USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 421 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 1 MET N :NH3+ 171:sc= -0.111 (180deg=-0.782) USER MOD Set 1.2: A 4 ASN :FLIP amide:sc= 0.381 F(o=-7.6!,f=0.27) USER MOD Single : A 1 MET CE :methyl 139:sc= -0.107 (180deg=-1.19) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -32:sc= 0.478 USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.162) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -4.23! (180deg=-4.46!) USER MOD Single : A 42 SER OG : rot 93:sc= 0.223 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.846 -10.991 -16.386 1.00 0.00 N ATOM 2 CA MET A 1 -8.313 -12.080 -17.255 1.00 0.00 C ATOM 3 C MET A 1 -6.895 -12.420 -16.804 1.00 0.00 C ATOM 4 O MET A 1 -6.692 -13.278 -15.946 1.00 0.00 O ATOM 5 CB MET A 1 -8.317 -11.626 -18.733 1.00 0.00 C ATOM 6 CG MET A 1 -8.344 -10.110 -18.804 1.00 0.00 C ATOM 7 SD MET A 1 -8.181 -9.578 -20.527 1.00 0.00 S ATOM 8 CE MET A 1 -9.748 -10.253 -21.133 1.00 0.00 C ATOM 0 H1 MET A 1 -9.747 -10.646 -16.775 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.002 -11.358 -15.426 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.162 -10.209 -16.351 1.00 0.00 H new ATOM 0 HA MET A 1 -8.942 -12.966 -17.169 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.432 -12.008 -19.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.185 -12.039 -19.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.276 -9.733 -18.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.533 -9.694 -18.206 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.212 -9.540 -21.815 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.562 -11.189 -21.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.415 -10.436 -20.291 1.00 0.00 H new ATOM 20 N PHE A 2 -5.920 -11.738 -17.393 1.00 0.00 N ATOM 21 CA PHE A 2 -4.527 -11.962 -17.057 1.00 0.00 C ATOM 22 C PHE A 2 -4.156 -11.233 -15.776 1.00 0.00 C ATOM 23 O PHE A 2 -3.016 -11.299 -15.319 1.00 0.00 O ATOM 24 CB PHE A 2 -3.648 -11.468 -18.189 1.00 0.00 C ATOM 25 CG PHE A 2 -3.857 -12.330 -19.411 1.00 0.00 C ATOM 26 CD1 PHE A 2 -3.116 -13.505 -19.575 1.00 0.00 C ATOM 27 CD2 PHE A 2 -4.792 -11.950 -20.380 1.00 0.00 C ATOM 28 CE1 PHE A 2 -3.309 -14.302 -20.710 1.00 0.00 C ATOM 29 CE2 PHE A 2 -4.985 -12.746 -21.516 1.00 0.00 C ATOM 30 CZ PHE A 2 -4.244 -13.922 -21.680 1.00 0.00 C ATOM 0 H PHE A 2 -6.073 -11.025 -18.106 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.375 -13.031 -16.906 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.886 -10.430 -18.420 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.601 -11.496 -17.888 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.395 -13.798 -18.826 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -5.365 -11.043 -20.252 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.737 -15.209 -20.837 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.705 -12.453 -22.265 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.394 -14.537 -22.555 1.00 0.00 H new ATOM 40 N SER A 3 -5.128 -10.529 -15.204 1.00 0.00 N ATOM 41 CA SER A 3 -4.907 -9.782 -13.967 1.00 0.00 C ATOM 42 C SER A 3 -5.523 -10.524 -12.784 1.00 0.00 C ATOM 43 O SER A 3 -5.108 -10.343 -11.639 1.00 0.00 O ATOM 44 CB SER A 3 -5.516 -8.387 -14.099 1.00 0.00 C ATOM 45 OG SER A 3 -4.569 -7.523 -14.715 1.00 0.00 O ATOM 0 H SER A 3 -6.075 -10.459 -15.575 1.00 0.00 H new ATOM 0 HA SER A 3 -3.836 -9.687 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.429 -8.430 -14.693 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.793 -8.003 -13.117 1.00 0.00 H new ATOM 0 HG SER A 3 -4.954 -6.626 -14.804 1.00 0.00 H new ATOM 51 N ASN A 4 -6.510 -11.362 -13.075 1.00 0.00 N ATOM 52 CA ASN A 4 -7.178 -12.132 -12.035 1.00 0.00 C ATOM 53 C ASN A 4 -6.305 -13.295 -11.588 1.00 0.00 C ATOM 54 O ASN A 4 -6.565 -13.919 -10.559 1.00 0.00 O ATOM 55 CB ASN A 4 -8.523 -12.653 -12.545 1.00 0.00 C ATOM 56 CG ASN A 4 -9.558 -11.532 -12.547 1.00 0.00 C ATOM 57 OD1 ASN A 4 -10.028 -11.091 -13.681 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 -9.948 -11.045 -11.486 1.00 0.00 N flip ATOM 0 H ASN A 4 -6.864 -11.525 -14.018 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.352 -11.478 -11.180 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.408 -13.053 -13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.866 -13.473 -11.914 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.579 -11.391 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.640 -10.295 -11.493 1.00 0.00 H new ATOM 65 N ILE A 5 -5.277 -13.597 -12.370 1.00 0.00 N ATOM 66 CA ILE A 5 -4.392 -14.699 -12.038 1.00 0.00 C ATOM 67 C ILE A 5 -3.675 -14.459 -10.717 1.00 0.00 C ATOM 68 O ILE A 5 -3.689 -15.319 -9.842 1.00 0.00 O ATOM 69 CB ILE A 5 -3.384 -14.918 -13.167 1.00 0.00 C ATOM 70 CG1 ILE A 5 -2.658 -13.602 -13.487 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.129 -15.407 -14.410 1.00 0.00 C ATOM 72 CD1 ILE A 5 -1.857 -13.732 -14.794 1.00 0.00 C ATOM 0 H ILE A 5 -5.039 -13.100 -13.228 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.997 -15.598 -11.923 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.648 -15.661 -12.858 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.383 -12.793 -13.577 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.988 -13.341 -12.668 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.418 -15.566 -15.221 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.638 -16.344 -14.184 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.863 -14.660 -14.712 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.349 -12.791 -15.005 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.119 -14.527 -14.691 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.535 -13.970 -15.614 1.00 0.00 H new ATOM 84 N GLY A 6 -3.066 -13.296 -10.567 1.00 0.00 N ATOM 85 CA GLY A 6 -2.365 -12.980 -9.326 1.00 0.00 C ATOM 86 C GLY A 6 -1.030 -13.707 -9.254 1.00 0.00 C ATOM 87 O GLY A 6 -0.370 -13.912 -10.275 1.00 0.00 O ATOM 0 H GLY A 6 -3.040 -12.562 -11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.201 -11.904 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.983 -13.261 -8.473 1.00 0.00 H new ATOM 91 N ILE A 7 -0.640 -14.103 -8.041 1.00 0.00 N ATOM 92 CA ILE A 7 0.617 -14.826 -7.865 1.00 0.00 C ATOM 93 C ILE A 7 0.601 -16.101 -8.707 1.00 0.00 C ATOM 94 O ILE A 7 1.500 -16.285 -9.518 1.00 0.00 O ATOM 95 CB ILE A 7 0.908 -15.115 -6.362 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.721 -13.955 -5.765 1.00 0.00 C ATOM 97 CG2 ILE A 7 1.712 -16.409 -6.162 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.214 -14.078 -6.130 1.00 0.00 C ATOM 0 H ILE A 7 -1.166 -13.939 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 7 1.436 -14.198 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.056 -15.224 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.331 -13.006 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.608 -13.948 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.889 -16.566 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.151 -17.252 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.667 -16.328 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.765 -13.244 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.608 -15.016 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.326 -14.060 -7.214 1.00 0.00 H new ATOM 110 N PRO A 8 -0.390 -16.973 -8.563 1.00 0.00 N ATOM 111 CA PRO A 8 -0.465 -18.210 -9.385 1.00 0.00 C ATOM 112 C PRO A 8 0.080 -17.990 -10.803 1.00 0.00 C ATOM 113 O PRO A 8 0.744 -18.854 -11.369 1.00 0.00 O ATOM 114 CB PRO A 8 -1.971 -18.526 -9.424 1.00 0.00 C ATOM 115 CG PRO A 8 -2.599 -17.835 -8.233 1.00 0.00 C ATOM 116 CD PRO A 8 -1.526 -16.907 -7.606 1.00 0.00 C ATOM 0 HA PRO A 8 0.136 -19.018 -8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.415 -18.172 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.141 -19.602 -9.379 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.471 -17.258 -8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.944 -18.568 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.896 -15.888 -7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.232 -17.250 -6.614 1.00 0.00 H new ATOM 124 N GLY A 9 -0.222 -16.821 -11.351 1.00 0.00 N ATOM 125 CA GLY A 9 0.219 -16.463 -12.693 1.00 0.00 C ATOM 126 C GLY A 9 1.697 -16.091 -12.728 1.00 0.00 C ATOM 127 O GLY A 9 2.392 -16.351 -13.707 1.00 0.00 O ATOM 0 H GLY A 9 -0.773 -16.101 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.039 -17.299 -13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.375 -15.625 -13.058 1.00 0.00 H new ATOM 131 N LEU A 10 2.162 -15.461 -11.657 1.00 0.00 N ATOM 132 CA LEU A 10 3.548 -15.032 -11.564 1.00 0.00 C ATOM 133 C LEU A 10 4.504 -16.227 -11.607 1.00 0.00 C ATOM 134 O LEU A 10 5.566 -16.150 -12.224 1.00 0.00 O ATOM 135 CB LEU A 10 3.728 -14.225 -10.280 1.00 0.00 C ATOM 136 CG LEU A 10 5.187 -13.719 -10.132 1.00 0.00 C ATOM 137 CD1 LEU A 10 5.175 -12.323 -9.500 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.990 -14.663 -9.223 1.00 0.00 C ATOM 0 H LEU A 10 1.596 -15.236 -10.839 1.00 0.00 H new ATOM 0 HA LEU A 10 3.790 -14.405 -12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.045 -13.376 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.466 -14.842 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 10 5.649 -13.687 -11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.198 -11.963 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.614 -11.640 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.704 -12.372 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.012 -14.295 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.526 -14.702 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.003 -15.663 -9.657 1.00 0.00 H new ATOM 150 N ILE A 11 4.129 -17.328 -10.962 1.00 0.00 N ATOM 151 CA ILE A 11 4.977 -18.518 -10.944 1.00 0.00 C ATOM 152 C ILE A 11 5.232 -19.004 -12.365 1.00 0.00 C ATOM 153 O ILE A 11 6.360 -19.321 -12.706 1.00 0.00 O ATOM 154 CB ILE A 11 4.293 -19.628 -10.111 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.553 -19.410 -8.616 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.819 -21.015 -10.503 1.00 0.00 C ATOM 157 CD1 ILE A 11 4.265 -17.964 -8.232 1.00 0.00 C ATOM 0 H ILE A 11 3.252 -17.422 -10.449 1.00 0.00 H new ATOM 0 HA ILE A 11 5.935 -18.269 -10.488 1.00 0.00 H new ATOM 0 HB ILE A 11 3.223 -19.578 -10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.925 -20.081 -8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.588 -19.656 -8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.321 -21.776 -9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.616 -21.196 -11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.894 -21.060 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.454 -17.826 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.912 -17.300 -8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.222 -17.731 -8.448 1.00 0.00 H new ATOM 169 N LEU A 12 4.202 -19.054 -13.189 1.00 0.00 N ATOM 170 CA LEU A 12 4.377 -19.516 -14.551 1.00 0.00 C ATOM 171 C LEU A 12 5.395 -18.638 -15.260 1.00 0.00 C ATOM 172 O LEU A 12 6.299 -19.148 -15.911 1.00 0.00 O ATOM 173 CB LEU A 12 3.037 -19.451 -15.274 1.00 0.00 C ATOM 174 CG LEU A 12 3.160 -20.015 -16.696 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.486 -21.519 -16.648 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.832 -19.795 -17.429 1.00 0.00 C ATOM 0 H LEU A 12 3.249 -18.785 -12.943 1.00 0.00 H new ATOM 0 HA LEU A 12 4.739 -20.544 -14.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.290 -20.016 -14.717 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.690 -18.418 -15.316 1.00 0.00 H new ATOM 0 HG LEU A 12 3.966 -19.504 -17.222 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.570 -21.906 -17.664 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.429 -21.670 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.690 -22.047 -16.124 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.905 -20.191 -18.442 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.032 -20.309 -16.895 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.613 -18.728 -17.472 1.00 0.00 H new ATOM 188 N ILE A 13 5.265 -17.326 -15.092 1.00 0.00 N ATOM 189 CA ILE A 13 6.203 -16.381 -15.694 1.00 0.00 C ATOM 190 C ILE A 13 7.584 -16.546 -15.082 1.00 0.00 C ATOM 191 O ILE A 13 8.598 -16.480 -15.776 1.00 0.00 O ATOM 192 CB ILE A 13 5.713 -14.937 -15.464 1.00 0.00 C ATOM 193 CG1 ILE A 13 4.602 -14.591 -16.482 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.890 -13.943 -15.578 1.00 0.00 C ATOM 195 CD1 ILE A 13 5.197 -14.122 -17.821 1.00 0.00 C ATOM 0 H ILE A 13 4.521 -16.892 -14.545 1.00 0.00 H new ATOM 0 HA ILE A 13 6.259 -16.582 -16.764 1.00 0.00 H new ATOM 0 HB ILE A 13 5.301 -14.858 -14.458 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.973 -15.465 -16.648 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.961 -13.810 -16.073 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.527 -12.929 -15.413 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.644 -14.185 -14.829 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.331 -14.013 -16.572 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.390 -13.886 -18.515 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.806 -13.233 -17.657 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.817 -14.914 -18.241 1.00 0.00 H new ATOM 207 N PHE A 14 7.610 -16.708 -13.776 1.00 0.00 N ATOM 208 CA PHE A 14 8.865 -16.819 -13.074 1.00 0.00 C ATOM 209 C PHE A 14 9.675 -17.975 -13.642 1.00 0.00 C ATOM 210 O PHE A 14 10.885 -17.865 -13.837 1.00 0.00 O ATOM 211 CB PHE A 14 8.586 -17.015 -11.585 1.00 0.00 C ATOM 212 CG PHE A 14 9.752 -16.525 -10.753 1.00 0.00 C ATOM 213 CD1 PHE A 14 10.119 -15.171 -10.791 1.00 0.00 C ATOM 214 CD2 PHE A 14 10.464 -17.416 -9.941 1.00 0.00 C ATOM 215 CE1 PHE A 14 11.195 -14.714 -10.023 1.00 0.00 C ATOM 216 CE2 PHE A 14 11.540 -16.957 -9.173 1.00 0.00 C ATOM 217 CZ PHE A 14 11.906 -15.607 -9.214 1.00 0.00 C ATOM 0 H PHE A 14 6.781 -16.765 -13.185 1.00 0.00 H new ATOM 0 HA PHE A 14 9.450 -15.908 -13.203 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.681 -16.475 -11.305 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.404 -18.070 -11.380 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.570 -14.481 -11.414 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.183 -18.458 -9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.477 -13.672 -10.054 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.089 -17.646 -8.548 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.737 -15.254 -8.621 1.00 0.00 H new ATOM 227 N VAL A 15 8.992 -19.073 -13.913 1.00 0.00 N ATOM 228 CA VAL A 15 9.640 -20.253 -14.466 1.00 0.00 C ATOM 229 C VAL A 15 10.332 -19.905 -15.778 1.00 0.00 C ATOM 230 O VAL A 15 11.462 -20.325 -16.030 1.00 0.00 O ATOM 231 CB VAL A 15 8.598 -21.346 -14.709 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.323 -22.655 -15.051 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.716 -21.530 -13.445 1.00 0.00 C ATOM 0 H VAL A 15 7.989 -19.174 -13.760 1.00 0.00 H new ATOM 0 HA VAL A 15 10.385 -20.613 -13.757 1.00 0.00 H new ATOM 0 HB VAL A 15 7.951 -21.062 -15.539 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.590 -23.442 -15.226 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.925 -22.514 -15.948 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.970 -22.940 -14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.977 -22.310 -13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.344 -21.815 -12.601 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.206 -20.594 -13.217 1.00 0.00 H new ATOM 243 N ILE A 16 9.650 -19.122 -16.602 1.00 0.00 N ATOM 244 CA ILE A 16 10.210 -18.702 -17.890 1.00 0.00 C ATOM 245 C ILE A 16 11.580 -18.103 -17.675 1.00 0.00 C ATOM 246 O ILE A 16 12.437 -18.154 -18.548 1.00 0.00 O ATOM 247 CB ILE A 16 9.313 -17.674 -18.566 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.883 -18.202 -18.586 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.804 -17.415 -19.991 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.814 -19.577 -19.265 1.00 0.00 C ATOM 0 H ILE A 16 8.715 -18.764 -16.409 1.00 0.00 H new ATOM 0 HA ILE A 16 10.282 -19.578 -18.534 1.00 0.00 H new ATOM 0 HB ILE A 16 9.344 -16.735 -18.014 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.505 -18.276 -17.566 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.239 -17.499 -19.114 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.159 -16.679 -20.470 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.826 -17.037 -19.961 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.778 -18.345 -20.559 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.783 -19.931 -19.266 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.170 -19.494 -20.292 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.440 -20.284 -18.720 1.00 0.00 H new ATOM 262 N ALA A 17 11.764 -17.515 -16.511 1.00 0.00 N ATOM 263 CA ALA A 17 13.041 -16.904 -16.160 1.00 0.00 C ATOM 264 C ALA A 17 13.997 -17.972 -15.621 1.00 0.00 C ATOM 265 O ALA A 17 15.193 -17.930 -15.867 1.00 0.00 O ATOM 266 CB ALA A 17 12.812 -15.810 -15.109 1.00 0.00 C ATOM 0 H ALA A 17 11.048 -17.444 -15.788 1.00 0.00 H new ATOM 0 HA ALA A 17 13.487 -16.455 -17.047 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.766 -15.353 -14.846 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.145 -15.050 -15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.362 -16.249 -14.218 1.00 0.00 H new ATOM 272 N LEU A 18 13.457 -18.928 -14.879 1.00 0.00 N ATOM 273 CA LEU A 18 14.263 -19.994 -14.305 1.00 0.00 C ATOM 274 C LEU A 18 14.868 -20.883 -15.375 1.00 0.00 C ATOM 275 O LEU A 18 16.026 -21.287 -15.272 1.00 0.00 O ATOM 276 CB LEU A 18 13.393 -20.849 -13.390 1.00 0.00 C ATOM 277 CG LEU A 18 12.815 -20.038 -12.212 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.417 -21.001 -11.110 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.837 -19.055 -11.655 1.00 0.00 C ATOM 0 H LEU A 18 12.462 -18.987 -14.660 1.00 0.00 H new ATOM 0 HA LEU A 18 15.076 -19.531 -13.745 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.576 -21.281 -13.968 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.983 -21.680 -13.002 1.00 0.00 H new ATOM 0 HG LEU A 18 11.956 -19.472 -12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.006 -20.442 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.665 -21.695 -11.487 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.293 -21.560 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.395 -18.501 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.712 -19.601 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.137 -18.359 -12.438 1.00 0.00 H new ATOM 291 N ILE A 19 14.088 -21.206 -16.389 1.00 0.00 N ATOM 292 CA ILE A 19 14.585 -22.069 -17.441 1.00 0.00 C ATOM 293 C ILE A 19 15.813 -21.436 -18.092 1.00 0.00 C ATOM 294 O ILE A 19 16.809 -22.113 -18.352 1.00 0.00 O ATOM 295 CB ILE A 19 13.482 -22.299 -18.480 1.00 0.00 C ATOM 296 CG1 ILE A 19 13.901 -23.399 -19.464 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.220 -21.001 -19.241 1.00 0.00 C ATOM 298 CD1 ILE A 19 14.006 -24.754 -18.747 1.00 0.00 C ATOM 0 H ILE A 19 13.125 -20.890 -16.506 1.00 0.00 H new ATOM 0 HA ILE A 19 14.874 -23.031 -17.018 1.00 0.00 H new ATOM 0 HB ILE A 19 12.572 -22.613 -17.968 1.00 0.00 H new ATOM 0 HG12 ILE A 19 13.175 -23.465 -20.274 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.860 -23.145 -19.915 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.436 -21.164 -19.980 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.904 -20.227 -18.542 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.133 -20.684 -19.745 1.00 0.00 H new ATOM 0 HD11 ILE A 19 14.304 -25.521 -19.461 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.750 -24.689 -17.953 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.039 -25.014 -18.318 1.00 0.00 H new ATOM 310 N ILE A 20 15.744 -20.128 -18.328 1.00 0.00 N ATOM 311 CA ILE A 20 16.864 -19.403 -18.920 1.00 0.00 C ATOM 312 C ILE A 20 17.920 -19.065 -17.866 1.00 0.00 C ATOM 313 O ILE A 20 19.118 -19.130 -18.145 1.00 0.00 O ATOM 314 CB ILE A 20 16.377 -18.126 -19.606 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.596 -17.328 -20.152 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.551 -17.303 -18.623 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.907 -16.103 -19.284 1.00 0.00 C ATOM 0 H ILE A 20 14.929 -19.552 -18.120 1.00 0.00 H new ATOM 0 HA ILE A 20 17.322 -20.050 -19.668 1.00 0.00 H new ATOM 0 HB ILE A 20 15.738 -18.374 -20.453 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.470 -17.979 -20.189 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.393 -17.008 -21.174 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.204 -16.393 -19.112 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.692 -17.887 -18.291 1.00 0.00 H new ATOM 0 HG23 ILE A 20 16.166 -17.040 -17.762 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.764 -15.572 -19.698 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.042 -15.439 -19.268 1.00 0.00 H new ATOM 0 HD13 ILE A 20 18.136 -16.425 -18.268 1.00 0.00 H new ATOM 329 N PHE A 21 17.481 -18.700 -16.652 1.00 0.00 N ATOM 330 CA PHE A 21 18.420 -18.356 -15.581 1.00 0.00 C ATOM 331 C PHE A 21 18.687 -19.562 -14.678 1.00 0.00 C ATOM 332 O PHE A 21 19.775 -20.136 -14.721 1.00 0.00 O ATOM 333 CB PHE A 21 17.901 -17.174 -14.757 1.00 0.00 C ATOM 334 CG PHE A 21 17.897 -15.927 -15.622 1.00 0.00 C ATOM 335 CD1 PHE A 21 19.104 -15.408 -16.118 1.00 0.00 C ATOM 336 CD2 PHE A 21 16.688 -15.304 -15.950 1.00 0.00 C ATOM 337 CE1 PHE A 21 19.094 -14.268 -16.933 1.00 0.00 C ATOM 338 CE2 PHE A 21 16.679 -14.169 -16.767 1.00 0.00 C ATOM 339 CZ PHE A 21 17.882 -13.652 -17.261 1.00 0.00 C ATOM 0 H PHE A 21 16.497 -18.637 -16.392 1.00 0.00 H new ATOM 0 HA PHE A 21 19.361 -18.062 -16.045 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.895 -17.382 -14.394 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.531 -17.021 -13.881 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.040 -15.887 -15.871 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.758 -15.701 -15.571 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.023 -13.865 -17.308 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.743 -13.691 -17.017 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.874 -12.778 -17.895 1.00 0.00 H new ATOM 349 N GLY A 22 17.695 -19.957 -13.867 1.00 0.00 N ATOM 350 CA GLY A 22 17.851 -21.108 -12.975 1.00 0.00 C ATOM 351 C GLY A 22 17.602 -20.710 -11.516 1.00 0.00 C ATOM 352 O GLY A 22 17.996 -19.622 -11.096 1.00 0.00 O ATOM 0 H GLY A 22 16.785 -19.499 -13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.154 -21.894 -13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.856 -21.518 -13.077 1.00 0.00 H new ATOM 356 N PRO A 23 16.965 -21.557 -10.735 1.00 0.00 N ATOM 357 CA PRO A 23 16.674 -21.266 -9.299 1.00 0.00 C ATOM 358 C PRO A 23 17.935 -21.295 -8.449 1.00 0.00 C ATOM 359 O PRO A 23 17.933 -20.849 -7.303 1.00 0.00 O ATOM 360 CB PRO A 23 15.698 -22.373 -8.888 1.00 0.00 C ATOM 361 CG PRO A 23 16.033 -23.508 -9.793 1.00 0.00 C ATOM 362 CD PRO A 23 16.454 -22.885 -11.119 1.00 0.00 C ATOM 0 HA PRO A 23 16.262 -20.267 -9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.825 -22.647 -7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.662 -22.057 -9.012 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.837 -24.115 -9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.174 -24.165 -9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.220 -23.480 -11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.614 -22.807 -11.809 1.00 0.00 H new ATOM 370 N SER A 24 19.014 -21.820 -9.015 1.00 0.00 N ATOM 371 CA SER A 24 20.279 -21.884 -8.298 1.00 0.00 C ATOM 372 C SER A 24 21.047 -20.580 -8.509 1.00 0.00 C ATOM 373 O SER A 24 22.095 -20.361 -7.903 1.00 0.00 O ATOM 374 CB SER A 24 21.115 -23.074 -8.798 1.00 0.00 C ATOM 375 OG SER A 24 22.324 -23.146 -8.048 1.00 0.00 O ATOM 0 H SER A 24 19.039 -22.204 -9.960 1.00 0.00 H new ATOM 0 HA SER A 24 20.082 -22.021 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.551 -24.001 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.338 -22.957 -9.859 1.00 0.00 H new ATOM 0 HG SER A 24 22.599 -22.243 -7.784 1.00 0.00 H new ATOM 381 N LYS A 25 20.524 -19.726 -9.399 1.00 0.00 N ATOM 382 CA LYS A 25 21.162 -18.462 -9.726 1.00 0.00 C ATOM 383 C LYS A 25 20.655 -17.313 -8.853 1.00 0.00 C ATOM 384 O LYS A 25 21.378 -16.347 -8.620 1.00 0.00 O ATOM 385 CB LYS A 25 20.935 -18.164 -11.211 1.00 0.00 C ATOM 386 CG LYS A 25 21.978 -17.151 -11.696 1.00 0.00 C ATOM 387 CD LYS A 25 23.300 -17.872 -12.071 1.00 0.00 C ATOM 388 CE LYS A 25 24.490 -17.024 -11.630 1.00 0.00 C ATOM 389 NZ LYS A 25 24.447 -15.701 -12.317 1.00 0.00 N ATOM 0 H LYS A 25 19.654 -19.897 -9.904 1.00 0.00 H new ATOM 0 HA LYS A 25 22.229 -18.550 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 25 21.008 -19.083 -11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.931 -17.769 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.594 -16.610 -12.561 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.167 -16.413 -10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.341 -18.850 -11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.341 -18.042 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 25 24.468 -16.884 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.422 -17.537 -11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.369 -15.230 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.233 -15.840 -13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.709 -15.109 -11.885 1.00 0.00 H new ATOM 403 N LEU A 26 19.434 -17.427 -8.355 1.00 0.00 N ATOM 404 CA LEU A 26 18.887 -16.404 -7.494 1.00 0.00 C ATOM 405 C LEU A 26 19.662 -16.372 -6.163 1.00 0.00 C ATOM 406 O LEU A 26 20.132 -15.311 -5.761 1.00 0.00 O ATOM 407 CB LEU A 26 17.382 -16.638 -7.286 1.00 0.00 C ATOM 408 CG LEU A 26 16.693 -16.922 -8.629 1.00 0.00 C ATOM 409 CD1 LEU A 26 15.236 -17.317 -8.360 1.00 0.00 C ATOM 410 CD2 LEU A 26 16.736 -15.672 -9.528 1.00 0.00 C ATOM 0 H LEU A 26 18.810 -18.214 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 26 19.000 -15.427 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 26 17.228 -17.477 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.933 -15.762 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 26 17.213 -17.732 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.734 -17.522 -9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.210 -18.210 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.726 -16.501 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.244 -15.889 -10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.221 -14.849 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.773 -15.392 -9.713 1.00 0.00 H new ATOM 422 N PRO A 27 19.851 -17.494 -5.481 1.00 0.00 N ATOM 423 CA PRO A 27 20.631 -17.499 -4.217 1.00 0.00 C ATOM 424 C PRO A 27 21.899 -16.650 -4.353 1.00 0.00 C ATOM 425 O PRO A 27 22.188 -15.801 -3.513 1.00 0.00 O ATOM 426 CB PRO A 27 21.003 -18.985 -3.998 1.00 0.00 C ATOM 427 CG PRO A 27 20.205 -19.805 -4.981 1.00 0.00 C ATOM 428 CD PRO A 27 19.327 -18.845 -5.797 1.00 0.00 C ATOM 0 HA PRO A 27 20.065 -17.079 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 27 22.071 -19.139 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.779 -19.289 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.870 -20.365 -5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.587 -20.534 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.395 -19.056 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.277 -18.937 -5.520 1.00 0.00 H new ATOM 436 N GLU A 28 22.646 -16.898 -5.422 1.00 0.00 N ATOM 437 CA GLU A 28 23.880 -16.169 -5.670 1.00 0.00 C ATOM 438 C GLU A 28 23.616 -14.681 -5.856 1.00 0.00 C ATOM 439 O GLU A 28 24.338 -13.845 -5.311 1.00 0.00 O ATOM 440 CB GLU A 28 24.588 -16.752 -6.895 1.00 0.00 C ATOM 441 CG GLU A 28 25.822 -15.918 -7.202 1.00 0.00 C ATOM 442 CD GLU A 28 26.649 -16.587 -8.288 1.00 0.00 C ATOM 443 OE1 GLU A 28 26.415 -17.754 -8.547 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.508 -15.922 -8.840 1.00 0.00 O ATOM 0 H GLU A 28 22.418 -17.597 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 28 24.527 -16.279 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.872 -17.788 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.914 -16.756 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.525 -14.920 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 28 26.422 -15.797 -6.300 1.00 0.00 H new ATOM 451 N ILE A 29 22.588 -14.359 -6.619 1.00 0.00 N ATOM 452 CA ILE A 29 22.241 -12.969 -6.866 1.00 0.00 C ATOM 453 C ILE A 29 21.795 -12.298 -5.574 1.00 0.00 C ATOM 454 O ILE A 29 22.174 -11.164 -5.289 1.00 0.00 O ATOM 455 CB ILE A 29 21.110 -12.899 -7.889 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.628 -13.369 -9.240 1.00 0.00 C ATOM 457 CG2 ILE A 29 20.607 -11.459 -8.017 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.447 -13.640 -10.173 1.00 0.00 C ATOM 0 H ILE A 29 21.980 -15.037 -7.078 1.00 0.00 H new ATOM 0 HA ILE A 29 23.119 -12.450 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 29 20.290 -13.537 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.282 -12.612 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.224 -14.273 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 29 19.800 -11.419 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.238 -11.115 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.424 -10.816 -8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 29 20.818 -13.977 -11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 29 19.811 -14.412 -9.740 1.00 0.00 H new ATOM 0 HD13 ILE A 29 19.869 -12.725 -10.304 1.00 0.00 H new ATOM 470 N GLY A 30 20.976 -13.005 -4.804 1.00 0.00 N ATOM 471 CA GLY A 30 20.466 -12.468 -3.548 1.00 0.00 C ATOM 472 C GLY A 30 21.607 -12.140 -2.598 1.00 0.00 C ATOM 473 O GLY A 30 21.611 -11.090 -1.957 1.00 0.00 O ATOM 0 H GLY A 30 20.652 -13.947 -5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.879 -11.570 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.796 -13.192 -3.083 1.00 0.00 H new ATOM 477 N ARG A 31 22.575 -13.041 -2.514 1.00 0.00 N ATOM 478 CA ARG A 31 23.719 -12.835 -1.643 1.00 0.00 C ATOM 479 C ARG A 31 24.514 -11.629 -2.093 1.00 0.00 C ATOM 480 O ARG A 31 24.860 -10.764 -1.293 1.00 0.00 O ATOM 481 CB ARG A 31 24.621 -14.047 -1.750 1.00 0.00 C ATOM 482 CG ARG A 31 23.968 -15.243 -1.066 1.00 0.00 C ATOM 483 CD ARG A 31 24.650 -16.510 -1.538 1.00 0.00 C ATOM 484 NE ARG A 31 24.397 -17.606 -0.606 1.00 0.00 N ATOM 485 CZ ARG A 31 23.285 -18.329 -0.682 1.00 0.00 C ATOM 486 NH1 ARG A 31 22.396 -18.055 -1.592 1.00 0.00 N ATOM 487 NH2 ARG A 31 23.080 -19.310 0.153 1.00 0.00 N ATOM 0 H ARG A 31 22.590 -13.917 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 31 23.367 -12.682 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.813 -14.277 -2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.585 -13.835 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.052 -15.150 0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.904 -15.277 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 31 24.286 -16.778 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.723 -16.341 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 31 25.086 -17.820 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 31 22.554 -17.287 -2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 31 21.541 -18.608 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 31 23.775 -19.525 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.225 -19.862 0.091 1.00 0.00 H new ATOM 501 N ALA A 32 24.805 -11.594 -3.382 1.00 0.00 N ATOM 502 CA ALA A 32 25.579 -10.499 -3.937 1.00 0.00 C ATOM 503 C ALA A 32 24.829 -9.190 -3.736 1.00 0.00 C ATOM 504 O ALA A 32 25.406 -8.181 -3.333 1.00 0.00 O ATOM 505 CB ALA A 32 25.817 -10.732 -5.430 1.00 0.00 C ATOM 0 H ALA A 32 24.520 -12.303 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 32 26.541 -10.447 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 32 26.399 -9.906 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 32 26.363 -11.665 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.859 -10.792 -5.946 1.00 0.00 H new ATOM 511 N ALA A 33 23.529 -9.231 -3.992 1.00 0.00 N ATOM 512 CA ALA A 33 22.680 -8.063 -3.811 1.00 0.00 C ATOM 513 C ALA A 33 22.592 -7.720 -2.335 1.00 0.00 C ATOM 514 O ALA A 33 22.341 -6.575 -1.959 1.00 0.00 O ATOM 515 CB ALA A 33 21.271 -8.350 -4.336 1.00 0.00 C ATOM 0 H ALA A 33 23.039 -10.061 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 33 23.112 -7.228 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.644 -7.469 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.321 -8.595 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.843 -9.191 -3.790 1.00 0.00 H new ATOM 521 N GLY A 34 22.750 -8.744 -1.508 1.00 0.00 N ATOM 522 CA GLY A 34 22.634 -8.575 -0.077 1.00 0.00 C ATOM 523 C GLY A 34 23.559 -7.476 0.430 1.00 0.00 C ATOM 524 O GLY A 34 23.140 -6.602 1.186 1.00 0.00 O ATOM 0 H GLY A 34 22.958 -9.696 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.603 -8.332 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.874 -9.514 0.422 1.00 0.00 H new ATOM 528 N ARG A 35 24.814 -7.524 0.010 1.00 0.00 N ATOM 529 CA ARG A 35 25.790 -6.524 0.430 1.00 0.00 C ATOM 530 C ARG A 35 25.423 -5.150 -0.102 1.00 0.00 C ATOM 531 O ARG A 35 25.527 -4.158 0.610 1.00 0.00 O ATOM 532 CB ARG A 35 27.180 -6.917 -0.068 1.00 0.00 C ATOM 533 CG ARG A 35 27.705 -8.084 0.762 1.00 0.00 C ATOM 534 CD ARG A 35 26.831 -9.324 0.560 1.00 0.00 C ATOM 535 NE ARG A 35 27.570 -10.524 0.928 1.00 0.00 N ATOM 536 CZ ARG A 35 28.579 -10.966 0.185 1.00 0.00 C ATOM 537 NH1 ARG A 35 28.925 -10.319 -0.894 1.00 0.00 N ATOM 538 NH2 ARG A 35 29.226 -12.043 0.537 1.00 0.00 N ATOM 0 H ARG A 35 25.181 -8.239 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 35 25.791 -6.481 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 35 27.136 -7.196 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.859 -6.068 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 35 28.733 -8.307 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.719 -7.810 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 35 25.928 -9.244 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 35 26.513 -9.388 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 35 27.308 -11.034 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 35 28.421 -9.475 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 35 29.699 -10.657 -1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 35 28.957 -12.546 1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 35 30.001 -12.382 -0.034 1.00 0.00 H new ATOM 552 N THR A 36 24.989 -5.119 -1.351 1.00 0.00 N ATOM 553 CA THR A 36 24.590 -3.880 -2.008 1.00 0.00 C ATOM 554 C THR A 36 23.370 -3.276 -1.312 1.00 0.00 C ATOM 555 O THR A 36 23.276 -2.064 -1.121 1.00 0.00 O ATOM 556 CB THR A 36 24.280 -4.190 -3.481 1.00 0.00 C ATOM 557 OG1 THR A 36 25.496 -4.281 -4.207 1.00 0.00 O ATOM 558 CG2 THR A 36 23.391 -3.106 -4.096 1.00 0.00 C ATOM 0 H THR A 36 24.903 -5.948 -1.939 1.00 0.00 H new ATOM 0 HA THR A 36 25.397 -3.150 -1.949 1.00 0.00 H new ATOM 0 HB THR A 36 23.744 -5.138 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 36 25.302 -4.480 -5.147 1.00 0.00 H new ATOM 0 HG21 THR A 36 23.187 -3.351 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 36 22.452 -3.051 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 36 23.900 -2.144 -4.042 1.00 0.00 H new ATOM 566 N LEU A 37 22.426 -4.132 -0.971 1.00 0.00 N ATOM 567 CA LEU A 37 21.208 -3.692 -0.320 1.00 0.00 C ATOM 568 C LEU A 37 21.488 -3.108 1.061 1.00 0.00 C ATOM 569 O LEU A 37 20.859 -2.139 1.482 1.00 0.00 O ATOM 570 CB LEU A 37 20.251 -4.864 -0.210 1.00 0.00 C ATOM 571 CG LEU A 37 19.733 -5.237 -1.615 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.314 -6.706 -1.643 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.513 -4.375 -1.981 1.00 0.00 C ATOM 0 H LEU A 37 22.480 -5.137 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 37 20.760 -2.902 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.755 -5.718 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.416 -4.606 0.441 1.00 0.00 H new ATOM 0 HG LEU A 37 20.535 -5.062 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.950 -6.962 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.171 -7.334 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.522 -6.872 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.159 -4.649 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.718 -4.541 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.796 -3.322 -1.975 1.00 0.00 H new ATOM 585 N LEU A 38 22.435 -3.712 1.758 1.00 0.00 N ATOM 586 CA LEU A 38 22.802 -3.257 3.094 1.00 0.00 C ATOM 587 C LEU A 38 23.258 -1.813 3.032 1.00 0.00 C ATOM 588 O LEU A 38 23.022 -1.029 3.942 1.00 0.00 O ATOM 589 CB LEU A 38 23.935 -4.128 3.651 1.00 0.00 C ATOM 590 CG LEU A 38 23.364 -5.463 4.142 1.00 0.00 C ATOM 591 CD1 LEU A 38 24.512 -6.453 4.420 1.00 0.00 C ATOM 592 CD2 LEU A 38 22.520 -5.252 5.422 1.00 0.00 C ATOM 0 H LEU A 38 22.965 -4.517 1.425 1.00 0.00 H new ATOM 0 HA LEU A 38 21.934 -3.337 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 38 24.685 -4.303 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.435 -3.612 4.470 1.00 0.00 H new ATOM 0 HG LEU A 38 22.718 -5.875 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 24.100 -7.400 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 38 25.079 -6.619 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 38 25.171 -6.041 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.122 -6.210 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.147 -4.825 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 38 21.696 -4.572 5.206 1.00 0.00 H new ATOM 604 N GLU A 39 23.936 -1.476 1.961 1.00 0.00 N ATOM 605 CA GLU A 39 24.432 -0.125 1.785 1.00 0.00 C ATOM 606 C GLU A 39 23.279 0.819 1.427 1.00 0.00 C ATOM 607 O GLU A 39 23.371 2.028 1.641 1.00 0.00 O ATOM 608 CB GLU A 39 25.528 -0.095 0.701 1.00 0.00 C ATOM 609 CG GLU A 39 26.041 -1.505 0.461 1.00 0.00 C ATOM 610 CD GLU A 39 27.339 -1.472 -0.341 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.295 -1.048 -1.483 1.00 0.00 O ATOM 612 OE2 GLU A 39 28.357 -1.871 0.201 1.00 0.00 O ATOM 0 H GLU A 39 24.158 -2.115 1.197 1.00 0.00 H new ATOM 0 HA GLU A 39 24.873 0.216 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 39 25.128 0.321 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.347 0.553 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 39 26.209 -2.005 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.290 -2.085 -0.075 1.00 0.00 H new ATOM 619 N PHE A 40 22.202 0.264 0.861 1.00 0.00 N ATOM 620 CA PHE A 40 21.059 1.078 0.462 1.00 0.00 C ATOM 621 C PHE A 40 20.328 1.667 1.671 1.00 0.00 C ATOM 622 O PHE A 40 20.063 2.867 1.721 1.00 0.00 O ATOM 623 CB PHE A 40 20.098 0.208 -0.376 1.00 0.00 C ATOM 624 CG PHE A 40 20.004 0.709 -1.806 1.00 0.00 C ATOM 625 CD1 PHE A 40 19.683 2.049 -2.057 1.00 0.00 C ATOM 626 CD2 PHE A 40 20.237 -0.168 -2.875 1.00 0.00 C ATOM 627 CE1 PHE A 40 19.602 2.514 -3.375 1.00 0.00 C ATOM 628 CE2 PHE A 40 20.154 0.298 -4.193 1.00 0.00 C ATOM 629 CZ PHE A 40 19.834 1.639 -4.443 1.00 0.00 C ATOM 0 H PHE A 40 22.102 -0.733 0.672 1.00 0.00 H new ATOM 0 HA PHE A 40 21.420 1.918 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 40 20.444 -0.826 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 40 19.108 0.214 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 40 19.498 2.723 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 40 20.480 -1.202 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 40 19.360 3.549 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 40 20.337 -0.376 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 40 19.766 1.998 -5.459 1.00 0.00 H new ATOM 639 N LYS A 41 19.995 0.815 2.629 1.00 0.00 N ATOM 640 CA LYS A 41 19.281 1.267 3.813 1.00 0.00 C ATOM 641 C LYS A 41 20.141 2.226 4.620 1.00 0.00 C ATOM 642 O LYS A 41 19.641 3.173 5.227 1.00 0.00 O ATOM 643 CB LYS A 41 18.879 0.082 4.682 1.00 0.00 C ATOM 644 CG LYS A 41 20.112 -0.788 5.006 1.00 0.00 C ATOM 645 CD LYS A 41 20.335 -0.859 6.523 1.00 0.00 C ATOM 646 CE LYS A 41 21.500 -1.794 6.818 1.00 0.00 C ATOM 647 NZ LYS A 41 21.018 -3.203 6.811 1.00 0.00 N ATOM 0 H LYS A 41 20.205 -0.183 2.611 1.00 0.00 H new ATOM 0 HA LYS A 41 18.380 1.787 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.424 0.438 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.128 -0.517 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.972 -1.792 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.995 -0.372 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.543 0.135 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.432 -1.217 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.284 -1.663 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.938 -1.553 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.759 -3.825 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.164 -3.281 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.793 -3.488 5.836 1.00 0.00 H new ATOM 661 N SER A 42 21.438 1.969 4.618 1.00 0.00 N ATOM 662 CA SER A 42 22.374 2.804 5.348 1.00 0.00 C ATOM 663 C SER A 42 22.396 4.203 4.744 1.00 0.00 C ATOM 664 O SER A 42 22.437 5.200 5.465 1.00 0.00 O ATOM 665 CB SER A 42 23.762 2.187 5.286 1.00 0.00 C ATOM 666 OG SER A 42 23.800 1.029 6.108 1.00 0.00 O ATOM 0 H SER A 42 21.866 1.189 4.119 1.00 0.00 H new ATOM 0 HA SER A 42 22.061 2.874 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.010 1.925 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.508 2.908 5.620 1.00 0.00 H new ATOM 0 HG SER A 42 23.585 0.239 5.570 1.00 0.00 H new ATOM 672 N ALA A 43 22.348 4.269 3.417 1.00 0.00 N ATOM 673 CA ALA A 43 22.339 5.554 2.727 1.00 0.00 C ATOM 674 C ALA A 43 21.018 6.267 2.992 1.00 0.00 C ATOM 675 O ALA A 43 20.977 7.479 3.200 1.00 0.00 O ATOM 676 CB ALA A 43 22.527 5.344 1.224 1.00 0.00 C ATOM 0 H ALA A 43 22.315 3.455 2.803 1.00 0.00 H new ATOM 0 HA ALA A 43 23.159 6.167 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 43 22.519 6.309 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.480 4.847 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 43 21.716 4.726 0.839 1.00 0.00 H new ATOM 682 N THR A 44 19.942 5.492 2.980 1.00 0.00 N ATOM 683 CA THR A 44 18.611 6.017 3.224 1.00 0.00 C ATOM 684 C THR A 44 18.493 6.579 4.638 1.00 0.00 C ATOM 685 O THR A 44 17.924 7.652 4.845 1.00 0.00 O ATOM 686 CB THR A 44 17.603 4.887 3.007 1.00 0.00 C ATOM 687 OG1 THR A 44 17.371 4.718 1.615 1.00 0.00 O ATOM 688 CG2 THR A 44 16.291 5.191 3.722 1.00 0.00 C ATOM 0 H THR A 44 19.969 4.488 2.802 1.00 0.00 H new ATOM 0 HA THR A 44 18.409 6.836 2.534 1.00 0.00 H new ATOM 0 HB THR A 44 18.013 3.966 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.727 3.993 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.588 4.375 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.475 5.298 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.870 6.118 3.332 1.00 0.00 H new ATOM 696 N LYS A 45 19.021 5.843 5.603 1.00 0.00 N ATOM 697 CA LYS A 45 18.959 6.269 6.992 1.00 0.00 C ATOM 698 C LYS A 45 19.565 7.654 7.127 1.00 0.00 C ATOM 699 O LYS A 45 19.176 8.428 7.991 1.00 0.00 O ATOM 700 CB LYS A 45 19.723 5.277 7.877 1.00 0.00 C ATOM 701 CG LYS A 45 19.895 5.845 9.314 1.00 0.00 C ATOM 702 CD LYS A 45 21.316 6.399 9.509 1.00 0.00 C ATOM 703 CE LYS A 45 22.286 5.261 9.840 1.00 0.00 C ATOM 704 NZ LYS A 45 23.660 5.815 10.008 1.00 0.00 N ATOM 0 H LYS A 45 19.495 4.953 5.452 1.00 0.00 H new ATOM 0 HA LYS A 45 17.918 6.299 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.187 4.329 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.701 5.072 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.164 6.634 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.700 5.062 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.641 6.912 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.320 7.136 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.972 4.755 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.277 4.517 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.320 5.044 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.957 6.279 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.662 6.509 10.782 1.00 0.00 H new ATOM 718 N SER A 46 20.531 7.954 6.276 1.00 0.00 N ATOM 719 CA SER A 46 21.193 9.248 6.315 1.00 0.00 C ATOM 720 C SER A 46 20.320 10.344 5.687 1.00 0.00 C ATOM 721 O SER A 46 20.429 11.515 6.051 1.00 0.00 O ATOM 722 CB SER A 46 22.529 9.150 5.588 1.00 0.00 C ATOM 723 OG SER A 46 23.506 8.622 6.476 1.00 0.00 O ATOM 0 H SER A 46 20.874 7.323 5.552 1.00 0.00 H new ATOM 0 HA SER A 46 21.361 9.522 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.433 8.510 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 46 22.837 10.134 5.233 1.00 0.00 H new ATOM 0 HG SER A 46 24.367 8.555 6.013 1.00 0.00 H new ATOM 729 N LEU A 47 19.465 9.961 4.740 1.00 0.00 N ATOM 730 CA LEU A 47 18.594 10.921 4.068 1.00 0.00 C ATOM 731 C LEU A 47 17.503 11.422 5.006 1.00 0.00 C ATOM 732 O LEU A 47 17.076 12.573 4.925 1.00 0.00 O ATOM 733 CB LEU A 47 17.943 10.268 2.860 1.00 0.00 C ATOM 734 CG LEU A 47 19.003 9.890 1.813 1.00 0.00 C ATOM 735 CD1 LEU A 47 18.333 9.113 0.670 1.00 0.00 C ATOM 736 CD2 LEU A 47 19.681 11.158 1.253 1.00 0.00 C ATOM 0 H LEU A 47 19.358 8.998 4.423 1.00 0.00 H new ATOM 0 HA LEU A 47 19.205 11.767 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.397 9.377 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.215 10.950 2.419 1.00 0.00 H new ATOM 0 HG LEU A 47 19.763 9.268 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.082 8.843 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.873 8.208 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.568 9.736 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.429 10.874 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.931 11.795 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 47 20.163 11.702 2.065 1.00 0.00 H new ATOM 748 N VAL A 48 17.044 10.539 5.879 1.00 0.00 N ATOM 749 CA VAL A 48 15.983 10.877 6.820 1.00 0.00 C ATOM 750 C VAL A 48 16.222 12.257 7.429 1.00 0.00 C ATOM 751 O VAL A 48 15.312 13.081 7.513 1.00 0.00 O ATOM 752 CB VAL A 48 15.904 9.807 7.925 1.00 0.00 C ATOM 753 CG1 VAL A 48 16.046 8.418 7.307 1.00 0.00 C ATOM 754 CG2 VAL A 48 17.021 10.027 8.953 1.00 0.00 C ATOM 0 H VAL A 48 17.388 9.582 5.957 1.00 0.00 H new ATOM 0 HA VAL A 48 15.034 10.903 6.284 1.00 0.00 H new ATOM 0 HB VAL A 48 14.939 9.886 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.990 7.663 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.242 8.255 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.007 8.342 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.956 9.265 9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.990 9.959 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.912 11.014 9.403 1.00 0.00 H new ATOM 764 N SER A 49 17.458 12.499 7.835 1.00 0.00 N ATOM 765 CA SER A 49 17.835 13.771 8.417 1.00 0.00 C ATOM 766 C SER A 49 18.030 14.810 7.325 1.00 0.00 C ATOM 767 O SER A 49 17.658 15.973 7.478 1.00 0.00 O ATOM 768 CB SER A 49 19.125 13.605 9.213 1.00 0.00 C ATOM 769 OG SER A 49 19.294 14.722 10.077 1.00 0.00 O ATOM 0 H SER A 49 18.220 11.824 7.770 1.00 0.00 H new ATOM 0 HA SER A 49 17.041 14.108 9.083 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.091 12.684 9.794 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.975 13.523 8.536 1.00 0.00 H new ATOM 0 HG SER A 49 20.122 14.616 10.590 1.00 0.00 H new ATOM 775 N GLY A 50 18.633 14.375 6.222 1.00 0.00 N ATOM 776 CA GLY A 50 18.895 15.267 5.102 1.00 0.00 C ATOM 777 C GLY A 50 17.666 15.422 4.221 1.00 0.00 C ATOM 778 O GLY A 50 17.774 15.614 3.010 1.00 0.00 O ATOM 0 H GLY A 50 18.947 13.415 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.203 16.244 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.723 14.877 4.510 1.00 0.00 H new ATOM 782 N ASP A 51 16.498 15.343 4.844 1.00 0.00 N ATOM 783 CA ASP A 51 15.235 15.480 4.121 1.00 0.00 C ATOM 784 C ASP A 51 14.750 16.926 4.154 1.00 0.00 C ATOM 785 O ASP A 51 14.354 17.434 5.204 1.00 0.00 O ATOM 786 CB ASP A 51 14.179 14.579 4.745 1.00 0.00 C ATOM 787 CG ASP A 51 12.955 14.503 3.839 1.00 0.00 C ATOM 788 OD1 ASP A 51 12.915 15.242 2.869 1.00 0.00 O ATOM 789 OD2 ASP A 51 12.076 13.708 4.128 1.00 0.00 O ATOM 0 H ASP A 51 16.396 15.185 5.847 1.00 0.00 H new ATOM 0 HA ASP A 51 15.400 15.187 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.588 13.581 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.893 14.964 5.724 1.00 0.00 H new ATOM 794 N GLU A 52 14.781 17.584 3.000 1.00 0.00 N ATOM 795 CA GLU A 52 14.341 18.970 2.908 1.00 0.00 C ATOM 796 C GLU A 52 12.824 19.061 3.035 1.00 0.00 C ATOM 797 O GLU A 52 12.334 18.946 4.146 1.00 0.00 O ATOM 798 CB GLU A 52 14.779 19.566 1.573 1.00 0.00 C ATOM 799 CG GLU A 52 16.307 19.652 1.513 1.00 0.00 C ATOM 800 CD GLU A 52 16.822 20.651 2.545 1.00 0.00 C ATOM 801 OE1 GLU A 52 16.046 21.495 2.962 1.00 0.00 O ATOM 802 OE2 GLU A 52 17.985 20.558 2.903 1.00 0.00 O ATOM 0 H GLU A 52 15.104 17.182 2.120 1.00 0.00 H new ATOM 0 HA GLU A 52 14.796 19.531 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.409 18.952 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.346 20.558 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.741 18.670 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.622 19.955 0.515 1.00 0.00 H new TER 809 GLU A 52