USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 56 MET CE :methyl -150:sc= -4.63! (180deg=-1.49!) USER MOD Set 1.2: A 85 GLN : amide:sc= -2.54 K(o=-7.2,f=-3.9) USER MOD Set 2.1: A 35 SER OG : rot -120:sc= -0.288 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -2.6! C(o=-2.9!,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0345 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 3:sc= 0.612! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -3.77! C(o=-3.8!,f=-3.9!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00622 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.257 K(o=-0.26,f=0.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.158 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.884 K(o=-0.88,f=-5.5!) USER MOD Single : A 48 ASN : amide:sc= -0.403 K(o=-0.4,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.551) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.15) USER MOD Single : A 64 THR OG1 : rot 171:sc= 0.169 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 89 MET CE :methyl -167:sc= -2.78 (180deg=-3.26) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.64! X(o=-1.6!,f=-1.3) USER MOD Single : A 97 SER OG : rot 89:sc= 1.24 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 66:sc= 0.0454 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.906 34.411 -45.113 1.00 0.00 N ATOM 2 CA GLY A 1 25.092 33.773 -46.132 1.00 0.00 C ATOM 3 C GLY A 1 23.799 34.520 -46.393 1.00 0.00 C ATOM 4 O GLY A 1 23.700 35.717 -46.123 1.00 0.00 O ATOM 0 H1 GLY A 1 26.875 34.536 -45.471 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.501 35.339 -44.876 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.926 33.815 -44.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.662 33.705 -47.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.863 32.753 -45.824 1.00 0.00 H new ATOM 8 N SER A 2 22.806 33.814 -46.923 1.00 0.00 N ATOM 9 CA SER A 2 21.515 34.418 -47.226 1.00 0.00 C ATOM 10 C SER A 2 20.422 33.356 -47.305 1.00 0.00 C ATOM 11 O SER A 2 20.659 32.239 -47.764 1.00 0.00 O ATOM 12 CB SER A 2 21.586 35.191 -48.545 1.00 0.00 C ATOM 13 OG SER A 2 20.377 35.886 -48.795 1.00 0.00 O ATOM 0 H SER A 2 22.871 32.822 -47.152 1.00 0.00 H new ATOM 0 HA SER A 2 21.268 35.109 -46.420 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.415 35.898 -48.512 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.788 34.501 -49.364 1.00 0.00 H new ATOM 0 HG SER A 2 20.449 36.373 -49.642 1.00 0.00 H new ATOM 19 N SER A 3 19.225 33.714 -46.852 1.00 0.00 N ATOM 20 CA SER A 3 18.095 32.790 -46.867 1.00 0.00 C ATOM 21 C SER A 3 16.807 33.502 -46.466 1.00 0.00 C ATOM 22 O SER A 3 16.801 34.336 -45.560 1.00 0.00 O ATOM 23 CB SER A 3 18.358 31.615 -45.923 1.00 0.00 C ATOM 24 OG SER A 3 17.626 30.469 -46.321 1.00 0.00 O ATOM 0 H SER A 3 19.012 34.636 -46.470 1.00 0.00 H new ATOM 0 HA SER A 3 17.979 32.411 -47.883 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.423 31.384 -45.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.081 31.892 -44.906 1.00 0.00 H new ATOM 0 HG SER A 3 17.812 29.731 -45.703 1.00 0.00 H new ATOM 30 N GLY A 4 15.715 33.167 -47.147 1.00 0.00 N ATOM 31 CA GLY A 4 14.436 33.782 -46.849 1.00 0.00 C ATOM 32 C GLY A 4 13.552 32.896 -45.993 1.00 0.00 C ATOM 33 O GLY A 4 13.869 31.730 -45.761 1.00 0.00 O ATOM 0 H GLY A 4 15.694 32.480 -47.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.603 34.729 -46.335 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.921 34.012 -47.782 1.00 0.00 H new ATOM 37 N SER A 5 12.440 33.451 -45.521 1.00 0.00 N ATOM 38 CA SER A 5 11.511 32.705 -44.682 1.00 0.00 C ATOM 39 C SER A 5 10.216 33.487 -44.477 1.00 0.00 C ATOM 40 O SER A 5 10.213 34.717 -44.489 1.00 0.00 O ATOM 41 CB SER A 5 12.150 32.392 -43.328 1.00 0.00 C ATOM 42 OG SER A 5 11.608 31.209 -42.768 1.00 0.00 O ATOM 0 H SER A 5 12.161 34.415 -45.706 1.00 0.00 H new ATOM 0 HA SER A 5 11.275 31.769 -45.189 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.228 32.280 -43.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.990 33.227 -42.646 1.00 0.00 H new ATOM 0 HG SER A 5 12.035 31.031 -41.904 1.00 0.00 H new ATOM 48 N SER A 6 9.117 32.761 -44.290 1.00 0.00 N ATOM 49 CA SER A 6 7.815 33.386 -44.086 1.00 0.00 C ATOM 50 C SER A 6 6.886 32.461 -43.307 1.00 0.00 C ATOM 51 O SER A 6 6.623 31.333 -43.721 1.00 0.00 O ATOM 52 CB SER A 6 7.183 33.747 -45.432 1.00 0.00 C ATOM 53 OG SER A 6 6.589 32.611 -46.037 1.00 0.00 O ATOM 0 H SER A 6 9.103 31.741 -44.276 1.00 0.00 H new ATOM 0 HA SER A 6 7.963 34.297 -43.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.430 34.522 -45.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.943 34.161 -46.095 1.00 0.00 H new ATOM 0 HG SER A 6 6.671 31.840 -45.437 1.00 0.00 H new ATOM 59 N GLY A 7 6.391 32.949 -42.173 1.00 0.00 N ATOM 60 CA GLY A 7 5.495 32.154 -41.352 1.00 0.00 C ATOM 61 C GLY A 7 4.869 32.959 -40.231 1.00 0.00 C ATOM 62 O GLY A 7 5.382 34.011 -39.853 1.00 0.00 O ATOM 0 H GLY A 7 6.594 33.880 -41.808 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.707 31.736 -41.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.045 31.313 -40.928 1.00 0.00 H new ATOM 66 N GLU A 8 3.755 32.464 -39.701 1.00 0.00 N ATOM 67 CA GLU A 8 3.057 33.147 -38.618 1.00 0.00 C ATOM 68 C GLU A 8 3.064 32.302 -37.347 1.00 0.00 C ATOM 69 O GLU A 8 2.094 31.619 -37.020 1.00 0.00 O ATOM 70 CB GLU A 8 1.616 33.459 -39.027 1.00 0.00 C ATOM 71 CG GLU A 8 1.477 34.732 -39.843 1.00 0.00 C ATOM 72 CD GLU A 8 1.605 34.486 -41.334 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.164 33.416 -41.800 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.147 35.367 -42.035 1.00 0.00 O ATOM 0 H GLU A 8 3.317 31.594 -40.003 1.00 0.00 H new ATOM 0 HA GLU A 8 3.581 34.081 -38.416 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.222 32.623 -39.604 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.003 33.544 -38.130 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.509 35.188 -39.636 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.239 35.445 -39.529 1.00 0.00 H new ATOM 81 N PRO A 9 4.186 32.349 -36.613 1.00 0.00 N ATOM 82 CA PRO A 9 4.348 31.595 -35.367 1.00 0.00 C ATOM 83 C PRO A 9 3.473 32.137 -34.242 1.00 0.00 C ATOM 84 O PRO A 9 2.711 33.083 -34.439 1.00 0.00 O ATOM 85 CB PRO A 9 5.829 31.782 -35.029 1.00 0.00 C ATOM 86 CG PRO A 9 6.210 33.061 -35.690 1.00 0.00 C ATOM 87 CD PRO A 9 5.382 33.142 -36.943 1.00 0.00 C ATOM 0 HA PRO A 9 4.050 30.553 -35.481 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.986 31.831 -33.951 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.428 30.951 -35.401 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.014 33.911 -35.037 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.274 33.078 -35.924 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.126 34.172 -37.189 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.912 32.731 -37.802 1.00 0.00 H new ATOM 95 N GLU A 10 3.588 31.532 -33.063 1.00 0.00 N ATOM 96 CA GLU A 10 2.806 31.956 -31.909 1.00 0.00 C ATOM 97 C GLU A 10 3.717 32.325 -30.741 1.00 0.00 C ATOM 98 O GLU A 10 4.363 31.463 -30.146 1.00 0.00 O ATOM 99 CB GLU A 10 1.839 30.849 -31.485 1.00 0.00 C ATOM 100 CG GLU A 10 2.527 29.538 -31.142 1.00 0.00 C ATOM 101 CD GLU A 10 1.560 28.372 -31.073 1.00 0.00 C ATOM 102 OE1 GLU A 10 1.202 27.835 -32.142 1.00 0.00 O ATOM 103 OE2 GLU A 10 1.161 27.997 -29.950 1.00 0.00 O ATOM 0 H GLU A 10 4.215 30.748 -32.883 1.00 0.00 H new ATOM 0 HA GLU A 10 2.234 32.838 -32.195 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.269 31.188 -30.620 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.124 30.675 -32.289 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.292 29.327 -31.889 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.037 29.639 -30.184 1.00 0.00 H new ATOM 110 N LYS A 11 3.763 33.614 -30.418 1.00 0.00 N ATOM 111 CA LYS A 11 4.593 34.098 -29.322 1.00 0.00 C ATOM 112 C LYS A 11 3.748 34.826 -28.281 1.00 0.00 C ATOM 113 O LYS A 11 2.974 35.725 -28.613 1.00 0.00 O ATOM 114 CB LYS A 11 5.681 35.033 -29.854 1.00 0.00 C ATOM 115 CG LYS A 11 6.719 35.413 -28.812 1.00 0.00 C ATOM 116 CD LYS A 11 7.598 34.228 -28.443 1.00 0.00 C ATOM 117 CE LYS A 11 8.555 33.872 -29.568 1.00 0.00 C ATOM 118 NZ LYS A 11 9.652 32.980 -29.101 1.00 0.00 N ATOM 0 H LYS A 11 3.235 34.341 -30.900 1.00 0.00 H new ATOM 0 HA LYS A 11 5.062 33.237 -28.847 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.181 34.553 -30.695 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.213 35.940 -30.237 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.340 36.223 -29.194 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.219 35.789 -27.919 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.165 34.461 -27.542 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.971 33.367 -28.211 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.005 33.381 -30.371 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.981 34.785 -29.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.283 32.760 -29.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.193 33.458 -28.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.247 32.098 -28.727 1.00 0.00 H new ATOM 132 N LEU A 12 3.902 34.433 -27.021 1.00 0.00 N ATOM 133 CA LEU A 12 3.154 35.050 -25.930 1.00 0.00 C ATOM 134 C LEU A 12 1.653 34.855 -26.122 1.00 0.00 C ATOM 135 O LEU A 12 0.866 35.775 -25.905 1.00 0.00 O ATOM 136 CB LEU A 12 3.480 36.542 -25.842 1.00 0.00 C ATOM 137 CG LEU A 12 4.690 36.916 -24.986 1.00 0.00 C ATOM 138 CD1 LEU A 12 5.130 38.342 -25.278 1.00 0.00 C ATOM 139 CD2 LEU A 12 4.371 36.746 -23.508 1.00 0.00 C ATOM 0 H LEU A 12 4.538 33.690 -26.729 1.00 0.00 H new ATOM 0 HA LEU A 12 3.449 34.565 -24.999 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.645 36.917 -26.852 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.607 37.061 -25.447 1.00 0.00 H new ATOM 0 HG LEU A 12 5.511 36.245 -25.239 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.992 38.591 -24.659 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.400 38.431 -26.330 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.313 39.028 -25.054 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.244 37.017 -22.914 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.535 37.392 -23.240 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.105 35.708 -23.310 1.00 0.00 H new ATOM 151 N GLY A 13 1.265 33.650 -26.527 1.00 0.00 N ATOM 152 CA GLY A 13 -0.140 33.356 -26.737 1.00 0.00 C ATOM 153 C GLY A 13 -0.438 31.870 -26.677 1.00 0.00 C ATOM 154 O GLY A 13 -0.754 31.253 -27.693 1.00 0.00 O ATOM 0 H GLY A 13 1.898 32.872 -26.713 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.733 33.873 -25.982 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.448 33.746 -27.707 1.00 0.00 H new ATOM 158 N GLN A 14 -0.333 31.296 -25.483 1.00 0.00 N ATOM 159 CA GLN A 14 -0.589 29.872 -25.296 1.00 0.00 C ATOM 160 C GLN A 14 -1.829 29.653 -24.433 1.00 0.00 C ATOM 161 O GLN A 14 -2.291 30.566 -23.751 1.00 0.00 O ATOM 162 CB GLN A 14 0.621 29.194 -24.652 1.00 0.00 C ATOM 163 CG GLN A 14 0.765 27.727 -25.024 1.00 0.00 C ATOM 164 CD GLN A 14 2.186 27.223 -24.868 1.00 0.00 C ATOM 165 OE1 GLN A 14 2.891 27.597 -23.930 1.00 0.00 O ATOM 166 NE2 GLN A 14 2.615 26.368 -25.788 1.00 0.00 N ATOM 0 H GLN A 14 -0.073 31.794 -24.632 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.765 29.428 -26.276 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.525 29.726 -24.948 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.541 29.279 -23.568 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.101 27.130 -24.398 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.444 27.584 -26.056 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.997 26.085 -26.549 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.562 25.994 -25.734 1.00 0.00 H new ATOM 175 N ALA A 15 -2.360 28.435 -24.470 1.00 0.00 N ATOM 176 CA ALA A 15 -3.544 28.095 -23.691 1.00 0.00 C ATOM 177 C ALA A 15 -3.195 27.147 -22.548 1.00 0.00 C ATOM 178 O ALA A 15 -3.945 26.217 -22.248 1.00 0.00 O ATOM 179 CB ALA A 15 -4.606 27.475 -24.587 1.00 0.00 C ATOM 0 H ALA A 15 -1.989 27.668 -25.031 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.940 29.014 -23.259 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.484 27.226 -23.992 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.885 28.185 -25.366 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.211 26.569 -25.047 1.00 0.00 H new ATOM 185 N LEU A 16 -2.054 27.389 -21.912 1.00 0.00 N ATOM 186 CA LEU A 16 -1.605 26.557 -20.802 1.00 0.00 C ATOM 187 C LEU A 16 -1.399 27.393 -19.543 1.00 0.00 C ATOM 188 O LEU A 16 -0.316 27.931 -19.311 1.00 0.00 O ATOM 189 CB LEU A 16 -0.305 25.839 -21.169 1.00 0.00 C ATOM 190 CG LEU A 16 -0.343 24.992 -22.442 1.00 0.00 C ATOM 191 CD1 LEU A 16 1.042 24.900 -23.063 1.00 0.00 C ATOM 192 CD2 LEU A 16 -0.889 23.604 -22.143 1.00 0.00 C ATOM 0 H LEU A 16 -1.423 28.155 -22.146 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.378 25.815 -20.601 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.481 26.586 -21.277 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.021 25.195 -20.336 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.008 25.475 -23.158 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.996 24.294 -23.968 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.395 25.900 -23.314 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.729 24.440 -22.353 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.909 23.015 -23.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.250 23.112 -21.410 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.900 23.689 -21.744 1.00 0.00 H new ATOM 204 N THR A 17 -2.446 27.497 -18.730 1.00 0.00 N ATOM 205 CA THR A 17 -2.380 28.267 -17.494 1.00 0.00 C ATOM 206 C THR A 17 -1.173 27.859 -16.656 1.00 0.00 C ATOM 207 O THR A 17 -0.601 26.788 -16.856 1.00 0.00 O ATOM 208 CB THR A 17 -3.658 28.089 -16.653 1.00 0.00 C ATOM 209 OG1 THR A 17 -4.815 28.221 -17.485 1.00 0.00 O ATOM 210 CG2 THR A 17 -3.714 29.115 -15.531 1.00 0.00 C ATOM 0 H THR A 17 -3.350 27.058 -18.905 1.00 0.00 H new ATOM 0 HA THR A 17 -2.284 29.315 -17.779 1.00 0.00 H new ATOM 0 HB THR A 17 -3.641 27.092 -16.212 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.623 28.105 -16.943 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.625 28.970 -14.951 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.847 28.992 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.710 30.119 -15.955 1.00 0.00 H new ATOM 218 N GLU A 18 -0.791 28.721 -15.719 1.00 0.00 N ATOM 219 CA GLU A 18 0.349 28.449 -14.851 1.00 0.00 C ATOM 220 C GLU A 18 -0.014 28.682 -13.388 1.00 0.00 C ATOM 221 O GLU A 18 0.031 29.811 -12.897 1.00 0.00 O ATOM 222 CB GLU A 18 1.536 29.332 -15.241 1.00 0.00 C ATOM 223 CG GLU A 18 1.235 30.820 -15.178 1.00 0.00 C ATOM 224 CD GLU A 18 2.165 31.641 -16.050 1.00 0.00 C ATOM 225 OE1 GLU A 18 3.379 31.351 -16.062 1.00 0.00 O ATOM 226 OE2 GLU A 18 1.677 32.574 -16.722 1.00 0.00 O ATOM 0 H GLU A 18 -1.254 29.613 -15.542 1.00 0.00 H new ATOM 0 HA GLU A 18 0.627 27.403 -14.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.375 29.111 -14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.851 29.076 -16.253 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.205 30.992 -15.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.317 31.160 -14.146 1.00 0.00 H new ATOM 233 N VAL A 19 -0.373 27.607 -12.694 1.00 0.00 N ATOM 234 CA VAL A 19 -0.743 27.692 -11.286 1.00 0.00 C ATOM 235 C VAL A 19 0.487 27.881 -10.406 1.00 0.00 C ATOM 236 O VAL A 19 1.618 27.683 -10.850 1.00 0.00 O ATOM 237 CB VAL A 19 -1.500 26.432 -10.828 1.00 0.00 C ATOM 238 CG1 VAL A 19 -2.812 26.291 -11.584 1.00 0.00 C ATOM 239 CG2 VAL A 19 -0.635 25.195 -11.011 1.00 0.00 C ATOM 0 H VAL A 19 -0.416 26.666 -13.084 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.397 28.557 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.729 26.534 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.332 25.395 -11.246 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.436 27.165 -11.396 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.610 26.212 -12.652 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.186 24.314 -10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.372 25.087 -12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.274 25.296 -10.419 1.00 0.00 H new ATOM 249 N TYR A 20 0.258 28.267 -9.155 1.00 0.00 N ATOM 250 CA TYR A 20 1.348 28.486 -8.211 1.00 0.00 C ATOM 251 C TYR A 20 1.079 27.766 -6.893 1.00 0.00 C ATOM 252 O TYR A 20 0.044 27.972 -6.260 1.00 0.00 O ATOM 253 CB TYR A 20 1.538 29.982 -7.959 1.00 0.00 C ATOM 254 CG TYR A 20 0.329 30.653 -7.349 1.00 0.00 C ATOM 255 CD1 TYR A 20 -0.739 31.057 -8.140 1.00 0.00 C ATOM 256 CD2 TYR A 20 0.254 30.881 -5.980 1.00 0.00 C ATOM 257 CE1 TYR A 20 -1.846 31.670 -7.587 1.00 0.00 C ATOM 258 CE2 TYR A 20 -0.850 31.493 -5.418 1.00 0.00 C ATOM 259 CZ TYR A 20 -1.897 31.886 -6.226 1.00 0.00 C ATOM 260 OH TYR A 20 -2.999 32.497 -5.670 1.00 0.00 O ATOM 0 H TYR A 20 -0.672 28.435 -8.772 1.00 0.00 H new ATOM 0 HA TYR A 20 2.261 28.079 -8.646 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.394 30.125 -7.299 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.778 30.473 -8.902 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.703 30.889 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.072 30.575 -5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.667 31.979 -8.217 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.893 31.663 -4.352 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.877 32.573 -4.701 1.00 0.00 H new ATOM 270 N ALA A 21 2.020 26.921 -6.486 1.00 0.00 N ATOM 271 CA ALA A 21 1.889 26.173 -5.242 1.00 0.00 C ATOM 272 C ALA A 21 2.815 26.727 -4.166 1.00 0.00 C ATOM 273 O ALA A 21 4.033 26.774 -4.345 1.00 0.00 O ATOM 274 CB ALA A 21 2.176 24.697 -5.481 1.00 0.00 C ATOM 0 H ALA A 21 2.882 26.737 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 21 0.863 26.280 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.075 24.150 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.468 24.302 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.191 24.581 -5.861 1.00 0.00 H new ATOM 280 N LYS A 22 2.233 27.148 -3.048 1.00 0.00 N ATOM 281 CA LYS A 22 3.007 27.699 -1.942 1.00 0.00 C ATOM 282 C LYS A 22 4.057 26.702 -1.463 1.00 0.00 C ATOM 283 O LYS A 22 5.257 26.962 -1.547 1.00 0.00 O ATOM 284 CB LYS A 22 2.081 28.077 -0.785 1.00 0.00 C ATOM 285 CG LYS A 22 1.408 29.427 -0.960 1.00 0.00 C ATOM 286 CD LYS A 22 1.082 30.067 0.380 1.00 0.00 C ATOM 287 CE LYS A 22 -0.302 29.667 0.867 1.00 0.00 C ATOM 288 NZ LYS A 22 -0.810 30.592 1.916 1.00 0.00 N ATOM 0 H LYS A 22 1.227 27.118 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 22 3.518 28.594 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.314 27.309 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.655 28.084 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.060 30.088 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.492 29.306 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.828 29.770 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.137 31.152 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.994 29.658 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.268 28.652 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.756 30.285 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.163 30.582 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.867 31.556 1.531 1.00 0.00 H new ATOM 302 N ALA A 23 3.597 25.561 -0.961 1.00 0.00 N ATOM 303 CA ALA A 23 4.498 24.524 -0.471 1.00 0.00 C ATOM 304 C ALA A 23 3.726 23.274 -0.065 1.00 0.00 C ATOM 305 O ALA A 23 2.506 23.311 0.099 1.00 0.00 O ATOM 306 CB ALA A 23 5.316 25.046 0.700 1.00 0.00 C ATOM 0 H ALA A 23 2.606 25.331 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 23 5.176 24.253 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.984 24.262 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.904 25.905 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.647 25.346 1.506 1.00 0.00 H new ATOM 312 N ASN A 24 4.443 22.167 0.096 1.00 0.00 N ATOM 313 CA ASN A 24 3.824 20.904 0.483 1.00 0.00 C ATOM 314 C ASN A 24 3.225 20.998 1.883 1.00 0.00 C ATOM 315 O ASN A 24 3.502 21.940 2.625 1.00 0.00 O ATOM 316 CB ASN A 24 4.852 19.771 0.431 1.00 0.00 C ATOM 317 CG ASN A 24 5.241 19.409 -0.989 1.00 0.00 C ATOM 318 OD1 ASN A 24 6.420 19.419 -1.343 1.00 0.00 O ATOM 319 ND2 ASN A 24 4.249 19.085 -1.810 1.00 0.00 N ATOM 0 H ASN A 24 5.453 22.119 -0.035 1.00 0.00 H new ATOM 0 HA ASN A 24 3.021 20.690 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.743 20.067 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.445 18.891 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.450 18.831 -2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.286 19.090 -1.473 1.00 0.00 H new ATOM 326 N SER A 25 2.402 20.016 2.235 1.00 0.00 N ATOM 327 CA SER A 25 1.760 19.988 3.544 1.00 0.00 C ATOM 328 C SER A 25 1.828 18.592 4.154 1.00 0.00 C ATOM 329 O SER A 25 1.767 17.589 3.444 1.00 0.00 O ATOM 330 CB SER A 25 0.302 20.437 3.430 1.00 0.00 C ATOM 331 OG SER A 25 -0.465 19.495 2.701 1.00 0.00 O ATOM 0 H SER A 25 2.164 19.229 1.632 1.00 0.00 H new ATOM 0 HA SER A 25 2.295 20.677 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.122 20.563 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.255 21.408 2.938 1.00 0.00 H new ATOM 0 HG SER A 25 -1.393 19.804 2.643 1.00 0.00 H new ATOM 337 N PHE A 26 1.955 18.536 5.475 1.00 0.00 N ATOM 338 CA PHE A 26 2.032 17.262 6.183 1.00 0.00 C ATOM 339 C PHE A 26 0.747 16.461 6.002 1.00 0.00 C ATOM 340 O PHE A 26 -0.347 16.941 6.300 1.00 0.00 O ATOM 341 CB PHE A 26 2.294 17.498 7.672 1.00 0.00 C ATOM 342 CG PHE A 26 3.067 16.389 8.327 1.00 0.00 C ATOM 343 CD1 PHE A 26 4.234 15.909 7.756 1.00 0.00 C ATOM 344 CD2 PHE A 26 2.626 15.827 9.514 1.00 0.00 C ATOM 345 CE1 PHE A 26 4.947 14.888 8.356 1.00 0.00 C ATOM 346 CE2 PHE A 26 3.335 14.806 10.119 1.00 0.00 C ATOM 347 CZ PHE A 26 4.498 14.337 9.539 1.00 0.00 C ATOM 0 H PHE A 26 2.007 19.357 6.078 1.00 0.00 H new ATOM 0 HA PHE A 26 2.858 16.689 5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.842 18.433 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.340 17.619 8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.591 16.337 6.831 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.718 16.191 9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.855 14.522 7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.980 14.376 11.044 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.055 13.541 10.011 1.00 0.00 H new ATOM 357 N THR A 27 0.887 15.234 5.508 1.00 0.00 N ATOM 358 CA THR A 27 -0.261 14.365 5.283 1.00 0.00 C ATOM 359 C THR A 27 -0.030 12.982 5.883 1.00 0.00 C ATOM 360 O THR A 27 1.004 12.357 5.645 1.00 0.00 O ATOM 361 CB THR A 27 -0.568 14.216 3.782 1.00 0.00 C ATOM 362 OG1 THR A 27 -1.215 15.398 3.295 1.00 0.00 O ATOM 363 CG2 THR A 27 -1.456 13.006 3.528 1.00 0.00 C ATOM 0 H THR A 27 1.785 14.820 5.256 1.00 0.00 H new ATOM 0 HA THR A 27 -1.113 14.834 5.775 1.00 0.00 H new ATOM 0 HB THR A 27 0.375 14.073 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.925 15.147 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.659 12.922 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.950 12.104 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.395 13.124 4.068 1.00 0.00 H new ATOM 371 N VAL A 28 -0.998 12.510 6.661 1.00 0.00 N ATOM 372 CA VAL A 28 -0.900 11.200 7.294 1.00 0.00 C ATOM 373 C VAL A 28 -2.115 10.340 6.967 1.00 0.00 C ATOM 374 O VAL A 28 -3.220 10.602 7.443 1.00 0.00 O ATOM 375 CB VAL A 28 -0.768 11.324 8.823 1.00 0.00 C ATOM 376 CG1 VAL A 28 -0.617 9.950 9.459 1.00 0.00 C ATOM 377 CG2 VAL A 28 0.406 12.219 9.186 1.00 0.00 C ATOM 0 H VAL A 28 -1.860 13.015 6.868 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.004 10.723 6.898 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.678 11.781 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.525 10.057 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.493 9.344 9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.275 9.463 9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.484 12.295 10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.326 11.793 8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.251 13.212 8.763 1.00 0.00 H new ATOM 387 N SER A 29 -1.905 9.311 6.152 1.00 0.00 N ATOM 388 CA SER A 29 -2.984 8.414 5.758 1.00 0.00 C ATOM 389 C SER A 29 -2.556 6.956 5.896 1.00 0.00 C ATOM 390 O SER A 29 -1.370 6.656 6.039 1.00 0.00 O ATOM 391 CB SER A 29 -3.412 8.697 4.317 1.00 0.00 C ATOM 392 OG SER A 29 -4.442 9.669 4.273 1.00 0.00 O ATOM 0 H SER A 29 -0.996 9.078 5.752 1.00 0.00 H new ATOM 0 HA SER A 29 -3.830 8.591 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.554 9.045 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.757 7.775 3.849 1.00 0.00 H new ATOM 0 HG SER A 29 -4.697 9.834 3.341 1.00 0.00 H new ATOM 398 N SER A 30 -3.530 6.052 5.853 1.00 0.00 N ATOM 399 CA SER A 30 -3.256 4.626 5.977 1.00 0.00 C ATOM 400 C SER A 30 -3.731 3.872 4.739 1.00 0.00 C ATOM 401 O SER A 30 -4.621 4.331 4.022 1.00 0.00 O ATOM 402 CB SER A 30 -3.937 4.061 7.225 1.00 0.00 C ATOM 403 OG SER A 30 -5.342 4.235 7.161 1.00 0.00 O ATOM 0 H SER A 30 -4.516 6.283 5.733 1.00 0.00 H new ATOM 0 HA SER A 30 -2.178 4.495 6.069 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.703 3.001 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.546 4.557 8.113 1.00 0.00 H new ATOM 0 HG SER A 30 -5.755 3.864 7.969 1.00 0.00 H new ATOM 409 N VAL A 31 -3.131 2.712 4.494 1.00 0.00 N ATOM 410 CA VAL A 31 -3.492 1.892 3.342 1.00 0.00 C ATOM 411 C VAL A 31 -4.008 0.526 3.781 1.00 0.00 C ATOM 412 O VAL A 31 -3.308 -0.224 4.461 1.00 0.00 O ATOM 413 CB VAL A 31 -2.294 1.696 2.395 1.00 0.00 C ATOM 414 CG1 VAL A 31 -2.610 0.642 1.344 1.00 0.00 C ATOM 415 CG2 VAL A 31 -1.910 3.015 1.742 1.00 0.00 C ATOM 0 H VAL A 31 -2.393 2.318 5.077 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.282 2.422 2.811 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.444 1.346 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.752 0.517 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.831 -0.306 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.474 0.958 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.062 2.858 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.755 3.397 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.638 3.737 2.512 1.00 0.00 H new ATOM 425 N ALA A 32 -5.237 0.210 3.387 1.00 0.00 N ATOM 426 CA ALA A 32 -5.846 -1.068 3.738 1.00 0.00 C ATOM 427 C ALA A 32 -4.964 -2.233 3.304 1.00 0.00 C ATOM 428 O ALA A 32 -4.836 -2.518 2.115 1.00 0.00 O ATOM 429 CB ALA A 32 -7.226 -1.185 3.107 1.00 0.00 C ATOM 0 H ALA A 32 -5.830 0.820 2.825 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.949 -1.108 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.669 -2.143 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.861 -0.377 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.137 -1.119 2.023 1.00 0.00 H new ATOM 435 N ALA A 33 -4.358 -2.904 4.279 1.00 0.00 N ATOM 436 CA ALA A 33 -3.488 -4.040 3.998 1.00 0.00 C ATOM 437 C ALA A 33 -3.556 -5.072 5.119 1.00 0.00 C ATOM 438 O ALA A 33 -3.645 -4.737 6.300 1.00 0.00 O ATOM 439 CB ALA A 33 -2.056 -3.571 3.795 1.00 0.00 C ATOM 0 H ALA A 33 -4.454 -2.681 5.270 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.835 -4.515 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.418 -4.430 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.016 -2.877 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.706 -3.070 4.697 1.00 0.00 H new ATOM 445 N PRO A 34 -3.511 -6.359 4.742 1.00 0.00 N ATOM 446 CA PRO A 34 -3.565 -7.467 5.700 1.00 0.00 C ATOM 447 C PRO A 34 -2.298 -7.568 6.542 1.00 0.00 C ATOM 448 O PRO A 34 -1.348 -6.811 6.344 1.00 0.00 O ATOM 449 CB PRO A 34 -3.714 -8.702 4.808 1.00 0.00 C ATOM 450 CG PRO A 34 -3.118 -8.300 3.504 1.00 0.00 C ATOM 451 CD PRO A 34 -3.404 -6.832 3.352 1.00 0.00 C ATOM 0 HA PRO A 34 -4.375 -7.344 6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.195 -9.562 5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.761 -8.985 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.045 -8.492 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.555 -8.869 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.606 -6.321 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.325 -6.658 2.796 1.00 0.00 H new ATOM 459 N SER A 35 -2.290 -8.507 7.482 1.00 0.00 N ATOM 460 CA SER A 35 -1.140 -8.705 8.356 1.00 0.00 C ATOM 461 C SER A 35 -0.597 -10.126 8.228 1.00 0.00 C ATOM 462 O SER A 35 0.555 -10.394 8.566 1.00 0.00 O ATOM 463 CB SER A 35 -1.523 -8.423 9.810 1.00 0.00 C ATOM 464 OG SER A 35 -0.482 -8.799 10.694 1.00 0.00 O ATOM 0 H SER A 35 -3.068 -9.143 7.658 1.00 0.00 H new ATOM 0 HA SER A 35 -0.360 -8.008 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.743 -7.362 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.433 -8.968 10.062 1.00 0.00 H new ATOM 0 HG SER A 35 -0.812 -9.479 11.318 1.00 0.00 H new ATOM 470 N TRP A 36 -1.436 -11.030 7.737 1.00 0.00 N ATOM 471 CA TRP A 36 -1.042 -12.423 7.564 1.00 0.00 C ATOM 472 C TRP A 36 0.125 -12.542 6.590 1.00 0.00 C ATOM 473 O TRP A 36 0.780 -13.582 6.514 1.00 0.00 O ATOM 474 CB TRP A 36 -2.227 -13.252 7.062 1.00 0.00 C ATOM 475 CG TRP A 36 -2.740 -12.807 5.726 1.00 0.00 C ATOM 476 CD1 TRP A 36 -3.756 -11.927 5.490 1.00 0.00 C ATOM 477 CD2 TRP A 36 -2.261 -13.223 4.442 1.00 0.00 C ATOM 478 NE1 TRP A 36 -3.938 -11.771 4.136 1.00 0.00 N ATOM 479 CE2 TRP A 36 -3.033 -12.554 3.472 1.00 0.00 C ATOM 480 CE3 TRP A 36 -1.254 -14.094 4.019 1.00 0.00 C ATOM 481 CZ2 TRP A 36 -2.829 -12.733 2.107 1.00 0.00 C ATOM 482 CZ3 TRP A 36 -1.052 -14.269 2.663 1.00 0.00 C ATOM 483 CH2 TRP A 36 -1.836 -13.591 1.720 1.00 0.00 C ATOM 0 H TRP A 36 -2.393 -10.824 7.452 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.723 -12.807 8.533 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.928 -14.298 6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.035 -13.195 7.791 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.332 -11.427 6.254 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.635 -11.169 3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.645 -14.621 4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.433 -12.213 1.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.276 -14.940 2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.653 -13.749 0.667 1.00 0.00 H new ATOM 494 N LEU A 37 0.379 -11.471 5.846 1.00 0.00 N ATOM 495 CA LEU A 37 1.468 -11.455 4.876 1.00 0.00 C ATOM 496 C LEU A 37 2.535 -10.437 5.271 1.00 0.00 C ATOM 497 O LEU A 37 3.226 -9.882 4.415 1.00 0.00 O ATOM 498 CB LEU A 37 0.931 -11.131 3.480 1.00 0.00 C ATOM 499 CG LEU A 37 -0.061 -9.971 3.396 1.00 0.00 C ATOM 500 CD1 LEU A 37 0.673 -8.639 3.409 1.00 0.00 C ATOM 501 CD2 LEU A 37 -0.922 -10.096 2.147 1.00 0.00 C ATOM 0 H LEU A 37 -0.154 -10.603 5.896 1.00 0.00 H new ATOM 0 HA LEU A 37 1.923 -12.445 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.777 -10.907 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.450 -12.024 3.081 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.713 -10.011 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.049 -7.825 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.246 -8.548 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.349 -8.588 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.623 -9.262 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.285 -10.082 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.476 -11.034 2.179 1.00 0.00 H new ATOM 513 N HIS A 38 2.665 -10.199 6.572 1.00 0.00 N ATOM 514 CA HIS A 38 3.649 -9.251 7.081 1.00 0.00 C ATOM 515 C HIS A 38 5.067 -9.766 6.855 1.00 0.00 C ATOM 516 O HIS A 38 5.945 -9.023 6.414 1.00 0.00 O ATOM 517 CB HIS A 38 3.417 -8.993 8.570 1.00 0.00 C ATOM 518 CG HIS A 38 2.468 -7.867 8.843 1.00 0.00 C ATOM 519 ND1 HIS A 38 2.062 -7.518 10.113 1.00 0.00 N ATOM 520 CD2 HIS A 38 1.845 -7.011 8.001 1.00 0.00 C ATOM 521 CE1 HIS A 38 1.229 -6.495 10.040 1.00 0.00 C ATOM 522 NE2 HIS A 38 1.081 -6.167 8.769 1.00 0.00 N ATOM 0 H HIS A 38 2.101 -10.650 7.293 1.00 0.00 H new ATOM 0 HA HIS A 38 3.531 -8.314 6.536 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.032 -9.902 9.032 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.373 -8.775 9.046 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.932 -6.994 6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.750 -6.009 10.877 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.495 -5.411 8.416 1.00 0.00 H new ATOM 530 N ARG A 39 5.284 -11.041 7.162 1.00 0.00 N ATOM 531 CA ARG A 39 6.596 -11.654 6.994 1.00 0.00 C ATOM 532 C ARG A 39 7.050 -11.578 5.539 1.00 0.00 C ATOM 533 O ARG A 39 8.231 -11.755 5.237 1.00 0.00 O ATOM 534 CB ARG A 39 6.562 -13.113 7.454 1.00 0.00 C ATOM 535 CG ARG A 39 5.712 -14.011 6.570 1.00 0.00 C ATOM 536 CD ARG A 39 6.017 -15.481 6.810 1.00 0.00 C ATOM 537 NE ARG A 39 5.386 -16.341 5.814 1.00 0.00 N ATOM 538 CZ ARG A 39 4.111 -16.711 5.864 1.00 0.00 C ATOM 539 NH1 ARG A 39 3.336 -16.296 6.856 1.00 0.00 N ATOM 540 NH2 ARG A 39 3.609 -17.495 4.920 1.00 0.00 N ATOM 0 H ARG A 39 4.568 -11.669 7.528 1.00 0.00 H new ATOM 0 HA ARG A 39 7.309 -11.103 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.580 -13.501 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.180 -13.155 8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.657 -13.821 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.892 -13.768 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.096 -15.635 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.672 -15.765 7.804 1.00 0.00 H new ATOM 0 HE ARG A 39 5.955 -16.676 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.718 -15.691 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.357 -16.581 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.202 -17.815 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.630 -17.778 4.960 1.00 0.00 H new ATOM 554 N PHE A 40 6.105 -11.314 4.643 1.00 0.00 N ATOM 555 CA PHE A 40 6.408 -11.215 3.220 1.00 0.00 C ATOM 556 C PHE A 40 6.499 -9.757 2.783 1.00 0.00 C ATOM 557 O PHE A 40 7.397 -9.378 2.029 1.00 0.00 O ATOM 558 CB PHE A 40 5.339 -11.940 2.399 1.00 0.00 C ATOM 559 CG PHE A 40 5.603 -13.410 2.237 1.00 0.00 C ATOM 560 CD1 PHE A 40 6.837 -13.863 1.801 1.00 0.00 C ATOM 561 CD2 PHE A 40 4.615 -14.340 2.522 1.00 0.00 C ATOM 562 CE1 PHE A 40 7.081 -15.215 1.651 1.00 0.00 C ATOM 563 CE2 PHE A 40 4.853 -15.693 2.375 1.00 0.00 C ATOM 564 CZ PHE A 40 6.089 -16.131 1.940 1.00 0.00 C ATOM 0 H PHE A 40 5.123 -11.165 4.877 1.00 0.00 H new ATOM 0 HA PHE A 40 7.374 -11.688 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.370 -11.804 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.275 -11.480 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.618 -13.151 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.647 -14.003 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.047 -15.555 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.074 -16.407 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.279 -17.188 1.826 1.00 0.00 H new ATOM 574 N ILE A 41 5.563 -8.943 3.260 1.00 0.00 N ATOM 575 CA ILE A 41 5.537 -7.526 2.919 1.00 0.00 C ATOM 576 C ILE A 41 6.793 -6.818 3.415 1.00 0.00 C ATOM 577 O ILE A 41 7.245 -5.842 2.817 1.00 0.00 O ATOM 578 CB ILE A 41 4.300 -6.827 3.512 1.00 0.00 C ATOM 579 CG1 ILE A 41 3.934 -5.597 2.678 1.00 0.00 C ATOM 580 CG2 ILE A 41 4.556 -6.435 4.959 1.00 0.00 C ATOM 581 CD1 ILE A 41 2.506 -5.137 2.875 1.00 0.00 C ATOM 0 H ILE A 41 4.813 -9.241 3.884 1.00 0.00 H new ATOM 0 HA ILE A 41 5.493 -7.464 1.832 1.00 0.00 H new ATOM 0 HB ILE A 41 3.461 -7.523 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.609 -4.780 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.092 -5.823 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.672 -5.942 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.774 -7.328 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.405 -5.754 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.317 -4.262 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.823 -5.938 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.348 -4.879 3.922 1.00 0.00 H new ATOM 593 N ILE A 42 7.354 -7.319 4.512 1.00 0.00 N ATOM 594 CA ILE A 42 8.560 -6.736 5.086 1.00 0.00 C ATOM 595 C ILE A 42 9.813 -7.302 4.427 1.00 0.00 C ATOM 596 O ILE A 42 10.714 -6.559 4.041 1.00 0.00 O ATOM 597 CB ILE A 42 8.636 -6.984 6.604 1.00 0.00 C ATOM 598 CG1 ILE A 42 7.378 -6.453 7.295 1.00 0.00 C ATOM 599 CG2 ILE A 42 9.881 -6.331 7.186 1.00 0.00 C ATOM 600 CD1 ILE A 42 7.207 -6.954 8.711 1.00 0.00 C ATOM 0 H ILE A 42 6.992 -8.126 5.020 1.00 0.00 H new ATOM 0 HA ILE A 42 8.510 -5.663 4.902 1.00 0.00 H new ATOM 0 HB ILE A 42 8.697 -8.058 6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.412 -5.364 7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.504 -6.739 6.710 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.920 -6.515 8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.768 -6.752 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.848 -5.257 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.295 -6.536 9.137 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.140 -8.042 8.706 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.062 -6.645 9.312 1.00 0.00 H new ATOM 612 N GLY A 43 9.861 -8.625 4.298 1.00 0.00 N ATOM 613 CA GLY A 43 11.006 -9.269 3.683 1.00 0.00 C ATOM 614 C GLY A 43 11.788 -10.121 4.662 1.00 0.00 C ATOM 615 O GLY A 43 11.775 -9.866 5.868 1.00 0.00 O ATOM 0 H GLY A 43 9.127 -9.262 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.667 -9.891 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.664 -8.509 3.262 1.00 0.00 H new ATOM 619 N LYS A 44 12.470 -11.138 4.147 1.00 0.00 N ATOM 620 CA LYS A 44 13.262 -12.031 4.984 1.00 0.00 C ATOM 621 C LYS A 44 14.027 -11.248 6.046 1.00 0.00 C ATOM 622 O LYS A 44 14.035 -11.619 7.220 1.00 0.00 O ATOM 623 CB LYS A 44 14.241 -12.834 4.126 1.00 0.00 C ATOM 624 CG LYS A 44 14.864 -14.013 4.853 1.00 0.00 C ATOM 625 CD LYS A 44 16.201 -14.402 4.244 1.00 0.00 C ATOM 626 CE LYS A 44 16.607 -15.812 4.643 1.00 0.00 C ATOM 627 NZ LYS A 44 17.626 -16.379 3.718 1.00 0.00 N ATOM 0 H LYS A 44 12.490 -11.365 3.153 1.00 0.00 H new ATOM 0 HA LYS A 44 12.579 -12.717 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.720 -13.198 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.034 -12.172 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.002 -13.761 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.185 -14.865 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.141 -14.333 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.967 -13.697 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.004 -15.802 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.727 -16.455 4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.876 -17.341 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.239 -16.413 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.476 -15.780 3.729 1.00 0.00 H new ATOM 641 N LYS A 45 14.666 -10.161 5.629 1.00 0.00 N ATOM 642 CA LYS A 45 15.430 -9.322 6.543 1.00 0.00 C ATOM 643 C LYS A 45 14.901 -7.892 6.541 1.00 0.00 C ATOM 644 O LYS A 45 14.716 -7.287 7.597 1.00 0.00 O ATOM 645 CB LYS A 45 16.912 -9.330 6.157 1.00 0.00 C ATOM 646 CG LYS A 45 17.766 -8.407 7.010 1.00 0.00 C ATOM 647 CD LYS A 45 17.942 -8.952 8.417 1.00 0.00 C ATOM 648 CE LYS A 45 18.558 -7.914 9.343 1.00 0.00 C ATOM 649 NZ LYS A 45 18.114 -8.097 10.753 1.00 0.00 N ATOM 0 H LYS A 45 14.670 -9.840 4.661 1.00 0.00 H new ATOM 0 HA LYS A 45 15.320 -9.729 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.295 -10.347 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.008 -9.038 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.743 -8.279 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.303 -7.421 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.975 -9.265 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.576 -9.838 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.645 -7.981 9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.284 -6.915 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.555 -7.371 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.079 -8.008 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.397 -9.040 11.087 1.00 0.00 H new ATOM 663 N GLY A 46 14.657 -7.357 5.349 1.00 0.00 N ATOM 664 CA GLY A 46 14.150 -6.003 5.233 1.00 0.00 C ATOM 665 C GLY A 46 14.682 -5.287 4.008 1.00 0.00 C ATOM 666 O GLY A 46 15.335 -4.249 4.122 1.00 0.00 O ATOM 0 H GLY A 46 14.802 -7.838 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.061 -6.029 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.421 -5.439 6.126 1.00 0.00 H new ATOM 670 N GLN A 47 14.404 -5.841 2.833 1.00 0.00 N ATOM 671 CA GLN A 47 14.862 -5.250 1.582 1.00 0.00 C ATOM 672 C GLN A 47 13.709 -4.583 0.840 1.00 0.00 C ATOM 673 O GLN A 47 13.864 -3.504 0.271 1.00 0.00 O ATOM 674 CB GLN A 47 15.506 -6.316 0.694 1.00 0.00 C ATOM 675 CG GLN A 47 16.994 -6.498 0.943 1.00 0.00 C ATOM 676 CD GLN A 47 17.282 -7.274 2.213 1.00 0.00 C ATOM 677 OE1 GLN A 47 16.984 -6.815 3.317 1.00 0.00 O ATOM 678 NE2 GLN A 47 17.866 -8.458 2.065 1.00 0.00 N ATOM 0 H GLN A 47 13.864 -6.699 2.721 1.00 0.00 H new ATOM 0 HA GLN A 47 15.605 -4.489 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.000 -7.267 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.351 -6.048 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 47 17.440 -7.018 0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.471 -5.520 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.096 -8.800 1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.085 -9.025 2.884 1.00 0.00 H new ATOM 687 N ASN A 48 12.550 -5.234 0.851 1.00 0.00 N ATOM 688 CA ASN A 48 11.369 -4.705 0.178 1.00 0.00 C ATOM 689 C ASN A 48 10.981 -3.345 0.750 1.00 0.00 C ATOM 690 O ASN A 48 10.605 -2.433 0.012 1.00 0.00 O ATOM 691 CB ASN A 48 10.199 -5.681 0.313 1.00 0.00 C ATOM 692 CG ASN A 48 10.640 -7.129 0.224 1.00 0.00 C ATOM 693 OD1 ASN A 48 11.592 -7.456 -0.484 1.00 0.00 O ATOM 694 ND2 ASN A 48 9.947 -8.003 0.943 1.00 0.00 N ATOM 0 H ASN A 48 12.404 -6.129 1.319 1.00 0.00 H new ATOM 0 HA ASN A 48 11.608 -4.580 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.699 -5.514 1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.468 -5.478 -0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.197 -8.992 0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.165 -7.686 1.516 1.00 0.00 H new ATOM 701 N LEU A 49 11.074 -3.217 2.069 1.00 0.00 N ATOM 702 CA LEU A 49 10.733 -1.967 2.741 1.00 0.00 C ATOM 703 C LEU A 49 11.882 -0.969 2.650 1.00 0.00 C ATOM 704 O LEU A 49 11.692 0.175 2.235 1.00 0.00 O ATOM 705 CB LEU A 49 10.389 -2.232 4.209 1.00 0.00 C ATOM 706 CG LEU A 49 8.953 -2.672 4.493 1.00 0.00 C ATOM 707 CD1 LEU A 49 8.860 -3.350 5.851 1.00 0.00 C ATOM 708 CD2 LEU A 49 8.006 -1.483 4.422 1.00 0.00 C ATOM 0 H LEU A 49 11.382 -3.962 2.694 1.00 0.00 H new ATOM 0 HA LEU A 49 9.864 -1.540 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.064 -3.000 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.589 -1.324 4.778 1.00 0.00 H new ATOM 0 HG LEU A 49 8.657 -3.392 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.830 -3.656 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.507 -4.227 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.176 -2.654 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.988 -1.816 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.300 -0.739 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.050 -1.042 3.426 1.00 0.00 H new ATOM 720 N ALA A 50 13.076 -1.409 3.037 1.00 0.00 N ATOM 721 CA ALA A 50 14.256 -0.555 2.993 1.00 0.00 C ATOM 722 C ALA A 50 14.340 0.199 1.670 1.00 0.00 C ATOM 723 O ALA A 50 14.604 1.401 1.645 1.00 0.00 O ATOM 724 CB ALA A 50 15.514 -1.382 3.214 1.00 0.00 C ATOM 0 H ALA A 50 13.251 -2.352 3.384 1.00 0.00 H new ATOM 0 HA ALA A 50 14.173 0.180 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.388 -0.732 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.463 -1.869 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.593 -2.139 2.434 1.00 0.00 H new ATOM 730 N LYS A 51 14.116 -0.516 0.572 1.00 0.00 N ATOM 731 CA LYS A 51 14.166 0.084 -0.755 1.00 0.00 C ATOM 732 C LYS A 51 13.180 1.243 -0.866 1.00 0.00 C ATOM 733 O LYS A 51 13.568 2.375 -1.155 1.00 0.00 O ATOM 734 CB LYS A 51 13.857 -0.965 -1.825 1.00 0.00 C ATOM 735 CG LYS A 51 15.089 -1.691 -2.337 1.00 0.00 C ATOM 736 CD LYS A 51 14.871 -2.236 -3.739 1.00 0.00 C ATOM 737 CE LYS A 51 15.703 -3.485 -3.986 1.00 0.00 C ATOM 738 NZ LYS A 51 15.275 -4.618 -3.121 1.00 0.00 N ATOM 0 H LYS A 51 13.898 -1.512 0.576 1.00 0.00 H new ATOM 0 HA LYS A 51 15.173 0.469 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.159 -1.695 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.356 -0.481 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.940 -1.010 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.337 -2.510 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.815 -2.467 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.132 -1.473 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.619 -3.776 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.754 -3.264 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.503 -5.518 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.773 -4.566 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.249 -4.563 -2.959 1.00 0.00 H new ATOM 752 N ILE A 52 11.904 0.953 -0.633 1.00 0.00 N ATOM 753 CA ILE A 52 10.864 1.971 -0.703 1.00 0.00 C ATOM 754 C ILE A 52 11.240 3.199 0.118 1.00 0.00 C ATOM 755 O ILE A 52 11.295 4.315 -0.401 1.00 0.00 O ATOM 756 CB ILE A 52 9.510 1.430 -0.207 1.00 0.00 C ATOM 757 CG1 ILE A 52 9.052 0.261 -1.082 1.00 0.00 C ATOM 758 CG2 ILE A 52 8.466 2.536 -0.202 1.00 0.00 C ATOM 759 CD1 ILE A 52 7.899 -0.520 -0.492 1.00 0.00 C ATOM 0 H ILE A 52 11.566 0.021 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 52 10.770 2.253 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 52 9.632 1.069 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.759 0.643 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.893 -0.414 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.515 2.137 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.790 3.340 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.343 2.925 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.628 -1.333 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.194 -0.932 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.043 0.141 -0.358 1.00 0.00 H new ATOM 771 N THR A 53 11.499 2.987 1.405 1.00 0.00 N ATOM 772 CA THR A 53 11.872 4.076 2.300 1.00 0.00 C ATOM 773 C THR A 53 13.150 4.761 1.830 1.00 0.00 C ATOM 774 O THR A 53 13.310 5.971 1.990 1.00 0.00 O ATOM 775 CB THR A 53 12.072 3.574 3.742 1.00 0.00 C ATOM 776 OG1 THR A 53 12.364 4.677 4.607 1.00 0.00 O ATOM 777 CG2 THR A 53 13.200 2.556 3.809 1.00 0.00 C ATOM 0 H THR A 53 11.457 2.071 1.851 1.00 0.00 H new ATOM 0 HA THR A 53 11.052 4.794 2.284 1.00 0.00 H new ATOM 0 HB THR A 53 11.150 3.092 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.488 4.351 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.323 2.216 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.960 1.705 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.127 3.017 3.466 1.00 0.00 H new ATOM 785 N GLN A 54 14.055 3.981 1.250 1.00 0.00 N ATOM 786 CA GLN A 54 15.319 4.514 0.757 1.00 0.00 C ATOM 787 C GLN A 54 15.082 5.623 -0.263 1.00 0.00 C ATOM 788 O GLN A 54 15.744 6.660 -0.230 1.00 0.00 O ATOM 789 CB GLN A 54 16.158 3.399 0.130 1.00 0.00 C ATOM 790 CG GLN A 54 17.533 3.856 -0.329 1.00 0.00 C ATOM 791 CD GLN A 54 18.304 2.763 -1.043 1.00 0.00 C ATOM 792 OE1 GLN A 54 19.144 2.089 -0.445 1.00 0.00 O ATOM 793 NE2 GLN A 54 18.022 2.581 -2.327 1.00 0.00 N ATOM 0 H GLN A 54 13.937 2.978 1.110 1.00 0.00 H new ATOM 0 HA GLN A 54 15.861 4.934 1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.275 2.593 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.619 2.985 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.423 4.712 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 54 18.106 4.195 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.318 3.163 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.509 1.859 -2.859 1.00 0.00 H new ATOM 802 N GLN A 55 14.134 5.396 -1.166 1.00 0.00 N ATOM 803 CA GLN A 55 13.811 6.376 -2.197 1.00 0.00 C ATOM 804 C GLN A 55 13.037 7.550 -1.607 1.00 0.00 C ATOM 805 O GLN A 55 13.141 8.678 -2.088 1.00 0.00 O ATOM 806 CB GLN A 55 12.996 5.723 -3.314 1.00 0.00 C ATOM 807 CG GLN A 55 12.684 6.662 -4.468 1.00 0.00 C ATOM 808 CD GLN A 55 12.442 5.926 -5.770 1.00 0.00 C ATOM 809 OE1 GLN A 55 12.308 4.702 -5.790 1.00 0.00 O ATOM 810 NE2 GLN A 55 12.384 6.670 -6.869 1.00 0.00 N ATOM 0 H GLN A 55 13.576 4.543 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 55 14.746 6.752 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.543 4.861 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.061 5.348 -2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.803 7.255 -4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.512 7.359 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.500 7.681 -6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.223 6.230 -7.775 1.00 0.00 H new ATOM 819 N MET A 56 12.262 7.277 -0.563 1.00 0.00 N ATOM 820 CA MET A 56 11.471 8.312 0.093 1.00 0.00 C ATOM 821 C MET A 56 11.604 8.219 1.611 1.00 0.00 C ATOM 822 O MET A 56 10.752 7.660 2.299 1.00 0.00 O ATOM 823 CB MET A 56 10.000 8.191 -0.309 1.00 0.00 C ATOM 824 CG MET A 56 9.736 8.542 -1.764 1.00 0.00 C ATOM 825 SD MET A 56 8.216 7.805 -2.393 1.00 0.00 S ATOM 826 CE MET A 56 8.854 6.318 -3.161 1.00 0.00 C ATOM 0 H MET A 56 12.165 6.348 -0.153 1.00 0.00 H new ATOM 0 HA MET A 56 11.850 9.282 -0.229 1.00 0.00 H new ATOM 0 HB2 MET A 56 9.664 7.171 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.403 8.844 0.328 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.679 9.626 -1.868 1.00 0.00 H new ATOM 0 HG3 MET A 56 10.576 8.207 -2.372 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.219 6.042 -4.002 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.868 6.499 -3.516 1.00 0.00 H new ATOM 0 HE3 MET A 56 8.864 5.508 -2.432 1.00 0.00 H new ATOM 836 N PRO A 57 12.700 8.779 2.143 1.00 0.00 N ATOM 837 CA PRO A 57 12.972 8.773 3.585 1.00 0.00 C ATOM 838 C PRO A 57 12.014 9.673 4.358 1.00 0.00 C ATOM 839 O PRO A 57 11.885 9.558 5.577 1.00 0.00 O ATOM 840 CB PRO A 57 14.403 9.306 3.679 1.00 0.00 C ATOM 841 CG PRO A 57 14.582 10.128 2.450 1.00 0.00 C ATOM 842 CD PRO A 57 13.759 9.463 1.382 1.00 0.00 C ATOM 0 HA PRO A 57 12.844 7.782 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.544 9.904 4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.127 8.492 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.251 11.153 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.632 10.174 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.346 10.190 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.352 8.760 0.798 1.00 0.00 H new ATOM 850 N LYS A 58 11.344 10.570 3.643 1.00 0.00 N ATOM 851 CA LYS A 58 10.397 11.490 4.261 1.00 0.00 C ATOM 852 C LYS A 58 9.128 10.760 4.688 1.00 0.00 C ATOM 853 O LYS A 58 8.436 11.186 5.613 1.00 0.00 O ATOM 854 CB LYS A 58 10.046 12.620 3.292 1.00 0.00 C ATOM 855 CG LYS A 58 11.168 13.625 3.095 1.00 0.00 C ATOM 856 CD LYS A 58 10.652 14.929 2.509 1.00 0.00 C ATOM 857 CE LYS A 58 11.541 16.102 2.893 1.00 0.00 C ATOM 858 NZ LYS A 58 10.955 17.403 2.467 1.00 0.00 N ATOM 0 H LYS A 58 11.440 10.679 2.633 1.00 0.00 H new ATOM 0 HA LYS A 58 10.867 11.913 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.782 12.190 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.163 13.142 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.654 13.822 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.925 13.202 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.604 14.848 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.636 15.110 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.690 16.107 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.523 15.979 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.590 18.178 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.836 17.408 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.029 17.533 2.923 1.00 0.00 H new ATOM 872 N VAL A 59 8.830 9.655 4.011 1.00 0.00 N ATOM 873 CA VAL A 59 7.647 8.864 4.324 1.00 0.00 C ATOM 874 C VAL A 59 7.964 7.780 5.348 1.00 0.00 C ATOM 875 O VAL A 59 8.859 6.960 5.144 1.00 0.00 O ATOM 876 CB VAL A 59 7.064 8.203 3.060 1.00 0.00 C ATOM 877 CG1 VAL A 59 5.789 7.444 3.393 1.00 0.00 C ATOM 878 CG2 VAL A 59 6.806 9.247 1.984 1.00 0.00 C ATOM 0 H VAL A 59 9.392 9.288 3.243 1.00 0.00 H new ATOM 0 HA VAL A 59 6.910 9.550 4.741 1.00 0.00 H new ATOM 0 HB VAL A 59 7.793 7.490 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.392 6.984 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.008 6.669 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.051 8.134 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.394 8.763 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.096 9.986 2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.742 9.742 1.725 1.00 0.00 H new ATOM 888 N HIS A 60 7.224 7.784 6.453 1.00 0.00 N ATOM 889 CA HIS A 60 7.426 6.801 7.512 1.00 0.00 C ATOM 890 C HIS A 60 6.406 5.671 7.405 1.00 0.00 C ATOM 891 O HIS A 60 5.213 5.877 7.628 1.00 0.00 O ATOM 892 CB HIS A 60 7.324 7.469 8.883 1.00 0.00 C ATOM 893 CG HIS A 60 8.624 8.024 9.378 1.00 0.00 C ATOM 894 ND1 HIS A 60 9.764 7.262 9.515 1.00 0.00 N ATOM 895 CD2 HIS A 60 8.961 9.276 9.767 1.00 0.00 C ATOM 896 CE1 HIS A 60 10.746 8.019 9.969 1.00 0.00 C ATOM 897 NE2 HIS A 60 10.284 9.246 10.131 1.00 0.00 N ATOM 0 H HIS A 60 6.480 8.456 6.638 1.00 0.00 H new ATOM 0 HA HIS A 60 8.424 6.378 7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.591 8.274 8.832 1.00 0.00 H new ATOM 0 HB3 HIS A 60 6.950 6.743 9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.310 10.138 9.787 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.755 7.691 10.173 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.823 10.042 10.471 1.00 0.00 H new ATOM 905 N ILE A 61 6.885 4.480 7.063 1.00 0.00 N ATOM 906 CA ILE A 61 6.013 3.319 6.926 1.00 0.00 C ATOM 907 C ILE A 61 5.819 2.618 8.267 1.00 0.00 C ATOM 908 O ILE A 61 6.784 2.330 8.973 1.00 0.00 O ATOM 909 CB ILE A 61 6.577 2.309 5.909 1.00 0.00 C ATOM 910 CG1 ILE A 61 6.846 2.998 4.569 1.00 0.00 C ATOM 911 CG2 ILE A 61 5.614 1.146 5.729 1.00 0.00 C ATOM 912 CD1 ILE A 61 7.863 2.276 3.713 1.00 0.00 C ATOM 0 H ILE A 61 7.870 4.293 6.876 1.00 0.00 H new ATOM 0 HA ILE A 61 5.051 3.686 6.567 1.00 0.00 H new ATOM 0 HB ILE A 61 7.520 1.918 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.910 3.079 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.195 4.014 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.026 0.441 5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.468 0.643 6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.657 1.519 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.004 2.820 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.812 2.218 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.507 1.269 3.496 1.00 0.00 H new ATOM 924 N GLU A 62 4.564 2.345 8.609 1.00 0.00 N ATOM 925 CA GLU A 62 4.243 1.677 9.864 1.00 0.00 C ATOM 926 C GLU A 62 3.467 0.387 9.611 1.00 0.00 C ATOM 927 O GLU A 62 2.749 0.267 8.619 1.00 0.00 O ATOM 928 CB GLU A 62 3.431 2.605 10.769 1.00 0.00 C ATOM 929 CG GLU A 62 3.569 2.287 12.249 1.00 0.00 C ATOM 930 CD GLU A 62 3.068 3.410 13.136 1.00 0.00 C ATOM 931 OE1 GLU A 62 3.264 4.588 12.768 1.00 0.00 O ATOM 932 OE2 GLU A 62 2.483 3.113 14.198 1.00 0.00 O ATOM 0 H GLU A 62 3.753 2.576 8.035 1.00 0.00 H new ATOM 0 HA GLU A 62 5.180 1.425 10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.746 3.634 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.379 2.543 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.014 1.376 12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.616 2.088 12.478 1.00 0.00 H new ATOM 939 N PHE A 63 3.618 -0.574 10.517 1.00 0.00 N ATOM 940 CA PHE A 63 2.932 -1.855 10.393 1.00 0.00 C ATOM 941 C PHE A 63 2.291 -2.260 11.717 1.00 0.00 C ATOM 942 O PHE A 63 2.980 -2.485 12.712 1.00 0.00 O ATOM 943 CB PHE A 63 3.912 -2.939 9.936 1.00 0.00 C ATOM 944 CG PHE A 63 3.998 -3.077 8.443 1.00 0.00 C ATOM 945 CD1 PHE A 63 2.886 -3.442 7.702 1.00 0.00 C ATOM 946 CD2 PHE A 63 5.192 -2.841 7.780 1.00 0.00 C ATOM 947 CE1 PHE A 63 2.964 -3.571 6.328 1.00 0.00 C ATOM 948 CE2 PHE A 63 5.275 -2.968 6.406 1.00 0.00 C ATOM 949 CZ PHE A 63 4.160 -3.333 5.679 1.00 0.00 C ATOM 0 H PHE A 63 4.209 -0.490 11.344 1.00 0.00 H new ATOM 0 HA PHE A 63 2.145 -1.747 9.647 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.903 -2.712 10.330 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.610 -3.895 10.365 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.948 -3.628 8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.068 -2.555 8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.090 -3.858 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.212 -2.782 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.222 -3.432 4.605 1.00 0.00 H new ATOM 959 N THR A 64 0.965 -2.350 11.721 1.00 0.00 N ATOM 960 CA THR A 64 0.228 -2.725 12.921 1.00 0.00 C ATOM 961 C THR A 64 -0.568 -4.007 12.700 1.00 0.00 C ATOM 962 O THR A 64 -1.344 -4.110 11.751 1.00 0.00 O ATOM 963 CB THR A 64 -0.734 -1.607 13.363 1.00 0.00 C ATOM 964 OG1 THR A 64 -0.113 -0.328 13.186 1.00 0.00 O ATOM 965 CG2 THR A 64 -1.137 -1.783 14.819 1.00 0.00 C ATOM 0 H THR A 64 0.379 -2.168 10.906 1.00 0.00 H new ATOM 0 HA THR A 64 0.966 -2.890 13.706 1.00 0.00 H new ATOM 0 HB THR A 64 -1.630 -1.664 12.745 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.774 0.380 13.334 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.817 -0.981 15.108 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.635 -2.744 14.945 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.248 -1.750 15.449 1.00 0.00 H new ATOM 973 N GLU A 65 -0.371 -4.981 13.583 1.00 0.00 N ATOM 974 CA GLU A 65 -1.072 -6.255 13.482 1.00 0.00 C ATOM 975 C GLU A 65 -2.567 -6.076 13.732 1.00 0.00 C ATOM 976 O GLU A 65 -3.372 -6.121 12.803 1.00 0.00 O ATOM 977 CB GLU A 65 -0.494 -7.261 14.481 1.00 0.00 C ATOM 978 CG GLU A 65 -1.224 -8.594 14.494 1.00 0.00 C ATOM 979 CD GLU A 65 -0.556 -9.615 15.394 1.00 0.00 C ATOM 980 OE1 GLU A 65 0.683 -9.555 15.542 1.00 0.00 O ATOM 981 OE2 GLU A 65 -1.271 -10.474 15.950 1.00 0.00 O ATOM 0 H GLU A 65 0.268 -4.912 14.375 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.934 -6.637 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.556 -7.434 14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.528 -6.828 15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.251 -8.439 14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.273 -8.987 13.479 1.00 0.00 H new ATOM 988 N GLY A 66 -2.930 -5.873 14.995 1.00 0.00 N ATOM 989 CA GLY A 66 -4.327 -5.690 15.344 1.00 0.00 C ATOM 990 C GLY A 66 -5.072 -4.844 14.331 1.00 0.00 C ATOM 991 O GLY A 66 -6.028 -5.308 13.710 1.00 0.00 O ATOM 0 H GLY A 66 -2.282 -5.832 15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.809 -6.664 15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.395 -5.220 16.325 1.00 0.00 H new ATOM 995 N GLU A 67 -4.635 -3.600 14.165 1.00 0.00 N ATOM 996 CA GLU A 67 -5.271 -2.688 13.221 1.00 0.00 C ATOM 997 C GLU A 67 -5.202 -3.240 11.801 1.00 0.00 C ATOM 998 O GLU A 67 -5.994 -2.863 10.937 1.00 0.00 O ATOM 999 CB GLU A 67 -4.602 -1.312 13.279 1.00 0.00 C ATOM 1000 CG GLU A 67 -4.508 -0.740 14.684 1.00 0.00 C ATOM 1001 CD GLU A 67 -3.383 0.266 14.830 1.00 0.00 C ATOM 1002 OE1 GLU A 67 -2.874 0.740 13.793 1.00 0.00 O ATOM 1003 OE2 GLU A 67 -3.011 0.578 15.980 1.00 0.00 O ATOM 0 H GLU A 67 -3.844 -3.201 14.671 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.319 -2.587 13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.599 -1.387 12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.161 -0.619 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.453 -0.262 14.942 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.358 -1.553 15.394 1.00 0.00 H new ATOM 1010 N ASP A 68 -4.247 -4.134 11.565 1.00 0.00 N ATOM 1011 CA ASP A 68 -4.074 -4.739 10.250 1.00 0.00 C ATOM 1012 C ASP A 68 -4.116 -3.678 9.154 1.00 0.00 C ATOM 1013 O ASP A 68 -4.839 -3.816 8.168 1.00 0.00 O ATOM 1014 CB ASP A 68 -5.158 -5.789 10.001 1.00 0.00 C ATOM 1015 CG ASP A 68 -6.556 -5.235 10.188 1.00 0.00 C ATOM 1016 OD1 ASP A 68 -7.070 -4.590 9.249 1.00 0.00 O ATOM 1017 OD2 ASP A 68 -7.137 -5.445 11.273 1.00 0.00 O ATOM 0 H ASP A 68 -3.581 -4.455 12.268 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.098 -5.223 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.057 -6.177 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.009 -6.628 10.680 1.00 0.00 H new ATOM 1022 N LYS A 69 -3.335 -2.618 9.335 1.00 0.00 N ATOM 1023 CA LYS A 69 -3.281 -1.532 8.362 1.00 0.00 C ATOM 1024 C LYS A 69 -1.906 -0.872 8.360 1.00 0.00 C ATOM 1025 O LYS A 69 -1.165 -0.959 9.338 1.00 0.00 O ATOM 1026 CB LYS A 69 -4.359 -0.491 8.670 1.00 0.00 C ATOM 1027 CG LYS A 69 -3.995 0.441 9.813 1.00 0.00 C ATOM 1028 CD LYS A 69 -4.967 1.605 9.915 1.00 0.00 C ATOM 1029 CE LYS A 69 -5.024 2.162 11.329 1.00 0.00 C ATOM 1030 NZ LYS A 69 -6.169 3.096 11.511 1.00 0.00 N ATOM 0 H LYS A 69 -2.731 -2.488 10.146 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.463 -1.953 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.546 0.102 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.289 -1.004 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.992 -0.115 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.984 0.822 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.666 2.393 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.961 1.278 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.109 1.340 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.092 2.682 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.173 3.454 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.075 3.894 10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.060 2.594 11.323 1.00 0.00 H new ATOM 1044 N ILE A 70 -1.575 -0.211 7.255 1.00 0.00 N ATOM 1045 CA ILE A 70 -0.291 0.466 7.128 1.00 0.00 C ATOM 1046 C ILE A 70 -0.456 1.980 7.205 1.00 0.00 C ATOM 1047 O ILE A 70 -1.163 2.581 6.394 1.00 0.00 O ATOM 1048 CB ILE A 70 0.408 0.105 5.805 1.00 0.00 C ATOM 1049 CG1 ILE A 70 0.560 -1.413 5.680 1.00 0.00 C ATOM 1050 CG2 ILE A 70 1.765 0.786 5.718 1.00 0.00 C ATOM 1051 CD1 ILE A 70 0.862 -1.877 4.272 1.00 0.00 C ATOM 0 H ILE A 70 -2.178 -0.130 6.436 1.00 0.00 H new ATOM 0 HA ILE A 70 0.326 0.127 7.960 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.208 0.460 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.359 -1.746 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.358 -1.891 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.246 0.520 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.633 1.867 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.390 0.460 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.956 -2.963 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.052 -1.575 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.795 -1.428 3.933 1.00 0.00 H new ATOM 1063 N THR A 71 0.199 2.593 8.185 1.00 0.00 N ATOM 1064 CA THR A 71 0.124 4.037 8.369 1.00 0.00 C ATOM 1065 C THR A 71 1.285 4.740 7.673 1.00 0.00 C ATOM 1066 O THR A 71 2.424 4.278 7.725 1.00 0.00 O ATOM 1067 CB THR A 71 0.131 4.415 9.862 1.00 0.00 C ATOM 1068 OG1 THR A 71 -0.956 3.772 10.535 1.00 0.00 O ATOM 1069 CG2 THR A 71 0.022 5.922 10.039 1.00 0.00 C ATOM 0 H THR A 71 0.788 2.112 8.864 1.00 0.00 H new ATOM 0 HA THR A 71 -0.816 4.364 7.924 1.00 0.00 H new ATOM 0 HB THR A 71 1.074 4.081 10.294 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.943 4.016 11.484 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.029 6.165 11.102 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.866 6.408 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.908 6.275 9.592 1.00 0.00 H new ATOM 1077 N LEU A 72 0.988 5.861 7.024 1.00 0.00 N ATOM 1078 CA LEU A 72 2.007 6.629 6.317 1.00 0.00 C ATOM 1079 C LEU A 72 2.073 8.059 6.845 1.00 0.00 C ATOM 1080 O LEU A 72 1.044 8.697 7.064 1.00 0.00 O ATOM 1081 CB LEU A 72 1.717 6.640 4.816 1.00 0.00 C ATOM 1082 CG LEU A 72 1.967 5.325 4.074 1.00 0.00 C ATOM 1083 CD1 LEU A 72 3.429 4.921 4.184 1.00 0.00 C ATOM 1084 CD2 LEU A 72 1.066 4.226 4.618 1.00 0.00 C ATOM 0 H LEU A 72 0.050 6.258 6.973 1.00 0.00 H new ATOM 0 HA LEU A 72 2.972 6.152 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.675 6.924 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.327 7.416 4.354 1.00 0.00 H new ATOM 0 HG LEU A 72 1.730 5.473 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.589 3.984 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.055 5.699 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.692 4.791 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.257 3.298 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.272 4.078 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.023 4.513 4.487 1.00 0.00 H new ATOM 1096 N GLU A 73 3.290 8.555 7.043 1.00 0.00 N ATOM 1097 CA GLU A 73 3.489 9.910 7.542 1.00 0.00 C ATOM 1098 C GLU A 73 4.480 10.673 6.667 1.00 0.00 C ATOM 1099 O GLU A 73 5.567 10.182 6.369 1.00 0.00 O ATOM 1100 CB GLU A 73 3.991 9.877 8.987 1.00 0.00 C ATOM 1101 CG GLU A 73 4.338 11.247 9.544 1.00 0.00 C ATOM 1102 CD GLU A 73 4.435 11.256 11.057 1.00 0.00 C ATOM 1103 OE1 GLU A 73 3.394 11.062 11.719 1.00 0.00 O ATOM 1104 OE2 GLU A 73 5.551 11.457 11.580 1.00 0.00 O ATOM 0 H GLU A 73 4.152 8.039 6.866 1.00 0.00 H new ATOM 0 HA GLU A 73 2.529 10.425 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.228 9.421 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.873 9.238 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.287 11.577 9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.581 11.965 9.228 1.00 0.00 H new ATOM 1111 N GLY A 74 4.092 11.877 6.257 1.00 0.00 N ATOM 1112 CA GLY A 74 4.956 12.689 5.419 1.00 0.00 C ATOM 1113 C GLY A 74 4.176 13.581 4.475 1.00 0.00 C ATOM 1114 O GLY A 74 2.956 13.712 4.576 1.00 0.00 O ATOM 0 H GLY A 74 3.196 12.304 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.595 13.305 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.612 12.038 4.840 1.00 0.00 H new ATOM 1118 N PRO A 75 4.886 14.216 3.531 1.00 0.00 N ATOM 1119 CA PRO A 75 4.273 15.113 2.547 1.00 0.00 C ATOM 1120 C PRO A 75 3.415 14.363 1.534 1.00 0.00 C ATOM 1121 O PRO A 75 3.862 13.391 0.925 1.00 0.00 O ATOM 1122 CB PRO A 75 5.477 15.757 1.855 1.00 0.00 C ATOM 1123 CG PRO A 75 6.583 14.773 2.024 1.00 0.00 C ATOM 1124 CD PRO A 75 6.344 14.106 3.352 1.00 0.00 C ATOM 0 HA PRO A 75 3.599 15.830 3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.273 15.946 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.728 16.716 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.583 14.043 1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.553 15.269 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.671 13.066 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.886 14.604 4.155 1.00 0.00 H new ATOM 1132 N THR A 76 2.179 14.821 1.358 1.00 0.00 N ATOM 1133 CA THR A 76 1.258 14.191 0.420 1.00 0.00 C ATOM 1134 C THR A 76 1.973 13.783 -0.863 1.00 0.00 C ATOM 1135 O THR A 76 1.779 12.679 -1.368 1.00 0.00 O ATOM 1136 CB THR A 76 0.088 15.130 0.067 1.00 0.00 C ATOM 1137 OG1 THR A 76 -0.828 14.463 -0.808 1.00 0.00 O ATOM 1138 CG2 THR A 76 0.597 16.401 -0.597 1.00 0.00 C ATOM 0 H THR A 76 1.793 15.625 1.853 1.00 0.00 H new ATOM 0 HA THR A 76 0.865 13.301 0.911 1.00 0.00 H new ATOM 0 HB THR A 76 -0.424 15.401 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.569 15.066 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.246 17.049 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.272 16.921 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.130 16.145 -1.513 1.00 0.00 H new ATOM 1146 N GLU A 77 2.801 14.683 -1.385 1.00 0.00 N ATOM 1147 CA GLU A 77 3.545 14.415 -2.610 1.00 0.00 C ATOM 1148 C GLU A 77 4.233 13.055 -2.542 1.00 0.00 C ATOM 1149 O GLU A 77 4.180 12.273 -3.492 1.00 0.00 O ATOM 1150 CB GLU A 77 4.584 15.513 -2.852 1.00 0.00 C ATOM 1151 CG GLU A 77 5.919 15.247 -2.177 1.00 0.00 C ATOM 1152 CD GLU A 77 6.924 16.358 -2.414 1.00 0.00 C ATOM 1153 OE1 GLU A 77 6.556 17.362 -3.060 1.00 0.00 O ATOM 1154 OE2 GLU A 77 8.077 16.224 -1.954 1.00 0.00 O ATOM 0 H GLU A 77 2.973 15.603 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 77 2.838 14.404 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.744 15.620 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.187 16.462 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.762 15.126 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.328 14.307 -2.547 1.00 0.00 H new ATOM 1161 N ASP A 78 4.878 12.780 -1.414 1.00 0.00 N ATOM 1162 CA ASP A 78 5.576 11.515 -1.222 1.00 0.00 C ATOM 1163 C ASP A 78 4.604 10.416 -0.799 1.00 0.00 C ATOM 1164 O ASP A 78 4.627 9.311 -1.340 1.00 0.00 O ATOM 1165 CB ASP A 78 6.677 11.670 -0.171 1.00 0.00 C ATOM 1166 CG ASP A 78 7.828 12.529 -0.660 1.00 0.00 C ATOM 1167 OD1 ASP A 78 7.627 13.750 -0.825 1.00 0.00 O ATOM 1168 OD2 ASP A 78 8.927 11.979 -0.879 1.00 0.00 O ATOM 0 H ASP A 78 4.932 13.416 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 78 6.028 11.230 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.255 12.113 0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.054 10.685 0.104 1.00 0.00 H new ATOM 1173 N VAL A 79 3.752 10.729 0.171 1.00 0.00 N ATOM 1174 CA VAL A 79 2.772 9.770 0.667 1.00 0.00 C ATOM 1175 C VAL A 79 2.030 9.100 -0.485 1.00 0.00 C ATOM 1176 O VAL A 79 1.787 7.893 -0.460 1.00 0.00 O ATOM 1177 CB VAL A 79 1.748 10.444 1.600 1.00 0.00 C ATOM 1178 CG1 VAL A 79 0.686 9.447 2.036 1.00 0.00 C ATOM 1179 CG2 VAL A 79 2.448 11.052 2.805 1.00 0.00 C ATOM 0 H VAL A 79 3.720 11.640 0.629 1.00 0.00 H new ATOM 0 HA VAL A 79 3.323 9.016 1.230 1.00 0.00 H new ATOM 0 HB VAL A 79 1.254 11.246 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.028 9.941 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.165 9.063 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.159 8.621 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.711 11.524 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.969 10.269 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.167 11.799 2.469 1.00 0.00 H new ATOM 1189 N SER A 80 1.672 9.889 -1.491 1.00 0.00 N ATOM 1190 CA SER A 80 0.954 9.373 -2.651 1.00 0.00 C ATOM 1191 C SER A 80 1.822 8.394 -3.435 1.00 0.00 C ATOM 1192 O SER A 80 1.313 7.503 -4.115 1.00 0.00 O ATOM 1193 CB SER A 80 0.516 10.524 -3.559 1.00 0.00 C ATOM 1194 OG SER A 80 0.155 10.049 -4.845 1.00 0.00 O ATOM 0 H SER A 80 1.867 10.889 -1.527 1.00 0.00 H new ATOM 0 HA SER A 80 0.070 8.844 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.329 11.045 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.325 11.249 -3.649 1.00 0.00 H new ATOM 0 HG SER A 80 -0.123 10.803 -5.406 1.00 0.00 H new ATOM 1200 N VAL A 81 3.136 8.565 -3.335 1.00 0.00 N ATOM 1201 CA VAL A 81 4.076 7.696 -4.033 1.00 0.00 C ATOM 1202 C VAL A 81 4.370 6.440 -3.221 1.00 0.00 C ATOM 1203 O VAL A 81 4.407 5.335 -3.760 1.00 0.00 O ATOM 1204 CB VAL A 81 5.400 8.425 -4.328 1.00 0.00 C ATOM 1205 CG1 VAL A 81 6.358 7.511 -5.078 1.00 0.00 C ATOM 1206 CG2 VAL A 81 5.142 9.701 -5.115 1.00 0.00 C ATOM 0 H VAL A 81 3.574 9.298 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 81 3.607 7.414 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 81 5.863 8.697 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.288 8.044 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.568 6.629 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.906 7.205 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.089 10.203 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.656 9.454 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.496 10.361 -4.536 1.00 0.00 H new ATOM 1216 N ALA A 82 4.579 6.618 -1.920 1.00 0.00 N ATOM 1217 CA ALA A 82 4.868 5.499 -1.033 1.00 0.00 C ATOM 1218 C ALA A 82 3.640 4.613 -0.849 1.00 0.00 C ATOM 1219 O ALA A 82 3.733 3.387 -0.911 1.00 0.00 O ATOM 1220 CB ALA A 82 5.361 6.006 0.314 1.00 0.00 C ATOM 0 H ALA A 82 4.553 7.527 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 82 5.653 4.898 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.573 5.159 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.270 6.591 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.594 6.632 0.770 1.00 0.00 H new ATOM 1226 N GLN A 83 2.491 5.242 -0.622 1.00 0.00 N ATOM 1227 CA GLN A 83 1.246 4.509 -0.428 1.00 0.00 C ATOM 1228 C GLN A 83 0.883 3.710 -1.675 1.00 0.00 C ATOM 1229 O GLN A 83 0.397 2.584 -1.583 1.00 0.00 O ATOM 1230 CB GLN A 83 0.111 5.474 -0.079 1.00 0.00 C ATOM 1231 CG GLN A 83 -0.508 6.150 -1.293 1.00 0.00 C ATOM 1232 CD GLN A 83 -1.790 6.887 -0.959 1.00 0.00 C ATOM 1233 OE1 GLN A 83 -1.766 8.059 -0.581 1.00 0.00 O ATOM 1234 NE2 GLN A 83 -2.920 6.203 -1.098 1.00 0.00 N ATOM 0 H GLN A 83 2.397 6.256 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 83 1.390 3.812 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.665 4.930 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.491 6.239 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.209 6.851 -1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.713 5.400 -2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.894 5.234 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.814 6.647 -0.889 1.00 0.00 H new ATOM 1243 N GLU A 84 1.125 4.302 -2.842 1.00 0.00 N ATOM 1244 CA GLU A 84 0.822 3.644 -4.108 1.00 0.00 C ATOM 1245 C GLU A 84 1.712 2.421 -4.311 1.00 0.00 C ATOM 1246 O GLU A 84 1.234 1.350 -4.685 1.00 0.00 O ATOM 1247 CB GLU A 84 1.006 4.620 -5.271 1.00 0.00 C ATOM 1248 CG GLU A 84 0.457 4.105 -6.591 1.00 0.00 C ATOM 1249 CD GLU A 84 0.404 5.178 -7.660 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -0.597 5.923 -7.703 1.00 0.00 O ATOM 1251 OE2 GLU A 84 1.362 5.272 -8.455 1.00 0.00 O ATOM 0 H GLU A 84 1.529 5.234 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.217 3.316 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.515 5.561 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.068 4.836 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.077 3.280 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.545 3.706 -6.432 1.00 0.00 H new ATOM 1258 N GLN A 85 3.007 2.589 -4.063 1.00 0.00 N ATOM 1259 CA GLN A 85 3.962 1.500 -4.220 1.00 0.00 C ATOM 1260 C GLN A 85 3.523 0.272 -3.430 1.00 0.00 C ATOM 1261 O GLN A 85 3.495 -0.841 -3.957 1.00 0.00 O ATOM 1262 CB GLN A 85 5.353 1.944 -3.764 1.00 0.00 C ATOM 1263 CG GLN A 85 6.180 2.586 -4.867 1.00 0.00 C ATOM 1264 CD GLN A 85 7.656 2.653 -4.527 1.00 0.00 C ATOM 1265 OE1 GLN A 85 8.453 1.852 -5.013 1.00 0.00 O ATOM 1266 NE2 GLN A 85 8.027 3.613 -3.688 1.00 0.00 N ATOM 0 H GLN A 85 3.418 3.469 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 85 4.001 1.234 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.248 2.652 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.891 1.080 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.049 2.021 -5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.808 3.593 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.332 4.256 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.007 3.708 -3.423 1.00 0.00 H new ATOM 1275 N ILE A 86 3.181 0.481 -2.163 1.00 0.00 N ATOM 1276 CA ILE A 86 2.742 -0.610 -1.300 1.00 0.00 C ATOM 1277 C ILE A 86 1.470 -1.257 -1.838 1.00 0.00 C ATOM 1278 O ILE A 86 1.310 -2.475 -1.776 1.00 0.00 O ATOM 1279 CB ILE A 86 2.489 -0.122 0.138 1.00 0.00 C ATOM 1280 CG1 ILE A 86 3.776 0.441 0.743 1.00 0.00 C ATOM 1281 CG2 ILE A 86 1.948 -1.257 0.994 1.00 0.00 C ATOM 1282 CD1 ILE A 86 3.569 1.126 2.076 1.00 0.00 C ATOM 0 H ILE A 86 3.199 1.395 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 86 3.545 -1.347 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 86 1.745 0.674 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.494 -0.370 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.216 1.151 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.774 -0.897 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.010 -1.617 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.672 -2.072 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.524 1.500 2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.876 1.958 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.158 0.414 2.791 1.00 0.00 H new ATOM 1294 N GLU A 87 0.571 -0.433 -2.366 1.00 0.00 N ATOM 1295 CA GLU A 87 -0.687 -0.927 -2.914 1.00 0.00 C ATOM 1296 C GLU A 87 -0.436 -1.872 -4.086 1.00 0.00 C ATOM 1297 O GLU A 87 -1.271 -2.716 -4.407 1.00 0.00 O ATOM 1298 CB GLU A 87 -1.565 0.241 -3.367 1.00 0.00 C ATOM 1299 CG GLU A 87 -2.326 0.907 -2.232 1.00 0.00 C ATOM 1300 CD GLU A 87 -3.633 1.524 -2.688 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -3.622 2.707 -3.087 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -4.666 0.825 -2.646 1.00 0.00 O ATOM 0 H GLU A 87 0.690 0.578 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.204 -1.478 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.939 0.985 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.278 -0.118 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.528 0.171 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.701 1.680 -1.785 1.00 0.00 H new ATOM 1309 N GLY A 88 0.723 -1.724 -4.720 1.00 0.00 N ATOM 1310 CA GLY A 88 1.065 -2.569 -5.850 1.00 0.00 C ATOM 1311 C GLY A 88 1.507 -3.955 -5.422 1.00 0.00 C ATOM 1312 O GLY A 88 1.101 -4.953 -6.017 1.00 0.00 O ATOM 0 H GLY A 88 1.432 -1.034 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.203 -2.654 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.862 -2.098 -6.425 1.00 0.00 H new ATOM 1316 N MET A 89 2.341 -4.017 -4.391 1.00 0.00 N ATOM 1317 CA MET A 89 2.839 -5.291 -3.887 1.00 0.00 C ATOM 1318 C MET A 89 1.756 -6.026 -3.103 1.00 0.00 C ATOM 1319 O MET A 89 1.830 -7.240 -2.911 1.00 0.00 O ATOM 1320 CB MET A 89 4.065 -5.068 -2.998 1.00 0.00 C ATOM 1321 CG MET A 89 3.749 -4.357 -1.693 1.00 0.00 C ATOM 1322 SD MET A 89 5.092 -4.473 -0.496 1.00 0.00 S ATOM 1323 CE MET A 89 5.459 -2.740 -0.229 1.00 0.00 C ATOM 0 H MET A 89 2.687 -3.200 -3.888 1.00 0.00 H new ATOM 0 HA MET A 89 3.125 -5.905 -4.741 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.522 -6.032 -2.775 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.803 -4.485 -3.550 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.539 -3.307 -1.897 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.844 -4.784 -1.261 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.407 -2.646 0.301 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.528 -2.230 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.665 -2.287 0.365 1.00 0.00 H new ATOM 1333 N VAL A 90 0.752 -5.282 -2.651 1.00 0.00 N ATOM 1334 CA VAL A 90 -0.348 -5.863 -1.889 1.00 0.00 C ATOM 1335 C VAL A 90 -1.328 -6.589 -2.804 1.00 0.00 C ATOM 1336 O VAL A 90 -1.714 -7.728 -2.542 1.00 0.00 O ATOM 1337 CB VAL A 90 -1.108 -4.788 -1.090 1.00 0.00 C ATOM 1338 CG1 VAL A 90 -2.407 -5.352 -0.537 1.00 0.00 C ATOM 1339 CG2 VAL A 90 -0.234 -4.240 0.028 1.00 0.00 C ATOM 0 H VAL A 90 0.677 -4.276 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 90 0.092 -6.577 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.356 -3.966 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.930 -4.578 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.036 -5.691 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.188 -6.192 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.786 -3.481 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.046 -5.050 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.665 -3.795 -0.398 1.00 0.00 H new ATOM 1349 N LYS A 91 -1.727 -5.921 -3.882 1.00 0.00 N ATOM 1350 CA LYS A 91 -2.662 -6.501 -4.838 1.00 0.00 C ATOM 1351 C LYS A 91 -1.997 -7.615 -5.641 1.00 0.00 C ATOM 1352 O LYS A 91 -2.659 -8.556 -6.081 1.00 0.00 O ATOM 1353 CB LYS A 91 -3.190 -5.421 -5.785 1.00 0.00 C ATOM 1354 CG LYS A 91 -4.071 -5.965 -6.898 1.00 0.00 C ATOM 1355 CD LYS A 91 -5.533 -5.997 -6.485 1.00 0.00 C ATOM 1356 CE LYS A 91 -5.792 -7.066 -5.433 1.00 0.00 C ATOM 1357 NZ LYS A 91 -7.219 -7.492 -5.416 1.00 0.00 N ATOM 0 H LYS A 91 -1.417 -4.978 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.496 -6.927 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.757 -4.690 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.345 -4.893 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.957 -5.347 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.745 -6.971 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.823 -5.022 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.155 -6.187 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.157 -7.930 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.515 -6.684 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.355 -8.221 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.823 -6.673 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.476 -7.881 -6.346 1.00 0.00 H new ATOM 1371 N ASP A 92 -0.687 -7.503 -5.827 1.00 0.00 N ATOM 1372 CA ASP A 92 0.068 -8.502 -6.575 1.00 0.00 C ATOM 1373 C ASP A 92 0.357 -9.724 -5.710 1.00 0.00 C ATOM 1374 O ASP A 92 0.300 -10.861 -6.182 1.00 0.00 O ATOM 1375 CB ASP A 92 1.378 -7.904 -7.089 1.00 0.00 C ATOM 1376 CG ASP A 92 2.002 -8.736 -8.192 1.00 0.00 C ATOM 1377 OD1 ASP A 92 2.398 -9.887 -7.915 1.00 0.00 O ATOM 1378 OD2 ASP A 92 2.092 -8.236 -9.332 1.00 0.00 O ATOM 0 H ASP A 92 -0.125 -6.730 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.537 -8.816 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.193 -6.896 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.083 -7.816 -6.262 1.00 0.00 H new ATOM 1383 N LEU A 93 0.669 -9.483 -4.441 1.00 0.00 N ATOM 1384 CA LEU A 93 0.969 -10.566 -3.509 1.00 0.00 C ATOM 1385 C LEU A 93 -0.259 -11.441 -3.278 1.00 0.00 C ATOM 1386 O LEU A 93 -0.143 -12.655 -3.106 1.00 0.00 O ATOM 1387 CB LEU A 93 1.460 -9.995 -2.176 1.00 0.00 C ATOM 1388 CG LEU A 93 2.964 -9.744 -2.068 1.00 0.00 C ATOM 1389 CD1 LEU A 93 3.289 -8.987 -0.790 1.00 0.00 C ATOM 1390 CD2 LEU A 93 3.729 -11.059 -2.121 1.00 0.00 C ATOM 0 H LEU A 93 0.721 -8.549 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 93 1.755 -11.182 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.941 -9.054 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.168 -10.680 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 93 3.273 -9.132 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.364 -8.818 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.770 -8.028 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.966 -9.572 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.798 -10.861 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.416 -11.696 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.521 -11.563 -3.065 1.00 0.00 H new ATOM 1402 N ILE A 94 -1.432 -10.817 -3.276 1.00 0.00 N ATOM 1403 CA ILE A 94 -2.680 -11.541 -3.070 1.00 0.00 C ATOM 1404 C ILE A 94 -3.109 -12.271 -4.338 1.00 0.00 C ATOM 1405 O ILE A 94 -3.602 -13.397 -4.282 1.00 0.00 O ATOM 1406 CB ILE A 94 -3.813 -10.596 -2.628 1.00 0.00 C ATOM 1407 CG1 ILE A 94 -3.521 -10.030 -1.237 1.00 0.00 C ATOM 1408 CG2 ILE A 94 -5.148 -11.325 -2.640 1.00 0.00 C ATOM 1409 CD1 ILE A 94 -4.441 -8.897 -0.839 1.00 0.00 C ATOM 0 H ILE A 94 -1.544 -9.813 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.495 -12.269 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.869 -9.767 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.606 -10.831 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.490 -9.678 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.938 -10.643 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.358 -11.683 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.106 -12.172 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.175 -8.546 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.339 -8.078 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.472 -9.250 -0.837 1.00 0.00 H new ATOM 1421 N ASN A 95 -2.915 -11.622 -5.482 1.00 0.00 N ATOM 1422 CA ASN A 95 -3.279 -12.210 -6.765 1.00 0.00 C ATOM 1423 C ASN A 95 -2.426 -13.439 -7.065 1.00 0.00 C ATOM 1424 O ASN A 95 -2.909 -14.424 -7.622 1.00 0.00 O ATOM 1425 CB ASN A 95 -3.120 -11.180 -7.886 1.00 0.00 C ATOM 1426 CG ASN A 95 -4.385 -10.378 -8.118 1.00 0.00 C ATOM 1427 OD1 ASN A 95 -5.000 -10.462 -9.182 1.00 0.00 O ATOM 1428 ND2 ASN A 95 -4.780 -9.594 -7.122 1.00 0.00 N ATOM 0 H ASN A 95 -2.508 -10.689 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.323 -12.520 -6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.303 -10.502 -7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.843 -11.691 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.624 -9.030 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.239 -9.556 -6.258 1.00 0.00 H new ATOM 1435 N ARG A 96 -1.153 -13.374 -6.687 1.00 0.00 N ATOM 1436 CA ARG A 96 -0.231 -14.480 -6.914 1.00 0.00 C ATOM 1437 C ARG A 96 -0.334 -15.512 -5.795 1.00 0.00 C ATOM 1438 O ARG A 96 0.102 -16.654 -5.947 1.00 0.00 O ATOM 1439 CB ARG A 96 1.205 -13.963 -7.015 1.00 0.00 C ATOM 1440 CG ARG A 96 1.682 -13.241 -5.766 1.00 0.00 C ATOM 1441 CD ARG A 96 2.367 -14.194 -4.798 1.00 0.00 C ATOM 1442 NE ARG A 96 3.591 -14.758 -5.360 1.00 0.00 N ATOM 1443 CZ ARG A 96 4.532 -15.346 -4.630 1.00 0.00 C ATOM 1444 NH1 ARG A 96 4.389 -15.447 -3.316 1.00 0.00 N ATOM 1445 NH2 ARG A 96 5.617 -15.836 -5.214 1.00 0.00 N ATOM 0 H ARG A 96 -0.737 -12.567 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.504 -14.960 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.871 -14.802 -7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.279 -13.286 -7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.373 -12.446 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.834 -12.767 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.602 -13.665 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.682 -15.001 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 96 3.731 -14.697 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.555 -15.073 -2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.113 -15.899 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.730 -15.762 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.339 -16.287 -4.652 1.00 0.00 H new ATOM 1459 N SER A 97 -0.911 -15.102 -4.671 1.00 0.00 N ATOM 1460 CA SER A 97 -1.067 -15.989 -3.524 1.00 0.00 C ATOM 1461 C SER A 97 -2.208 -16.975 -3.751 1.00 0.00 C ATOM 1462 O SER A 97 -3.370 -16.672 -3.481 1.00 0.00 O ATOM 1463 CB SER A 97 -1.326 -15.175 -2.254 1.00 0.00 C ATOM 1464 OG SER A 97 -0.110 -14.813 -1.623 1.00 0.00 O ATOM 0 H SER A 97 -1.278 -14.161 -4.530 1.00 0.00 H new ATOM 0 HA SER A 97 -0.142 -16.552 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.891 -14.277 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.938 -15.756 -1.564 1.00 0.00 H new ATOM 0 HG SER A 97 0.202 -13.956 -1.981 1.00 0.00 H new ATOM 1470 N GLY A 98 -1.868 -18.160 -4.250 1.00 0.00 N ATOM 1471 CA GLY A 98 -2.874 -19.174 -4.506 1.00 0.00 C ATOM 1472 C GLY A 98 -2.496 -20.090 -5.652 1.00 0.00 C ATOM 1473 O GLY A 98 -1.733 -19.720 -6.545 1.00 0.00 O ATOM 0 H GLY A 98 -0.914 -18.436 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.024 -19.768 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.824 -18.690 -4.730 1.00 0.00 H new ATOM 1477 N PRO A 99 -3.035 -21.319 -5.637 1.00 0.00 N ATOM 1478 CA PRO A 99 -2.761 -22.316 -6.675 1.00 0.00 C ATOM 1479 C PRO A 99 -3.395 -21.949 -8.012 1.00 0.00 C ATOM 1480 O PRO A 99 -2.883 -22.307 -9.073 1.00 0.00 O ATOM 1481 CB PRO A 99 -3.395 -23.592 -6.116 1.00 0.00 C ATOM 1482 CG PRO A 99 -4.462 -23.113 -5.193 1.00 0.00 C ATOM 1483 CD PRO A 99 -3.952 -21.827 -4.604 1.00 0.00 C ATOM 0 HA PRO A 99 -1.695 -22.408 -6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.809 -24.210 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.660 -24.201 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.398 -22.953 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.662 -23.847 -4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.763 -21.126 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.438 -21.994 -3.658 1.00 0.00 H new ATOM 1491 N SER A 100 -4.513 -21.232 -7.955 1.00 0.00 N ATOM 1492 CA SER A 100 -5.219 -20.818 -9.163 1.00 0.00 C ATOM 1493 C SER A 100 -4.242 -20.293 -10.210 1.00 0.00 C ATOM 1494 O SER A 100 -3.221 -19.692 -9.877 1.00 0.00 O ATOM 1495 CB SER A 100 -6.255 -19.743 -8.830 1.00 0.00 C ATOM 1496 OG SER A 100 -7.239 -20.241 -7.941 1.00 0.00 O ATOM 0 H SER A 100 -4.950 -20.926 -7.086 1.00 0.00 H new ATOM 0 HA SER A 100 -5.729 -21.689 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.759 -18.882 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.731 -19.396 -9.747 1.00 0.00 H new ATOM 0 HG SER A 100 -7.888 -19.534 -7.743 1.00 0.00 H new ATOM 1502 N SER A 101 -4.563 -20.525 -11.480 1.00 0.00 N ATOM 1503 CA SER A 101 -3.712 -20.079 -12.576 1.00 0.00 C ATOM 1504 C SER A 101 -4.552 -19.664 -13.780 1.00 0.00 C ATOM 1505 O SER A 101 -5.457 -20.385 -14.199 1.00 0.00 O ATOM 1506 CB SER A 101 -2.738 -21.188 -12.978 1.00 0.00 C ATOM 1507 OG SER A 101 -1.751 -21.386 -11.981 1.00 0.00 O ATOM 0 H SER A 101 -5.406 -21.019 -11.774 1.00 0.00 H new ATOM 0 HA SER A 101 -3.144 -19.214 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.286 -22.116 -13.141 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.259 -20.931 -13.923 1.00 0.00 H new ATOM 0 HG SER A 101 -2.173 -21.735 -11.168 1.00 0.00 H new ATOM 1513 N GLY A 102 -4.244 -18.494 -14.334 1.00 0.00 N ATOM 1514 CA GLY A 102 -4.979 -18.002 -15.484 1.00 0.00 C ATOM 1515 C GLY A 102 -5.096 -16.490 -15.495 1.00 0.00 C ATOM 1516 O GLY A 102 -4.927 -15.841 -14.462 1.00 0.00 O ATOM 0 H GLY A 102 -3.499 -17.879 -14.006 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.482 -18.331 -16.397 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.977 -18.440 -15.488 1.00 0.00 H new TER 1520 GLY A 102