USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 25 HIS :FLIP no HE2:sc= -0.0837 F(o=-1.2,f=0.56) USER MOD Set 1.2: A 59 SER OG : rot 47:sc= 0.644 USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0433 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0805 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 10 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.8!) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.194 F(o=-0.8,f=-0.19) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.382 (180deg=-1.3!) USER MOD Single : A 35 SER OG : rot 81:sc= 1.2 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.269 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -2.54! C(o=-2.5!,f=-6.3!) USER MOD Single : A 54 ASN : amide:sc=-0.00935 K(o=-0.0094,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= -0.448 (180deg=-1.73!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.975 10.432 -9.644 1.00 0.00 N ATOM 2 CA GLY A 1 6.031 11.815 -10.079 1.00 0.00 C ATOM 3 C GLY A 1 4.673 12.488 -10.046 1.00 0.00 C ATOM 4 O GLY A 1 3.910 12.409 -11.008 1.00 0.00 O ATOM 0 H1 GLY A 1 6.928 10.016 -9.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.620 10.389 -8.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.337 9.897 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.722 12.366 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.430 11.858 -11.092 1.00 0.00 H new ATOM 8 N SER A 2 4.370 13.151 -8.934 1.00 0.00 N ATOM 9 CA SER A 2 3.092 13.836 -8.778 1.00 0.00 C ATOM 10 C SER A 2 2.783 14.696 -9.999 1.00 0.00 C ATOM 11 O SER A 2 1.726 14.562 -10.615 1.00 0.00 O ATOM 12 CB SER A 2 3.106 14.705 -7.518 1.00 0.00 C ATOM 13 OG SER A 2 4.230 15.569 -7.508 1.00 0.00 O ATOM 0 H SER A 2 4.991 13.228 -8.129 1.00 0.00 H new ATOM 0 HA SER A 2 2.312 13.080 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.190 15.294 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.124 14.068 -6.633 1.00 0.00 H new ATOM 0 HG SER A 2 4.216 16.115 -6.694 1.00 0.00 H new ATOM 19 N SER A 3 3.715 15.579 -10.344 1.00 0.00 N ATOM 20 CA SER A 3 3.542 16.465 -11.490 1.00 0.00 C ATOM 21 C SER A 3 3.593 15.679 -12.796 1.00 0.00 C ATOM 22 O SER A 3 2.699 15.786 -13.634 1.00 0.00 O ATOM 23 CB SER A 3 4.621 17.549 -11.491 1.00 0.00 C ATOM 24 OG SER A 3 4.414 18.475 -10.438 1.00 0.00 O ATOM 0 H SER A 3 4.597 15.700 -9.847 1.00 0.00 H new ATOM 0 HA SER A 3 2.563 16.938 -11.408 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.604 17.089 -11.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.614 18.073 -12.447 1.00 0.00 H new ATOM 0 HG SER A 3 5.118 19.157 -10.459 1.00 0.00 H new ATOM 30 N GLY A 4 4.649 14.888 -12.963 1.00 0.00 N ATOM 31 CA GLY A 4 4.799 14.095 -14.169 1.00 0.00 C ATOM 32 C GLY A 4 5.484 12.767 -13.909 1.00 0.00 C ATOM 33 O GLY A 4 6.437 12.694 -13.134 1.00 0.00 O ATOM 0 H GLY A 4 5.403 14.782 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.817 13.914 -14.606 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.375 14.660 -14.902 1.00 0.00 H new ATOM 37 N SER A 5 4.996 11.715 -14.557 1.00 0.00 N ATOM 38 CA SER A 5 5.564 10.382 -14.388 1.00 0.00 C ATOM 39 C SER A 5 5.424 9.565 -15.669 1.00 0.00 C ATOM 40 O SER A 5 4.537 9.816 -16.485 1.00 0.00 O ATOM 41 CB SER A 5 4.878 9.656 -13.229 1.00 0.00 C ATOM 42 OG SER A 5 5.606 8.502 -12.848 1.00 0.00 O ATOM 0 H SER A 5 4.209 11.759 -15.204 1.00 0.00 H new ATOM 0 HA SER A 5 6.625 10.492 -14.162 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.786 10.330 -12.377 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.867 9.372 -13.521 1.00 0.00 H new ATOM 0 HG SER A 5 5.148 8.057 -12.105 1.00 0.00 H new ATOM 48 N SER A 6 6.307 8.586 -15.838 1.00 0.00 N ATOM 49 CA SER A 6 6.285 7.734 -17.021 1.00 0.00 C ATOM 50 C SER A 6 5.786 6.335 -16.674 1.00 0.00 C ATOM 51 O SER A 6 4.878 5.810 -17.317 1.00 0.00 O ATOM 52 CB SER A 6 7.682 7.650 -17.640 1.00 0.00 C ATOM 53 OG SER A 6 8.625 7.154 -16.706 1.00 0.00 O ATOM 0 H SER A 6 7.046 8.363 -15.171 1.00 0.00 H new ATOM 0 HA SER A 6 5.600 8.176 -17.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.657 7.001 -18.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.991 8.637 -17.984 1.00 0.00 H new ATOM 0 HG SER A 6 9.509 7.108 -17.127 1.00 0.00 H new ATOM 59 N GLY A 7 6.386 5.736 -15.650 1.00 0.00 N ATOM 60 CA GLY A 7 5.990 4.403 -15.234 1.00 0.00 C ATOM 61 C GLY A 7 7.135 3.623 -14.620 1.00 0.00 C ATOM 62 O GLY A 7 8.250 3.625 -15.144 1.00 0.00 O ATOM 0 H GLY A 7 7.139 6.150 -15.101 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.177 4.478 -14.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.603 3.857 -16.094 1.00 0.00 H new ATOM 66 N THR A 8 6.863 2.954 -13.504 1.00 0.00 N ATOM 67 CA THR A 8 7.879 2.168 -12.817 1.00 0.00 C ATOM 68 C THR A 8 7.255 0.998 -12.065 1.00 0.00 C ATOM 69 O THR A 8 6.119 1.082 -11.600 1.00 0.00 O ATOM 70 CB THR A 8 8.681 3.031 -11.824 1.00 0.00 C ATOM 71 OG1 THR A 8 8.824 4.361 -12.336 1.00 0.00 O ATOM 72 CG2 THR A 8 10.055 2.429 -11.571 1.00 0.00 C ATOM 0 H THR A 8 5.946 2.941 -13.057 1.00 0.00 H new ATOM 0 HA THR A 8 8.553 1.786 -13.583 1.00 0.00 H new ATOM 0 HB THR A 8 8.136 3.062 -10.880 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.333 4.904 -11.699 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.603 3.056 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.943 1.428 -11.155 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.606 2.372 -12.510 1.00 0.00 H new ATOM 80 N ALA A 9 8.005 -0.093 -11.949 1.00 0.00 N ATOM 81 CA ALA A 9 7.526 -1.280 -11.251 1.00 0.00 C ATOM 82 C ALA A 9 7.858 -1.214 -9.764 1.00 0.00 C ATOM 83 O ALA A 9 7.723 -2.204 -9.045 1.00 0.00 O ATOM 84 CB ALA A 9 8.121 -2.534 -11.872 1.00 0.00 C ATOM 0 H ALA A 9 8.947 -0.179 -12.330 1.00 0.00 H new ATOM 0 HA ALA A 9 6.441 -1.318 -11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.754 -3.412 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.828 -2.595 -12.920 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.208 -2.495 -11.801 1.00 0.00 H new ATOM 90 N GLN A 10 8.294 -0.043 -9.311 1.00 0.00 N ATOM 91 CA GLN A 10 8.647 0.150 -7.910 1.00 0.00 C ATOM 92 C GLN A 10 7.468 -0.183 -7.001 1.00 0.00 C ATOM 93 O GLN A 10 6.314 -0.216 -7.427 1.00 0.00 O ATOM 94 CB GLN A 10 9.100 1.591 -7.670 1.00 0.00 C ATOM 95 CG GLN A 10 10.591 1.802 -7.873 1.00 0.00 C ATOM 96 CD GLN A 10 11.433 0.912 -6.980 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.659 -0.259 -7.286 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.904 1.464 -5.868 1.00 0.00 N ATOM 0 H GLN A 10 8.411 0.786 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 10 9.468 -0.526 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.553 2.252 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.836 1.882 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.843 1.607 -8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.837 2.845 -7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.692 2.438 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.478 0.914 -5.229 1.00 0.00 H new ATOM 107 N PRO A 11 7.764 -0.437 -5.717 1.00 0.00 N ATOM 108 CA PRO A 11 6.742 -0.772 -4.721 1.00 0.00 C ATOM 109 C PRO A 11 5.850 0.417 -4.383 1.00 0.00 C ATOM 110 O PRO A 11 4.670 0.253 -4.076 1.00 0.00 O ATOM 111 CB PRO A 11 7.562 -1.191 -3.498 1.00 0.00 C ATOM 112 CG PRO A 11 8.866 -0.489 -3.659 1.00 0.00 C ATOM 113 CD PRO A 11 9.118 -0.416 -5.140 1.00 0.00 C ATOM 0 HA PRO A 11 6.061 -1.544 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.068 -0.900 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.696 -2.272 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.829 0.508 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.666 -1.030 -3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.657 0.492 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.716 -1.258 -5.488 1.00 0.00 H new ATOM 121 N ASN A 12 6.422 1.616 -4.441 1.00 0.00 N ATOM 122 CA ASN A 12 5.678 2.833 -4.140 1.00 0.00 C ATOM 123 C ASN A 12 5.177 3.495 -5.420 1.00 0.00 C ATOM 124 O ASN A 12 4.064 4.017 -5.466 1.00 0.00 O ATOM 125 CB ASN A 12 6.556 3.812 -3.358 1.00 0.00 C ATOM 126 CG ASN A 12 7.573 3.104 -2.483 1.00 0.00 C ATOM 127 OD1 ASN A 12 7.151 2.018 -1.846 1.00 0.00 O flip ATOM 128 ND2 ASN A 12 8.724 3.529 -2.381 1.00 0.00 N flip ATOM 0 H ASN A 12 7.398 1.770 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 12 4.816 2.561 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.076 4.468 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.924 4.446 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.005 4.368 -2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.397 3.042 -1.789 1.00 0.00 H new ATOM 135 N ALA A 13 6.007 3.467 -6.458 1.00 0.00 N ATOM 136 CA ALA A 13 5.647 4.062 -7.740 1.00 0.00 C ATOM 137 C ALA A 13 4.291 3.554 -8.219 1.00 0.00 C ATOM 138 O ALA A 13 3.405 4.341 -8.550 1.00 0.00 O ATOM 139 CB ALA A 13 6.720 3.767 -8.778 1.00 0.00 C ATOM 0 H ALA A 13 6.933 3.039 -6.436 1.00 0.00 H new ATOM 0 HA ALA A 13 5.574 5.141 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.439 4.217 -9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.671 4.184 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.820 2.689 -8.902 1.00 0.00 H new ATOM 145 N ILE A 14 4.138 2.234 -8.254 1.00 0.00 N ATOM 146 CA ILE A 14 2.890 1.622 -8.693 1.00 0.00 C ATOM 147 C ILE A 14 1.729 2.035 -7.794 1.00 0.00 C ATOM 148 O ILE A 14 0.726 2.574 -8.264 1.00 0.00 O ATOM 149 CB ILE A 14 2.991 0.086 -8.708 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.212 -0.359 -9.517 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.720 -0.523 -9.280 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.562 -1.818 -9.329 1.00 0.00 C ATOM 0 H ILE A 14 4.862 1.569 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 14 2.705 1.976 -9.707 1.00 0.00 H new ATOM 0 HB ILE A 14 3.110 -0.265 -7.683 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.025 -0.172 -10.574 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.069 0.252 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.807 -1.610 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.868 -0.229 -8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.573 -0.167 -10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.437 -2.063 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.781 -2.007 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.721 -2.437 -9.641 1.00 0.00 H new ATOM 164 N LEU A 15 1.873 1.781 -6.498 1.00 0.00 N ATOM 165 CA LEU A 15 0.837 2.128 -5.531 1.00 0.00 C ATOM 166 C LEU A 15 0.410 3.584 -5.689 1.00 0.00 C ATOM 167 O LEU A 15 -0.752 3.926 -5.474 1.00 0.00 O ATOM 168 CB LEU A 15 1.339 1.883 -4.107 1.00 0.00 C ATOM 169 CG LEU A 15 1.132 0.472 -3.555 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.989 0.251 -2.319 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.337 0.234 -3.237 1.00 0.00 C ATOM 0 H LEU A 15 2.697 1.336 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.029 1.493 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.404 2.111 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.841 2.588 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 15 1.439 -0.244 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.828 -0.758 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.040 0.378 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.714 0.974 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.466 -0.775 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.670 0.957 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.929 0.349 -4.145 1.00 0.00 H new ATOM 183 N GLU A 16 1.358 4.435 -6.068 1.00 0.00 N ATOM 184 CA GLU A 16 1.079 5.854 -6.256 1.00 0.00 C ATOM 185 C GLU A 16 0.137 6.071 -7.436 1.00 0.00 C ATOM 186 O GLU A 16 -0.594 7.060 -7.488 1.00 0.00 O ATOM 187 CB GLU A 16 2.380 6.627 -6.479 1.00 0.00 C ATOM 188 CG GLU A 16 2.198 8.136 -6.485 1.00 0.00 C ATOM 189 CD GLU A 16 2.321 8.744 -5.101 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.061 8.178 -4.269 1.00 0.00 O ATOM 191 OE2 GLU A 16 1.677 9.784 -4.850 1.00 0.00 O ATOM 0 H GLU A 16 2.325 4.167 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 16 0.594 6.226 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.091 6.358 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.818 6.318 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.942 8.585 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.219 8.379 -6.899 1.00 0.00 H new ATOM 198 N LYS A 17 0.160 5.140 -8.383 1.00 0.00 N ATOM 199 CA LYS A 17 -0.692 5.227 -9.564 1.00 0.00 C ATOM 200 C LYS A 17 -2.079 4.660 -9.277 1.00 0.00 C ATOM 201 O LYS A 17 -3.092 5.290 -9.578 1.00 0.00 O ATOM 202 CB LYS A 17 -0.054 4.475 -10.734 1.00 0.00 C ATOM 203 CG LYS A 17 -0.443 5.026 -12.095 1.00 0.00 C ATOM 204 CD LYS A 17 0.550 4.613 -13.169 1.00 0.00 C ATOM 205 CE LYS A 17 0.316 5.372 -14.466 1.00 0.00 C ATOM 206 NZ LYS A 17 0.829 4.623 -15.647 1.00 0.00 N ATOM 0 H LYS A 17 0.760 4.315 -8.356 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.797 6.279 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.031 4.514 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.342 3.425 -10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.438 4.670 -12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.496 6.114 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.565 4.796 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.465 3.542 -13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.751 5.559 -14.590 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.806 6.344 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.651 5.173 -16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.852 4.466 -15.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.343 3.706 -15.714 1.00 0.00 H new ATOM 220 N VAL A 18 -2.116 3.467 -8.692 1.00 0.00 N ATOM 221 CA VAL A 18 -3.379 2.816 -8.362 1.00 0.00 C ATOM 222 C VAL A 18 -4.110 3.566 -7.255 1.00 0.00 C ATOM 223 O VAL A 18 -5.258 3.257 -6.934 1.00 0.00 O ATOM 224 CB VAL A 18 -3.160 1.357 -7.922 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.470 0.585 -7.960 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.112 0.688 -8.798 1.00 0.00 C ATOM 0 H VAL A 18 -1.286 2.932 -8.437 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.987 2.827 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.796 1.357 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.295 -0.444 -7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.188 1.053 -7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.867 0.592 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.970 -0.343 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.445 0.698 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.169 1.228 -8.714 1.00 0.00 H new ATOM 236 N PHE A 19 -3.438 4.554 -6.673 1.00 0.00 N ATOM 237 CA PHE A 19 -4.024 5.348 -5.599 1.00 0.00 C ATOM 238 C PHE A 19 -4.812 6.527 -6.163 1.00 0.00 C ATOM 239 O PHE A 19 -5.950 6.776 -5.764 1.00 0.00 O ATOM 240 CB PHE A 19 -2.930 5.856 -4.657 1.00 0.00 C ATOM 241 CG PHE A 19 -3.459 6.662 -3.505 1.00 0.00 C ATOM 242 CD1 PHE A 19 -3.977 7.930 -3.709 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.436 6.151 -2.217 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.464 8.674 -2.651 1.00 0.00 C ATOM 245 CE2 PHE A 19 -3.922 6.890 -1.155 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.436 8.154 -1.372 1.00 0.00 C ATOM 0 H PHE A 19 -2.488 4.824 -6.927 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.708 4.710 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.372 5.004 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.227 6.466 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.001 8.342 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.034 5.164 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.866 9.661 -2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.900 6.480 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.815 8.734 -0.543 1.00 0.00 H new ATOM 256 N THR A 20 -4.198 7.251 -7.094 1.00 0.00 N ATOM 257 CA THR A 20 -4.840 8.404 -7.712 1.00 0.00 C ATOM 258 C THR A 20 -5.192 8.123 -9.168 1.00 0.00 C ATOM 259 O THR A 20 -6.286 8.450 -9.627 1.00 0.00 O ATOM 260 CB THR A 20 -3.938 9.652 -7.645 1.00 0.00 C ATOM 261 OG1 THR A 20 -4.617 10.778 -8.212 1.00 0.00 O ATOM 262 CG2 THR A 20 -2.631 9.415 -8.387 1.00 0.00 C ATOM 0 H THR A 20 -3.257 7.059 -7.436 1.00 0.00 H new ATOM 0 HA THR A 20 -5.755 8.595 -7.151 1.00 0.00 H new ATOM 0 HB THR A 20 -3.712 9.854 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.038 11.567 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.011 10.309 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.103 8.576 -7.935 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.842 9.190 -9.433 1.00 0.00 H new ATOM 270 N ALA A 21 -4.257 7.513 -9.891 1.00 0.00 N ATOM 271 CA ALA A 21 -4.470 7.186 -11.295 1.00 0.00 C ATOM 272 C ALA A 21 -5.619 6.196 -11.459 1.00 0.00 C ATOM 273 O ALA A 21 -6.234 6.115 -12.523 1.00 0.00 O ATOM 274 CB ALA A 21 -3.195 6.624 -11.905 1.00 0.00 C ATOM 0 H ALA A 21 -3.345 7.236 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.737 8.103 -11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.369 6.384 -12.954 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.398 7.364 -11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.903 5.720 -11.370 1.00 0.00 H new ATOM 280 N ILE A 22 -5.901 5.444 -10.401 1.00 0.00 N ATOM 281 CA ILE A 22 -6.976 4.459 -10.429 1.00 0.00 C ATOM 282 C ILE A 22 -8.056 4.795 -9.406 1.00 0.00 C ATOM 283 O ILE A 22 -9.176 5.162 -9.765 1.00 0.00 O ATOM 284 CB ILE A 22 -6.447 3.040 -10.152 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.410 2.645 -11.206 1.00 0.00 C ATOM 286 CG2 ILE A 22 -7.594 2.042 -10.130 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.020 2.159 -12.502 1.00 0.00 C ATOM 0 H ILE A 22 -5.401 5.497 -9.514 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.405 4.489 -11.431 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.966 3.032 -9.174 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.771 3.503 -11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.770 1.862 -10.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.204 1.043 -9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.300 2.317 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.101 2.049 -11.095 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.227 1.897 -13.202 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.637 1.282 -12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.637 2.948 -12.932 1.00 0.00 H new ATOM 299 N THR A 23 -7.713 4.670 -8.128 1.00 0.00 N ATOM 300 CA THR A 23 -8.652 4.960 -7.052 1.00 0.00 C ATOM 301 C THR A 23 -7.946 4.997 -5.701 1.00 0.00 C ATOM 302 O THR A 23 -7.063 4.185 -5.428 1.00 0.00 O ATOM 303 CB THR A 23 -9.785 3.918 -6.998 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.803 4.348 -6.088 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.251 2.560 -6.566 1.00 0.00 C ATOM 0 H THR A 23 -6.791 4.369 -7.813 1.00 0.00 H new ATOM 0 HA THR A 23 -9.080 5.940 -7.262 1.00 0.00 H new ATOM 0 HB THR A 23 -10.209 3.822 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.520 3.681 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.069 1.840 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.497 2.222 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.803 2.643 -5.576 1.00 0.00 H new ATOM 313 N LYS A 24 -8.342 5.945 -4.858 1.00 0.00 N ATOM 314 CA LYS A 24 -7.749 6.087 -3.534 1.00 0.00 C ATOM 315 C LYS A 24 -8.191 4.953 -2.615 1.00 0.00 C ATOM 316 O LYS A 24 -7.426 4.495 -1.765 1.00 0.00 O ATOM 317 CB LYS A 24 -8.137 7.435 -2.921 1.00 0.00 C ATOM 318 CG LYS A 24 -7.615 8.630 -3.699 1.00 0.00 C ATOM 319 CD LYS A 24 -8.008 9.941 -3.039 1.00 0.00 C ATOM 320 CE LYS A 24 -7.985 11.094 -4.031 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.273 11.217 -4.768 1.00 0.00 N ATOM 0 H LYS A 24 -9.071 6.626 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.665 6.042 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.224 7.498 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.758 7.483 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.529 8.570 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.006 8.602 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.006 9.849 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.326 10.154 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.779 12.024 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.172 10.945 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.217 12.014 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.457 10.339 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.045 11.384 -4.092 1.00 0.00 H new ATOM 335 N HIS A 25 -9.430 4.503 -2.791 1.00 0.00 N ATOM 336 CA HIS A 25 -9.973 3.420 -1.979 1.00 0.00 C ATOM 337 C HIS A 25 -10.271 2.194 -2.836 1.00 0.00 C ATOM 338 O HIS A 25 -11.404 1.962 -3.257 1.00 0.00 O ATOM 339 CB HIS A 25 -11.244 3.879 -1.264 1.00 0.00 C ATOM 340 CG HIS A 25 -11.183 5.295 -0.782 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.235 6.465 -1.461 1.00 0.00 N flip ATOM 342 CD2 HIS A 25 -11.050 5.632 0.549 1.00 0.00 C flip ATOM 343 CE1 HIS A 25 -11.135 7.477 -0.538 1.00 0.00 C flip ATOM 344 NE2 HIS A 25 -11.025 6.948 0.667 1.00 0.00 N flip ATOM 0 H HIS A 25 -10.076 4.872 -3.489 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.225 3.147 -1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -12.091 3.771 -1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.430 3.222 -0.414 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.331 6.575 -2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.978 4.930 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.145 8.534 -0.761 1.00 0.00 H new ATOM 353 N PRO A 26 -9.230 1.391 -3.103 1.00 0.00 N ATOM 354 CA PRO A 26 -9.356 0.176 -3.914 1.00 0.00 C ATOM 355 C PRO A 26 -10.143 -0.918 -3.200 1.00 0.00 C ATOM 356 O PRO A 26 -10.472 -0.790 -2.020 1.00 0.00 O ATOM 357 CB PRO A 26 -7.904 -0.262 -4.125 1.00 0.00 C ATOM 358 CG PRO A 26 -7.164 0.311 -2.966 1.00 0.00 C ATOM 359 CD PRO A 26 -7.851 1.607 -2.635 1.00 0.00 C ATOM 0 HA PRO A 26 -9.900 0.359 -4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.818 -1.348 -4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.511 0.112 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.184 -0.370 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.116 0.478 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.818 1.818 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.382 2.451 -3.141 1.00 0.00 H new ATOM 367 N ASP A 27 -10.442 -1.992 -3.922 1.00 0.00 N ATOM 368 CA ASP A 27 -11.190 -3.110 -3.357 1.00 0.00 C ATOM 369 C ASP A 27 -10.251 -4.241 -2.949 1.00 0.00 C ATOM 370 O ASP A 27 -9.049 -4.185 -3.206 1.00 0.00 O ATOM 371 CB ASP A 27 -12.220 -3.623 -4.363 1.00 0.00 C ATOM 372 CG ASP A 27 -11.654 -3.735 -5.765 1.00 0.00 C ATOM 373 OD1 ASP A 27 -11.534 -2.693 -6.443 1.00 0.00 O ATOM 374 OD2 ASP A 27 -11.329 -4.866 -6.184 1.00 0.00 O ATOM 0 H ASP A 27 -10.178 -2.113 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.710 -2.755 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.582 -4.599 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.079 -2.952 -4.374 1.00 0.00 H new ATOM 379 N GLU A 28 -10.809 -5.266 -2.312 1.00 0.00 N ATOM 380 CA GLU A 28 -10.020 -6.409 -1.868 1.00 0.00 C ATOM 381 C GLU A 28 -9.299 -7.062 -3.043 1.00 0.00 C ATOM 382 O GLU A 28 -8.156 -7.504 -2.918 1.00 0.00 O ATOM 383 CB GLU A 28 -10.916 -7.435 -1.171 1.00 0.00 C ATOM 384 CG GLU A 28 -10.145 -8.480 -0.382 1.00 0.00 C ATOM 385 CD GLU A 28 -11.033 -9.275 0.556 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.800 -10.129 0.064 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.962 -9.043 1.781 1.00 0.00 O ATOM 0 H GLU A 28 -11.803 -5.328 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.273 -6.049 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.596 -6.913 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.530 -7.937 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.652 -9.162 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.361 -7.989 0.195 1.00 0.00 H new ATOM 394 N LYS A 29 -9.975 -7.121 -4.186 1.00 0.00 N ATOM 395 CA LYS A 29 -9.400 -7.719 -5.385 1.00 0.00 C ATOM 396 C LYS A 29 -8.230 -6.888 -5.900 1.00 0.00 C ATOM 397 O LYS A 29 -7.146 -7.415 -6.152 1.00 0.00 O ATOM 398 CB LYS A 29 -10.466 -7.849 -6.476 1.00 0.00 C ATOM 399 CG LYS A 29 -9.907 -7.767 -7.885 1.00 0.00 C ATOM 400 CD LYS A 29 -9.022 -8.960 -8.204 1.00 0.00 C ATOM 401 CE LYS A 29 -8.983 -9.241 -9.699 1.00 0.00 C ATOM 402 NZ LYS A 29 -10.349 -9.390 -10.271 1.00 0.00 N ATOM 0 H LYS A 29 -10.922 -6.762 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.031 -8.711 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.984 -8.800 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.209 -7.062 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.728 -7.720 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.333 -6.847 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.011 -8.772 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.391 -9.840 -7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.463 -8.429 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.411 -10.151 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.317 -10.041 -11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.989 -9.771 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.696 -8.462 -10.586 1.00 0.00 H new ATOM 416 N ARG A 30 -8.455 -5.587 -6.054 1.00 0.00 N ATOM 417 CA ARG A 30 -7.419 -4.684 -6.539 1.00 0.00 C ATOM 418 C ARG A 30 -6.069 -5.018 -5.911 1.00 0.00 C ATOM 419 O ARG A 30 -5.100 -5.310 -6.613 1.00 0.00 O ATOM 420 CB ARG A 30 -7.791 -3.233 -6.230 1.00 0.00 C ATOM 421 CG ARG A 30 -6.904 -2.214 -6.927 1.00 0.00 C ATOM 422 CD ARG A 30 -7.460 -1.831 -8.289 1.00 0.00 C ATOM 423 NE ARG A 30 -7.138 -2.823 -9.311 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.553 -2.742 -10.571 1.00 0.00 C ATOM 425 NH1 ARG A 30 -8.302 -1.720 -10.961 1.00 0.00 N ATOM 426 NH2 ARG A 30 -7.218 -3.685 -11.443 1.00 0.00 N ATOM 0 H ARG A 30 -9.346 -5.135 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.340 -4.810 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.827 -3.062 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.735 -3.074 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.814 -1.323 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.901 -2.623 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.542 -1.720 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.058 -0.862 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.563 -3.622 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.561 -0.994 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.619 -1.660 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.642 -4.473 -11.146 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.537 -3.622 -12.410 1.00 0.00 H new ATOM 440 N LEU A 31 -6.012 -4.974 -4.584 1.00 0.00 N ATOM 441 CA LEU A 31 -4.781 -5.271 -3.861 1.00 0.00 C ATOM 442 C LEU A 31 -4.155 -6.569 -4.362 1.00 0.00 C ATOM 443 O LEU A 31 -2.990 -6.594 -4.757 1.00 0.00 O ATOM 444 CB LEU A 31 -5.060 -5.373 -2.360 1.00 0.00 C ATOM 445 CG LEU A 31 -5.801 -4.191 -1.734 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.532 -4.627 -0.473 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.834 -3.057 -1.426 1.00 0.00 C ATOM 0 H LEU A 31 -6.804 -4.735 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.078 -4.457 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.641 -6.277 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.109 -5.496 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.538 -3.829 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.054 -3.773 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.254 -5.405 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.813 -5.016 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.379 -2.225 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.073 -3.407 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.356 -2.726 -2.348 1.00 0.00 H new ATOM 459 N GLU A 32 -4.937 -7.643 -4.344 1.00 0.00 N ATOM 460 CA GLU A 32 -4.459 -8.943 -4.799 1.00 0.00 C ATOM 461 C GLU A 32 -3.481 -8.788 -5.960 1.00 0.00 C ATOM 462 O GLU A 32 -2.433 -9.431 -5.994 1.00 0.00 O ATOM 463 CB GLU A 32 -5.636 -9.825 -5.223 1.00 0.00 C ATOM 464 CG GLU A 32 -6.692 -9.990 -4.143 1.00 0.00 C ATOM 465 CD GLU A 32 -7.534 -11.236 -4.337 1.00 0.00 C ATOM 466 OE1 GLU A 32 -6.952 -12.339 -4.408 1.00 0.00 O ATOM 467 OE2 GLU A 32 -8.773 -11.109 -4.417 1.00 0.00 O ATOM 0 H GLU A 32 -5.904 -7.639 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.938 -9.420 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.100 -9.395 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.259 -10.808 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.206 -10.032 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.341 -9.114 -4.138 1.00 0.00 H new ATOM 474 N GLY A 33 -3.834 -7.928 -6.912 1.00 0.00 N ATOM 475 CA GLY A 33 -2.978 -7.704 -8.062 1.00 0.00 C ATOM 476 C GLY A 33 -1.654 -7.069 -7.685 1.00 0.00 C ATOM 477 O GLY A 33 -0.604 -7.450 -8.204 1.00 0.00 O ATOM 0 H GLY A 33 -4.696 -7.384 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.792 -8.654 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.495 -7.063 -8.776 1.00 0.00 H new ATOM 481 N LEU A 34 -1.702 -6.097 -6.781 1.00 0.00 N ATOM 482 CA LEU A 34 -0.497 -5.406 -6.336 1.00 0.00 C ATOM 483 C LEU A 34 0.415 -6.348 -5.557 1.00 0.00 C ATOM 484 O LEU A 34 1.638 -6.280 -5.672 1.00 0.00 O ATOM 485 CB LEU A 34 -0.867 -4.202 -5.467 1.00 0.00 C ATOM 486 CG LEU A 34 -1.123 -2.891 -6.210 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.706 -1.849 -5.269 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.161 -2.379 -6.845 1.00 0.00 C ATOM 0 H LEU A 34 -2.562 -5.770 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 34 0.039 -5.058 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.761 -4.453 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.064 -4.038 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.847 -3.080 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.881 -0.923 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.649 -2.214 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.006 -1.662 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.040 -1.445 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.907 -2.206 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.537 -3.119 -7.552 1.00 0.00 H new ATOM 500 N SER A 35 -0.190 -7.230 -4.767 1.00 0.00 N ATOM 501 CA SER A 35 0.568 -8.186 -3.968 1.00 0.00 C ATOM 502 C SER A 35 1.752 -8.736 -4.758 1.00 0.00 C ATOM 503 O SER A 35 2.807 -9.029 -4.195 1.00 0.00 O ATOM 504 CB SER A 35 -0.336 -9.334 -3.516 1.00 0.00 C ATOM 505 OG SER A 35 0.422 -10.380 -2.932 1.00 0.00 O ATOM 0 H SER A 35 -1.202 -7.302 -4.663 1.00 0.00 H new ATOM 0 HA SER A 35 0.950 -7.666 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.066 -8.964 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.895 -9.718 -4.369 1.00 0.00 H new ATOM 0 HG SER A 35 0.629 -10.154 -2.001 1.00 0.00 H new ATOM 511 N LYS A 36 1.569 -8.874 -6.066 1.00 0.00 N ATOM 512 CA LYS A 36 2.620 -9.388 -6.936 1.00 0.00 C ATOM 513 C LYS A 36 3.735 -8.361 -7.107 1.00 0.00 C ATOM 514 O LYS A 36 4.871 -8.592 -6.693 1.00 0.00 O ATOM 515 CB LYS A 36 2.042 -9.761 -8.304 1.00 0.00 C ATOM 516 CG LYS A 36 1.544 -11.193 -8.383 1.00 0.00 C ATOM 517 CD LYS A 36 1.010 -11.522 -9.767 1.00 0.00 C ATOM 518 CE LYS A 36 2.122 -11.980 -10.699 1.00 0.00 C ATOM 519 NZ LYS A 36 1.594 -12.767 -11.848 1.00 0.00 N ATOM 0 H LYS A 36 0.702 -8.637 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 36 3.039 -10.280 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.219 -9.086 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.806 -9.608 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.356 -11.876 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.759 -11.348 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.253 -12.303 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.520 -10.644 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.664 -11.111 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.837 -12.586 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.383 -13.060 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.099 -13.610 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.932 -12.181 -12.395 1.00 0.00 H new ATOM 533 N GLN A 37 3.402 -7.228 -7.717 1.00 0.00 N ATOM 534 CA GLN A 37 4.376 -6.167 -7.941 1.00 0.00 C ATOM 535 C GLN A 37 5.053 -5.765 -6.634 1.00 0.00 C ATOM 536 O GLN A 37 6.281 -5.747 -6.538 1.00 0.00 O ATOM 537 CB GLN A 37 3.700 -4.950 -8.574 1.00 0.00 C ATOM 538 CG GLN A 37 3.014 -5.254 -9.896 1.00 0.00 C ATOM 539 CD GLN A 37 3.972 -5.226 -11.071 1.00 0.00 C ATOM 540 OE1 GLN A 37 4.209 -4.037 -11.613 1.00 0.00 O flip ATOM 541 NE2 GLN A 37 4.494 -6.261 -11.486 1.00 0.00 N flip ATOM 0 H GLN A 37 2.466 -7.022 -8.065 1.00 0.00 H new ATOM 0 HA GLN A 37 5.138 -6.546 -8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.965 -4.550 -7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.446 -4.172 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.543 -6.235 -9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.218 -4.528 -10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.283 -7.153 -11.039 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.137 -6.226 -12.277 1.00 0.00 H new ATOM 550 N LEU A 38 4.245 -5.442 -5.630 1.00 0.00 N ATOM 551 CA LEU A 38 4.765 -5.040 -4.328 1.00 0.00 C ATOM 552 C LEU A 38 5.419 -6.218 -3.615 1.00 0.00 C ATOM 553 O LEU A 38 6.360 -6.044 -2.840 1.00 0.00 O ATOM 554 CB LEU A 38 3.642 -4.465 -3.463 1.00 0.00 C ATOM 555 CG LEU A 38 2.642 -3.556 -4.179 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.564 -3.085 -3.215 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.356 -2.367 -4.805 1.00 0.00 C ATOM 0 H LEU A 38 3.227 -5.451 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 38 5.521 -4.271 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.094 -5.294 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.092 -3.903 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 38 2.165 -4.128 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.861 -2.439 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.033 -3.948 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.024 -2.530 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.629 -1.731 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.860 -1.794 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.091 -2.723 -5.527 1.00 0.00 H new ATOM 569 N ASP A 39 4.917 -7.419 -3.884 1.00 0.00 N ATOM 570 CA ASP A 39 5.455 -8.627 -3.271 1.00 0.00 C ATOM 571 C ASP A 39 5.093 -8.693 -1.790 1.00 0.00 C ATOM 572 O ASP A 39 5.819 -9.280 -0.989 1.00 0.00 O ATOM 573 CB ASP A 39 6.974 -8.679 -3.440 1.00 0.00 C ATOM 574 CG ASP A 39 7.517 -10.092 -3.369 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.743 -11.038 -3.624 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.716 -10.252 -3.056 1.00 0.00 O ATOM 0 H ASP A 39 4.138 -7.581 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 39 5.012 -9.487 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.245 -8.237 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.444 -8.073 -2.665 1.00 0.00 H new ATOM 581 N TRP A 40 3.966 -8.085 -1.435 1.00 0.00 N ATOM 582 CA TRP A 40 3.509 -8.074 -0.050 1.00 0.00 C ATOM 583 C TRP A 40 2.190 -8.825 0.094 1.00 0.00 C ATOM 584 O TRP A 40 1.633 -9.314 -0.889 1.00 0.00 O ATOM 585 CB TRP A 40 3.347 -6.635 0.443 1.00 0.00 C ATOM 586 CG TRP A 40 4.487 -5.742 0.056 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.763 -6.126 -0.244 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.454 -4.317 -0.071 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.525 -5.025 -0.549 1.00 0.00 N ATOM 590 CE2 TRP A 40 5.746 -3.903 -0.452 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.460 -3.350 0.098 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.066 -2.564 -0.664 1.00 0.00 C ATOM 593 CZ3 TRP A 40 3.779 -2.022 -0.113 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.073 -1.639 -0.492 1.00 0.00 C ATOM 0 H TRP A 40 3.353 -7.594 -2.086 1.00 0.00 H new ATOM 0 HA TRP A 40 4.260 -8.577 0.559 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.421 -6.224 0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.251 -6.639 1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.120 -7.145 -0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.512 -5.040 -0.806 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.460 -3.635 0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.063 -2.267 -0.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.018 -1.266 0.016 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.290 -0.593 -0.651 1.00 0.00 H new ATOM 605 N ASP A 41 1.695 -8.913 1.324 1.00 0.00 N ATOM 606 CA ASP A 41 0.440 -9.604 1.595 1.00 0.00 C ATOM 607 C ASP A 41 -0.752 -8.689 1.334 1.00 0.00 C ATOM 608 O ASP A 41 -0.711 -7.497 1.638 1.00 0.00 O ATOM 609 CB ASP A 41 0.410 -10.102 3.041 1.00 0.00 C ATOM 610 CG ASP A 41 1.595 -10.987 3.374 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.617 -12.148 2.913 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.500 -10.518 4.095 1.00 0.00 O ATOM 0 H ASP A 41 2.144 -8.514 2.149 1.00 0.00 H new ATOM 0 HA ASP A 41 0.372 -10.459 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.398 -9.247 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.513 -10.656 3.212 1.00 0.00 H new ATOM 617 N VAL A 42 -1.813 -9.255 0.768 1.00 0.00 N ATOM 618 CA VAL A 42 -3.017 -8.490 0.465 1.00 0.00 C ATOM 619 C VAL A 42 -3.301 -7.460 1.552 1.00 0.00 C ATOM 620 O VAL A 42 -3.826 -6.381 1.277 1.00 0.00 O ATOM 621 CB VAL A 42 -4.243 -9.410 0.311 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.473 -8.602 -0.071 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.967 -10.497 -0.717 1.00 0.00 C ATOM 0 H VAL A 42 -1.863 -10.241 0.510 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.837 -7.977 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.438 -9.890 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.329 -9.269 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.680 -7.865 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.294 -8.092 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.843 -11.138 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.745 -10.039 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.114 -11.095 -0.395 1.00 0.00 H new ATOM 633 N ARG A 43 -2.951 -7.800 2.788 1.00 0.00 N ATOM 634 CA ARG A 43 -3.169 -6.905 3.918 1.00 0.00 C ATOM 635 C ARG A 43 -2.021 -5.909 4.052 1.00 0.00 C ATOM 636 O ARG A 43 -2.240 -4.726 4.311 1.00 0.00 O ATOM 637 CB ARG A 43 -3.315 -7.709 5.212 1.00 0.00 C ATOM 638 CG ARG A 43 -4.633 -8.458 5.318 1.00 0.00 C ATOM 639 CD ARG A 43 -5.776 -7.525 5.686 1.00 0.00 C ATOM 640 NE ARG A 43 -5.888 -7.339 7.130 1.00 0.00 N ATOM 641 CZ ARG A 43 -6.280 -8.295 7.966 1.00 0.00 C ATOM 642 NH1 ARG A 43 -6.594 -9.497 7.503 1.00 0.00 N ATOM 643 NH2 ARG A 43 -6.356 -8.049 9.267 1.00 0.00 N ATOM 0 H ARG A 43 -2.515 -8.689 3.032 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.089 -6.350 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.494 -8.423 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.221 -7.033 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.852 -8.947 4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.547 -9.244 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.623 -6.558 5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.712 -7.928 5.299 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.653 -6.426 7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.535 -9.690 6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.895 -10.229 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.114 -7.126 9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.657 -8.783 9.908 1.00 0.00 H new ATOM 657 N SER A 44 -0.797 -6.397 3.875 1.00 0.00 N ATOM 658 CA SER A 44 0.385 -5.550 3.981 1.00 0.00 C ATOM 659 C SER A 44 0.289 -4.362 3.029 1.00 0.00 C ATOM 660 O SER A 44 0.869 -3.304 3.279 1.00 0.00 O ATOM 661 CB SER A 44 1.647 -6.361 3.677 1.00 0.00 C ATOM 662 OG SER A 44 1.769 -7.465 4.557 1.00 0.00 O ATOM 0 H SER A 44 -0.598 -7.374 3.658 1.00 0.00 H new ATOM 0 HA SER A 44 0.441 -5.172 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.616 -6.715 2.647 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.525 -5.721 3.768 1.00 0.00 H new ATOM 0 HG SER A 44 2.582 -7.967 4.341 1.00 0.00 H new ATOM 668 N ILE A 45 -0.447 -4.543 1.938 1.00 0.00 N ATOM 669 CA ILE A 45 -0.620 -3.486 0.950 1.00 0.00 C ATOM 670 C ILE A 45 -1.467 -2.346 1.506 1.00 0.00 C ATOM 671 O ILE A 45 -1.011 -1.207 1.592 1.00 0.00 O ATOM 672 CB ILE A 45 -1.279 -4.020 -0.336 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.496 -5.218 -0.877 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.366 -2.920 -1.383 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.084 -5.802 -2.142 1.00 0.00 C ATOM 0 H ILE A 45 -0.933 -5.412 1.716 1.00 0.00 H new ATOM 0 HA ILE A 45 0.376 -3.112 0.711 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.291 -4.349 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.532 -4.912 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.459 -5.993 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.834 -3.313 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.963 -2.095 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.364 -2.563 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.478 -6.647 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.102 -6.139 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.096 -5.041 -2.923 1.00 0.00 H new ATOM 687 N GLN A 46 -2.701 -2.663 1.884 1.00 0.00 N ATOM 688 CA GLN A 46 -3.611 -1.665 2.434 1.00 0.00 C ATOM 689 C GLN A 46 -2.879 -0.730 3.391 1.00 0.00 C ATOM 690 O GLN A 46 -3.103 0.481 3.383 1.00 0.00 O ATOM 691 CB GLN A 46 -4.773 -2.348 3.158 1.00 0.00 C ATOM 692 CG GLN A 46 -5.821 -2.923 2.220 1.00 0.00 C ATOM 693 CD GLN A 46 -7.096 -3.315 2.939 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.861 -2.458 3.384 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.333 -4.617 3.058 1.00 0.00 N ATOM 0 H GLN A 46 -3.094 -3.602 1.820 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.005 -1.074 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.380 -3.149 3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.249 -1.628 3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.054 -2.189 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.410 -3.797 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.672 -5.293 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.176 -4.941 3.533 1.00 0.00 H new ATOM 704 N ARG A 47 -2.004 -1.299 4.213 1.00 0.00 N ATOM 705 CA ARG A 47 -1.241 -0.515 5.177 1.00 0.00 C ATOM 706 C ARG A 47 -0.645 0.726 4.519 1.00 0.00 C ATOM 707 O ARG A 47 -0.664 1.815 5.092 1.00 0.00 O ATOM 708 CB ARG A 47 -0.126 -1.366 5.789 1.00 0.00 C ATOM 709 CG ARG A 47 -0.632 -2.607 6.507 1.00 0.00 C ATOM 710 CD ARG A 47 0.444 -3.215 7.393 1.00 0.00 C ATOM 711 NE ARG A 47 1.594 -3.677 6.620 1.00 0.00 N ATOM 712 CZ ARG A 47 2.660 -4.254 7.163 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.722 -4.441 8.474 1.00 0.00 N ATOM 714 NH2 ARG A 47 3.667 -4.648 6.393 1.00 0.00 N ATOM 0 H ARG A 47 -1.806 -2.299 4.231 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.921 -0.195 5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.563 -1.668 5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.441 -0.756 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.501 -2.350 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.961 -3.344 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.772 -2.476 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.024 -4.051 7.952 1.00 0.00 H new ATOM 0 HE ARG A 47 1.578 -3.550 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.950 -4.141 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.542 -4.884 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.622 -4.508 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.485 -5.091 6.811 1.00 0.00 H new ATOM 728 N TRP A 48 -0.116 0.553 3.313 1.00 0.00 N ATOM 729 CA TRP A 48 0.487 1.659 2.577 1.00 0.00 C ATOM 730 C TRP A 48 -0.579 2.640 2.101 1.00 0.00 C ATOM 731 O TRP A 48 -0.364 3.852 2.100 1.00 0.00 O ATOM 732 CB TRP A 48 1.282 1.130 1.382 1.00 0.00 C ATOM 733 CG TRP A 48 2.008 2.204 0.630 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.352 2.445 0.640 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.429 3.182 -0.241 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.644 3.515 -0.172 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.482 3.984 -0.724 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.125 3.457 -0.661 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.267 5.041 -1.605 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.086 4.507 -1.534 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.980 5.288 -1.999 1.00 0.00 C ATOM 0 H TRP A 48 -0.092 -0.342 2.824 1.00 0.00 H new ATOM 0 HA TRP A 48 1.164 2.185 3.250 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.003 0.391 1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.603 0.616 0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.079 1.878 1.203 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.575 3.898 -0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.703 2.860 -0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.087 5.645 -1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.090 4.729 -1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.782 6.101 -2.682 1.00 0.00 H new ATOM 752 N PHE A 49 -1.728 2.109 1.696 1.00 0.00 N ATOM 753 CA PHE A 49 -2.827 2.938 1.217 1.00 0.00 C ATOM 754 C PHE A 49 -3.371 3.821 2.337 1.00 0.00 C ATOM 755 O PHE A 49 -3.323 5.049 2.252 1.00 0.00 O ATOM 756 CB PHE A 49 -3.947 2.062 0.653 1.00 0.00 C ATOM 757 CG PHE A 49 -3.783 1.743 -0.805 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.995 2.715 -1.769 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.415 0.470 -1.212 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.845 2.423 -3.112 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.263 0.173 -2.553 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.477 1.151 -3.504 1.00 0.00 C ATOM 0 H PHE A 49 -1.922 1.108 1.690 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.445 3.581 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.988 1.131 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.902 2.567 0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.281 3.712 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.245 -0.299 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.015 3.189 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.977 -0.823 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.357 0.922 -4.552 1.00 0.00 H new ATOM 772 N ARG A 50 -3.887 3.187 3.384 1.00 0.00 N ATOM 773 CA ARG A 50 -4.442 3.913 4.520 1.00 0.00 C ATOM 774 C ARG A 50 -3.477 4.994 4.997 1.00 0.00 C ATOM 775 O ARG A 50 -3.896 6.070 5.424 1.00 0.00 O ATOM 776 CB ARG A 50 -4.753 2.950 5.666 1.00 0.00 C ATOM 777 CG ARG A 50 -3.518 2.292 6.261 1.00 0.00 C ATOM 778 CD ARG A 50 -3.887 1.302 7.355 1.00 0.00 C ATOM 779 NE ARG A 50 -4.619 0.153 6.830 1.00 0.00 N ATOM 780 CZ ARG A 50 -5.265 -0.719 7.595 1.00 0.00 C ATOM 781 NH1 ARG A 50 -5.270 -0.574 8.913 1.00 0.00 N ATOM 782 NH2 ARG A 50 -5.909 -1.740 7.042 1.00 0.00 N ATOM 0 H ARG A 50 -3.932 2.172 3.470 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.366 4.392 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.280 3.492 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.429 2.175 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.964 1.778 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.857 3.057 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.981 0.958 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.493 1.804 8.109 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.635 0.012 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.777 0.209 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.767 -1.246 9.498 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.908 -1.855 6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.405 -2.409 7.631 1.00 0.00 H new ATOM 796 N GLN A 51 -2.183 4.700 4.923 1.00 0.00 N ATOM 797 CA GLN A 51 -1.159 5.647 5.349 1.00 0.00 C ATOM 798 C GLN A 51 -1.024 6.790 4.348 1.00 0.00 C ATOM 799 O GLN A 51 -0.906 7.953 4.732 1.00 0.00 O ATOM 800 CB GLN A 51 0.186 4.936 5.513 1.00 0.00 C ATOM 801 CG GLN A 51 0.205 3.926 6.649 1.00 0.00 C ATOM 802 CD GLN A 51 1.313 2.902 6.501 1.00 0.00 C ATOM 803 OE1 GLN A 51 1.818 2.671 5.402 1.00 0.00 O ATOM 804 NE2 GLN A 51 1.698 2.281 7.610 1.00 0.00 N ATOM 0 H GLN A 51 -1.819 3.814 4.572 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.462 6.063 6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.435 4.428 4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.963 5.681 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.326 4.452 7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.756 3.413 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.252 2.503 8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.440 1.582 7.572 1.00 0.00 H new ATOM 813 N ARG A 52 -1.041 6.450 3.063 1.00 0.00 N ATOM 814 CA ARG A 52 -0.919 7.448 2.007 1.00 0.00 C ATOM 815 C ARG A 52 -2.018 8.500 2.124 1.00 0.00 C ATOM 816 O ARG A 52 -1.766 9.695 1.966 1.00 0.00 O ATOM 817 CB ARG A 52 -0.983 6.778 0.634 1.00 0.00 C ATOM 818 CG ARG A 52 -0.583 7.696 -0.510 1.00 0.00 C ATOM 819 CD ARG A 52 0.918 7.939 -0.532 1.00 0.00 C ATOM 820 NE ARG A 52 1.305 9.049 0.335 1.00 0.00 N ATOM 821 CZ ARG A 52 2.567 9.374 0.593 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.558 8.679 0.053 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.839 10.398 1.392 1.00 0.00 N ATOM 0 H ARG A 52 -1.138 5.491 2.728 1.00 0.00 H new ATOM 0 HA ARG A 52 0.046 7.942 2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.330 5.905 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.997 6.417 0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.895 7.256 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.105 8.648 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.437 7.034 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.237 8.148 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 52 0.566 9.605 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.353 7.892 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.526 8.931 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.079 10.936 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.808 10.647 1.590 1.00 0.00 H new ATOM 837 N ARG A 53 -3.236 8.047 2.401 1.00 0.00 N ATOM 838 CA ARG A 53 -4.374 8.949 2.537 1.00 0.00 C ATOM 839 C ARG A 53 -4.139 9.955 3.660 1.00 0.00 C ATOM 840 O ARG A 53 -4.202 11.164 3.446 1.00 0.00 O ATOM 841 CB ARG A 53 -5.652 8.154 2.809 1.00 0.00 C ATOM 842 CG ARG A 53 -5.899 7.036 1.808 1.00 0.00 C ATOM 843 CD ARG A 53 -7.297 6.457 1.954 1.00 0.00 C ATOM 844 NE ARG A 53 -7.363 5.443 3.004 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.530 5.728 4.290 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.648 6.988 4.684 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.580 4.750 5.186 1.00 0.00 N ATOM 0 H ARG A 53 -3.461 7.061 2.536 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.487 9.496 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.598 7.728 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.503 8.835 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.766 7.417 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.160 6.247 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.000 7.259 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.608 6.018 1.006 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.276 4.463 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.611 7.742 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.776 7.203 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.490 3.779 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.708 4.969 6.174 1.00 0.00 H new ATOM 861 N ASN A 54 -3.869 9.445 4.857 1.00 0.00 N ATOM 862 CA ASN A 54 -3.626 10.299 6.014 1.00 0.00 C ATOM 863 C ASN A 54 -2.807 11.525 5.623 1.00 0.00 C ATOM 864 O ASN A 54 -3.168 12.655 5.951 1.00 0.00 O ATOM 865 CB ASN A 54 -2.900 9.515 7.109 1.00 0.00 C ATOM 866 CG ASN A 54 -2.898 10.245 8.438 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.782 11.056 8.716 1.00 0.00 O ATOM 868 ND2 ASN A 54 -1.900 9.960 9.268 1.00 0.00 N ATOM 0 H ASN A 54 -3.813 8.445 5.051 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.590 10.635 6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.377 8.542 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.872 9.329 6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.845 10.420 10.177 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.189 9.281 8.996 1.00 0.00 H new ATOM 875 N GLN A 55 -1.703 11.293 4.920 1.00 0.00 N ATOM 876 CA GLN A 55 -0.833 12.378 4.484 1.00 0.00 C ATOM 877 C GLN A 55 -1.624 13.438 3.724 1.00 0.00 C ATOM 878 O GLN A 55 -1.415 14.636 3.914 1.00 0.00 O ATOM 879 CB GLN A 55 0.293 11.835 3.603 1.00 0.00 C ATOM 880 CG GLN A 55 1.133 10.765 4.280 1.00 0.00 C ATOM 881 CD GLN A 55 2.275 11.345 5.092 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.091 11.756 6.237 1.00 0.00 O ATOM 883 NE2 GLN A 55 3.463 11.381 4.500 1.00 0.00 N ATOM 0 H GLN A 55 -1.390 10.363 4.640 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.399 12.841 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.138 11.423 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.941 12.660 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.496 10.167 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.536 10.092 3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.570 11.029 3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.269 11.761 4.997 1.00 0.00 H new ATOM 892 N GLU A 56 -2.532 12.988 2.864 1.00 0.00 N ATOM 893 CA GLU A 56 -3.352 13.899 2.075 1.00 0.00 C ATOM 894 C GLU A 56 -4.729 14.078 2.708 1.00 0.00 C ATOM 895 O GLU A 56 -4.996 13.568 3.796 1.00 0.00 O ATOM 896 CB GLU A 56 -3.501 13.378 0.644 1.00 0.00 C ATOM 897 CG GLU A 56 -2.206 12.846 0.053 1.00 0.00 C ATOM 898 CD GLU A 56 -1.201 13.945 -0.234 1.00 0.00 C ATOM 899 OE1 GLU A 56 -0.847 14.686 0.707 1.00 0.00 O ATOM 900 OE2 GLU A 56 -0.767 14.062 -1.399 1.00 0.00 O ATOM 0 H GLU A 56 -2.718 11.999 2.696 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.853 14.868 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.249 12.586 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.877 14.182 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.765 12.126 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.426 12.309 -0.870 1.00 0.00 H new ATOM 907 N LYS A 57 -5.601 14.807 2.019 1.00 0.00 N ATOM 908 CA LYS A 57 -6.951 15.054 2.511 1.00 0.00 C ATOM 909 C LYS A 57 -7.648 13.745 2.868 1.00 0.00 C ATOM 910 O LYS A 57 -7.515 12.735 2.177 1.00 0.00 O ATOM 911 CB LYS A 57 -7.768 15.809 1.460 1.00 0.00 C ATOM 912 CG LYS A 57 -8.835 16.713 2.054 1.00 0.00 C ATOM 913 CD LYS A 57 -9.328 17.734 1.042 1.00 0.00 C ATOM 914 CE LYS A 57 -10.489 17.192 0.224 1.00 0.00 C ATOM 915 NZ LYS A 57 -10.075 16.053 -0.642 1.00 0.00 N ATOM 0 H LYS A 57 -5.396 15.237 1.117 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.877 15.663 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.093 16.409 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.243 15.088 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.673 16.109 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.432 17.229 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.639 18.641 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.511 18.012 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.285 16.868 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.899 17.989 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.653 16.046 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.072 16.157 -0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.210 15.159 -0.128 1.00 0.00 H new ATOM 929 N PRO A 58 -8.410 13.761 3.972 1.00 0.00 N ATOM 930 CA PRO A 58 -9.144 12.584 4.444 1.00 0.00 C ATOM 931 C PRO A 58 -10.307 12.221 3.528 1.00 0.00 C ATOM 932 O PRO A 58 -10.466 12.797 2.452 1.00 0.00 O ATOM 933 CB PRO A 58 -9.661 13.016 5.818 1.00 0.00 C ATOM 934 CG PRO A 58 -9.738 14.502 5.744 1.00 0.00 C ATOM 935 CD PRO A 58 -8.613 14.931 4.843 1.00 0.00 C ATOM 0 HA PRO A 58 -8.514 11.695 4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.637 12.579 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.989 12.694 6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.701 14.823 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.637 14.948 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.875 15.819 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.713 15.171 5.410 1.00 0.00 H new ATOM 943 N SER A 59 -11.119 11.261 3.961 1.00 0.00 N ATOM 944 CA SER A 59 -12.266 10.818 3.178 1.00 0.00 C ATOM 945 C SER A 59 -13.534 10.813 4.027 1.00 0.00 C ATOM 946 O SER A 59 -13.792 9.869 4.772 1.00 0.00 O ATOM 947 CB SER A 59 -12.014 9.421 2.609 1.00 0.00 C ATOM 948 OG SER A 59 -11.711 8.498 3.640 1.00 0.00 O ATOM 0 H SER A 59 -11.003 10.775 4.850 1.00 0.00 H new ATOM 0 HA SER A 59 -12.404 11.518 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.894 9.084 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.190 9.458 1.896 1.00 0.00 H new ATOM 0 HG SER A 59 -12.357 8.599 4.370 1.00 0.00 H new ATOM 954 N GLY A 60 -14.323 11.877 3.908 1.00 0.00 N ATOM 955 CA GLY A 60 -15.554 11.976 4.669 1.00 0.00 C ATOM 956 C GLY A 60 -16.166 13.361 4.606 1.00 0.00 C ATOM 957 O GLY A 60 -15.897 14.141 3.691 1.00 0.00 O ATOM 0 H GLY A 60 -14.131 12.672 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.271 11.248 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.356 11.717 5.709 1.00 0.00 H new ATOM 961 N PRO A 61 -17.011 13.686 5.596 1.00 0.00 N ATOM 962 CA PRO A 61 -17.680 14.988 5.670 1.00 0.00 C ATOM 963 C PRO A 61 -16.711 16.120 5.994 1.00 0.00 C ATOM 964 O PRO A 61 -16.988 17.286 5.713 1.00 0.00 O ATOM 965 CB PRO A 61 -18.687 14.804 6.808 1.00 0.00 C ATOM 966 CG PRO A 61 -18.107 13.726 7.658 1.00 0.00 C ATOM 967 CD PRO A 61 -17.377 12.806 6.718 1.00 0.00 C ATOM 0 HA PRO A 61 -18.135 15.267 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -18.818 15.727 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.668 14.522 6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.429 14.140 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -18.889 13.192 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.497 12.367 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.009 11.980 6.392 1.00 0.00 H new ATOM 975 N SER A 62 -15.575 15.769 6.588 1.00 0.00 N ATOM 976 CA SER A 62 -14.566 16.756 6.953 1.00 0.00 C ATOM 977 C SER A 62 -14.345 17.752 5.819 1.00 0.00 C ATOM 978 O SER A 62 -14.333 17.381 4.645 1.00 0.00 O ATOM 979 CB SER A 62 -13.248 16.064 7.303 1.00 0.00 C ATOM 980 OG SER A 62 -13.303 15.485 8.596 1.00 0.00 O ATOM 0 H SER A 62 -15.330 14.808 6.827 1.00 0.00 H new ATOM 0 HA SER A 62 -14.925 17.300 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.032 15.292 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.432 16.785 7.259 1.00 0.00 H new ATOM 0 HG SER A 62 -12.449 15.047 8.795 1.00 0.00 H new ATOM 986 N SER A 63 -14.171 19.020 6.178 1.00 0.00 N ATOM 987 CA SER A 63 -13.954 20.071 5.191 1.00 0.00 C ATOM 988 C SER A 63 -13.005 19.599 4.094 1.00 0.00 C ATOM 989 O SER A 63 -12.001 18.942 4.367 1.00 0.00 O ATOM 990 CB SER A 63 -13.391 21.324 5.865 1.00 0.00 C ATOM 991 OG SER A 63 -12.132 21.060 6.461 1.00 0.00 O ATOM 0 H SER A 63 -14.176 19.344 7.145 1.00 0.00 H new ATOM 0 HA SER A 63 -14.915 20.312 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.289 22.122 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.089 21.678 6.624 1.00 0.00 H new ATOM 0 HG SER A 63 -11.792 21.876 6.884 1.00 0.00 H new ATOM 997 N GLY A 64 -13.330 19.941 2.851 1.00 0.00 N ATOM 998 CA GLY A 64 -12.497 19.545 1.731 1.00 0.00 C ATOM 999 C GLY A 64 -12.280 20.673 0.742 1.00 0.00 C ATOM 1000 O GLY A 64 -13.181 21.019 -0.022 1.00 0.00 O ATOM 0 H GLY A 64 -14.155 20.485 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.532 19.202 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.959 18.701 1.219 1.00 0.00 H new TER 1004 GLY A 64