 305 OD1 ASP A 18 -4.174 9.410 -19.443 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.264 11.146 -18.779 1.00 0.00 O ATOM 0 H ASP A 18 -5.614 7.544 -15.474 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.908 7.317 -18.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.497 9.094 -17.495 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.193 9.753 -16.527 1.00 0.00 H new ATOM 311 N VAL A 19 -2.698 7.346 -16.183 1.00 0.00 N ATOM 312 CA VAL A 19 -1.234 7.478 -15.912 1.00 0.00 C ATOM 313 C VAL A 19 -0.559 6.114 -16.060 1.00 0.00 C ATOM 314 O VAL A 19 -1.051 5.111 -15.584 1.00 0.00 O ATOM 315 CB VAL A 19 -1.024 7.988 -14.485 1.00 0.00 C ATOM 316 CG1 VAL A 19 0.461 8.280 -14.262 1.00 0.00 C ATOM 317 CG2 VAL A 19 -1.832 9.269 -14.276 1.00 0.00 C ATOM 0 H VAL A 19 -3.202 6.725 -15.550 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.799 8.181 -16.623 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.357 7.230 -13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.612 8.643 -13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.038 7.367 -14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.793 9.038 -14.971 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.682 9.632 -13.259 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.501 10.028 -14.985 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.890 9.062 -14.435 1.00 0.00 H new ATOM 327 N ALA A 20 0.572 6.070 -16.711 1.00 0.00 N ATOM 328 CA ALA A 20 1.279 4.771 -16.882 1.00 0.00 C ATOM 329 C ALA A 20 1.987 4.410 -15.563 1.00 0.00 C ATOM 330 O ALA A 20 2.871 5.122 -15.130 1.00 0.00 O ATOM 331 CB ALA A 20 2.325 4.912 -17.989 1.00 0.00 C ATOM 0 H ALA A 20 1.035 6.876 -17.131 1.00 0.00 H new ATOM 0 HA ALA A 20 0.565 3.991 -17.146 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.847 3.964 -18.119 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.833 5.187 -18.922 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.042 5.686 -17.716 1.00 0.00 H new ATOM 337 N PRO A 21 1.622 3.319 -14.922 1.00 0.00 N ATOM 338 CA PRO A 21 2.269 2.905 -13.643 1.00 0.00 C ATOM 339 C PRO A 21 3.796 2.862 -13.754 1.00 0.00 C ATOM 340 O PRO A 21 4.503 3.013 -12.778 1.00 0.00 O ATOM 341 CB PRO A 21 1.726 1.497 -13.385 1.00 0.00 C ATOM 342 CG PRO A 21 0.457 1.397 -14.162 1.00 0.00 C ATOM 343 CD PRO A 21 0.563 2.378 -15.329 1.00 0.00 C ATOM 0 HA PRO A 21 2.049 3.611 -12.842 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.440 0.739 -13.705 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.546 1.337 -12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.308 0.381 -14.526 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.399 1.639 -13.533 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.821 1.866 -16.256 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.382 2.894 -15.502 1.00 0.00 H new ATOM 351 N ALA A 22 4.306 2.655 -14.935 1.00 0.00 N ATOM 352 CA ALA A 22 5.785 2.600 -15.110 1.00 0.00 C ATOM 353 C ALA A 22 6.395 3.967 -14.793 1.00 0.00 C ATOM 354 O ALA A 22 7.552 4.072 -14.437 1.00 0.00 O ATOM 355 CB ALA A 22 6.112 2.218 -16.555 1.00 0.00 C ATOM 0 H ALA A 22 3.763 2.521 -15.788 1.00 0.00 H new ATOM 0 HA ALA A 22 6.201 1.855 -14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.193 2.177 -16.685 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.683 1.242 -16.779 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.693 2.963 -17.232 1.00 0.00 H new ATOM 361 N ASP A 23 5.632 5.018 -14.925 1.00 0.00 N ATOM 362 CA ASP A 23 6.182 6.373 -14.638 1.00 0.00 C ATOM 363 C ASP A 23 6.047 6.688 -13.145 1.00 0.00 C ATOM 364 O ASP A 23 6.315 7.791 -12.712 1.00 0.00 O ATOM 365 CB ASP A 23 5.419 7.419 -15.458 1.00 0.00 C ATOM 366 CG ASP A 23 3.956 7.474 -15.007 1.00 0.00 C ATOM 367 OD1 ASP A 23 3.657 6.939 -13.952 1.00 0.00 O ATOM 368 OD2 ASP A 23 3.158 8.050 -15.727 1.00 0.00 O ATOM 0 H ASP A 23 4.655 4.997 -15.218 1.00 0.00 H new ATOM 0 HA ASP A 23 7.237 6.396 -14.911 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.883 8.398 -15.336 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.472 7.171 -16.518 1.00 0.00 H new ATOM 373 N VAL A 24 5.634 5.731 -12.357 1.00 0.00 N ATOM 374 CA VAL A 24 5.487 5.982 -10.892 1.00 0.00 C ATOM 375 C VAL A 24 6.558 5.205 -10.132 1.00 0.00 C ATOM 376 O VAL A 24 6.756 4.028 -10.354 1.00 0.00 O ATOM 377 CB VAL A 24 4.114 5.503 -10.425 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.865 5.989 -8.995 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.032 6.059 -11.351 1.00 0.00 C ATOM 0 H VAL A 24 5.392 4.788 -12.663 1.00 0.00 H new ATOM 0 HA VAL A 24 5.593 7.050 -10.701 1.00 0.00 H new ATOM 0 HB VAL A 24 4.083 4.414 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.885 5.648 -8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.634 5.587 -8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.898 7.078 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.054 5.715 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.060 7.148 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.209 5.710 -12.368 1.00 0.00 H new ATOM 389 N ASP A 25 7.242 5.844 -9.227 1.00 0.00 N ATOM 390 CA ASP A 25 8.283 5.121 -8.451 1.00 0.00 C ATOM 391 C ASP A 25 7.640 4.510 -7.205 1.00 0.00 C ATOM 392 O ASP A 25 7.107 5.208 -6.367 1.00 0.00 O ATOM 393 CB ASP A 25 9.378 6.103 -8.030 1.00 0.00 C ATOM 394 CG ASP A 25 10.524 5.338 -7.366 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.442 4.122 -7.308 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.463 5.980 -6.928 1.00 0.00 O ATOM 0 H ASP A 25 7.126 6.830 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 25 8.721 4.333 -9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.746 6.648 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.972 6.842 -7.339 1.00 0.00 H new ATOM 401 N VAL A 26 7.687 3.214 -7.073 1.00 0.00 N ATOM 402 CA VAL A 26 7.079 2.570 -5.878 1.00 0.00 C ATOM 403 C VAL A 26 7.825 3.027 -4.622 1.00 0.00 C ATOM 404 O VAL A 26 7.553 2.577 -3.526 1.00 0.00 O ATOM 405 CB VAL A 26 7.185 1.050 -6.016 1.00 0.00 C ATOM 406 CG1 VAL A 26 8.474 0.557 -5.354 1.00 0.00 C ATOM 407 CG2 VAL A 26 5.982 0.396 -5.340 1.00 0.00 C ATOM 0 H VAL A 26 8.119 2.575 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 26 6.030 2.855 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 26 7.201 0.784 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.544 -0.526 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.333 1.023 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.465 0.823 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.055 -0.687 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.967 0.666 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.065 0.742 -5.816 1.00 0.00 H new ATOM 417 N ASP A 27 8.763 3.925 -4.773 1.00 0.00 N ATOM 418 CA ASP A 27 9.525 4.419 -3.598 1.00 0.00 C ATOM 419 C ASP A 27 9.043 5.826 -3.237 1.00 0.00 C ATOM 420 O ASP A 27 9.604 6.485 -2.384 1.00 0.00 O ATOM 421 CB ASP A 27 11.010 4.461 -3.949 1.00 0.00 C ATOM 422 CG ASP A 27 11.537 3.036 -4.123 1.00 0.00 C ATOM 423 OD1 ASP A 27 10.822 2.114 -3.764 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.645 2.890 -4.611 1.00 0.00 O ATOM 0 H ASP A 27 9.032 4.337 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 27 9.368 3.754 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.161 5.030 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.566 4.971 -3.162 1.00 0.00 H new ATOM 429 N LEU A 28 8.010 6.290 -3.883 1.00 0.00 N ATOM 430 CA LEU A 28 7.492 7.654 -3.583 1.00 0.00 C ATOM 431 C LEU A 28 6.325 7.545 -2.603 1.00 0.00 C ATOM 432 O LEU A 28 5.469 6.693 -2.732 1.00 0.00 O ATOM 433 CB LEU A 28 7.023 8.316 -4.877 1.00 0.00 C ATOM 434 CG LEU A 28 6.609 9.762 -4.593 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.827 10.561 -4.125 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.054 10.389 -5.873 1.00 0.00 C ATOM 0 H LEU A 28 7.501 5.783 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 28 8.282 8.259 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.822 8.295 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.183 7.762 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 28 5.845 9.776 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.531 11.590 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.228 10.114 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.591 10.549 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.758 11.419 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.821 10.374 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.187 9.821 -6.210 1.00 0.00 H new ATOM 448 N ASP A 29 6.291 8.394 -1.612 1.00 0.00 N ATOM 449 CA ASP A 29 5.189 8.324 -0.616 1.00 0.00 C ATOM 450 C ASP A 29 3.849 8.640 -1.294 1.00 0.00 C ATOM 451 O ASP A 29 3.761 9.479 -2.169 1.00 0.00 O ATOM 452 CB ASP A 29 5.452 9.332 0.504 1.00 0.00 C ATOM 453 CG ASP A 29 6.740 8.953 1.238 1.00 0.00 C ATOM 454 OD1 ASP A 29 7.187 7.831 1.068 1.00 0.00 O ATOM 455 OD2 ASP A 29 7.257 9.791 1.958 1.00 0.00 O ATOM 0 H ASP A 29 6.978 9.131 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 29 5.145 7.318 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.538 10.337 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.614 9.345 1.201 1.00 0.00 H new ATOM 460 N LEU A 30 2.808 7.959 -0.895 1.00 0.00 N ATOM 461 CA LEU A 30 1.463 8.185 -1.498 1.00 0.00 C ATOM 462 C LEU A 30 0.897 9.543 -1.081 1.00 0.00 C ATOM 463 O LEU A 30 0.204 10.194 -1.837 1.00 0.00 O ATOM 464 CB LEU A 30 0.521 7.075 -1.025 1.00 0.00 C ATOM 465 CG LEU A 30 0.887 5.765 -1.723 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.055 4.624 -1.135 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.595 5.884 -3.223 1.00 0.00 C ATOM 0 H LEU A 30 2.834 7.246 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 30 1.555 8.172 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.595 6.957 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.512 7.341 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 30 1.947 5.560 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.316 3.690 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.260 4.537 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.005 4.832 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.856 4.950 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.465 6.090 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.186 6.697 -3.645 1.00 0.00 H new ATOM 479 N VAL A 31 1.166 9.968 0.119 1.00 0.00 N ATOM 480 CA VAL A 31 0.621 11.272 0.584 1.00 0.00 C ATOM 481 C VAL A 31 1.073 12.396 -0.350 1.00 0.00 C ATOM 482 O VAL A 31 0.282 13.214 -0.776 1.00 0.00 O ATOM 483 CB VAL A 31 1.133 11.544 1.993 1.00 0.00 C ATOM 484 CG1 VAL A 31 0.633 10.449 2.933 1.00 0.00 C ATOM 485 CG2 VAL A 31 2.662 11.551 1.983 1.00 0.00 C ATOM 0 H VAL A 31 1.740 9.469 0.799 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.468 11.232 0.582 1.00 0.00 H new ATOM 0 HB VAL A 31 0.767 12.512 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.998 10.641 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.457 10.442 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.001 9.481 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.032 11.745 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.028 10.582 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.018 12.330 1.309 1.00 0.00 H new ATOM 495 N ASP A 32 2.331 12.438 -0.682 1.00 0.00 N ATOM 496 CA ASP A 32 2.819 13.504 -1.599 1.00 0.00 C ATOM 497 C ASP A 32 2.093 13.362 -2.934 1.00 0.00 C ATOM 498 O ASP A 32 1.804 14.330 -3.609 1.00 0.00 O ATOM 499 CB ASP A 32 4.326 13.348 -1.812 1.00 0.00 C ATOM 500 CG ASP A 32 5.060 13.634 -0.501 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.429 14.153 0.407 1.00 0.00 O ATOM 502 OD2 ASP A 32 6.239 13.331 -0.426 1.00 0.00 O ATOM 0 H ASP A 32 3.042 11.782 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 32 2.623 14.487 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.553 12.339 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.667 14.033 -2.589 1.00 0.00 H new ATOM 507 N ASN A 33 1.803 12.152 -3.313 1.00 0.00 N ATOM 508 CA ASN A 33 1.099 11.909 -4.599 1.00 0.00 C ATOM 509 C ASN A 33 -0.356 12.375 -4.499 1.00 0.00 C ATOM 510 O ASN A 33 -0.935 12.843 -5.459 1.00 0.00 O ATOM 511 CB ASN A 33 1.130 10.415 -4.901 1.00 0.00 C ATOM 512 CG ASN A 33 2.566 9.982 -5.196 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.415 10.806 -5.472 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.877 8.716 -5.147 1.00 0.00 N ATOM 0 H ASN A 33 2.026 11.311 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 33 1.595 12.465 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.737 9.854 -4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.490 10.193 -5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.833 8.418 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.164 8.024 -4.915 1.00 0.00 H new ATOM 521 N GLY A 34 -0.953 12.241 -3.348 1.00 0.00 N ATOM 522 CA GLY A 34 -2.373 12.667 -3.193 1.00 0.00 C ATOM 523 C GLY A 34 -3.282 11.513 -3.604 1.00 0.00 C ATOM 524 O GLY A 34 -4.488 11.647 -3.663 1.00 0.00 O ATOM 0 H GLY A 34 -0.520 11.856 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.570 12.953 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.573 13.543 -3.810 1.00 0.00 H new ATOM 528 N VAL A 35 -2.710 10.374 -3.876 1.00 0.00 N ATOM 529 CA VAL A 35 -3.538 9.206 -4.270 1.00 0.00 C ATOM 530 C VAL A 35 -4.517 8.910 -3.139 1.00 0.00 C ATOM 531 O VAL A 35 -5.623 8.458 -3.358 1.00 0.00 O ATOM 532 CB VAL A 35 -2.639 7.990 -4.498 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.504 6.752 -4.740 1.00 0.00 C ATOM 534 CG2 VAL A 35 -1.749 8.237 -5.719 1.00 0.00 C ATOM 0 H VAL A 35 -1.705 10.203 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.079 9.424 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.015 7.830 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.862 5.886 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.138 6.576 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.129 6.911 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.108 7.371 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.373 8.398 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.131 9.119 -5.547 1.00 0.00 H new ATOM 544 N ILE A 36 -4.113 9.166 -1.926 1.00 0.00 N ATOM 545 CA ILE A 36 -5.012 8.906 -0.773 1.00 0.00 C ATOM 546 C ILE A 36 -5.921 10.113 -0.545 1.00 0.00 C ATOM 547 O ILE A 36 -5.475 11.240 -0.459 1.00 0.00 O ATOM 548 CB ILE A 36 -4.178 8.658 0.482 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.277 7.446 0.263 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.102 8.380 1.661 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.361 7.269 1.474 1.00 0.00 C ATOM 0 H ILE A 36 -3.197 9.545 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.621 8.028 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.570 9.539 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.882 6.551 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.682 7.580 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.506 8.203 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.754 9.238 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.708 7.499 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.717 6.404 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.747 8.161 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.965 7.116 2.368 1.00 0.00 H new ATOM 563 N ASP A 37 -7.192 9.870 -0.442 1.00 0.00 N ATOM 564 CA ASP A 37 -8.164 10.974 -0.214 1.00 0.00 C ATOM 565 C ASP A 37 -9.333 10.425 0.602 1.00 0.00 C ATOM 566 O ASP A 37 -9.286 9.313 1.091 1.00 0.00 O ATOM 567 CB ASP A 37 -8.675 11.495 -1.559 1.00 0.00 C ATOM 568 CG ASP A 37 -9.466 12.786 -1.339 1.00 0.00 C ATOM 569 OD1 ASP A 37 -9.459 13.279 -0.223 1.00 0.00 O ATOM 570 OD2 ASP A 37 -10.064 13.260 -2.291 1.00 0.00 O ATOM 0 H ASP A 37 -7.608 8.941 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.684 11.793 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.837 11.679 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.307 10.745 -2.035 1.00 0.00 H new ATOM 575 N ALA A 38 -10.382 11.180 0.758 1.00 0.00 N ATOM 576 CA ALA A 38 -11.538 10.669 1.544 1.00 0.00 C ATOM 577 C ALA A 38 -12.080 9.424 0.850 1.00 0.00 C ATOM 578 O ALA A 38 -12.168 8.358 1.431 1.00 0.00 O ATOM 579 CB ALA A 38 -12.630 11.739 1.608 1.00 0.00 C ATOM 0 H ALA A 38 -10.490 12.121 0.379 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.223 10.425 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.475 11.362 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.234 12.634 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.959 11.984 0.598 1.00 0.00 H new ATOM 585 N LEU A 39 -12.406 9.542 -0.405 1.00 0.00 N ATOM 586 CA LEU A 39 -12.901 8.364 -1.160 1.00 0.00 C ATOM 587 C LEU A 39 -11.717 7.433 -1.382 1.00 0.00 C ATOM 588 O LEU A 39 -11.847 6.225 -1.406 1.00 0.00 O ATOM 589 CB LEU A 39 -13.469 8.812 -2.505 1.00 0.00 C ATOM 590 CG LEU A 39 -14.762 9.594 -2.282 1.00 0.00 C ATOM 591 CD1 LEU A 39 -14.450 10.936 -1.614 1.00 0.00 C ATOM 592 CD2 LEU A 39 -15.444 9.842 -3.629 1.00 0.00 C ATOM 0 H LEU A 39 -12.350 10.408 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.691 7.856 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.743 9.433 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.661 7.945 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.424 9.017 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.376 11.489 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.966 10.760 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.785 11.516 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.367 10.400 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.778 10.416 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.673 8.887 -4.102 1.00 0.00 H new ATOM 604 N GLY A 40 -10.554 8.005 -1.541 1.00 0.00 N ATOM 605 CA GLY A 40 -9.337 7.184 -1.760 1.00 0.00 C ATOM 606 C GLY A 40 -9.134 6.256 -0.565 1.00 0.00 C ATOM 607 O GLY A 40 -8.891 5.075 -0.715 1.00 0.00 O ATOM 0 H GLY A 40 -10.398 9.013 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.437 6.601 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.467 7.829 -1.887 1.00 0.00 H new ATOM 611 N LEU A 41 -9.243 6.781 0.621 1.00 0.00 N ATOM 612 CA LEU A 41 -9.068 5.937 1.831 1.00 0.00 C ATOM 613 C LEU A 41 -10.166 4.877 1.881 1.00 0.00 C ATOM 614 O LEU A 41 -9.920 3.724 2.179 1.00 0.00 O ATOM 615 CB LEU A 41 -9.158 6.820 3.075 1.00 0.00 C ATOM 616 CG LEU A 41 -9.249 5.937 4.320 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.421 6.558 5.446 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.712 5.828 4.763 1.00 0.00 C ATOM 0 H LEU A 41 -9.447 7.763 0.805 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.095 5.446 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.284 7.468 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.032 7.469 3.011 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.864 4.944 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.485 5.929 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.380 6.637 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.807 7.551 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.777 5.199 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.097 6.821 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.303 5.386 3.961 1.00 0.00 H new ATOM 630 N LEU A 42 -11.377 5.258 1.595 1.00 0.00 N ATOM 631 CA LEU A 42 -12.492 4.272 1.634 1.00 0.00 C ATOM 632 C LEU A 42 -12.215 3.142 0.647 1.00 0.00 C ATOM 633 O LEU A 42 -12.377 1.979 0.959 1.00 0.00 O ATOM 634 CB LEU A 42 -13.800 4.977 1.260 1.00 0.00 C ATOM 635 CG LEU A 42 -14.899 3.942 0.997 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.024 2.994 2.189 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.232 4.662 0.782 1.00 0.00 C ATOM 0 H LEU A 42 -11.644 6.208 1.336 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.576 3.854 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.105 5.646 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.650 5.593 0.373 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.641 3.366 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.808 2.263 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.077 2.478 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.277 3.565 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.016 3.928 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.481 5.240 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -16.150 5.332 -0.074 1.00 0.00 H new ATOM 649 N LYS A 43 -11.797 3.465 -0.538 1.00 0.00 N ATOM 650 CA LYS A 43 -11.517 2.396 -1.527 1.00 0.00 C ATOM 651 C LYS A 43 -10.372 1.515 -1.024 1.00 0.00 C ATOM 652 O LYS A 43 -10.336 0.326 -1.268 1.00 0.00 O ATOM 653 CB LYS A 43 -11.128 3.021 -2.864 1.00 0.00 C ATOM 654 CG LYS A 43 -12.329 3.752 -3.465 1.00 0.00 C ATOM 655 CD LYS A 43 -11.966 4.265 -4.862 1.00 0.00 C ATOM 656 CE LYS A 43 -13.128 5.087 -5.422 1.00 0.00 C ATOM 657 NZ LYS A 43 -14.395 4.679 -4.750 1.00 0.00 N ATOM 0 H LYS A 43 -11.637 4.418 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.411 1.787 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.301 3.717 -2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.781 2.248 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.185 3.080 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.620 4.584 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.065 4.876 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.748 3.427 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.945 6.150 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.209 4.935 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.198 5.163 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.518 3.650 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.354 4.939 -3.744 1.00 0.00 H new ATOM 671 N VAL A 44 -9.426 2.096 -0.337 1.00 0.00 N ATOM 672 CA VAL A 44 -8.272 1.298 0.164 1.00 0.00 C ATOM 673 C VAL A 44 -8.748 0.207 1.125 1.00 0.00 C ATOM 674 O VAL A 44 -8.399 -0.946 0.987 1.00 0.00 O ATOM 675 CB VAL A 44 -7.303 2.228 0.895 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.249 1.396 1.626 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.613 3.142 -0.121 1.00 0.00 C ATOM 0 H VAL A 44 -9.403 3.088 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.775 0.824 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.854 2.832 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.559 2.060 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.738 0.742 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.698 0.792 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.922 3.806 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.063 2.536 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.363 3.736 -0.644 1.00 0.00 H new ATOM 687 N ILE A 45 -9.532 0.561 2.101 1.00 0.00 N ATOM 688 CA ILE A 45 -10.018 -0.453 3.076 1.00 0.00 C ATOM 689 C ILE A 45 -10.991 -1.440 2.417 1.00 0.00 C ATOM 690 O ILE A 45 -10.982 -2.616 2.714 1.00 0.00 O ATOM 691 CB ILE A 45 -10.726 0.263 4.226 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.703 1.003 5.099 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.468 -0.763 5.075 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.402 2.378 4.497 1.00 0.00 C ATOM 0 H ILE A 45 -9.859 1.513 2.267 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.161 -1.016 3.445 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.431 0.986 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.090 1.117 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.785 0.420 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.975 -0.257 5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.203 -1.281 4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.757 -1.485 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.675 2.898 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.995 2.255 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.321 2.962 4.447 1.00 0.00 H new ATOM 706 N ALA A 46 -11.858 -0.967 1.562 1.00 0.00 N ATOM 707 CA ALA A 46 -12.863 -1.878 0.930 1.00 0.00 C ATOM 708 C ALA A 46 -12.211 -2.890 -0.022 1.00 0.00 C ATOM 709 O ALA A 46 -12.483 -4.074 0.041 1.00 0.00 O ATOM 710 CB ALA A 46 -13.862 -1.033 0.141 1.00 0.00 C ATOM 0 H ALA A 46 -11.916 0.009 1.273 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.356 -2.437 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.601 -1.684 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.364 -0.339 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.335 -0.472 -0.630 1.00 0.00 H new ATOM 716 N TRP A 47 -11.374 -2.447 -0.917 1.00 0.00 N ATOM 717 CA TRP A 47 -10.749 -3.408 -1.873 1.00 0.00 C ATOM 718 C TRP A 47 -9.604 -4.159 -1.199 1.00 0.00 C ATOM 719 O TRP A 47 -9.449 -5.352 -1.368 1.00 0.00 O ATOM 720 CB TRP A 47 -10.217 -2.649 -3.092 1.00 0.00 C ATOM 721 CG TRP A 47 -8.756 -2.923 -3.261 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.217 -4.111 -3.618 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.642 -2.005 -3.094 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.839 -3.981 -3.663 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.437 -2.699 -3.350 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.567 -0.653 -2.742 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.196 -2.064 -3.258 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.323 -0.007 -2.650 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.139 -0.713 -2.908 1.00 0.00 C ATOM 0 H TRP A 47 -11.096 -1.472 -1.030 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.504 -4.127 -2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.759 -2.954 -3.987 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.384 -1.579 -2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.771 -5.013 -3.833 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.200 -4.740 -3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.473 -0.101 -2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.288 -2.614 -3.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.278 1.038 -2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.185 -0.213 -2.836 1.00 0.00 H new ATOM 740 N LEU A 48 -8.786 -3.472 -0.458 1.00 0.00 N ATOM 741 CA LEU A 48 -7.638 -4.152 0.198 1.00 0.00 C ATOM 742 C LEU A 48 -8.138 -5.252 1.138 1.00 0.00 C ATOM 743 O LEU A 48 -7.581 -6.329 1.197 1.00 0.00 O ATOM 744 CB LEU A 48 -6.840 -3.126 1.003 1.00 0.00 C ATOM 745 CG LEU A 48 -5.537 -3.751 1.492 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.535 -3.842 0.336 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.951 -2.883 2.607 1.00 0.00 C ATOM 0 H LEU A 48 -8.861 -2.471 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.006 -4.601 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.626 -2.253 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.429 -2.779 1.852 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.737 -4.754 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.607 -4.289 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.953 -4.459 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.332 -2.843 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.019 -3.325 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.755 -1.882 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.660 -2.823 3.432 1.00 0.00 H new ATOM 759 N GLU A 49 -9.179 -4.990 1.879 1.00 0.00 N ATOM 760 CA GLU A 49 -9.702 -6.018 2.814 1.00 0.00 C ATOM 761 C GLU A 49 -10.410 -7.125 2.027 1.00 0.00 C ATOM 762 O GLU A 49 -10.348 -8.287 2.373 1.00 0.00 O ATOM 763 CB GLU A 49 -10.676 -5.345 3.782 1.00 0.00 C ATOM 764 CG GLU A 49 -12.018 -5.132 3.098 1.00 0.00 C ATOM 765 CD GLU A 49 -12.920 -4.278 3.992 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.515 -3.990 5.106 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.001 -3.927 3.548 1.00 0.00 O ATOM 0 H GLU A 49 -9.689 -4.107 1.875 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.882 -6.468 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.805 -5.963 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.271 -4.389 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.873 -4.641 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.492 -6.093 2.898 1.00 0.00 H new ATOM 774 N ASP A 50 -11.098 -6.764 0.978 1.00 0.00 N ATOM 775 CA ASP A 50 -11.829 -7.780 0.169 1.00 0.00 C ATOM 776 C ASP A 50 -10.865 -8.826 -0.402 1.00 0.00 C ATOM 777 O ASP A 50 -11.178 -9.997 -0.474 1.00 0.00 O ATOM 778 CB ASP A 50 -12.539 -7.077 -0.984 1.00 0.00 C ATOM 779 CG ASP A 50 -13.462 -8.064 -1.699 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.587 -9.181 -1.222 1.00 0.00 O ATOM 781 OD2 ASP A 50 -14.030 -7.688 -2.712 1.00 0.00 O ATOM 0 H ASP A 50 -11.185 -5.804 0.645 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.548 -8.286 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.116 -6.232 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.807 -6.676 -1.685 1.00 0.00 H new ATOM 786 N ARG A 51 -9.708 -8.411 -0.833 1.00 0.00 N ATOM 787 CA ARG A 51 -8.739 -9.375 -1.427 1.00 0.00 C ATOM 788 C ARG A 51 -8.328 -10.453 -0.421 1.00 0.00 C ATOM 789 O ARG A 51 -8.137 -11.597 -0.782 1.00 0.00 O ATOM 790 CB ARG A 51 -7.501 -8.616 -1.892 1.00 0.00 C ATOM 791 CG ARG A 51 -7.876 -7.713 -3.065 1.00 0.00 C ATOM 792 CD ARG A 51 -6.630 -6.989 -3.576 1.00 0.00 C ATOM 793 NE ARG A 51 -5.696 -7.976 -4.188 1.00 0.00 N ATOM 794 CZ ARG A 51 -4.553 -7.577 -4.676 1.00 0.00 C ATOM 795 NH1 ARG A 51 -4.228 -6.314 -4.624 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.736 -8.441 -5.214 1.00 0.00 N ATOM 0 H ARG A 51 -9.390 -7.443 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.222 -9.869 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.097 -8.020 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.722 -9.317 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.318 -8.306 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.627 -6.988 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.911 -6.234 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.138 -6.467 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.950 -8.963 -4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.867 -5.640 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.335 -6.001 -5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.991 -9.428 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.843 -8.129 -5.595 1.00 0.00 H new ATOM 810 N PHE A 52 -8.168 -10.111 0.829 1.00 0.00 N ATOM 811 CA PHE A 52 -7.747 -11.139 1.820 1.00 0.00 C ATOM 812 C PHE A 52 -8.959 -11.670 2.587 1.00 0.00 C ATOM 813 O PHE A 52 -8.859 -12.623 3.334 1.00 0.00 O ATOM 814 CB PHE A 52 -6.739 -10.508 2.779 1.00 0.00 C ATOM 815 CG PHE A 52 -5.455 -10.252 2.030 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.373 -9.181 1.134 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.352 -11.092 2.222 1.00 0.00 C ATOM 818 CE1 PHE A 52 -4.186 -8.947 0.430 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.163 -10.857 1.519 1.00 0.00 C ATOM 820 CZ PHE A 52 -3.082 -9.785 0.623 1.00 0.00 C ATOM 0 H PHE A 52 -8.309 -9.173 1.203 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.285 -11.981 1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.134 -9.575 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.557 -11.170 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.225 -8.535 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.417 -11.921 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.122 -8.120 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.310 -11.502 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.166 -9.604 0.080 1.00 0.00 H new ATOM 830 N GLY A 53 -10.103 -11.072 2.409 1.00 0.00 N ATOM 831 CA GLY A 53 -11.310 -11.560 3.129 1.00 0.00 C ATOM 832 C GLY A 53 -11.159 -11.241 4.609 1.00 0.00 C ATOM 833 O GLY A 53 -11.630 -11.965 5.464 1.00 0.00 O ATOM 0 H GLY A 53 -10.254 -10.269 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.206 -11.085 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.428 -12.634 2.984 1.00 0.00 H new ATOM 837 N ILE A 54 -10.491 -10.164 4.917 1.00 0.00 N ATOM 838 CA ILE A 54 -10.290 -9.795 6.342 1.00 0.00 C ATOM 839 C ILE A 54 -11.140 -8.573 6.688 1.00 0.00 C ATOM 840 O ILE A 54 -11.465 -7.772 5.838 1.00 0.00 O ATOM 841 CB ILE A 54 -8.813 -9.478 6.563 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.408 -8.308 5.661 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.972 -10.710 6.219 1.00 0.00 C ATOM 844 CD1 ILE A 54 -6.929 -7.987 5.869 1.00 0.00 C ATOM 0 H ILE A 54 -10.076 -9.524 4.240 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.591 -10.623 6.984 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.646 -9.207 7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.592 -8.560 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.016 -7.433 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.917 -10.486 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.266 -11.541 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.134 -10.981 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.643 -7.154 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.759 -7.716 6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.328 -8.861 5.619 1.00 0.00 H new ATOM 856 N ALA A 55 -11.510 -8.426 7.931 1.00 0.00 N ATOM 857 CA ALA A 55 -12.343 -7.256 8.325 1.00 0.00 C ATOM 858 C ALA A 55 -11.453 -6.186 8.961 1.00 0.00 C ATOM 859 O ALA A 55 -10.673 -6.461 9.851 1.00 0.00 O ATOM 860 CB ALA A 55 -13.403 -7.701 9.334 1.00 0.00 C ATOM 0 H ALA A 55 -11.271 -9.065 8.689 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.831 -6.845 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.013 -6.845 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.038 -8.463 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.915 -8.113 10.217 1.00 0.00 H new ATOM 866 N ALA A 56 -11.565 -4.967 8.511 1.00 0.00 N ATOM 867 CA ALA A 56 -10.728 -3.878 9.090 1.00 0.00 C ATOM 868 C ALA A 56 -11.136 -3.636 10.545 1.00 0.00 C ATOM 869 O ALA A 56 -10.342 -3.216 11.360 1.00 0.00 O ATOM 870 CB ALA A 56 -10.933 -2.594 8.283 1.00 0.00 C ATOM 0 H ALA A 56 -12.200 -4.677 7.767 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.678 -4.169 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.321 -1.797 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.641 -2.765 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.983 -2.304 8.321 1.00 0.00 H new ATOM 876 N ASP A 57 -12.372 -3.893 10.873 1.00 0.00 N ATOM 877 CA ASP A 57 -12.835 -3.671 12.272 1.00 0.00 C ATOM 878 C ASP A 57 -11.946 -4.447 13.247 1.00 0.00 C ATOM 879 O ASP A 57 -11.670 -3.996 14.341 1.00 0.00 O ATOM 880 CB ASP A 57 -14.278 -4.150 12.411 1.00 0.00 C ATOM 881 CG ASP A 57 -14.837 -3.708 13.764 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.144 -2.985 14.461 1.00 0.00 O ATOM 883 OD2 ASP A 57 -15.948 -4.098 14.080 1.00 0.00 O ATOM 0 H ASP A 57 -13.082 -4.247 10.232 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.776 -2.607 12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.887 -3.742 11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.321 -5.236 12.325 1.00 0.00 H new ATOM 888 N ASP A 58 -11.502 -5.612 12.865 1.00 0.00 N ATOM 889 CA ASP A 58 -10.640 -6.414 13.779 1.00 0.00 C ATOM 890 C ASP A 58 -9.406 -5.603 14.178 1.00 0.00 C ATOM 891 O ASP A 58 -8.977 -5.630 15.314 1.00 0.00 O ATOM 892 CB ASP A 58 -10.201 -7.694 13.070 1.00 0.00 C ATOM 893 CG ASP A 58 -11.414 -8.601 12.852 1.00 0.00 C ATOM 894 OD1 ASP A 58 -12.449 -8.321 13.432 1.00 0.00 O ATOM 895 OD2 ASP A 58 -11.285 -9.561 12.109 1.00 0.00 O ATOM 0 H ASP A 58 -11.698 -6.043 11.962 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.206 -6.667 14.675 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.739 -7.452 12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.449 -8.212 13.665 1.00 0.00 H new ATOM 900 N VAL A 59 -8.834 -4.882 13.252 1.00 0.00 N ATOM 901 CA VAL A 59 -7.626 -4.066 13.574 1.00 0.00 C ATOM 902 C VAL A 59 -7.835 -2.630 13.091 1.00 0.00 C ATOM 903 O VAL A 59 -8.290 -2.398 11.990 1.00 0.00 O ATOM 904 CB VAL A 59 -6.406 -4.664 12.876 1.00 0.00 C ATOM 905 CG1 VAL A 59 -5.151 -3.895 13.291 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.261 -6.134 13.277 1.00 0.00 C ATOM 0 H VAL A 59 -9.151 -4.822 12.284 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.466 -4.067 14.652 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.533 -4.592 11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.281 -4.322 12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.255 -2.848 13.006 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.021 -3.966 14.371 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.391 -6.563 12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.134 -6.206 14.357 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.155 -6.682 12.980 1.00 0.00 H new ATOM 916 N GLU A 60 -7.506 -1.662 13.902 1.00 0.00 N ATOM 917 CA GLU A 60 -7.690 -0.247 13.473 1.00 0.00 C ATOM 918 C GLU A 60 -6.539 0.159 12.550 1.00 0.00 C ATOM 919 O GLU A 60 -5.381 0.016 12.887 1.00 0.00 O ATOM 920 CB GLU A 60 -7.702 0.661 14.704 1.00 0.00 C ATOM 921 CG GLU A 60 -8.879 0.292 15.601 1.00 0.00 C ATOM 922 CD GLU A 60 -8.937 1.251 16.791 1.00 0.00 C ATOM 923 OE1 GLU A 60 -8.003 2.017 16.956 1.00 0.00 O ATOM 924 OE2 GLU A 60 -9.917 1.202 17.517 1.00 0.00 O ATOM 0 H GLU A 60 -7.120 -1.788 14.838 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.635 -0.148 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.766 0.558 15.254 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.778 1.704 14.398 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.810 0.341 15.036 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.774 -0.734 15.953 1.00 0.00 H new ATOM 931 N LEU A 61 -6.851 0.663 11.387 1.00 0.00 N ATOM 932 CA LEU A 61 -5.790 1.078 10.437 1.00 0.00 C ATOM 933 C LEU A 61 -5.737 2.604 10.360 1.00 0.00 C ATOM 934 O LEU A 61 -6.757 3.264 10.333 1.00 0.00 O ATOM 935 CB LEU A 61 -6.112 0.518 9.051 1.00 0.00 C ATOM 936 CG LEU A 61 -6.056 -1.009 9.081 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.444 -1.570 9.395 1.00 0.00 C ATOM 938 CD2 LEU A 61 -5.597 -1.525 7.714 1.00 0.00 C ATOM 0 H LEU A 61 -7.805 0.805 11.055 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.827 0.698 10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.102 0.848 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.401 0.902 8.320 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.354 -1.331 9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.400 -2.659 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.774 -1.202 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.148 -1.250 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.556 -2.614 7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.301 -1.201 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.607 -1.128 7.489 1.00 0.00 H new ATOM 950 N SER A 62 -4.560 3.170 10.308 1.00 0.00 N ATOM 951 CA SER A 62 -4.448 4.647 10.212 1.00 0.00 C ATOM 952 C SER A 62 -4.006 5.005 8.790 1.00 0.00 C ATOM 953 O SER A 62 -3.247 4.280 8.179 1.00 0.00 O ATOM 954 CB SER A 62 -3.408 5.148 11.215 1.00 0.00 C ATOM 955 OG SER A 62 -2.492 6.009 10.551 1.00 0.00 O ATOM 0 H SER A 62 -3.672 2.668 10.328 1.00 0.00 H new ATOM 0 HA SER A 62 -5.408 5.113 10.435 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.899 5.679 12.030 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.877 4.305 11.658 1.00 0.00 H new ATOM 0 HG SER A 62 -1.825 6.333 11.191 1.00 0.00 H new ATOM 961 N PRO A 63 -4.471 6.104 8.260 1.00 0.00 N ATOM 962 CA PRO A 63 -4.108 6.533 6.880 1.00 0.00 C ATOM 963 C PRO A 63 -2.600 6.761 6.727 1.00 0.00 C ATOM 964 O PRO A 63 -2.069 6.768 5.635 1.00 0.00 O ATOM 965 CB PRO A 63 -4.870 7.849 6.677 1.00 0.00 C ATOM 966 CG PRO A 63 -5.264 8.308 8.042 1.00 0.00 C ATOM 967 CD PRO A 63 -5.381 7.058 8.907 1.00 0.00 C ATOM 0 HA PRO A 63 -4.366 5.771 6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.244 8.591 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.747 7.700 6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.520 8.993 8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.211 8.847 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.088 7.255 9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.404 6.682 8.932 1.00 0.00 H new ATOM 975 N GLU A 64 -1.913 6.955 7.819 1.00 0.00 N ATOM 976 CA GLU A 64 -0.448 7.192 7.757 1.00 0.00 C ATOM 977 C GLU A 64 0.260 5.915 7.327 1.00 0.00 C ATOM 978 O GLU A 64 1.318 5.950 6.734 1.00 0.00 O ATOM 979 CB GLU A 64 0.048 7.605 9.138 1.00 0.00 C ATOM 980 CG GLU A 64 -0.694 8.855 9.592 1.00 0.00 C ATOM 981 CD GLU A 64 -0.119 9.339 10.924 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.678 8.616 11.500 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.484 10.424 11.346 1.00 0.00 O ATOM 0 H GLU A 64 -2.310 6.959 8.759 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.236 7.981 7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.112 6.796 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.121 7.797 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.602 9.638 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.757 8.640 9.700 1.00 0.00 H new ATOM 990 N HIS A 65 -0.308 4.784 7.625 1.00 0.00 N ATOM 991 CA HIS A 65 0.348 3.513 7.236 1.00 0.00 C ATOM 992 C HIS A 65 0.356 3.398 5.713 1.00 0.00 C ATOM 993 O HIS A 65 1.121 2.650 5.139 1.00 0.00 O ATOM 994 CB HIS A 65 -0.415 2.335 7.844 1.00 0.00 C ATOM 995 CG HIS A 65 -0.587 1.257 6.810 1.00 0.00 C ATOM 996 ND1 HIS A 65 -1.835 0.896 6.320 1.00 0.00 N ATOM 997 CD2 HIS A 65 0.317 0.455 6.157 1.00 0.00 C ATOM 998 CE1 HIS A 65 -1.649 -0.082 5.413 1.00 0.00 C ATOM 999 NE2 HIS A 65 -0.358 -0.385 5.280 1.00 0.00 N ATOM 0 H HIS A 65 -1.195 4.686 8.119 1.00 0.00 H new ATOM 0 HA HIS A 65 1.373 3.500 7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.127 1.944 8.705 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.389 2.666 8.204 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.730 1.299 6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.387 0.474 6.303 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.446 -0.560 4.863 1.00 0.00 H new ATOM 1008 N PHE A 66 -0.487 4.141 5.053 1.00 0.00 N ATOM 1009 CA PHE A 66 -0.526 4.079 3.567 1.00 0.00 C ATOM 1010 C PHE A 66 0.324 5.209 2.992 1.00 0.00 C ATOM 1011 O PHE A 66 0.289 5.494 1.810 1.00 0.00 O ATOM 1012 CB PHE A 66 -1.967 4.236 3.088 1.00 0.00 C ATOM 1013 CG PHE A 66 -2.851 3.251 3.810 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -3.195 3.478 5.146 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -3.340 2.122 3.142 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -4.029 2.578 5.817 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -4.171 1.219 3.816 1.00 0.00 C ATOM 1018 CZ PHE A 66 -4.515 1.449 5.153 1.00 0.00 C ATOM 0 H PHE A 66 -1.150 4.788 5.479 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.134 3.118 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.313 5.253 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.023 4.070 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.816 4.349 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.077 1.948 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.297 2.756 6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.546 0.345 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.157 0.753 5.672 1.00 0.00 H new ATOM 1028 N ARG A 67 1.084 5.859 3.823 1.00 0.00 N ATOM 1029 CA ARG A 67 1.937 6.977 3.348 1.00 0.00 C ATOM 1030 C ARG A 67 2.746 6.537 2.126 1.00 0.00 C ATOM 1031 O ARG A 67 3.199 7.353 1.351 1.00 0.00 O ATOM 1032 CB ARG A 67 2.882 7.372 4.476 1.00 0.00 C ATOM 1033 CG ARG A 67 3.920 6.266 4.669 1.00 0.00 C ATOM 1034 CD ARG A 67 4.176 6.041 6.161 1.00 0.00 C ATOM 1035 NE ARG A 67 5.578 5.583 6.352 1.00 0.00 N ATOM 1036 CZ ARG A 67 6.183 5.785 7.492 1.00 0.00 C ATOM 1037 NH1 ARG A 67 5.557 6.386 8.466 1.00 0.00 N ATOM 1038 NH2 ARG A 67 7.414 5.384 7.657 1.00 0.00 N ATOM 0 H ARG A 67 1.151 5.661 4.821 1.00 0.00 H new ATOM 0 HA ARG A 67 1.314 7.825 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.376 8.314 4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.322 7.528 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.569 5.342 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.850 6.538 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.003 6.964 6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.481 5.298 6.554 1.00 0.00 H new ATOM 0 HE ARG A 67 6.068 5.111 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.595 6.698 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.030 6.543 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.903 4.913 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.887 5.542 8.547 1.00 0.00 H new ATOM 1052 N SER A 68 2.938 5.257 1.948 1.00 0.00 N ATOM 1053 CA SER A 68 3.723 4.783 0.772 1.00 0.00 C ATOM 1054 C SER A 68 3.181 3.431 0.294 1.00 0.00 C ATOM 1055 O SER A 68 2.714 2.626 1.073 1.00 0.00 O ATOM 1056 CB SER A 68 5.193 4.637 1.167 1.00 0.00 C ATOM 1057 OG SER A 68 5.950 4.255 0.026 1.00 0.00 O ATOM 0 H SER A 68 2.587 4.523 2.563 1.00 0.00 H new ATOM 0 HA SER A 68 3.633 5.508 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.569 5.578 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.298 3.890 1.954 1.00 0.00 H new ATOM 0 HG SER A 68 6.727 4.846 -0.064 1.00 0.00 H new ATOM 1063 N ILE A 69 3.238 3.181 -0.988 1.00 0.00 N ATOM 1064 CA ILE A 69 2.728 1.891 -1.531 1.00 0.00 C ATOM 1065 C ILE A 69 3.498 0.731 -0.902 1.00 0.00 C ATOM 1066 O ILE A 69 2.944 -0.311 -0.597 1.00 0.00 O ATOM 1067 CB ILE A 69 2.943 1.867 -3.043 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.576 3.230 -3.627 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.046 0.799 -3.660 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.846 4.062 -3.831 1.00 0.00 C ATOM 0 H ILE A 69 3.619 3.821 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 69 1.667 1.793 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 69 3.987 1.643 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.057 3.102 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.892 3.751 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.195 0.778 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.297 -0.175 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.003 1.030 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.581 5.034 -4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.347 4.202 -2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.515 3.543 -4.518 1.00 0.00 H new ATOM 1082 N ARG A 70 4.775 0.902 -0.712 1.00 0.00 N ATOM 1083 CA ARG A 70 5.595 -0.182 -0.110 1.00 0.00 C ATOM 1084 C ARG A 70 5.023 -0.553 1.257 1.00 0.00 C ATOM 1085 O ARG A 70 4.960 -1.710 1.627 1.00 0.00 O ATOM 1086 CB ARG A 70 7.029 0.321 0.054 1.00 0.00 C ATOM 1087 CG ARG A 70 7.018 1.562 0.949 1.00 0.00 C ATOM 1088 CD ARG A 70 8.210 2.463 0.613 1.00 0.00 C ATOM 1089 NE ARG A 70 9.471 1.800 1.046 1.00 0.00 N ATOM 1090 CZ ARG A 70 9.839 1.850 2.297 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.099 2.478 3.170 1.00 0.00 N ATOM 1092 NH2 ARG A 70 10.944 1.269 2.675 1.00 0.00 N ATOM 0 H ARG A 70 5.288 1.751 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 70 5.582 -1.061 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.653 -0.456 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.458 0.561 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.087 2.111 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.061 1.265 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.240 2.660 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.103 3.426 1.112 1.00 0.00 H new ATOM 0 HE ARG A 70 10.047 1.306 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.233 2.929 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.386 2.517 4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.520 0.776 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.232 1.308 3.653 1.00 0.00 H new ATOM 1106 N SER A 71 4.604 0.423 2.011 1.00 0.00 N ATOM 1107 CA SER A 71 4.035 0.141 3.355 1.00 0.00 C ATOM 1108 C SER A 71 2.736 -0.656 3.220 1.00 0.00 C ATOM 1109 O SER A 71 2.433 -1.505 4.034 1.00 0.00 O ATOM 1110 CB SER A 71 3.741 1.466 4.051 1.00 0.00 C ATOM 1111 OG SER A 71 2.726 2.157 3.336 1.00 0.00 O ATOM 0 H SER A 71 4.632 1.409 1.752 1.00 0.00 H new ATOM 0 HA SER A 71 4.750 -0.442 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.421 1.288 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.645 2.073 4.100 1.00 0.00 H new ATOM 0 HG SER A 71 2.838 2.001 2.375 1.00 0.00 H new ATOM 1117 N ILE A 72 1.960 -0.384 2.206 1.00 0.00 N ATOM 1118 CA ILE A 72 0.683 -1.117 2.034 1.00 0.00 C ATOM 1119 C ILE A 72 0.956 -2.605 1.807 1.00 0.00 C ATOM 1120 O ILE A 72 0.329 -3.455 2.405 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.064 -0.542 0.833 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.325 0.949 1.064 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.393 -1.271 0.669 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.049 1.534 -0.149 1.00 0.00 C ATOM 0 H ILE A 72 2.159 0.316 1.491 1.00 0.00 H new ATOM 0 HA ILE A 72 0.078 -1.005 2.934 1.00 0.00 H new ATOM 0 HB ILE A 72 0.536 -0.671 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.927 1.089 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.617 1.473 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.929 -0.863 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.208 -2.333 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.994 -1.139 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.235 2.595 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.431 1.407 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.998 1.017 -0.290 1.00 0.00 H new ATOM 1136 N ASP A 73 1.880 -2.931 0.944 1.00 0.00 N ATOM 1137 CA ASP A 73 2.169 -4.369 0.690 1.00 0.00 C ATOM 1138 C ASP A 73 2.690 -5.018 1.973 1.00 0.00 C ATOM 1139 O ASP A 73 2.348 -6.138 2.298 1.00 0.00 O ATOM 1140 CB ASP A 73 3.233 -4.487 -0.401 1.00 0.00 C ATOM 1141 CG ASP A 73 4.609 -4.182 0.190 1.00 0.00 C ATOM 1142 OD1 ASP A 73 5.058 -4.948 1.027 1.00 0.00 O ATOM 1143 OD2 ASP A 73 5.193 -3.191 -0.206 1.00 0.00 O ATOM 0 H ASP A 73 2.442 -2.269 0.409 1.00 0.00 H new ATOM 0 HA ASP A 73 1.257 -4.872 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.223 -5.491 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.013 -3.795 -1.214 1.00 0.00 H new ATOM 1148 N ALA A 74 3.516 -4.322 2.705 1.00 0.00 N ATOM 1149 CA ALA A 74 4.063 -4.895 3.965 1.00 0.00 C ATOM 1150 C ALA A 74 2.939 -5.067 4.985 1.00 0.00 C ATOM 1151 O ALA A 74 2.825 -6.089 5.630 1.00 0.00 O ATOM 1152 CB ALA A 74 5.128 -3.956 4.529 1.00 0.00 C ATOM 0 H ALA A 74 3.836 -3.379 2.483 1.00 0.00 H new ATOM 0 HA ALA A 74 4.508 -5.868 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.530 -4.374 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.932 -3.840 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.683 -2.983 4.735 1.00 0.00 H new ATOM 1158 N PHE A 75 2.108 -4.074 5.136 1.00 0.00 N ATOM 1159 CA PHE A 75 0.993 -4.187 6.116 1.00 0.00 C ATOM 1160 C PHE A 75 0.059 -5.317 5.682 1.00 0.00 C ATOM 1161 O PHE A 75 -0.369 -6.125 6.482 1.00 0.00 O ATOM 1162 CB PHE A 75 0.218 -2.875 6.164 1.00 0.00 C ATOM 1163 CG PHE A 75 -0.783 -2.928 7.293 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -0.410 -2.514 8.577 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.081 -3.393 7.058 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -1.336 -2.564 9.626 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.007 -3.445 8.106 1.00 0.00 C ATOM 1168 CZ PHE A 75 -2.636 -3.030 9.391 1.00 0.00 C ATOM 0 H PHE A 75 2.152 -3.192 4.625 1.00 0.00 H new ATOM 0 HA PHE A 75 1.396 -4.402 7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.903 -2.040 6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.294 -2.707 5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.593 -2.156 8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.369 -3.712 6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.048 -2.243 10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.009 -3.805 7.924 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.351 -3.069 10.200 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.251 -5.381 4.417 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.145 -6.453 3.920 1.00 0.00 C ATOM 1180 C VAL A 76 -0.499 -7.811 4.199 1.00 0.00 C ATOM 1181 O VAL A 76 -1.129 -8.718 4.705 1.00 0.00 O ATOM 1182 CB VAL A 76 -1.328 -6.270 2.415 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.024 -7.491 1.831 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.179 -5.026 2.156 1.00 0.00 C ATOM 0 H VAL A 76 0.081 -4.730 3.705 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.113 -6.405 4.420 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.353 -6.151 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.153 -7.357 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.418 -8.378 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.000 -7.613 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.311 -4.893 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.153 -5.147 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.680 -4.151 2.571 1.00 0.00 H new ATOM 1194 N VAL A 77 0.760 -7.948 3.887 1.00 0.00 N ATOM 1195 CA VAL A 77 1.455 -9.232 4.144 1.00 0.00 C ATOM 1196 C VAL A 77 1.607 -9.425 5.654 1.00 0.00 C ATOM 1197 O VAL A 77 1.412 -10.502 6.179 1.00 0.00 O ATOM 1198 CB VAL A 77 2.832 -9.185 3.484 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.655 -10.384 3.942 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.670 -9.231 1.963 1.00 0.00 C ATOM 0 H VAL A 77 1.336 -7.221 3.464 1.00 0.00 H new ATOM 0 HA VAL A 77 0.882 -10.063 3.733 1.00 0.00 H new ATOM 0 HB VAL A 77 3.340 -8.264 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.638 -10.352 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.770 -10.354 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.146 -11.305 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.652 -9.197 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.162 -10.153 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.080 -8.376 1.634 1.00 0.00 H new ATOM 1210 N GLY A 78 1.954 -8.379 6.353 1.00 0.00 N ATOM 1211 CA GLY A 78 2.122 -8.479 7.830 1.00 0.00 C ATOM 1212 C GLY A 78 0.764 -8.702 8.497 1.00 0.00 C ATOM 1213 O GLY A 78 0.679 -9.171 9.614 1.00 0.00 O ATOM 0 H GLY A 78 2.129 -7.454 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.795 -9.301 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.580 -7.568 8.215 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.303 -8.358 7.831 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.648 -8.544 8.445 1.00 0.00 C ATOM 1219 C ALA A 79 -1.938 -10.036 8.614 1.00 0.00 C ATOM 1220 O ALA A 79 -2.540 -10.454 9.584 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.711 -7.918 7.541 1.00 0.00 C ATOM 0 H ALA A 79 -0.303 -7.958 6.893 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.668 -8.061 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.695 -8.053 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.509 -6.853 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.688 -8.401 6.564 1.00 0.00 H new ATOM 1227 N THR A 80 -1.514 -10.843 7.683 1.00 0.00 N ATOM 1228 CA THR A 80 -1.768 -12.305 7.798 1.00 0.00 C ATOM 1229 C THR A 80 -0.639 -12.964 8.588 1.00 0.00 C ATOM 1230 O THR A 80 -0.818 -14.004 9.192 1.00 0.00 O ATOM 1231 CB THR A 80 -1.847 -12.920 6.399 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.580 -12.812 5.765 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.899 -12.179 5.574 1.00 0.00 C ATOM 0 H THR A 80 -1.003 -10.554 6.849 1.00 0.00 H new ATOM 0 HA THR A 80 -2.711 -12.469 8.319 1.00 0.00 H new ATOM 0 HB THR A 80 -2.125 -13.971 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.090 -12.051 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.955 -12.617 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.870 -12.263 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.623 -11.128 5.493 1.00 0.00 H new ATOM 1241 N THR A 81 0.525 -12.373 8.583 1.00 0.00 N ATOM 1242 CA THR A 81 1.666 -12.969 9.326 1.00 0.00 C ATOM 1243 C THR A 81 2.370 -11.884 10.153 1.00 0.00 C ATOM 1244 O THR A 81 2.343 -10.722 9.806 1.00 0.00 O ATOM 1245 CB THR A 81 2.650 -13.567 8.324 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.428 -12.992 7.044 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.446 -15.080 8.248 1.00 0.00 C ATOM 0 H THR A 81 0.733 -11.502 8.095 1.00 0.00 H new ATOM 0 HA THR A 81 1.301 -13.747 9.997 1.00 0.00 H new ATOM 0 HB THR A 81 3.670 -13.356 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.060 -13.374 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.149 -15.506 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.617 -15.520 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.427 -15.294 7.927 1.00 0.00 H new ATOM 1255 N PRO A 82 3.003 -12.261 11.235 1.00 0.00 N ATOM 1256 CA PRO A 82 3.729 -11.301 12.113 1.00 0.00 C ATOM 1257 C PRO A 82 4.509 -10.253 11.302 1.00 0.00 C ATOM 1258 O PRO A 82 5.560 -10.543 10.766 1.00 0.00 O ATOM 1259 CB PRO A 82 4.698 -12.193 12.885 1.00 0.00 C ATOM 1260 CG PRO A 82 4.060 -13.545 12.931 1.00 0.00 C ATOM 1261 CD PRO A 82 3.097 -13.640 11.743 1.00 0.00 C ATOM 0 HA PRO A 82 3.049 -10.733 12.748 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.669 -12.235 12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.869 -11.807 13.890 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.816 -14.328 12.875 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.525 -13.685 13.870 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.475 -14.320 10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.122 -14.017 12.051 1.00 0.00 H new ATOM 1269 N PRO A 83 4.007 -9.044 11.209 1.00 0.00 N ATOM 1270 CA PRO A 83 4.685 -7.957 10.444 1.00 0.00 C ATOM 1271 C PRO A 83 6.105 -7.690 10.950 1.00 0.00 C ATOM 1272 O PRO A 83 6.386 -7.792 12.128 1.00 0.00 O ATOM 1273 CB PRO A 83 3.813 -6.720 10.668 1.00 0.00 C ATOM 1274 CG PRO A 83 2.499 -7.217 11.177 1.00 0.00 C ATOM 1275 CD PRO A 83 2.747 -8.585 11.812 1.00 0.00 C ATOM 0 HA PRO A 83 4.788 -8.227 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.276 -6.043 11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.684 -6.162 9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.083 -6.524 11.908 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.777 -7.295 10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.829 -8.511 12.896 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.930 -9.275 11.601 1.00 0.00 H new ATOM 1283 N VAL A 84 6.999 -7.343 10.067 1.00 0.00 N ATOM 1284 CA VAL A 84 8.400 -7.062 10.489 1.00 0.00 C ATOM 1285 C VAL A 84 8.631 -5.549 10.504 1.00 0.00 C ATOM 1286 O VAL A 84 8.173 -4.835 9.635 1.00 0.00 O ATOM 1287 CB VAL A 84 9.370 -7.716 9.504 1.00 0.00 C ATOM 1288 CG1 VAL A 84 9.130 -9.227 9.478 1.00 0.00 C ATOM 1289 CG2 VAL A 84 9.143 -7.140 8.106 1.00 0.00 C ATOM 0 H VAL A 84 6.819 -7.242 9.068 1.00 0.00 H new ATOM 0 HA VAL A 84 8.569 -7.467 11.487 1.00 0.00 H new ATOM 0 HB VAL A 84 10.395 -7.516 9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.821 -9.693 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.292 -9.638 10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.105 -9.427 9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.834 -7.606 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.118 -7.339 7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.314 -6.064 8.124 1.00 0.00 H new ATOM 1299 N GLU A 85 9.344 -5.056 11.482 1.00 0.00 N ATOM 1300 CA GLU A 85 9.611 -3.590 11.552 1.00 0.00 C ATOM 1301 C GLU A 85 8.346 -2.816 11.170 1.00 0.00 C ATOM 1302 O GLU A 85 8.398 -1.849 10.436 1.00 0.00 O ATOM 1303 CB GLU A 85 10.739 -3.231 10.585 1.00 0.00 C ATOM 1304 CG GLU A 85 12.019 -3.958 11.000 1.00 0.00 C ATOM 1305 CD GLU A 85 13.164 -3.544 10.073 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.892 -2.882 9.086 1.00 0.00 O ATOM 1307 OE2 GLU A 85 14.295 -3.898 10.367 1.00 0.00 O ATOM 0 H GLU A 85 9.754 -5.607 12.237 1.00 0.00 H new ATOM 0 HA GLU A 85 9.903 -3.325 12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.463 -3.510 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.904 -2.154 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.268 -3.717 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.869 -5.037 10.952 1.00 0.00 H new ATOM 1314 N ALA A 86 7.211 -3.233 11.659 1.00 0.00 N ATOM 1315 CA ALA A 86 5.947 -2.520 11.320 1.00 0.00 C ATOM 1316 C ALA A 86 6.042 -1.063 11.777 1.00 0.00 C ATOM 1317 O ALA A 86 6.660 -0.756 12.777 1.00 0.00 O ATOM 1318 CB ALA A 86 4.773 -3.201 12.026 1.00 0.00 C ATOM 0 H ALA A 86 7.104 -4.036 12.278 1.00 0.00 H new ATOM 0 HA ALA A 86 5.791 -2.551 10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.848 -2.680 11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.704 -4.238 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.929 -3.170 13.104 1.00 0.00 H new ATOM 1324 N LYS A 87 5.437 -0.162 11.051 1.00 0.00 N ATOM 1325 CA LYS A 87 5.494 1.274 11.445 1.00 0.00 C ATOM 1326 C LYS A 87 4.931 1.440 12.859 1.00 0.00 C ATOM 1327 O LYS A 87 5.400 2.251 13.632 1.00 0.00 O ATOM 1328 CB LYS A 87 4.666 2.105 10.461 1.00 0.00 C ATOM 1329 CG LYS A 87 5.311 2.049 9.075 1.00 0.00 C ATOM 1330 CD LYS A 87 4.544 2.964 8.117 1.00 0.00 C ATOM 1331 CE LYS A 87 5.113 2.823 6.703 1.00 0.00 C ATOM 1332 NZ LYS A 87 5.303 1.379 6.387 1.00 0.00 N ATOM 0 H LYS A 87 4.906 -0.359 10.203 1.00 0.00 H new ATOM 0 HA LYS A 87 6.529 1.616 11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.646 1.723 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.604 3.138 10.803 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.354 2.360 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.305 1.025 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.485 2.705 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.620 4.000 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.437 3.279 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.063 3.351 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.526 1.271 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.085 0.999 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.430 0.858 6.606 1.00 0.00 H new ATOM 1346 N LEU A 88 3.931 0.674 13.204 1.00 0.00 N ATOM 1347 CA LEU A 88 3.344 0.786 14.570 1.00 0.00 C ATOM 1348 C LEU A 88 3.977 -0.265 15.483 1.00 0.00 C ATOM 1349 O LEU A 88 4.225 -1.384 15.078 1.00 0.00 O ATOM 1350 CB LEU A 88 1.828 0.560 14.509 1.00 0.00 C ATOM 1351 CG LEU A 88 1.152 1.696 13.732 1.00 0.00 C ATOM 1352 CD1 LEU A 88 1.400 3.025 14.446 1.00 0.00 C ATOM 1353 CD2 LEU A 88 1.717 1.767 12.311 1.00 0.00 C ATOM 0 H LEU A 88 3.496 -0.023 12.600 1.00 0.00 H new ATOM 0 HA LEU A 88 3.542 1.783 14.963 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.615 -0.395 14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.420 0.508 15.519 1.00 0.00 H new ATOM 0 HG LEU A 88 0.080 1.503 13.682 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.919 3.831 13.892 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.986 2.980 15.453 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.472 3.213 14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.231 2.577 11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.790 1.952 12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.532 0.823 11.798 1.00 0.00 H new ATOM 1365 N GLN A 89 4.240 0.084 16.712 1.00 0.00 N ATOM 1366 CA GLN A 89 4.858 -0.896 17.650 1.00 0.00 C ATOM 1367 C GLN A 89 3.993 -2.158 17.710 1.00 0.00 C ATOM 1368 O GLN A 89 3.014 -2.216 16.985 1.00 0.00 O ATOM 1369 CB GLN A 89 4.953 -0.277 19.046 1.00 0.00 C ATOM 1370 CG GLN A 89 5.904 0.922 19.008 1.00 0.00 C ATOM 1371 CD GLN A 89 5.961 1.571 20.392 1.00 0.00 C ATOM 1372 OE1 GLN A 89 5.107 1.335 21.223 1.00 0.00 O ATOM 1373 NE2 GLN A 89 6.940 2.387 20.677 1.00 0.00 N ATOM 1374 OXT GLN A 89 4.327 -3.044 18.479 1.00 0.00 O ATOM 0 H GLN A 89 4.054 1.005 17.108 1.00 0.00 H new ATOM 0 HA GLN A 89 5.857 -1.155 17.299 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.966 0.039 19.384 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.313 -1.018 19.760 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.900 0.600 18.704 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.564 1.647 18.268 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.658 2.586 19.980 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.987 2.826 21.597 1.00 0.00 H new TER 1383 GLN A 89