USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 14 THR OG1 : rot 88:sc= 0.352 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.209 K(o=0.56,f=-0.56) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0451 (180deg=-0.00129) 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 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.341 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 21 THR OG1 : rot -142:sc= -0.184 USER MOD Single : A 27 GLN : amide:sc= -0.0082 X(o=-0.0082,f=-0.023) USER MOD Single : A 28 MET CE :methyl -167:sc= -0.0336 (180deg=-0.0639) USER MOD Single : A 29 ASN : amide:sc= -5.11! C(o=-5.1!,f=-20!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.62 (180deg=-1.24) USER MOD Single : A 36 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-0.84) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -150:sc= -0.213 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -4.76! C(o=-4.8!,f=-11!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00874 K(o=-0.0087,f=-1.6) USER MOD Single : A 58 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.25) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-0.95) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.83) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.790 -14.710 -5.315 1.00 0.00 N ATOM 2 CA GLY A 1 0.719 -15.679 -6.395 1.00 0.00 C ATOM 3 C GLY A 1 -0.210 -16.839 -6.031 1.00 0.00 C ATOM 4 O GLY A 1 -1.179 -16.655 -5.297 1.00 0.00 O ATOM 0 H1 GLY A 1 0.759 -13.748 -5.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.016 -14.847 -4.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.678 -14.841 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.361 -15.192 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.717 -16.061 -6.611 1.00 0.00 H new ATOM 8 N SER A 2 0.118 -18.007 -6.563 1.00 0.00 N ATOM 9 CA SER A 2 -0.676 -19.197 -6.303 1.00 0.00 C ATOM 10 C SER A 2 0.242 -20.402 -6.090 1.00 0.00 C ATOM 11 O SER A 2 0.425 -21.216 -6.994 1.00 0.00 O ATOM 12 CB SER A 2 -1.651 -19.469 -7.450 1.00 0.00 C ATOM 13 OG SER A 2 -2.851 -20.089 -6.994 1.00 0.00 O ATOM 0 H SER A 2 0.922 -18.155 -7.173 1.00 0.00 H new ATOM 0 HA SER A 2 -1.259 -19.028 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.894 -18.531 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.171 -20.109 -8.190 1.00 0.00 H new ATOM 0 HG SER A 2 -3.448 -20.245 -7.755 1.00 0.00 H new ATOM 19 N SER A 3 0.796 -20.478 -4.889 1.00 0.00 N ATOM 20 CA SER A 3 1.691 -21.570 -4.545 1.00 0.00 C ATOM 21 C SER A 3 2.918 -21.548 -5.458 1.00 0.00 C ATOM 22 O SER A 3 2.788 -21.593 -6.680 1.00 0.00 O ATOM 23 CB SER A 3 0.977 -22.920 -4.648 1.00 0.00 C ATOM 24 OG SER A 3 1.771 -23.984 -4.129 1.00 0.00 O ATOM 0 H SER A 3 0.642 -19.801 -4.142 1.00 0.00 H new ATOM 0 HA SER A 3 2.012 -21.437 -3.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.033 -22.873 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.735 -23.124 -5.691 1.00 0.00 H new ATOM 0 HG SER A 3 1.280 -24.828 -4.211 1.00 0.00 H new ATOM 30 N GLY A 4 4.083 -21.480 -4.829 1.00 0.00 N ATOM 31 CA GLY A 4 5.333 -21.451 -5.570 1.00 0.00 C ATOM 32 C GLY A 4 5.216 -20.561 -6.809 1.00 0.00 C ATOM 33 O GLY A 4 4.805 -21.023 -7.872 1.00 0.00 O ATOM 0 H GLY A 4 4.187 -21.444 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.132 -21.082 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.606 -22.463 -5.869 1.00 0.00 H new ATOM 37 N SER A 5 5.584 -19.301 -6.629 1.00 0.00 N ATOM 38 CA SER A 5 5.525 -18.342 -7.720 1.00 0.00 C ATOM 39 C SER A 5 6.225 -17.044 -7.313 1.00 0.00 C ATOM 40 O SER A 5 5.721 -16.300 -6.472 1.00 0.00 O ATOM 41 CB SER A 5 4.078 -18.060 -8.128 1.00 0.00 C ATOM 42 OG SER A 5 4.001 -17.289 -9.324 1.00 0.00 O ATOM 0 H SER A 5 5.924 -18.922 -5.745 1.00 0.00 H new ATOM 0 HA SER A 5 6.039 -18.770 -8.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.551 -19.003 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.571 -17.530 -7.322 1.00 0.00 H new ATOM 0 HG SER A 5 3.061 -17.132 -9.552 1.00 0.00 H new ATOM 48 N SER A 6 7.374 -16.810 -7.928 1.00 0.00 N ATOM 49 CA SER A 6 8.148 -15.615 -7.641 1.00 0.00 C ATOM 50 C SER A 6 7.231 -14.390 -7.620 1.00 0.00 C ATOM 51 O SER A 6 6.087 -14.460 -8.065 1.00 0.00 O ATOM 52 CB SER A 6 9.267 -15.423 -8.666 1.00 0.00 C ATOM 53 OG SER A 6 10.429 -16.179 -8.337 1.00 0.00 O ATOM 0 H SER A 6 7.788 -17.429 -8.625 1.00 0.00 H new ATOM 0 HA SER A 6 8.608 -15.734 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.910 -15.719 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.527 -14.366 -8.725 1.00 0.00 H new ATOM 0 HG SER A 6 11.119 -16.030 -9.017 1.00 0.00 H new ATOM 59 N GLY A 7 7.768 -13.297 -7.098 1.00 0.00 N ATOM 60 CA GLY A 7 7.012 -12.059 -7.014 1.00 0.00 C ATOM 61 C GLY A 7 7.557 -11.159 -5.903 1.00 0.00 C ATOM 62 O GLY A 7 8.337 -11.606 -5.063 1.00 0.00 O ATOM 0 H GLY A 7 8.717 -13.243 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.059 -11.534 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.962 -12.282 -6.824 1.00 0.00 H new ATOM 66 N LEU A 8 7.126 -9.906 -5.935 1.00 0.00 N ATOM 67 CA LEU A 8 7.561 -8.939 -4.942 1.00 0.00 C ATOM 68 C LEU A 8 6.511 -8.848 -3.832 1.00 0.00 C ATOM 69 O LEU A 8 5.321 -8.710 -4.108 1.00 0.00 O ATOM 70 CB LEU A 8 7.874 -7.596 -5.603 1.00 0.00 C ATOM 71 CG LEU A 8 8.364 -6.487 -4.670 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.598 -5.790 -5.247 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.240 -5.497 -4.357 1.00 0.00 C ATOM 0 H LEU A 8 6.480 -9.539 -6.633 1.00 0.00 H new ATOM 0 HA LEU A 8 8.492 -9.263 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.631 -7.759 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.976 -7.246 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 8 8.664 -6.942 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.926 -5.006 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.400 -6.517 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.349 -5.349 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.615 -4.719 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.886 -5.043 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.417 -6.022 -3.873 1.00 0.00 H new ATOM 85 N GLU A 9 6.992 -8.929 -2.600 1.00 0.00 N ATOM 86 CA GLU A 9 6.110 -8.858 -1.447 1.00 0.00 C ATOM 87 C GLU A 9 6.019 -7.418 -0.937 1.00 0.00 C ATOM 88 O GLU A 9 6.978 -6.656 -1.043 1.00 0.00 O ATOM 89 CB GLU A 9 6.579 -9.802 -0.338 1.00 0.00 C ATOM 90 CG GLU A 9 5.511 -9.945 0.749 1.00 0.00 C ATOM 91 CD GLU A 9 5.962 -10.924 1.834 1.00 0.00 C ATOM 92 OE1 GLU A 9 6.681 -11.880 1.473 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.577 -10.694 3.001 1.00 0.00 O ATOM 0 H GLU A 9 7.980 -9.043 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 9 5.115 -9.179 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.806 -10.781 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.502 -9.423 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.308 -8.971 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.579 -10.293 0.304 1.00 0.00 H new ATOM 100 N VAL A 10 4.855 -7.088 -0.396 1.00 0.00 N ATOM 101 CA VAL A 10 4.626 -5.753 0.130 1.00 0.00 C ATOM 102 C VAL A 10 3.692 -5.840 1.339 1.00 0.00 C ATOM 103 O VAL A 10 2.641 -6.475 1.272 1.00 0.00 O ATOM 104 CB VAL A 10 4.090 -4.840 -0.975 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.912 -3.409 -0.465 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.001 -4.875 -2.204 1.00 0.00 C ATOM 0 H VAL A 10 4.061 -7.722 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 10 5.562 -5.311 0.473 1.00 0.00 H new ATOM 0 HB VAL A 10 3.110 -5.213 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.530 -2.781 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.206 -3.404 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.873 -3.021 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.598 -4.218 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.000 -4.538 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.055 -5.894 -2.588 1.00 0.00 H new ATOM 116 N LEU A 11 4.110 -5.192 2.417 1.00 0.00 N ATOM 117 CA LEU A 11 3.324 -5.187 3.639 1.00 0.00 C ATOM 118 C LEU A 11 2.631 -3.832 3.790 1.00 0.00 C ATOM 119 O LEU A 11 2.936 -2.890 3.059 1.00 0.00 O ATOM 120 CB LEU A 11 4.195 -5.570 4.837 1.00 0.00 C ATOM 121 CG LEU A 11 4.718 -7.007 4.854 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.666 -7.260 3.680 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.371 -7.337 6.199 1.00 0.00 C ATOM 0 H LEU A 11 4.983 -4.667 2.469 1.00 0.00 H new ATOM 0 HA LEU A 11 2.539 -5.942 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.049 -4.893 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.619 -5.403 5.747 1.00 0.00 H new ATOM 0 HG LEU A 11 3.869 -7.680 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.023 -8.289 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.137 -7.092 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.515 -6.579 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.734 -8.365 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.206 -6.659 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.638 -7.223 6.997 1.00 0.00 H new ATOM 135 N VAL A 12 1.712 -3.775 4.742 1.00 0.00 N ATOM 136 CA VAL A 12 0.973 -2.550 4.998 1.00 0.00 C ATOM 137 C VAL A 12 0.485 -2.548 6.448 1.00 0.00 C ATOM 138 O VAL A 12 -0.289 -3.416 6.848 1.00 0.00 O ATOM 139 CB VAL A 12 -0.163 -2.403 3.985 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.163 -1.335 4.433 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.384 -2.091 2.590 1.00 0.00 C ATOM 0 H VAL A 12 1.462 -4.558 5.346 1.00 0.00 H new ATOM 0 HA VAL A 12 1.618 -1.681 4.871 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.691 -3.355 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.960 -1.251 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.588 -1.616 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.653 -0.376 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.444 -1.991 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.948 -1.159 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.038 -2.900 2.266 1.00 0.00 H new ATOM 151 N LYS A 13 0.958 -1.562 7.197 1.00 0.00 N ATOM 152 CA LYS A 13 0.579 -1.436 8.594 1.00 0.00 C ATOM 153 C LYS A 13 -0.406 -0.275 8.747 1.00 0.00 C ATOM 154 O LYS A 13 -0.293 0.736 8.055 1.00 0.00 O ATOM 155 CB LYS A 13 1.822 -1.308 9.477 1.00 0.00 C ATOM 156 CG LYS A 13 1.483 -1.580 10.944 1.00 0.00 C ATOM 157 CD LYS A 13 2.276 -0.656 11.870 1.00 0.00 C ATOM 158 CE LYS A 13 1.380 -0.078 12.967 1.00 0.00 C ATOM 159 NZ LYS A 13 1.394 1.401 12.922 1.00 0.00 N ATOM 0 H LYS A 13 1.600 -0.843 6.863 1.00 0.00 H new ATOM 0 HA LYS A 13 0.067 -2.337 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.585 -2.009 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.242 -0.307 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.415 -1.435 11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.704 -2.620 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.100 -1.208 12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.716 0.155 11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.360 -0.442 12.841 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.723 -0.421 13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.781 1.777 13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.366 1.743 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.045 1.723 11.997 1.00 0.00 H new ATOM 173 N THR A 14 -1.350 -0.459 9.659 1.00 0.00 N ATOM 174 CA THR A 14 -2.354 0.561 9.912 1.00 0.00 C ATOM 175 C THR A 14 -2.406 0.900 11.403 1.00 0.00 C ATOM 176 O THR A 14 -1.603 0.395 12.186 1.00 0.00 O ATOM 177 CB THR A 14 -3.689 0.058 9.357 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.948 -1.131 10.099 1.00 0.00 O ATOM 179 CG2 THR A 14 -3.576 -0.424 7.909 1.00 0.00 C ATOM 0 H THR A 14 -1.441 -1.298 10.231 1.00 0.00 H new ATOM 0 HA THR A 14 -2.106 1.494 9.407 1.00 0.00 H new ATOM 0 HB THR A 14 -4.431 0.854 9.418 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.429 -0.905 10.922 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.550 -0.770 7.564 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.238 0.398 7.277 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.859 -1.243 7.853 1.00 0.00 H new ATOM 187 N LEU A 15 -3.358 1.754 11.750 1.00 0.00 N ATOM 188 CA LEU A 15 -3.524 2.166 13.133 1.00 0.00 C ATOM 189 C LEU A 15 -3.717 0.928 14.011 1.00 0.00 C ATOM 190 O LEU A 15 -3.039 0.770 15.025 1.00 0.00 O ATOM 191 CB LEU A 15 -4.656 3.188 13.255 1.00 0.00 C ATOM 192 CG LEU A 15 -4.352 4.592 12.727 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.456 5.361 13.700 1.00 0.00 C ATOM 194 CD2 LEU A 15 -3.753 4.531 11.321 1.00 0.00 C ATOM 0 H LEU A 15 -4.022 2.171 11.098 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.627 2.673 13.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.526 2.802 12.724 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.934 3.269 14.306 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.291 5.140 12.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.255 6.355 13.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.958 5.451 14.663 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.516 4.825 13.830 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.546 5.542 10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.826 3.959 11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.459 4.049 10.645 1.00 0.00 H new ATOM 206 N ASP A 16 -4.645 0.082 13.589 1.00 0.00 N ATOM 207 CA ASP A 16 -4.935 -1.138 14.324 1.00 0.00 C ATOM 208 C ASP A 16 -3.652 -1.957 14.471 1.00 0.00 C ATOM 209 O ASP A 16 -3.492 -2.698 15.440 1.00 0.00 O ATOM 210 CB ASP A 16 -5.962 -1.996 13.583 1.00 0.00 C ATOM 211 CG ASP A 16 -7.389 -1.913 14.128 1.00 0.00 C ATOM 212 OD1 ASP A 16 -7.832 -0.773 14.387 1.00 0.00 O ATOM 213 OD2 ASP A 16 -8.004 -2.991 14.275 1.00 0.00 O ATOM 0 H ASP A 16 -5.206 0.217 12.748 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.335 -0.858 15.298 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.972 -1.699 12.534 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.636 -3.036 13.617 1.00 0.00 H new ATOM 218 N SER A 17 -2.769 -1.796 13.496 1.00 0.00 N ATOM 219 CA SER A 17 -1.505 -2.512 13.505 1.00 0.00 C ATOM 220 C SER A 17 -1.726 -3.970 13.098 1.00 0.00 C ATOM 221 O SER A 17 -1.446 -4.884 13.872 1.00 0.00 O ATOM 222 CB SER A 17 -0.841 -2.440 14.881 1.00 0.00 C ATOM 223 OG SER A 17 -1.126 -1.213 15.548 1.00 0.00 O ATOM 0 H SER A 17 -2.904 -1.180 12.694 1.00 0.00 H new ATOM 0 HA SER A 17 -0.839 -2.038 12.785 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.185 -3.274 15.493 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.238 -2.550 14.769 1.00 0.00 H new ATOM 0 HG SER A 17 -0.686 -1.207 16.423 1.00 0.00 H new ATOM 229 N GLN A 18 -2.227 -4.143 11.884 1.00 0.00 N ATOM 230 CA GLN A 18 -2.489 -5.474 11.365 1.00 0.00 C ATOM 231 C GLN A 18 -1.677 -5.717 10.091 1.00 0.00 C ATOM 232 O GLN A 18 -2.243 -5.963 9.027 1.00 0.00 O ATOM 233 CB GLN A 18 -3.984 -5.679 11.109 1.00 0.00 C ATOM 234 CG GLN A 18 -4.485 -4.744 10.007 1.00 0.00 C ATOM 235 CD GLN A 18 -5.973 -4.436 10.183 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.825 -5.307 10.122 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.237 -3.151 10.405 1.00 0.00 N ATOM 0 H GLN A 18 -2.459 -3.383 11.245 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.179 -6.202 12.115 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.169 -6.715 10.824 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.542 -5.496 12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.913 -3.816 10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.318 -5.203 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.476 -2.473 10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.201 -2.844 10.536 1.00 0.00 H new ATOM 246 N THR A 19 -0.363 -5.639 10.241 1.00 0.00 N ATOM 247 CA THR A 19 0.532 -5.847 9.116 1.00 0.00 C ATOM 248 C THR A 19 0.013 -6.975 8.222 1.00 0.00 C ATOM 249 O THR A 19 -0.210 -8.090 8.691 1.00 0.00 O ATOM 250 CB THR A 19 1.935 -6.107 9.670 1.00 0.00 C ATOM 251 OG1 THR A 19 2.126 -5.072 10.630 1.00 0.00 O ATOM 252 CG2 THR A 19 3.030 -5.859 8.630 1.00 0.00 C ATOM 0 H THR A 19 0.103 -5.435 11.125 1.00 0.00 H new ATOM 0 HA THR A 19 0.577 -4.964 8.478 1.00 0.00 H new ATOM 0 HB THR A 19 2.000 -7.135 10.027 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.011 -5.166 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.005 -6.058 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.878 -6.520 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.987 -4.822 8.297 1.00 0.00 H new ATOM 260 N ARG A 20 -0.165 -6.645 6.951 1.00 0.00 N ATOM 261 CA ARG A 20 -0.654 -7.617 5.988 1.00 0.00 C ATOM 262 C ARG A 20 0.317 -7.732 4.811 1.00 0.00 C ATOM 263 O ARG A 20 0.588 -6.747 4.126 1.00 0.00 O ATOM 264 CB ARG A 20 -2.036 -7.224 5.463 1.00 0.00 C ATOM 265 CG ARG A 20 -3.142 -7.764 6.373 1.00 0.00 C ATOM 266 CD ARG A 20 -4.431 -6.956 6.208 1.00 0.00 C ATOM 267 NE ARG A 20 -5.342 -7.219 7.344 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.025 -8.359 7.511 1.00 0.00 C ATOM 269 NH1 ARG A 20 -5.904 -9.349 6.616 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.829 -8.510 8.572 1.00 0.00 N ATOM 0 H ARG A 20 0.021 -5.719 6.566 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.730 -8.578 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.110 -6.138 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.169 -7.612 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.332 -8.811 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.815 -7.725 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.199 -5.892 6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.919 -7.222 5.270 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.457 -6.486 8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.292 -9.234 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.424 -10.217 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.921 -7.757 9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.349 -9.378 8.698 1.00 0.00 H new ATOM 284 N THR A 21 0.814 -8.944 4.612 1.00 0.00 N ATOM 285 CA THR A 21 1.749 -9.201 3.529 1.00 0.00 C ATOM 286 C THR A 21 0.999 -9.375 2.207 1.00 0.00 C ATOM 287 O THR A 21 -0.029 -10.048 2.157 1.00 0.00 O ATOM 288 CB THR A 21 2.595 -10.416 3.913 1.00 0.00 C ATOM 289 OG1 THR A 21 3.803 -9.854 4.418 1.00 0.00 O ATOM 290 CG2 THR A 21 3.042 -11.227 2.695 1.00 0.00 C ATOM 0 H THR A 21 0.587 -9.759 5.182 1.00 0.00 H new ATOM 0 HA THR A 21 2.420 -8.356 3.376 1.00 0.00 H new ATOM 0 HB THR A 21 2.025 -11.056 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.563 -10.404 4.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.639 -12.078 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.166 -11.586 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.640 -10.596 2.037 1.00 0.00 H new ATOM 298 N PHE A 22 1.543 -8.757 1.169 1.00 0.00 N ATOM 299 CA PHE A 22 0.939 -8.836 -0.150 1.00 0.00 C ATOM 300 C PHE A 22 1.982 -9.194 -1.211 1.00 0.00 C ATOM 301 O PHE A 22 3.101 -8.685 -1.183 1.00 0.00 O ATOM 302 CB PHE A 22 0.366 -7.452 -0.462 1.00 0.00 C ATOM 303 CG PHE A 22 -0.837 -7.067 0.401 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.996 -7.770 0.305 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.746 -6.020 1.266 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.112 -7.413 1.107 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.862 -5.663 2.068 1.00 0.00 C ATOM 308 CZ PHE A 22 -3.022 -6.367 1.972 1.00 0.00 C ATOM 0 H PHE A 22 2.396 -8.199 1.215 1.00 0.00 H new ATOM 0 HA PHE A 22 0.169 -9.608 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.150 -6.707 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.072 -7.420 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.068 -8.601 -0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.175 -5.461 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.033 -7.972 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.790 -4.832 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.871 -6.096 2.582 1.00 0.00 H new ATOM 318 N ILE A 23 1.577 -10.069 -2.120 1.00 0.00 N ATOM 319 CA ILE A 23 2.462 -10.501 -3.188 1.00 0.00 C ATOM 320 C ILE A 23 1.970 -9.926 -4.517 1.00 0.00 C ATOM 321 O ILE A 23 0.980 -10.399 -5.074 1.00 0.00 O ATOM 322 CB ILE A 23 2.595 -12.026 -3.189 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.215 -12.523 -1.881 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.378 -12.507 -4.413 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.741 -12.428 -1.926 1.00 0.00 C ATOM 0 H ILE A 23 0.648 -10.490 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 23 3.469 -10.116 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 23 1.596 -12.456 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.835 -11.933 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.917 -13.556 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.458 -13.594 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.858 -12.201 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.376 -12.069 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.156 -12.787 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.120 -13.039 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.037 -11.390 -2.080 1.00 0.00 H new ATOM 337 N VAL A 24 2.684 -8.914 -4.988 1.00 0.00 N ATOM 338 CA VAL A 24 2.332 -8.270 -6.242 1.00 0.00 C ATOM 339 C VAL A 24 3.578 -8.166 -7.124 1.00 0.00 C ATOM 340 O VAL A 24 4.699 -8.306 -6.640 1.00 0.00 O ATOM 341 CB VAL A 24 1.679 -6.914 -5.968 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.349 -7.085 -5.230 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.624 -5.997 -5.189 1.00 0.00 C ATOM 0 H VAL A 24 3.504 -8.524 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 24 1.598 -8.866 -6.785 1.00 0.00 H new ATOM 0 HB VAL A 24 1.471 -6.442 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.094 -6.106 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.330 -7.683 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.523 -7.588 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.135 -5.040 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.878 -6.461 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.534 -5.836 -5.768 1.00 0.00 H new ATOM 353 N GLY A 25 3.339 -7.920 -8.404 1.00 0.00 N ATOM 354 CA GLY A 25 4.427 -7.796 -9.358 1.00 0.00 C ATOM 355 C GLY A 25 5.241 -6.527 -9.099 1.00 0.00 C ATOM 356 O GLY A 25 4.691 -5.427 -9.067 1.00 0.00 O ATOM 0 H GLY A 25 2.407 -7.803 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.076 -8.669 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.026 -7.775 -10.371 1.00 0.00 H new ATOM 360 N ALA A 26 6.540 -6.721 -8.920 1.00 0.00 N ATOM 361 CA ALA A 26 7.435 -5.606 -8.664 1.00 0.00 C ATOM 362 C ALA A 26 7.180 -4.506 -9.696 1.00 0.00 C ATOM 363 O ALA A 26 7.447 -3.333 -9.437 1.00 0.00 O ATOM 364 CB ALA A 26 8.883 -6.099 -8.683 1.00 0.00 C ATOM 0 H ALA A 26 6.994 -7.634 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 26 7.248 -5.182 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.555 -5.262 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.019 -6.858 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.108 -6.528 -9.659 1.00 0.00 H new ATOM 370 N GLN A 27 6.668 -4.923 -10.844 1.00 0.00 N ATOM 371 CA GLN A 27 6.374 -3.988 -11.917 1.00 0.00 C ATOM 372 C GLN A 27 5.118 -3.178 -11.586 1.00 0.00 C ATOM 373 O GLN A 27 5.034 -1.995 -11.913 1.00 0.00 O ATOM 374 CB GLN A 27 6.221 -4.716 -13.253 1.00 0.00 C ATOM 375 CG GLN A 27 7.587 -5.014 -13.875 1.00 0.00 C ATOM 376 CD GLN A 27 7.659 -6.459 -14.374 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.786 -6.945 -15.074 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.745 -7.115 -13.977 1.00 0.00 N ATOM 0 H GLN A 27 6.449 -5.897 -11.055 1.00 0.00 H new ATOM 0 HA GLN A 27 7.213 -3.299 -12.011 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.675 -5.647 -13.103 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.631 -4.107 -13.938 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.770 -4.330 -14.704 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.372 -4.840 -13.139 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.437 -6.648 -13.391 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.886 -8.085 -14.258 1.00 0.00 H new ATOM 387 N MET A 28 4.174 -3.849 -10.943 1.00 0.00 N ATOM 388 CA MET A 28 2.926 -3.207 -10.564 1.00 0.00 C ATOM 389 C MET A 28 3.169 -1.772 -10.092 1.00 0.00 C ATOM 390 O MET A 28 4.231 -1.464 -9.553 1.00 0.00 O ATOM 391 CB MET A 28 2.259 -4.008 -9.445 1.00 0.00 C ATOM 392 CG MET A 28 0.962 -3.336 -8.988 1.00 0.00 C ATOM 393 SD MET A 28 0.225 -4.272 -7.659 1.00 0.00 S ATOM 394 CE MET A 28 -0.620 -5.532 -8.599 1.00 0.00 C ATOM 0 H MET A 28 4.248 -4.830 -10.675 1.00 0.00 H new ATOM 0 HA MET A 28 2.275 -3.176 -11.438 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.046 -5.019 -9.793 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.943 -4.099 -8.601 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.167 -2.318 -8.657 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.266 -3.265 -9.824 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.317 -6.064 -7.951 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.169 -5.068 -9.419 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.109 -6.235 -9.002 1.00 0.00 H new ATOM 404 N ASN A 29 2.167 -0.933 -10.310 1.00 0.00 N ATOM 405 CA ASN A 29 2.259 0.462 -9.913 1.00 0.00 C ATOM 406 C ASN A 29 1.477 0.670 -8.615 1.00 0.00 C ATOM 407 O ASN A 29 0.590 -0.117 -8.287 1.00 0.00 O ATOM 408 CB ASN A 29 1.657 1.379 -10.980 1.00 0.00 C ATOM 409 CG ASN A 29 0.340 0.811 -11.511 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.189 -0.380 -11.727 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.604 1.727 -11.709 1.00 0.00 N ATOM 0 H ASN A 29 1.287 -1.192 -10.756 1.00 0.00 H new ATOM 0 HA ASN A 29 3.313 0.707 -9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.486 2.370 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.363 1.499 -11.802 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.519 1.448 -12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.412 2.708 -11.508 1.00 0.00 H new ATOM 418 N VAL A 30 1.834 1.734 -7.911 1.00 0.00 N ATOM 419 CA VAL A 30 1.177 2.056 -6.656 1.00 0.00 C ATOM 420 C VAL A 30 -0.338 1.928 -6.830 1.00 0.00 C ATOM 421 O VAL A 30 -0.996 1.220 -6.070 1.00 0.00 O ATOM 422 CB VAL A 30 1.608 3.445 -6.180 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.836 3.859 -4.926 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.118 3.497 -5.937 1.00 0.00 C ATOM 0 H VAL A 30 2.570 2.384 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 30 1.476 1.353 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 30 1.371 4.158 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.162 4.850 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.231 3.881 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.027 3.142 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.398 4.495 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.389 2.767 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.644 3.267 -6.864 1.00 0.00 H new ATOM 434 N LYS A 31 -0.846 2.624 -7.837 1.00 0.00 N ATOM 435 CA LYS A 31 -2.271 2.596 -8.121 1.00 0.00 C ATOM 436 C LYS A 31 -2.768 1.150 -8.078 1.00 0.00 C ATOM 437 O LYS A 31 -3.590 0.796 -7.235 1.00 0.00 O ATOM 438 CB LYS A 31 -2.568 3.310 -9.441 1.00 0.00 C ATOM 439 CG LYS A 31 -4.049 3.191 -9.808 1.00 0.00 C ATOM 440 CD LYS A 31 -4.916 4.026 -8.863 1.00 0.00 C ATOM 441 CE LYS A 31 -4.894 5.503 -9.260 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.206 5.912 -9.808 1.00 0.00 N ATOM 0 H LYS A 31 -0.297 3.210 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.822 3.145 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.293 4.362 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.957 2.882 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.201 3.523 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.356 2.146 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.941 3.656 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.556 3.915 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.649 6.115 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.114 5.675 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.174 6.917 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.425 5.340 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.943 5.767 -9.089 1.00 0.00 H new ATOM 456 N GLU A 32 -2.247 0.352 -8.999 1.00 0.00 N ATOM 457 CA GLU A 32 -2.627 -1.049 -9.077 1.00 0.00 C ATOM 458 C GLU A 32 -2.617 -1.680 -7.684 1.00 0.00 C ATOM 459 O GLU A 32 -3.620 -2.242 -7.246 1.00 0.00 O ATOM 460 CB GLU A 32 -1.708 -1.814 -10.032 1.00 0.00 C ATOM 461 CG GLU A 32 -2.173 -1.661 -11.481 1.00 0.00 C ATOM 462 CD GLU A 32 -1.336 -2.531 -12.420 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.943 -3.631 -11.975 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.108 -2.077 -13.562 1.00 0.00 O ATOM 0 H GLU A 32 -1.565 0.649 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.640 -1.109 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.687 -1.445 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.693 -2.870 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.224 -1.940 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.097 -0.616 -11.783 1.00 0.00 H new ATOM 471 N PHE A 33 -1.474 -1.566 -7.025 1.00 0.00 N ATOM 472 CA PHE A 33 -1.321 -2.118 -5.689 1.00 0.00 C ATOM 473 C PHE A 33 -2.482 -1.698 -4.786 1.00 0.00 C ATOM 474 O PHE A 33 -3.001 -2.508 -4.019 1.00 0.00 O ATOM 475 CB PHE A 33 -0.017 -1.556 -5.119 1.00 0.00 C ATOM 476 CG PHE A 33 0.410 -2.195 -3.797 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.814 -3.493 -3.768 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.387 -1.465 -2.649 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.211 -4.087 -2.540 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.783 -2.058 -1.422 1.00 0.00 C ATOM 481 CZ PHE A 33 1.187 -3.357 -1.393 1.00 0.00 C ATOM 0 H PHE A 33 -0.644 -1.099 -7.391 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.308 -3.207 -5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.778 -1.696 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.130 -0.482 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.833 -4.073 -4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.067 -0.434 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.532 -5.118 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.764 -1.478 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.489 -3.808 -0.459 1.00 0.00 H new ATOM 491 N LYS A 34 -2.855 -0.432 -4.906 1.00 0.00 N ATOM 492 CA LYS A 34 -3.945 0.105 -4.110 1.00 0.00 C ATOM 493 C LYS A 34 -5.231 -0.659 -4.432 1.00 0.00 C ATOM 494 O LYS A 34 -5.966 -1.053 -3.528 1.00 0.00 O ATOM 495 CB LYS A 34 -4.061 1.617 -4.311 1.00 0.00 C ATOM 496 CG LYS A 34 -2.834 2.340 -3.753 1.00 0.00 C ATOM 497 CD LYS A 34 -3.176 3.780 -3.362 1.00 0.00 C ATOM 498 CE LYS A 34 -1.930 4.666 -3.391 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.002 5.696 -2.329 1.00 0.00 N ATOM 0 H LYS A 34 -2.422 0.237 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.747 -0.038 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.167 1.839 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.960 1.985 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.456 1.803 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.038 2.341 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.926 4.178 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.614 3.795 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.038 4.055 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.840 5.146 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.052 6.083 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.639 6.461 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.366 5.268 -1.454 1.00 0.00 H new ATOM 513 N GLU A 35 -5.464 -0.844 -5.723 1.00 0.00 N ATOM 514 CA GLU A 35 -6.649 -1.553 -6.176 1.00 0.00 C ATOM 515 C GLU A 35 -6.574 -3.026 -5.769 1.00 0.00 C ATOM 516 O GLU A 35 -7.597 -3.651 -5.495 1.00 0.00 O ATOM 517 CB GLU A 35 -6.828 -1.411 -7.689 1.00 0.00 C ATOM 518 CG GLU A 35 -6.898 0.062 -8.097 1.00 0.00 C ATOM 519 CD GLU A 35 -7.637 0.228 -9.427 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.863 -0.014 -9.429 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.958 0.592 -10.411 1.00 0.00 O ATOM 0 H GLU A 35 -4.852 -0.515 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.521 -1.107 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.999 -1.896 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.739 -1.922 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.406 0.634 -7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.890 0.467 -8.184 1.00 0.00 H new ATOM 528 N HIS A 36 -5.352 -3.538 -5.741 1.00 0.00 N ATOM 529 CA HIS A 36 -5.130 -4.925 -5.372 1.00 0.00 C ATOM 530 C HIS A 36 -5.495 -5.129 -3.900 1.00 0.00 C ATOM 531 O HIS A 36 -6.349 -5.953 -3.577 1.00 0.00 O ATOM 532 CB HIS A 36 -3.695 -5.350 -5.691 1.00 0.00 C ATOM 533 CG HIS A 36 -3.409 -6.806 -5.410 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.042 -7.837 -6.081 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.551 -7.390 -4.526 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.579 -8.987 -5.613 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.655 -8.708 -4.649 1.00 0.00 N ATOM 0 H HIS A 36 -4.505 -3.016 -5.968 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.778 -5.570 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.492 -5.147 -6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.007 -4.736 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.898 -6.869 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.880 -9.972 -5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.130 -9.398 -4.111 1.00 0.00 H new ATOM 545 N ILE A 37 -4.829 -4.364 -3.047 1.00 0.00 N ATOM 546 CA ILE A 37 -5.073 -4.450 -1.617 1.00 0.00 C ATOM 547 C ILE A 37 -6.461 -3.888 -1.306 1.00 0.00 C ATOM 548 O ILE A 37 -7.116 -4.329 -0.362 1.00 0.00 O ATOM 549 CB ILE A 37 -3.945 -3.769 -0.840 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.060 -2.246 -0.929 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.577 -4.269 -1.307 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.250 -1.569 0.179 1.00 0.00 C ATOM 0 H ILE A 37 -4.121 -3.682 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.070 -5.490 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.044 -4.039 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.705 -1.907 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.107 -1.952 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.793 -3.769 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.510 -5.345 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.452 -4.050 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.349 -0.487 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.623 -1.891 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.200 -1.846 0.083 1.00 0.00 H new ATOM 564 N ALA A 38 -6.869 -2.923 -2.117 1.00 0.00 N ATOM 565 CA ALA A 38 -8.168 -2.296 -1.939 1.00 0.00 C ATOM 566 C ALA A 38 -9.202 -3.366 -1.583 1.00 0.00 C ATOM 567 O ALA A 38 -10.114 -3.116 -0.797 1.00 0.00 O ATOM 568 CB ALA A 38 -8.540 -1.525 -3.207 1.00 0.00 C ATOM 0 H ALA A 38 -6.323 -2.560 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.139 -1.580 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.514 -1.055 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.790 -0.758 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.581 -2.212 -4.052 1.00 0.00 H new ATOM 574 N ALA A 39 -9.025 -4.536 -2.179 1.00 0.00 N ATOM 575 CA ALA A 39 -9.931 -5.646 -1.935 1.00 0.00 C ATOM 576 C ALA A 39 -9.826 -6.071 -0.469 1.00 0.00 C ATOM 577 O ALA A 39 -10.811 -6.025 0.266 1.00 0.00 O ATOM 578 CB ALA A 39 -9.609 -6.790 -2.898 1.00 0.00 C ATOM 0 H ALA A 39 -8.267 -4.740 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.963 -5.346 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.289 -7.622 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.727 -6.445 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.582 -7.119 -2.741 1.00 0.00 H new ATOM 584 N SER A 40 -8.623 -6.475 -0.088 1.00 0.00 N ATOM 585 CA SER A 40 -8.376 -6.908 1.277 1.00 0.00 C ATOM 586 C SER A 40 -8.724 -5.783 2.254 1.00 0.00 C ATOM 587 O SER A 40 -9.620 -5.931 3.083 1.00 0.00 O ATOM 588 CB SER A 40 -6.921 -7.342 1.463 1.00 0.00 C ATOM 589 OG SER A 40 -6.747 -8.738 1.238 1.00 0.00 O ATOM 0 H SER A 40 -7.809 -6.512 -0.701 1.00 0.00 H new ATOM 0 HA SER A 40 -9.012 -7.769 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.285 -6.782 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.595 -7.094 2.473 1.00 0.00 H new ATOM 0 HG SER A 40 -5.805 -8.975 1.365 1.00 0.00 H new ATOM 595 N VAL A 41 -7.997 -4.683 2.123 1.00 0.00 N ATOM 596 CA VAL A 41 -8.217 -3.533 2.983 1.00 0.00 C ATOM 597 C VAL A 41 -9.661 -3.054 2.828 1.00 0.00 C ATOM 598 O VAL A 41 -10.191 -2.373 3.705 1.00 0.00 O ATOM 599 CB VAL A 41 -7.189 -2.443 2.674 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.769 -2.927 2.976 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.310 -1.972 1.223 1.00 0.00 C ATOM 0 H VAL A 41 -7.255 -4.564 1.434 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.076 -3.806 4.029 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.398 -1.592 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.058 -2.133 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.691 -3.192 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.545 -3.802 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.568 -1.197 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.140 -2.814 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.308 -1.569 1.053 1.00 0.00 H new ATOM 611 N SER A 42 -10.258 -3.429 1.706 1.00 0.00 N ATOM 612 CA SER A 42 -11.631 -3.046 1.424 1.00 0.00 C ATOM 613 C SER A 42 -11.738 -1.523 1.315 1.00 0.00 C ATOM 614 O SER A 42 -12.802 -0.954 1.552 1.00 0.00 O ATOM 615 CB SER A 42 -12.581 -3.569 2.503 1.00 0.00 C ATOM 616 OG SER A 42 -13.823 -4.003 1.956 1.00 0.00 O ATOM 0 H SER A 42 -9.816 -3.994 0.981 1.00 0.00 H new ATOM 0 HA SER A 42 -11.922 -3.493 0.474 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.109 -4.397 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.763 -2.784 3.237 1.00 0.00 H new ATOM 0 HG SER A 42 -14.401 -4.331 2.676 1.00 0.00 H new ATOM 622 N ILE A 43 -10.620 -0.908 0.957 1.00 0.00 N ATOM 623 CA ILE A 43 -10.575 0.537 0.814 1.00 0.00 C ATOM 624 C ILE A 43 -10.177 0.891 -0.621 1.00 0.00 C ATOM 625 O ILE A 43 -9.343 0.216 -1.222 1.00 0.00 O ATOM 626 CB ILE A 43 -9.661 1.152 1.875 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.192 0.877 3.283 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.456 2.647 1.623 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.224 1.398 4.347 1.00 0.00 C ATOM 0 H ILE A 43 -9.739 -1.384 0.762 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.561 0.968 0.987 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.684 0.675 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.165 1.353 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.342 -0.194 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.802 3.059 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.000 2.792 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.419 3.157 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.626 1.189 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.259 0.903 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.096 2.474 4.227 1.00 0.00 H new ATOM 641 N PRO A 44 -10.809 1.977 -1.141 1.00 0.00 N ATOM 642 CA PRO A 44 -10.530 2.429 -2.493 1.00 0.00 C ATOM 643 C PRO A 44 -9.176 3.139 -2.566 1.00 0.00 C ATOM 644 O PRO A 44 -8.789 3.842 -1.634 1.00 0.00 O ATOM 645 CB PRO A 44 -11.695 3.335 -2.854 1.00 0.00 C ATOM 646 CG PRO A 44 -12.342 3.727 -1.536 1.00 0.00 C ATOM 647 CD PRO A 44 -11.802 2.801 -0.458 1.00 0.00 C ATOM 0 HA PRO A 44 -10.448 1.606 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.351 4.215 -3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.406 2.819 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.117 4.766 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.427 3.643 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.354 3.365 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.595 2.190 -0.027 1.00 0.00 H new ATOM 655 N SER A 45 -8.493 2.930 -3.681 1.00 0.00 N ATOM 656 CA SER A 45 -7.191 3.540 -3.888 1.00 0.00 C ATOM 657 C SER A 45 -7.281 5.052 -3.669 1.00 0.00 C ATOM 658 O SER A 45 -6.434 5.637 -2.995 1.00 0.00 O ATOM 659 CB SER A 45 -6.656 3.238 -5.289 1.00 0.00 C ATOM 660 OG SER A 45 -7.174 4.140 -6.264 1.00 0.00 O ATOM 0 H SER A 45 -8.817 2.346 -4.452 1.00 0.00 H new ATOM 0 HA SER A 45 -6.496 3.114 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.568 3.297 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.918 2.216 -5.565 1.00 0.00 H new ATOM 0 HG SER A 45 -7.228 3.688 -7.132 1.00 0.00 H new ATOM 666 N GLU A 46 -8.316 5.641 -4.250 1.00 0.00 N ATOM 667 CA GLU A 46 -8.528 7.073 -4.127 1.00 0.00 C ATOM 668 C GLU A 46 -8.647 7.467 -2.653 1.00 0.00 C ATOM 669 O GLU A 46 -8.512 8.640 -2.308 1.00 0.00 O ATOM 670 CB GLU A 46 -9.764 7.514 -4.914 1.00 0.00 C ATOM 671 CG GLU A 46 -10.994 6.701 -4.504 1.00 0.00 C ATOM 672 CD GLU A 46 -12.272 7.312 -5.081 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.562 7.013 -6.260 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.930 8.065 -4.331 1.00 0.00 O ATOM 0 H GLU A 46 -9.017 5.152 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.665 7.586 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.950 8.574 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.582 7.392 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.888 5.674 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.063 6.663 -3.417 1.00 0.00 H new ATOM 681 N LYS A 47 -8.898 6.465 -1.824 1.00 0.00 N ATOM 682 CA LYS A 47 -9.036 6.692 -0.395 1.00 0.00 C ATOM 683 C LYS A 47 -7.754 6.251 0.313 1.00 0.00 C ATOM 684 O LYS A 47 -7.482 6.678 1.435 1.00 0.00 O ATOM 685 CB LYS A 47 -10.298 6.010 0.136 1.00 0.00 C ATOM 686 CG LYS A 47 -11.543 6.847 -0.167 1.00 0.00 C ATOM 687 CD LYS A 47 -12.748 6.346 0.631 1.00 0.00 C ATOM 688 CE LYS A 47 -12.893 7.113 1.946 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.320 7.228 2.325 1.00 0.00 N ATOM 0 H LYS A 47 -9.010 5.494 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.165 7.754 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.400 5.023 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.209 5.860 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.351 7.892 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.765 6.803 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.655 6.461 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.635 5.282 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.341 6.602 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.456 8.107 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.400 7.751 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.837 7.736 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.726 6.278 2.442 1.00 0.00 H new ATOM 703 N GLN A 48 -7.000 5.403 -0.370 1.00 0.00 N ATOM 704 CA GLN A 48 -5.753 4.899 0.180 1.00 0.00 C ATOM 705 C GLN A 48 -4.643 5.941 0.020 1.00 0.00 C ATOM 706 O GLN A 48 -4.714 6.798 -0.859 1.00 0.00 O ATOM 707 CB GLN A 48 -5.359 3.574 -0.476 1.00 0.00 C ATOM 708 CG GLN A 48 -6.226 2.426 0.046 1.00 0.00 C ATOM 709 CD GLN A 48 -5.747 1.083 -0.508 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.592 0.708 -0.386 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.696 0.381 -1.122 1.00 0.00 N ATOM 0 H GLN A 48 -7.229 5.052 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.898 4.711 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.467 3.653 -1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.309 3.362 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.193 2.407 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.265 2.591 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.643 0.753 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.476 -0.530 -1.526 1.00 0.00 H new ATOM 720 N ARG A 49 -3.644 5.832 0.884 1.00 0.00 N ATOM 721 CA ARG A 49 -2.522 6.754 0.850 1.00 0.00 C ATOM 722 C ARG A 49 -1.284 6.106 1.475 1.00 0.00 C ATOM 723 O ARG A 49 -1.007 6.302 2.657 1.00 0.00 O ATOM 724 CB ARG A 49 -2.847 8.046 1.600 1.00 0.00 C ATOM 725 CG ARG A 49 -1.766 9.103 1.366 1.00 0.00 C ATOM 726 CD ARG A 49 -1.909 10.263 2.354 1.00 0.00 C ATOM 727 NE ARG A 49 -0.683 11.092 2.343 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.640 12.373 2.732 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.753 12.981 3.165 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.517 13.048 2.687 1.00 0.00 N ATOM 0 H ARG A 49 -3.589 5.119 1.612 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.323 6.995 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.813 8.429 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.934 7.839 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.780 8.650 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.835 9.479 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.773 10.873 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.088 9.877 3.358 1.00 0.00 H new ATOM 0 HE ARG A 49 0.183 10.661 2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.634 12.468 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.719 13.957 3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.364 12.586 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.550 14.024 2.983 1.00 0.00 H new ATOM 744 N LEU A 50 -0.573 5.348 0.653 1.00 0.00 N ATOM 745 CA LEU A 50 0.628 4.671 1.111 1.00 0.00 C ATOM 746 C LEU A 50 1.705 5.711 1.430 1.00 0.00 C ATOM 747 O LEU A 50 1.915 6.648 0.661 1.00 0.00 O ATOM 748 CB LEU A 50 1.072 3.619 0.092 1.00 0.00 C ATOM 749 CG LEU A 50 -0.021 2.679 -0.419 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.474 1.861 -1.613 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.549 1.787 0.707 1.00 0.00 C ATOM 0 H LEU A 50 -0.806 5.188 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 50 0.429 4.125 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.511 4.133 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.861 3.016 0.542 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.857 3.286 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.322 1.201 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.762 2.534 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.336 1.265 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.325 1.129 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.267 1.187 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.966 2.409 1.499 1.00 0.00 H new ATOM 763 N ILE A 51 2.358 5.511 2.565 1.00 0.00 N ATOM 764 CA ILE A 51 3.408 6.419 2.994 1.00 0.00 C ATOM 765 C ILE A 51 4.587 5.609 3.535 1.00 0.00 C ATOM 766 O ILE A 51 4.410 4.743 4.391 1.00 0.00 O ATOM 767 CB ILE A 51 2.856 7.442 3.989 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.791 8.324 3.335 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.985 8.270 4.606 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.820 8.878 4.380 1.00 0.00 C ATOM 0 H ILE A 51 2.180 4.733 3.201 1.00 0.00 H new ATOM 0 HA ILE A 51 3.780 6.998 2.149 1.00 0.00 H new ATOM 0 HB ILE A 51 2.371 6.901 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.271 9.148 2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.241 7.746 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.566 8.989 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.676 7.610 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.519 8.802 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.073 9.502 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.324 8.052 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.370 9.476 5.107 1.00 0.00 H new ATOM 782 N TYR A 52 5.766 5.919 3.015 1.00 0.00 N ATOM 783 CA TYR A 52 6.974 5.231 3.435 1.00 0.00 C ATOM 784 C TYR A 52 8.043 6.228 3.889 1.00 0.00 C ATOM 785 O TYR A 52 8.445 7.103 3.124 1.00 0.00 O ATOM 786 CB TYR A 52 7.483 4.482 2.202 1.00 0.00 C ATOM 787 CG TYR A 52 8.670 3.558 2.482 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.957 4.052 2.426 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.453 2.230 2.789 1.00 0.00 C ATOM 790 CE1 TYR A 52 11.075 3.182 2.689 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.571 1.360 3.053 1.00 0.00 C ATOM 792 CZ TYR A 52 10.826 1.879 2.989 1.00 0.00 C ATOM 793 OH TYR A 52 11.881 1.058 3.238 1.00 0.00 O ATOM 0 H TYR A 52 5.910 6.638 2.306 1.00 0.00 H new ATOM 0 HA TYR A 52 6.765 4.565 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.667 3.892 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.772 5.208 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.126 5.091 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.446 1.843 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.087 3.556 2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.416 0.319 3.296 1.00 0.00 H new ATOM 0 HH TYR A 52 11.554 0.156 3.439 1.00 0.00 H new ATOM 803 N GLN A 53 8.472 6.061 5.131 1.00 0.00 N ATOM 804 CA GLN A 53 9.487 6.935 5.696 1.00 0.00 C ATOM 805 C GLN A 53 8.852 8.238 6.185 1.00 0.00 C ATOM 806 O GLN A 53 9.168 8.717 7.273 1.00 0.00 O ATOM 807 CB GLN A 53 10.597 7.213 4.681 1.00 0.00 C ATOM 808 CG GLN A 53 11.971 6.882 5.268 1.00 0.00 C ATOM 809 CD GLN A 53 12.384 7.917 6.316 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.872 9.024 6.369 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.335 7.497 7.146 1.00 0.00 N ATOM 0 H GLN A 53 8.136 5.334 5.762 1.00 0.00 H new ATOM 0 HA GLN A 53 9.939 6.431 6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.429 6.620 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.568 8.261 4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.948 5.891 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.713 6.851 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.721 6.558 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.679 8.114 7.882 1.00 0.00 H new ATOM 820 N GLY A 54 7.967 8.775 5.358 1.00 0.00 N ATOM 821 CA GLY A 54 7.285 10.014 5.692 1.00 0.00 C ATOM 822 C GLY A 54 6.579 10.599 4.468 1.00 0.00 C ATOM 823 O GLY A 54 5.589 11.317 4.601 1.00 0.00 O ATOM 0 H GLY A 54 7.706 8.375 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.557 9.831 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.004 10.735 6.081 1.00 0.00 H new ATOM 827 N ARG A 55 7.116 10.271 3.302 1.00 0.00 N ATOM 828 CA ARG A 55 6.550 10.755 2.054 1.00 0.00 C ATOM 829 C ARG A 55 5.481 9.786 1.545 1.00 0.00 C ATOM 830 O ARG A 55 5.552 8.586 1.805 1.00 0.00 O ATOM 831 CB ARG A 55 7.632 10.918 0.985 1.00 0.00 C ATOM 832 CG ARG A 55 7.646 12.345 0.432 1.00 0.00 C ATOM 833 CD ARG A 55 8.220 12.378 -0.985 1.00 0.00 C ATOM 834 NE ARG A 55 9.483 13.151 -1.002 1.00 0.00 N ATOM 835 CZ ARG A 55 9.544 14.487 -1.078 1.00 0.00 C ATOM 836 NH1 ARG A 55 8.416 15.207 -1.145 1.00 0.00 N ATOM 837 NH2 ARG A 55 10.734 15.104 -1.087 1.00 0.00 N ATOM 0 H ARG A 55 7.937 9.676 3.195 1.00 0.00 H new ATOM 0 HA ARG A 55 6.099 11.728 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.607 10.679 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.456 10.211 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.633 12.747 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.240 12.986 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.401 11.362 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.499 12.828 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 55 10.361 12.634 -0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.510 14.738 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.463 16.224 -1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.593 14.556 -1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.781 16.121 -1.145 1.00 0.00 H new ATOM 851 N VAL A 56 4.517 10.342 0.827 1.00 0.00 N ATOM 852 CA VAL A 56 3.435 9.542 0.279 1.00 0.00 C ATOM 853 C VAL A 56 3.897 8.895 -1.028 1.00 0.00 C ATOM 854 O VAL A 56 4.815 9.391 -1.681 1.00 0.00 O ATOM 855 CB VAL A 56 2.181 10.403 0.109 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.344 11.385 -1.053 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.939 9.530 -0.080 1.00 0.00 C ATOM 0 H VAL A 56 4.462 11.338 0.612 1.00 0.00 H new ATOM 0 HA VAL A 56 3.170 8.737 0.965 1.00 0.00 H new ATOM 0 HB VAL A 56 2.046 10.984 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.439 11.985 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.194 12.040 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.515 10.831 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.062 10.166 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.061 8.911 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.808 8.890 0.793 1.00 0.00 H new ATOM 867 N LEU A 57 3.241 7.796 -1.372 1.00 0.00 N ATOM 868 CA LEU A 57 3.573 7.076 -2.589 1.00 0.00 C ATOM 869 C LEU A 57 2.589 7.468 -3.693 1.00 0.00 C ATOM 870 O LEU A 57 1.377 7.345 -3.521 1.00 0.00 O ATOM 871 CB LEU A 57 3.630 5.571 -2.322 1.00 0.00 C ATOM 872 CG LEU A 57 4.611 5.118 -1.239 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.255 3.722 -0.725 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.055 5.194 -1.739 1.00 0.00 C ATOM 0 H LEU A 57 2.481 7.387 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 57 4.569 7.353 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.632 5.234 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.889 5.067 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 57 4.527 5.803 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.968 3.425 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.250 3.735 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.292 3.010 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.731 4.866 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.173 4.548 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.291 6.222 -2.015 1.00 0.00 H new ATOM 886 N GLN A 58 3.146 7.931 -4.802 1.00 0.00 N ATOM 887 CA GLN A 58 2.333 8.341 -5.934 1.00 0.00 C ATOM 888 C GLN A 58 1.646 7.127 -6.562 1.00 0.00 C ATOM 889 O GLN A 58 2.311 6.176 -6.971 1.00 0.00 O ATOM 890 CB GLN A 58 3.173 9.092 -6.969 1.00 0.00 C ATOM 891 CG GLN A 58 3.051 10.606 -6.781 1.00 0.00 C ATOM 892 CD GLN A 58 3.244 10.993 -5.313 1.00 0.00 C ATOM 893 OE1 GLN A 58 4.269 10.733 -4.705 1.00 0.00 O ATOM 894 NE2 GLN A 58 2.204 11.627 -4.779 1.00 0.00 N ATOM 0 H GLN A 58 4.152 8.031 -4.941 1.00 0.00 H new ATOM 0 HA GLN A 58 1.563 9.024 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.218 8.794 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.848 8.819 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.795 11.114 -7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.072 10.941 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.375 11.814 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.235 11.927 -3.805 1.00 0.00 H new ATOM 903 N ASP A 59 0.324 7.199 -6.620 1.00 0.00 N ATOM 904 CA ASP A 59 -0.460 6.117 -7.191 1.00 0.00 C ATOM 905 C ASP A 59 0.078 5.784 -8.585 1.00 0.00 C ATOM 906 O ASP A 59 -0.134 4.683 -9.089 1.00 0.00 O ATOM 907 CB ASP A 59 -1.929 6.518 -7.334 1.00 0.00 C ATOM 908 CG ASP A 59 -2.172 8.010 -7.570 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.343 8.615 -8.283 1.00 0.00 O ATOM 910 OD2 ASP A 59 -3.182 8.512 -7.031 1.00 0.00 O ATOM 0 H ASP A 59 -0.224 7.990 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.384 5.257 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.364 5.959 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.462 6.217 -6.432 1.00 0.00 H new ATOM 915 N ASP A 60 0.762 6.757 -9.168 1.00 0.00 N ATOM 916 CA ASP A 60 1.331 6.582 -10.493 1.00 0.00 C ATOM 917 C ASP A 60 2.670 5.851 -10.376 1.00 0.00 C ATOM 918 O ASP A 60 3.026 5.055 -11.244 1.00 0.00 O ATOM 919 CB ASP A 60 1.587 7.932 -11.166 1.00 0.00 C ATOM 920 CG ASP A 60 1.917 7.858 -12.658 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.068 7.319 -13.401 1.00 0.00 O ATOM 922 OD2 ASP A 60 3.010 8.343 -13.022 1.00 0.00 O ATOM 0 H ASP A 60 0.935 7.670 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 60 0.622 6.010 -11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.705 8.559 -11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.410 8.427 -10.651 1.00 0.00 H new ATOM 927 N LYS A 61 3.377 6.147 -9.295 1.00 0.00 N ATOM 928 CA LYS A 61 4.669 5.529 -9.053 1.00 0.00 C ATOM 929 C LYS A 61 4.476 4.029 -8.817 1.00 0.00 C ATOM 930 O LYS A 61 3.347 3.558 -8.688 1.00 0.00 O ATOM 931 CB LYS A 61 5.400 6.241 -7.913 1.00 0.00 C ATOM 932 CG LYS A 61 6.417 7.246 -8.457 1.00 0.00 C ATOM 933 CD LYS A 61 7.836 6.677 -8.396 1.00 0.00 C ATOM 934 CE LYS A 61 8.846 7.761 -8.015 1.00 0.00 C ATOM 935 NZ LYS A 61 9.910 7.198 -7.154 1.00 0.00 N ATOM 0 H LYS A 61 3.079 6.807 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 61 5.311 5.635 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.678 6.756 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.908 5.507 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.167 7.500 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.366 8.169 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.876 5.866 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.102 6.251 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.287 8.188 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.338 8.572 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.587 7.947 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.486 6.811 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.405 6.440 -7.665 1.00 0.00 H new ATOM 949 N LYS A 62 5.594 3.321 -8.767 1.00 0.00 N ATOM 950 CA LYS A 62 5.562 1.885 -8.548 1.00 0.00 C ATOM 951 C LYS A 62 6.230 1.562 -7.210 1.00 0.00 C ATOM 952 O LYS A 62 7.049 2.336 -6.718 1.00 0.00 O ATOM 953 CB LYS A 62 6.180 1.148 -9.738 1.00 0.00 C ATOM 954 CG LYS A 62 5.720 1.761 -11.062 1.00 0.00 C ATOM 955 CD LYS A 62 6.462 1.134 -12.244 1.00 0.00 C ATOM 956 CE LYS A 62 5.496 0.790 -13.379 1.00 0.00 C ATOM 957 NZ LYS A 62 6.217 0.714 -14.669 1.00 0.00 N ATOM 0 H LYS A 62 6.529 3.715 -8.874 1.00 0.00 H new ATOM 0 HA LYS A 62 4.533 1.532 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.267 1.191 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.900 0.095 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.647 1.613 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.894 2.837 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.224 1.824 -12.607 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.979 0.232 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.007 -0.162 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.712 1.545 -13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.546 0.480 -15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.663 1.631 -14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.949 -0.022 -14.615 1.00 0.00 H new ATOM 971 N LEU A 63 5.855 0.417 -6.660 1.00 0.00 N ATOM 972 CA LEU A 63 6.407 -0.018 -5.388 1.00 0.00 C ATOM 973 C LEU A 63 7.917 -0.219 -5.535 1.00 0.00 C ATOM 974 O LEU A 63 8.702 0.422 -4.838 1.00 0.00 O ATOM 975 CB LEU A 63 5.668 -1.258 -4.879 1.00 0.00 C ATOM 976 CG LEU A 63 4.187 -1.355 -5.248 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.551 0.034 -5.331 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.995 -2.151 -6.541 1.00 0.00 C ATOM 0 H LEU A 63 5.176 -0.223 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 63 6.259 0.748 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.176 -2.142 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.754 -1.287 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 63 3.672 -1.899 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.498 -0.063 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.639 0.533 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.063 0.624 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.933 -2.205 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.526 -1.657 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.389 -3.159 -6.410 1.00 0.00 H new ATOM 990 N GLN A 64 8.277 -1.112 -6.445 1.00 0.00 N ATOM 991 CA GLN A 64 9.679 -1.405 -6.692 1.00 0.00 C ATOM 992 C GLN A 64 10.489 -0.109 -6.754 1.00 0.00 C ATOM 993 O GLN A 64 11.564 -0.016 -6.163 1.00 0.00 O ATOM 994 CB GLN A 64 9.851 -2.220 -7.975 1.00 0.00 C ATOM 995 CG GLN A 64 11.243 -2.851 -8.042 1.00 0.00 C ATOM 996 CD GLN A 64 11.573 -3.301 -9.466 1.00 0.00 C ATOM 997 OE1 GLN A 64 10.734 -3.312 -10.352 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.840 -3.671 -9.636 1.00 0.00 N ATOM 0 H GLN A 64 7.623 -1.642 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 64 10.055 -2.007 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.092 -3.001 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.697 -1.577 -8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.989 -2.132 -7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.292 -3.705 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.491 -3.637 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.160 -3.988 -10.551 1.00 0.00 H new ATOM 1007 N GLU A 65 9.943 0.860 -7.474 1.00 0.00 N ATOM 1008 CA GLU A 65 10.602 2.147 -7.620 1.00 0.00 C ATOM 1009 C GLU A 65 11.104 2.643 -6.263 1.00 0.00 C ATOM 1010 O GLU A 65 12.082 3.387 -6.193 1.00 0.00 O ATOM 1011 CB GLU A 65 9.667 3.171 -8.267 1.00 0.00 C ATOM 1012 CG GLU A 65 9.988 3.345 -9.753 1.00 0.00 C ATOM 1013 CD GLU A 65 8.801 2.926 -10.622 1.00 0.00 C ATOM 1014 OE1 GLU A 65 7.887 3.765 -10.778 1.00 0.00 O ATOM 1015 OE2 GLU A 65 8.833 1.776 -11.111 1.00 0.00 O ATOM 0 H GLU A 65 9.051 0.780 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 65 11.461 2.021 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.632 2.849 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.762 4.129 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.242 4.386 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.862 2.748 -10.012 1.00 0.00 H new ATOM 1022 N TYR A 66 10.413 2.211 -5.218 1.00 0.00 N ATOM 1023 CA TYR A 66 10.778 2.603 -3.867 1.00 0.00 C ATOM 1024 C TYR A 66 11.544 1.483 -3.160 1.00 0.00 C ATOM 1025 O TYR A 66 12.300 1.739 -2.224 1.00 0.00 O ATOM 1026 CB TYR A 66 9.460 2.847 -3.129 1.00 0.00 C ATOM 1027 CG TYR A 66 8.778 4.167 -3.494 1.00 0.00 C ATOM 1028 CD1 TYR A 66 9.273 5.358 -3.002 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.668 4.168 -4.314 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.632 6.601 -3.345 1.00 0.00 C ATOM 1031 CE2 TYR A 66 7.027 5.410 -4.657 1.00 0.00 C ATOM 1032 CZ TYR A 66 7.540 6.566 -4.156 1.00 0.00 C ATOM 1033 OH TYR A 66 6.934 7.739 -4.480 1.00 0.00 O ATOM 0 H TYR A 66 9.603 1.594 -5.279 1.00 0.00 H new ATOM 0 HA TYR A 66 11.419 3.485 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.777 2.025 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.648 2.832 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 66 10.141 5.358 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.280 3.236 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 66 9.009 7.540 -2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.158 5.424 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 66 6.169 7.561 -5.066 1.00 0.00 H new ATOM 1043 N ASN A 67 11.322 0.266 -3.634 1.00 0.00 N ATOM 1044 CA ASN A 67 11.983 -0.893 -3.059 1.00 0.00 C ATOM 1045 C ASN A 67 11.310 -1.252 -1.733 1.00 0.00 C ATOM 1046 O ASN A 67 11.984 -1.440 -0.721 1.00 0.00 O ATOM 1047 CB ASN A 67 13.458 -0.603 -2.778 1.00 0.00 C ATOM 1048 CG ASN A 67 14.311 -1.858 -2.977 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.109 -2.638 -3.893 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.273 -2.008 -2.071 1.00 0.00 N ATOM 0 H ASN A 67 10.694 0.057 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 67 11.907 -1.713 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.809 0.189 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.573 -0.239 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.896 -2.814 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.387 -1.317 -1.329 1.00 0.00 H new ATOM 1057 N VAL A 68 9.988 -1.336 -1.780 1.00 0.00 N ATOM 1058 CA VAL A 68 9.217 -1.669 -0.594 1.00 0.00 C ATOM 1059 C VAL A 68 8.989 -3.181 -0.547 1.00 0.00 C ATOM 1060 O VAL A 68 7.968 -3.643 -0.040 1.00 0.00 O ATOM 1061 CB VAL A 68 7.914 -0.867 -0.575 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.192 0.633 -0.689 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.967 -1.335 -1.682 1.00 0.00 C ATOM 0 H VAL A 68 9.432 -1.179 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 68 9.765 -1.395 0.307 1.00 0.00 H new ATOM 0 HB VAL A 68 7.424 -1.045 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.249 1.180 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.811 0.953 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.714 0.836 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.048 -0.749 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.446 -1.201 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.731 -2.389 -1.537 1.00 0.00 H new ATOM 1073 N GLY A 69 9.957 -3.910 -1.083 1.00 0.00 N ATOM 1074 CA GLY A 69 9.875 -5.361 -1.109 1.00 0.00 C ATOM 1075 C GLY A 69 10.118 -5.948 0.283 1.00 0.00 C ATOM 1076 O GLY A 69 11.195 -5.781 0.852 1.00 0.00 O ATOM 0 H GLY A 69 10.802 -3.523 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.893 -5.667 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.610 -5.758 -1.809 1.00 0.00 H new ATOM 1080 N GLY A 70 9.098 -6.625 0.791 1.00 0.00 N ATOM 1081 CA GLY A 70 9.187 -7.239 2.105 1.00 0.00 C ATOM 1082 C GLY A 70 9.286 -6.176 3.201 1.00 0.00 C ATOM 1083 O GLY A 70 9.521 -6.498 4.364 1.00 0.00 O ATOM 0 H GLY A 70 8.206 -6.762 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.311 -7.865 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.059 -7.892 2.147 1.00 0.00 H new ATOM 1087 N LYS A 71 9.103 -4.929 2.790 1.00 0.00 N ATOM 1088 CA LYS A 71 9.169 -3.817 3.722 1.00 0.00 C ATOM 1089 C LYS A 71 7.775 -3.554 4.296 1.00 0.00 C ATOM 1090 O LYS A 71 6.783 -4.078 3.790 1.00 0.00 O ATOM 1091 CB LYS A 71 9.799 -2.593 3.053 1.00 0.00 C ATOM 1092 CG LYS A 71 11.251 -2.870 2.661 1.00 0.00 C ATOM 1093 CD LYS A 71 12.176 -2.768 3.876 1.00 0.00 C ATOM 1094 CE LYS A 71 13.611 -3.148 3.507 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.016 -4.388 4.206 1.00 0.00 N ATOM 0 H LYS A 71 8.909 -4.665 1.824 1.00 0.00 H new ATOM 0 HA LYS A 71 9.819 -4.063 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.225 -2.322 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.758 -1.741 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.330 -3.865 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.567 -2.159 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.155 -1.752 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.815 -3.424 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.690 -3.289 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.288 -2.336 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.993 -4.631 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.960 -4.241 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.381 -5.164 3.932 1.00 0.00 H new ATOM 1109 N VAL A 72 7.744 -2.744 5.343 1.00 0.00 N ATOM 1110 CA VAL A 72 6.488 -2.405 5.991 1.00 0.00 C ATOM 1111 C VAL A 72 6.136 -0.949 5.683 1.00 0.00 C ATOM 1112 O VAL A 72 6.790 -0.031 6.176 1.00 0.00 O ATOM 1113 CB VAL A 72 6.577 -2.695 7.490 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.465 -1.975 8.255 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.544 -4.200 7.761 1.00 0.00 C ATOM 0 H VAL A 72 8.569 -2.312 5.759 1.00 0.00 H new ATOM 0 HA VAL A 72 5.679 -3.023 5.602 1.00 0.00 H new ATOM 0 HB VAL A 72 7.532 -2.312 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.551 -2.198 9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.555 -0.900 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.495 -2.313 7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.609 -4.378 8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.612 -4.618 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.387 -4.678 7.262 1.00 0.00 H new ATOM 1125 N ILE A 73 5.104 -0.781 4.869 1.00 0.00 N ATOM 1126 CA ILE A 73 4.658 0.548 4.490 1.00 0.00 C ATOM 1127 C ILE A 73 3.641 1.053 5.516 1.00 0.00 C ATOM 1128 O ILE A 73 3.189 0.294 6.373 1.00 0.00 O ATOM 1129 CB ILE A 73 4.132 0.548 3.053 1.00 0.00 C ATOM 1130 CG1 ILE A 73 5.009 -0.322 2.149 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.996 1.975 2.519 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.322 -0.583 0.807 1.00 0.00 C ATOM 0 H ILE A 73 4.564 -1.544 4.461 1.00 0.00 H new ATOM 0 HA ILE A 73 5.495 1.246 4.499 1.00 0.00 H new ATOM 0 HB ILE A 73 3.134 0.109 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.967 0.171 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.220 -1.270 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.620 1.946 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.300 2.533 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.970 2.464 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.966 -1.203 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.376 -1.097 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.134 0.366 0.304 1.00 0.00 H new ATOM 1144 N HIS A 74 3.311 2.330 5.397 1.00 0.00 N ATOM 1145 CA HIS A 74 2.356 2.945 6.303 1.00 0.00 C ATOM 1146 C HIS A 74 1.175 3.501 5.505 1.00 0.00 C ATOM 1147 O HIS A 74 1.246 4.610 4.976 1.00 0.00 O ATOM 1148 CB HIS A 74 3.036 4.004 7.172 1.00 0.00 C ATOM 1149 CG HIS A 74 3.906 3.434 8.267 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.392 2.948 9.457 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.259 3.276 8.339 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.399 2.521 10.204 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.555 2.726 9.510 1.00 0.00 N ATOM 0 H HIS A 74 3.688 2.957 4.686 1.00 0.00 H new ATOM 0 HA HIS A 74 1.964 2.194 6.988 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.645 4.646 6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.271 4.636 7.622 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.969 3.552 7.573 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.319 2.087 11.190 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.493 2.495 9.837 1.00 0.00 H new ATOM 1161 N LEU A 75 0.117 2.707 5.442 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.077 3.106 4.717 1.00 0.00 C ATOM 1163 C LEU A 75 -2.024 3.842 5.668 1.00 0.00 C ATOM 1164 O LEU A 75 -1.998 3.612 6.876 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.715 1.898 4.028 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.199 2.031 3.680 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.390 2.831 2.390 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -3.870 0.658 3.608 1.00 0.00 C ATOM 0 H LEU A 75 0.062 1.788 5.882 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.822 3.802 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.164 1.695 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.590 1.029 4.673 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.689 2.587 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.454 2.911 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.970 3.829 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.883 2.324 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.924 0.781 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.384 0.055 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.781 0.158 4.573 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.836 4.712 5.087 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.789 5.483 5.868 1.00 0.00 C ATOM 1182 C VAL A 76 -5.044 5.734 5.029 1.00 0.00 C ATOM 1183 O VAL A 76 -4.957 5.926 3.817 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.135 6.773 6.366 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.965 6.468 7.303 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.685 7.648 5.194 1.00 0.00 C ATOM 0 H VAL A 76 -2.854 4.901 4.085 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.096 4.927 6.754 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.882 7.330 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.518 7.402 7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.325 5.904 8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.217 5.880 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.224 8.559 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.962 7.101 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.548 7.908 4.582 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.182 5.725 5.708 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.453 5.949 5.040 1.00 0.00 C ATOM 1198 C GLU A 77 -8.106 7.231 5.561 1.00 0.00 C ATOM 1199 O GLU A 77 -8.238 7.419 6.769 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.384 4.748 5.217 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.790 5.065 4.703 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.797 5.113 5.854 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.402 5.605 6.933 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.939 4.657 5.629 1.00 0.00 O ATOM 0 H GLU A 77 -6.250 5.566 6.713 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.266 6.067 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.982 3.889 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.431 4.472 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.783 6.022 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.095 4.309 3.979 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.499 8.080 4.622 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.135 9.339 4.971 1.00 0.00 C ATOM 1213 C ARG A 78 -10.123 9.134 6.121 1.00 0.00 C ATOM 1214 O ARG A 78 -10.777 8.096 6.205 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.877 9.932 3.771 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.983 10.906 3.001 1.00 0.00 C ATOM 1217 CD ARG A 78 -9.789 11.685 1.960 1.00 0.00 C ATOM 1218 NE ARG A 78 -8.876 12.427 1.063 1.00 0.00 N ATOM 1219 CZ ARG A 78 -9.272 13.379 0.208 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.568 13.712 0.129 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -8.372 13.999 -0.568 1.00 0.00 N ATOM 0 H ARG A 78 -8.389 7.921 3.621 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.352 10.032 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.203 9.131 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.774 10.448 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.513 11.601 3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.181 10.357 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.406 11.000 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.466 12.379 2.458 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.882 12.199 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.253 13.240 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.870 14.437 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.386 13.746 -0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.673 14.724 -1.219 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.199 10.140 6.980 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.096 10.082 8.122 1.00 0.00 C ATOM 1237 C ALA A 79 -12.523 10.386 7.660 1.00 0.00 C ATOM 1238 O ALA A 79 -12.722 11.063 6.653 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.613 11.055 9.200 1.00 0.00 C ATOM 0 H ALA A 79 -9.654 10.999 6.908 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.096 9.084 8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.285 11.012 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.606 10.779 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.603 12.068 8.798 1.00 0.00 H new ATOM 1245 N PRO A 80 -13.504 9.857 8.440 1.00 0.00 N ATOM 1246 CA PRO A 80 -14.906 10.065 8.121 1.00 0.00 C ATOM 1247 C PRO A 80 -15.344 11.488 8.475 1.00 0.00 C ATOM 1248 O PRO A 80 -15.966 11.710 9.512 1.00 0.00 O ATOM 1249 CB PRO A 80 -15.651 9.001 8.911 1.00 0.00 C ATOM 1250 CG PRO A 80 -14.691 8.540 9.996 1.00 0.00 C ATOM 1251 CD PRO A 80 -13.305 9.051 9.641 1.00 0.00 C ATOM 0 HA PRO A 80 -15.113 9.970 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.566 9.405 9.345 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.943 8.170 8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.001 8.923 10.968 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.690 7.452 10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.882 9.645 10.451 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.615 8.228 9.456 1.00 0.00 H new ATOM 1259 N SER A 81 -15.002 12.415 7.592 1.00 0.00 N ATOM 1260 CA SER A 81 -15.352 13.810 7.798 1.00 0.00 C ATOM 1261 C SER A 81 -15.464 14.525 6.450 1.00 0.00 C ATOM 1262 O SER A 81 -14.610 14.357 5.581 1.00 0.00 O ATOM 1263 CB SER A 81 -14.322 14.510 8.687 1.00 0.00 C ATOM 1264 OG SER A 81 -14.620 15.893 8.861 1.00 0.00 O ATOM 0 H SER A 81 -14.486 12.227 6.732 1.00 0.00 H new ATOM 0 HA SER A 81 -16.316 13.851 8.305 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.291 14.020 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.331 14.405 8.245 1.00 0.00 H new ATOM 0 HG SER A 81 -13.941 16.304 9.436 1.00 0.00 H new ATOM 1270 N GLY A 82 -16.524 15.310 6.319 1.00 0.00 N ATOM 1271 CA GLY A 82 -16.758 16.052 5.092 1.00 0.00 C ATOM 1272 C GLY A 82 -17.617 15.243 4.118 1.00 0.00 C ATOM 1273 O GLY A 82 -17.670 14.017 4.203 1.00 0.00 O ATOM 0 H GLY A 82 -17.230 15.448 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.253 16.995 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.805 16.298 4.624 1.00 0.00 H new ATOM 1277 N PRO A 83 -18.284 15.980 3.191 1.00 0.00 N ATOM 1278 CA PRO A 83 -19.137 15.345 2.201 1.00 0.00 C ATOM 1279 C PRO A 83 -18.303 14.667 1.112 1.00 0.00 C ATOM 1280 O PRO A 83 -17.332 15.242 0.620 1.00 0.00 O ATOM 1281 CB PRO A 83 -20.018 16.461 1.665 1.00 0.00 C ATOM 1282 CG PRO A 83 -19.316 17.759 2.033 1.00 0.00 C ATOM 1283 CD PRO A 83 -18.244 17.434 3.060 1.00 0.00 C ATOM 0 HA PRO A 83 -19.744 14.544 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.142 16.376 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -21.014 16.417 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.872 18.217 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -20.029 18.477 2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.263 17.775 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -18.447 17.923 4.013 1.00 0.00 H new ATOM 1291 N SER A 84 -18.711 13.455 0.767 1.00 0.00 N ATOM 1292 CA SER A 84 -18.013 12.693 -0.255 1.00 0.00 C ATOM 1293 C SER A 84 -18.431 13.176 -1.645 1.00 0.00 C ATOM 1294 O SER A 84 -17.593 13.608 -2.434 1.00 0.00 O ATOM 1295 CB SER A 84 -18.287 11.195 -0.109 1.00 0.00 C ATOM 1296 OG SER A 84 -17.096 10.421 -0.219 1.00 0.00 O ATOM 0 H SER A 84 -19.516 12.981 1.177 1.00 0.00 H new ATOM 0 HA SER A 84 -16.942 12.853 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.755 11.005 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.996 10.880 -0.875 1.00 0.00 H new ATOM 0 HG SER A 84 -17.313 9.471 -0.119 1.00 0.00 H new ATOM 1302 N SER A 85 -19.728 13.086 -1.902 1.00 0.00 N ATOM 1303 CA SER A 85 -20.268 13.509 -3.183 1.00 0.00 C ATOM 1304 C SER A 85 -19.588 12.739 -4.317 1.00 0.00 C ATOM 1305 O SER A 85 -18.551 12.110 -4.111 1.00 0.00 O ATOM 1306 CB SER A 85 -20.092 15.016 -3.385 1.00 0.00 C ATOM 1307 OG SER A 85 -20.608 15.765 -2.288 1.00 0.00 O ATOM 0 H SER A 85 -20.420 12.726 -1.245 1.00 0.00 H new ATOM 0 HA SER A 85 -21.336 13.291 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 85 -19.034 15.243 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.597 15.320 -4.302 1.00 0.00 H new ATOM 0 HG SER A 85 -20.475 16.722 -2.454 1.00 0.00 H new ATOM 1313 N GLY A 86 -20.199 12.814 -5.490 1.00 0.00 N ATOM 1314 CA GLY A 86 -19.666 12.132 -6.657 1.00 0.00 C ATOM 1315 C GLY A 86 -20.778 11.800 -7.654 1.00 0.00 C ATOM 1316 O GLY A 86 -20.600 10.954 -8.529 1.00 0.00 O ATOM 0 H GLY A 86 -21.059 13.337 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.916 12.760 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.163 11.215 -6.349 1.00 0.00 H new TER 1320 GLY A 86