USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=10 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+ 145:sc= 1.71 (180deg=-1.76!) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.611! K(o=1.1!,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.185) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= -0.67 (180deg=-0.721) USER MOD Single : A 42 SER OG : rot 180:sc= 0 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 -9.371 -11.031 -15.536 1.00 0.00 N ATOM 2 CA MET A 1 -8.521 -11.573 -16.635 1.00 0.00 C ATOM 3 C MET A 1 -7.229 -12.131 -16.044 1.00 0.00 C ATOM 4 O MET A 1 -7.223 -13.207 -15.448 1.00 0.00 O ATOM 5 CB MET A 1 -8.206 -10.450 -17.633 1.00 0.00 C ATOM 6 CG MET A 1 -8.004 -9.137 -16.876 1.00 0.00 C ATOM 7 SD MET A 1 -9.564 -8.219 -16.799 1.00 0.00 S ATOM 8 CE MET A 1 -9.416 -7.396 -18.403 1.00 0.00 C ATOM 0 H1 MET A 1 -9.885 -10.193 -15.876 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.053 -11.756 -15.234 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.769 -10.765 -14.730 1.00 0.00 H new ATOM 0 HA MET A 1 -9.049 -12.373 -17.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.309 -10.696 -18.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.020 -10.347 -18.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.642 -9.341 -15.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.243 -8.535 -17.372 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.288 -6.764 -18.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.515 -6.783 -18.415 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.356 -8.145 -19.192 1.00 0.00 H new ATOM 20 N PHE A 2 -6.139 -11.393 -16.217 1.00 0.00 N ATOM 21 CA PHE A 2 -4.853 -11.822 -15.703 1.00 0.00 C ATOM 22 C PHE A 2 -4.751 -11.550 -14.209 1.00 0.00 C ATOM 23 O PHE A 2 -3.756 -11.890 -13.572 1.00 0.00 O ATOM 24 CB PHE A 2 -3.745 -11.085 -16.428 1.00 0.00 C ATOM 25 CG PHE A 2 -3.782 -11.422 -17.902 1.00 0.00 C ATOM 26 CD1 PHE A 2 -3.235 -12.628 -18.362 1.00 0.00 C ATOM 27 CD2 PHE A 2 -4.364 -10.528 -18.811 1.00 0.00 C ATOM 28 CE1 PHE A 2 -3.271 -12.938 -19.727 1.00 0.00 C ATOM 29 CE2 PHE A 2 -4.400 -10.841 -20.177 1.00 0.00 C ATOM 30 CZ PHE A 2 -3.853 -12.045 -20.634 1.00 0.00 C ATOM 0 H PHE A 2 -6.124 -10.499 -16.708 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.754 -12.895 -15.869 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.860 -10.010 -16.289 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.778 -11.360 -16.007 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.786 -13.318 -17.663 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.785 -9.598 -18.459 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.849 -13.867 -20.080 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.850 -10.153 -20.877 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.880 -12.285 -21.687 1.00 0.00 H new ATOM 40 N SER A 3 -5.784 -10.927 -13.654 1.00 0.00 N ATOM 41 CA SER A 3 -5.808 -10.613 -12.228 1.00 0.00 C ATOM 42 C SER A 3 -6.551 -11.705 -11.460 1.00 0.00 C ATOM 43 O SER A 3 -6.353 -11.881 -10.260 1.00 0.00 O ATOM 44 CB SER A 3 -6.474 -9.255 -12.011 1.00 0.00 C ATOM 45 OG SER A 3 -5.487 -8.234 -12.068 1.00 0.00 O ATOM 0 H SER A 3 -6.614 -10.630 -14.167 1.00 0.00 H new ATOM 0 HA SER A 3 -4.785 -10.567 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.235 -9.084 -12.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.979 -9.235 -11.045 1.00 0.00 H new ATOM 0 HG SER A 3 -5.911 -7.361 -11.931 1.00 0.00 H new ATOM 51 N ASN A 4 -7.412 -12.426 -12.168 1.00 0.00 N ATOM 52 CA ASN A 4 -8.192 -13.492 -11.552 1.00 0.00 C ATOM 53 C ASN A 4 -7.290 -14.641 -11.126 1.00 0.00 C ATOM 54 O ASN A 4 -7.557 -15.315 -10.131 1.00 0.00 O ATOM 55 CB ASN A 4 -9.251 -14.002 -12.524 1.00 0.00 C ATOM 56 CG ASN A 4 -10.294 -12.918 -12.788 1.00 0.00 C ATOM 57 OD1 ASN A 4 -10.881 -12.874 -13.869 1.00 0.00 O ATOM 58 ND2 ASN A 4 -10.562 -12.038 -11.863 1.00 0.00 N ATOM 0 H ASN A 4 -7.587 -12.293 -13.164 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.684 -13.086 -10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.781 -14.300 -13.461 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.734 -14.889 -12.114 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.258 -11.313 -12.035 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.075 -12.075 -10.967 1.00 0.00 H new ATOM 65 N ILE A 5 -6.227 -14.866 -11.884 1.00 0.00 N ATOM 66 CA ILE A 5 -5.309 -15.941 -11.572 1.00 0.00 C ATOM 67 C ILE A 5 -4.722 -15.758 -10.168 1.00 0.00 C ATOM 68 O ILE A 5 -4.726 -16.692 -9.364 1.00 0.00 O ATOM 69 CB ILE A 5 -4.186 -15.966 -12.623 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.359 -14.675 -12.523 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.794 -16.081 -14.028 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.549 -14.443 -13.812 1.00 0.00 C ATOM 0 H ILE A 5 -5.984 -14.322 -12.712 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.846 -16.889 -11.591 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.540 -16.825 -12.440 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.020 -13.827 -12.346 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.684 -14.736 -11.670 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.995 -16.098 -14.770 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.375 -17.000 -14.099 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.444 -15.226 -14.214 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.971 -13.523 -13.718 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.872 -15.282 -13.972 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.230 -14.359 -14.659 1.00 0.00 H new ATOM 84 N GLY A 6 -4.232 -14.544 -9.888 1.00 0.00 N ATOM 85 CA GLY A 6 -3.625 -14.220 -8.586 1.00 0.00 C ATOM 86 C GLY A 6 -2.105 -14.224 -8.713 1.00 0.00 C ATOM 87 O GLY A 6 -1.533 -13.494 -9.526 1.00 0.00 O ATOM 0 H GLY A 6 -4.243 -13.765 -10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.969 -13.243 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.939 -14.946 -7.836 1.00 0.00 H new ATOM 91 N ILE A 7 -1.476 -15.096 -7.928 1.00 0.00 N ATOM 92 CA ILE A 7 -0.030 -15.287 -7.948 1.00 0.00 C ATOM 93 C ILE A 7 0.377 -16.424 -8.911 1.00 0.00 C ATOM 94 O ILE A 7 1.517 -16.443 -9.384 1.00 0.00 O ATOM 95 CB ILE A 7 0.489 -15.584 -6.518 1.00 0.00 C ATOM 96 CG1 ILE A 7 2.019 -15.417 -6.488 1.00 0.00 C ATOM 97 CG2 ILE A 7 0.127 -17.015 -6.043 1.00 0.00 C ATOM 98 CD1 ILE A 7 2.421 -13.949 -6.707 1.00 0.00 C ATOM 0 H ILE A 7 -1.959 -15.693 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 7 0.425 -14.365 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 7 0.007 -14.878 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.407 -15.764 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.471 -16.040 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.513 -17.173 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.956 -17.134 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.570 -17.746 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.507 -13.861 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.053 -13.612 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.988 -13.332 -5.920 1.00 0.00 H new ATOM 110 N PRO A 8 -0.503 -17.377 -9.211 1.00 0.00 N ATOM 111 CA PRO A 8 -0.157 -18.515 -10.117 1.00 0.00 C ATOM 112 C PRO A 8 0.483 -18.046 -11.421 1.00 0.00 C ATOM 113 O PRO A 8 1.421 -18.667 -11.920 1.00 0.00 O ATOM 114 CB PRO A 8 -1.506 -19.198 -10.390 1.00 0.00 C ATOM 115 CG PRO A 8 -2.361 -18.860 -9.216 1.00 0.00 C ATOM 116 CD PRO A 8 -1.900 -17.475 -8.743 1.00 0.00 C ATOM 0 HA PRO A 8 0.578 -19.180 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.950 -18.836 -11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.387 -20.277 -10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.415 -18.847 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.248 -19.601 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.518 -16.684 -9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.964 -17.383 -7.659 1.00 0.00 H new ATOM 124 N GLY A 9 -0.034 -16.955 -11.962 1.00 0.00 N ATOM 125 CA GLY A 9 0.488 -16.412 -13.206 1.00 0.00 C ATOM 126 C GLY A 9 1.940 -15.988 -13.048 1.00 0.00 C ATOM 127 O GLY A 9 2.736 -16.089 -13.980 1.00 0.00 O ATOM 0 H GLY A 9 -0.811 -16.430 -11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.407 -17.159 -13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.113 -15.557 -13.514 1.00 0.00 H new ATOM 131 N LEU A 10 2.270 -15.494 -11.861 1.00 0.00 N ATOM 132 CA LEU A 10 3.619 -15.034 -11.586 1.00 0.00 C ATOM 133 C LEU A 10 4.611 -16.180 -11.694 1.00 0.00 C ATOM 134 O LEU A 10 5.700 -16.016 -12.240 1.00 0.00 O ATOM 135 CB LEU A 10 3.689 -14.414 -10.183 1.00 0.00 C ATOM 136 CG LEU A 10 5.096 -13.802 -9.932 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.976 -12.497 -9.130 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.970 -14.785 -9.138 1.00 0.00 C ATOM 0 H LEU A 10 1.622 -15.403 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 10 3.881 -14.278 -12.326 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.926 -13.642 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.476 -15.174 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 10 5.553 -13.599 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.969 -12.080 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.372 -11.781 -9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.502 -12.702 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.952 -14.344 -8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.498 -14.998 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.080 -15.711 -9.702 1.00 0.00 H new ATOM 150 N ILE A 11 4.233 -17.341 -11.168 1.00 0.00 N ATOM 151 CA ILE A 11 5.110 -18.500 -11.208 1.00 0.00 C ATOM 152 C ILE A 11 5.414 -18.866 -12.649 1.00 0.00 C ATOM 153 O ILE A 11 6.558 -19.125 -12.988 1.00 0.00 O ATOM 154 CB ILE A 11 4.438 -19.692 -10.485 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.633 -19.574 -8.965 1.00 0.00 C ATOM 156 CG2 ILE A 11 5.018 -21.030 -10.970 1.00 0.00 C ATOM 157 CD1 ILE A 11 4.275 -18.165 -8.491 1.00 0.00 C ATOM 0 H ILE A 11 3.334 -17.501 -10.714 1.00 0.00 H new ATOM 0 HA ILE A 11 6.044 -18.261 -10.700 1.00 0.00 H new ATOM 0 HB ILE A 11 3.374 -19.665 -10.719 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.009 -20.307 -8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.667 -19.800 -8.706 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.528 -21.850 -10.446 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.849 -21.132 -12.042 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.089 -21.058 -10.767 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.418 -18.097 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.918 -17.439 -8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.233 -17.953 -8.733 1.00 0.00 H new ATOM 169 N LEU A 12 4.401 -18.876 -13.494 1.00 0.00 N ATOM 170 CA LEU A 12 4.609 -19.226 -14.883 1.00 0.00 C ATOM 171 C LEU A 12 5.604 -18.268 -15.509 1.00 0.00 C ATOM 172 O LEU A 12 6.525 -18.691 -16.201 1.00 0.00 O ATOM 173 CB LEU A 12 3.282 -19.153 -15.627 1.00 0.00 C ATOM 174 CG LEU A 12 3.455 -19.636 -17.074 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.825 -21.130 -17.098 1.00 0.00 C ATOM 176 CD2 LEU A 12 2.141 -19.410 -17.836 1.00 0.00 C ATOM 0 H LEU A 12 3.438 -18.649 -13.246 1.00 0.00 H new ATOM 0 HA LEU A 12 5.004 -20.240 -14.947 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.538 -19.766 -15.118 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.910 -18.129 -15.620 1.00 0.00 H new ATOM 0 HG LEU A 12 4.259 -19.074 -17.550 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.944 -21.459 -18.130 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.760 -21.282 -16.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.033 -21.709 -16.622 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.254 -19.750 -18.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.340 -19.971 -17.354 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.895 -18.348 -17.830 1.00 0.00 H new ATOM 188 N ILE A 13 5.440 -16.985 -15.229 1.00 0.00 N ATOM 189 CA ILE A 13 6.353 -15.978 -15.742 1.00 0.00 C ATOM 190 C ILE A 13 7.725 -16.146 -15.114 1.00 0.00 C ATOM 191 O ILE A 13 8.749 -15.985 -15.777 1.00 0.00 O ATOM 192 CB ILE A 13 5.812 -14.564 -15.453 1.00 0.00 C ATOM 193 CG1 ILE A 13 4.718 -14.214 -16.476 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.950 -13.531 -15.533 1.00 0.00 C ATOM 195 CD1 ILE A 13 3.954 -12.967 -16.019 1.00 0.00 C ATOM 0 H ILE A 13 4.685 -16.617 -14.650 1.00 0.00 H new ATOM 0 HA ILE A 13 6.439 -16.106 -16.821 1.00 0.00 H new ATOM 0 HB ILE A 13 5.391 -14.543 -14.448 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.166 -14.038 -17.454 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.030 -15.052 -16.586 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.554 -12.537 -15.327 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.716 -13.776 -14.798 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.387 -13.548 -16.531 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.181 -12.726 -16.749 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.492 -13.158 -15.051 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.645 -12.129 -15.932 1.00 0.00 H new ATOM 207 N PHE A 14 7.737 -16.418 -13.826 1.00 0.00 N ATOM 208 CA PHE A 14 8.988 -16.541 -13.116 1.00 0.00 C ATOM 209 C PHE A 14 9.855 -17.618 -13.756 1.00 0.00 C ATOM 210 O PHE A 14 11.060 -17.439 -13.929 1.00 0.00 O ATOM 211 CB PHE A 14 8.711 -16.874 -11.652 1.00 0.00 C ATOM 212 CG PHE A 14 9.861 -16.413 -10.778 1.00 0.00 C ATOM 213 CD1 PHE A 14 10.160 -15.048 -10.690 1.00 0.00 C ATOM 214 CD2 PHE A 14 10.626 -17.342 -10.062 1.00 0.00 C ATOM 215 CE1 PHE A 14 11.222 -14.611 -9.888 1.00 0.00 C ATOM 216 CE2 PHE A 14 11.692 -16.904 -9.261 1.00 0.00 C ATOM 217 CZ PHE A 14 11.990 -15.538 -9.175 1.00 0.00 C ATOM 0 H PHE A 14 6.903 -16.557 -13.256 1.00 0.00 H new ATOM 0 HA PHE A 14 9.527 -15.595 -13.169 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.787 -16.393 -11.332 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.567 -17.948 -11.538 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.571 -14.331 -11.242 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.396 -18.395 -10.126 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.448 -13.557 -9.820 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.283 -17.621 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.811 -15.201 -8.560 1.00 0.00 H new ATOM 227 N VAL A 15 9.227 -18.728 -14.108 1.00 0.00 N ATOM 228 CA VAL A 15 9.934 -19.840 -14.731 1.00 0.00 C ATOM 229 C VAL A 15 10.662 -19.364 -15.979 1.00 0.00 C ATOM 230 O VAL A 15 11.807 -19.748 -16.232 1.00 0.00 O ATOM 231 CB VAL A 15 8.935 -20.943 -15.099 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.709 -22.210 -15.494 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.992 -21.227 -13.900 1.00 0.00 C ATOM 0 H VAL A 15 8.228 -18.885 -13.974 1.00 0.00 H new ATOM 0 HA VAL A 15 10.666 -20.236 -14.027 1.00 0.00 H new ATOM 0 HB VAL A 15 8.324 -20.621 -15.942 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.005 -22.999 -15.757 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.348 -21.994 -16.350 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.324 -22.537 -14.655 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.286 -22.012 -14.171 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.582 -21.549 -13.042 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.445 -20.319 -13.644 1.00 0.00 H new ATOM 243 N ILE A 16 9.996 -18.519 -16.753 1.00 0.00 N ATOM 244 CA ILE A 16 10.595 -17.988 -17.977 1.00 0.00 C ATOM 245 C ILE A 16 11.926 -17.332 -17.659 1.00 0.00 C ATOM 246 O ILE A 16 12.840 -17.336 -18.476 1.00 0.00 O ATOM 247 CB ILE A 16 9.666 -16.972 -18.632 1.00 0.00 C ATOM 248 CG1 ILE A 16 8.262 -17.562 -18.711 1.00 0.00 C ATOM 249 CG2 ILE A 16 10.170 -16.635 -20.038 1.00 0.00 C ATOM 250 CD1 ILE A 16 8.285 -18.935 -19.398 1.00 0.00 C ATOM 0 H ILE A 16 9.051 -18.187 -16.562 1.00 0.00 H new ATOM 0 HA ILE A 16 10.754 -18.814 -18.670 1.00 0.00 H new ATOM 0 HB ILE A 16 9.646 -16.058 -18.039 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.847 -17.659 -17.708 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.609 -16.885 -19.262 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.501 -15.909 -20.500 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.174 -16.215 -19.974 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.194 -17.541 -20.643 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.273 -19.336 -19.443 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.679 -18.829 -20.409 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.920 -19.615 -18.830 1.00 0.00 H new ATOM 262 N ALA A 17 12.021 -16.771 -16.468 1.00 0.00 N ATOM 263 CA ALA A 17 13.258 -16.128 -16.032 1.00 0.00 C ATOM 264 C ALA A 17 14.278 -17.188 -15.588 1.00 0.00 C ATOM 265 O ALA A 17 15.473 -17.042 -15.788 1.00 0.00 O ATOM 266 CB ALA A 17 12.954 -15.150 -14.877 1.00 0.00 C ATOM 0 H ALA A 17 11.264 -16.744 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 17 13.686 -15.569 -16.864 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.878 -14.671 -14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.252 -14.390 -15.219 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.517 -15.698 -14.042 1.00 0.00 H new ATOM 272 N LEU A 18 13.797 -18.244 -14.971 1.00 0.00 N ATOM 273 CA LEU A 18 14.673 -19.290 -14.480 1.00 0.00 C ATOM 274 C LEU A 18 15.405 -19.989 -15.616 1.00 0.00 C ATOM 275 O LEU A 18 16.599 -20.279 -15.514 1.00 0.00 O ATOM 276 CB LEU A 18 13.829 -20.303 -13.711 1.00 0.00 C ATOM 277 CG LEU A 18 13.122 -19.647 -12.514 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.666 -20.729 -11.561 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.053 -18.710 -11.767 1.00 0.00 C ATOM 0 H LEU A 18 12.805 -18.403 -14.796 1.00 0.00 H new ATOM 0 HA LEU A 18 15.426 -18.842 -13.832 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.087 -20.742 -14.378 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.464 -21.117 -13.360 1.00 0.00 H new ATOM 0 HG LEU A 18 12.276 -19.072 -12.891 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.163 -20.274 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.976 -21.399 -12.074 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.530 -21.295 -11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.522 -18.263 -10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.912 -19.269 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.395 -17.924 -12.440 1.00 0.00 H new ATOM 291 N ILE A 19 14.698 -20.258 -16.690 1.00 0.00 N ATOM 292 CA ILE A 19 15.316 -20.924 -17.816 1.00 0.00 C ATOM 293 C ILE A 19 16.510 -20.120 -18.318 1.00 0.00 C ATOM 294 O ILE A 19 17.549 -20.680 -18.666 1.00 0.00 O ATOM 295 CB ILE A 19 14.290 -21.122 -18.929 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.989 -21.551 -20.222 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.528 -19.822 -19.157 1.00 0.00 C ATOM 298 CD1 ILE A 19 13.952 -22.100 -21.199 1.00 0.00 C ATOM 0 H ILE A 19 13.711 -20.031 -16.809 1.00 0.00 H new ATOM 0 HA ILE A 19 15.676 -21.902 -17.497 1.00 0.00 H new ATOM 0 HB ILE A 19 13.590 -21.904 -18.634 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.510 -20.703 -20.666 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.741 -22.310 -20.008 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.796 -19.964 -19.952 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.016 -19.535 -18.239 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.227 -19.036 -19.444 1.00 0.00 H new ATOM 0 HD11 ILE A 19 14.447 -22.406 -22.121 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.451 -22.959 -20.753 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.217 -21.327 -21.422 1.00 0.00 H new ATOM 310 N ILE A 20 16.351 -18.806 -18.357 1.00 0.00 N ATOM 311 CA ILE A 20 17.419 -17.926 -18.819 1.00 0.00 C ATOM 312 C ILE A 20 18.379 -17.610 -17.680 1.00 0.00 C ATOM 313 O ILE A 20 19.578 -17.445 -17.901 1.00 0.00 O ATOM 314 CB ILE A 20 16.829 -16.631 -19.392 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.964 -15.646 -19.786 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.881 -16.026 -18.368 1.00 0.00 C ATOM 317 CD1 ILE A 20 18.181 -14.568 -18.724 1.00 0.00 C ATOM 0 H ILE A 20 15.497 -18.325 -18.076 1.00 0.00 H new ATOM 0 HA ILE A 20 17.973 -18.437 -19.606 1.00 0.00 H new ATOM 0 HB ILE A 20 16.266 -16.846 -20.300 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.890 -16.201 -19.934 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.720 -15.174 -20.738 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.456 -15.104 -18.766 1.00 0.00 H new ATOM 0 HG22 ILE A 20 15.079 -16.732 -18.153 1.00 0.00 H new ATOM 0 HG23 ILE A 20 16.428 -15.807 -17.451 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.983 -13.902 -19.041 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.263 -13.995 -18.595 1.00 0.00 H new ATOM 0 HD13 ILE A 20 18.452 -15.038 -17.778 1.00 0.00 H new ATOM 329 N PHE A 21 17.847 -17.523 -16.456 1.00 0.00 N ATOM 330 CA PHE A 21 18.672 -17.229 -15.287 1.00 0.00 C ATOM 331 C PHE A 21 19.025 -18.513 -14.554 1.00 0.00 C ATOM 332 O PHE A 21 20.130 -19.033 -14.709 1.00 0.00 O ATOM 333 CB PHE A 21 17.945 -16.273 -14.332 1.00 0.00 C ATOM 334 CG PHE A 21 17.751 -14.927 -15.007 1.00 0.00 C ATOM 335 CD1 PHE A 21 18.863 -14.189 -15.450 1.00 0.00 C ATOM 336 CD2 PHE A 21 16.458 -14.422 -15.212 1.00 0.00 C ATOM 337 CE1 PHE A 21 18.677 -12.959 -16.092 1.00 0.00 C ATOM 338 CE2 PHE A 21 16.277 -13.192 -15.857 1.00 0.00 C ATOM 339 CZ PHE A 21 17.386 -12.462 -16.297 1.00 0.00 C ATOM 0 H PHE A 21 16.856 -17.651 -16.253 1.00 0.00 H new ATOM 0 HA PHE A 21 19.588 -16.749 -15.632 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.979 -16.691 -14.048 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.521 -16.151 -13.415 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.861 -14.571 -15.295 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.600 -14.983 -14.872 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.532 -12.393 -16.430 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.280 -12.807 -16.015 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.245 -11.514 -16.795 1.00 0.00 H new ATOM 349 N GLY A 22 18.083 -19.034 -13.768 1.00 0.00 N ATOM 350 CA GLY A 22 18.314 -20.269 -13.035 1.00 0.00 C ATOM 351 C GLY A 22 17.901 -20.124 -11.568 1.00 0.00 C ATOM 352 O GLY A 22 18.132 -19.079 -10.956 1.00 0.00 O ATOM 0 H GLY A 22 17.161 -18.621 -13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.751 -21.080 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.368 -20.539 -13.094 1.00 0.00 H new ATOM 356 N PRO A 23 17.312 -21.143 -10.989 1.00 0.00 N ATOM 357 CA PRO A 23 16.883 -21.116 -9.561 1.00 0.00 C ATOM 358 C PRO A 23 18.072 -21.169 -8.606 1.00 0.00 C ATOM 359 O PRO A 23 17.948 -20.829 -7.431 1.00 0.00 O ATOM 360 CB PRO A 23 15.994 -22.357 -9.421 1.00 0.00 C ATOM 361 CG PRO A 23 16.487 -23.296 -10.469 1.00 0.00 C ATOM 362 CD PRO A 23 16.993 -22.435 -11.621 1.00 0.00 C ATOM 0 HA PRO A 23 16.362 -20.194 -9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.078 -22.794 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.943 -22.111 -9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.284 -23.929 -10.079 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.688 -23.959 -10.802 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.871 -22.876 -12.093 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.236 -22.323 -12.398 1.00 0.00 H new ATOM 370 N SER A 24 19.221 -21.609 -9.117 1.00 0.00 N ATOM 371 CA SER A 24 20.430 -21.706 -8.302 1.00 0.00 C ATOM 372 C SER A 24 21.236 -20.416 -8.384 1.00 0.00 C ATOM 373 O SER A 24 22.016 -20.104 -7.487 1.00 0.00 O ATOM 374 CB SER A 24 21.286 -22.883 -8.775 1.00 0.00 C ATOM 375 OG SER A 24 22.432 -22.998 -7.941 1.00 0.00 O ATOM 0 H SER A 24 19.340 -21.903 -10.087 1.00 0.00 H new ATOM 0 HA SER A 24 20.136 -21.868 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.706 -23.805 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.590 -22.733 -9.811 1.00 0.00 H new ATOM 0 HG SER A 24 22.981 -23.752 -8.241 1.00 0.00 H new ATOM 381 N LYS A 25 21.051 -19.672 -9.470 1.00 0.00 N ATOM 382 CA LYS A 25 21.765 -18.426 -9.664 1.00 0.00 C ATOM 383 C LYS A 25 21.067 -17.280 -8.943 1.00 0.00 C ATOM 384 O LYS A 25 21.700 -16.306 -8.540 1.00 0.00 O ATOM 385 CB LYS A 25 21.864 -18.122 -11.158 1.00 0.00 C ATOM 386 CG LYS A 25 23.013 -17.135 -11.398 1.00 0.00 C ATOM 387 CD LYS A 25 24.358 -17.892 -11.492 1.00 0.00 C ATOM 388 CE LYS A 25 25.465 -17.056 -10.850 1.00 0.00 C ATOM 389 NZ LYS A 25 25.587 -15.756 -11.568 1.00 0.00 N ATOM 0 H LYS A 25 20.411 -19.915 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 25 22.766 -18.529 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.036 -19.041 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.926 -17.700 -11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.837 -16.577 -12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.053 -16.408 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.280 -18.856 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.600 -18.095 -12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.240 -16.882 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 25 26.411 -17.595 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.477 -15.292 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.583 -15.925 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 24.786 -15.143 -11.315 1.00 0.00 H new ATOM 403 N LEU A 26 19.760 -17.409 -8.787 1.00 0.00 N ATOM 404 CA LEU A 26 18.973 -16.394 -8.108 1.00 0.00 C ATOM 405 C LEU A 26 19.403 -16.264 -6.640 1.00 0.00 C ATOM 406 O LEU A 26 19.793 -15.179 -6.202 1.00 0.00 O ATOM 407 CB LEU A 26 17.476 -16.758 -8.195 1.00 0.00 C ATOM 408 CG LEU A 26 16.837 -16.155 -9.455 1.00 0.00 C ATOM 409 CD1 LEU A 26 15.526 -16.881 -9.760 1.00 0.00 C ATOM 410 CD2 LEU A 26 16.537 -14.661 -9.264 1.00 0.00 C ATOM 0 H LEU A 26 19.221 -18.208 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 26 19.141 -15.434 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 26 17.361 -17.842 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.957 -16.393 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 26 17.541 -16.272 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.073 -16.453 -10.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.726 -17.940 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.843 -16.769 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.085 -14.262 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.848 -14.532 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.464 -14.127 -9.055 1.00 0.00 H new ATOM 422 N PRO A 27 19.330 -17.330 -5.877 1.00 0.00 N ATOM 423 CA PRO A 27 19.715 -17.309 -4.436 1.00 0.00 C ATOM 424 C PRO A 27 21.132 -16.775 -4.223 1.00 0.00 C ATOM 425 O PRO A 27 21.400 -16.074 -3.249 1.00 0.00 O ATOM 426 CB PRO A 27 19.592 -18.790 -4.004 1.00 0.00 C ATOM 427 CG PRO A 27 19.554 -19.574 -5.274 1.00 0.00 C ATOM 428 CD PRO A 27 18.880 -18.665 -6.291 1.00 0.00 C ATOM 0 HA PRO A 27 19.083 -16.642 -3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.437 -19.089 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.690 -18.953 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.559 -19.848 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.996 -20.502 -5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.188 -18.898 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.794 -18.755 -6.258 1.00 0.00 H new ATOM 436 N GLU A 28 22.029 -17.111 -5.136 1.00 0.00 N ATOM 437 CA GLU A 28 23.410 -16.666 -5.033 1.00 0.00 C ATOM 438 C GLU A 28 23.509 -15.155 -5.182 1.00 0.00 C ATOM 439 O GLU A 28 24.201 -14.484 -4.416 1.00 0.00 O ATOM 440 CB GLU A 28 24.249 -17.360 -6.107 1.00 0.00 C ATOM 441 CG GLU A 28 25.700 -16.910 -5.986 1.00 0.00 C ATOM 442 CD GLU A 28 26.572 -17.655 -6.990 1.00 0.00 C ATOM 443 OE1 GLU A 28 26.109 -18.648 -7.526 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.692 -17.222 -7.206 1.00 0.00 O ATOM 0 H GLU A 28 21.828 -17.687 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 28 23.790 -16.930 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.182 -18.442 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.863 -17.119 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.770 -15.836 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 28 26.061 -17.093 -4.974 1.00 0.00 H new ATOM 451 N ILE A 29 22.815 -14.628 -6.172 1.00 0.00 N ATOM 452 CA ILE A 29 22.824 -13.196 -6.426 1.00 0.00 C ATOM 453 C ILE A 29 22.170 -12.454 -5.271 1.00 0.00 C ATOM 454 O ILE A 29 22.641 -11.399 -4.849 1.00 0.00 O ATOM 455 CB ILE A 29 22.094 -12.891 -7.729 1.00 0.00 C ATOM 456 CG1 ILE A 29 22.878 -13.501 -8.888 1.00 0.00 C ATOM 457 CG2 ILE A 29 22.014 -11.373 -7.923 1.00 0.00 C ATOM 458 CD1 ILE A 29 22.000 -13.533 -10.137 1.00 0.00 C ATOM 0 H ILE A 29 22.237 -15.168 -6.815 1.00 0.00 H new ATOM 0 HA ILE A 29 23.857 -12.861 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 29 21.088 -13.309 -7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.779 -12.917 -9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.201 -14.510 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 29 21.492 -11.152 -8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 29 21.472 -10.928 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 29 23.021 -10.958 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.560 -13.969 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 29 21.113 -14.135 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 29 21.700 -12.518 -10.397 1.00 0.00 H new ATOM 470 N GLY A 30 21.072 -13.006 -4.770 1.00 0.00 N ATOM 471 CA GLY A 30 20.357 -12.379 -3.670 1.00 0.00 C ATOM 472 C GLY A 30 21.270 -12.202 -2.466 1.00 0.00 C ATOM 473 O GLY A 30 21.251 -11.158 -1.814 1.00 0.00 O ATOM 0 H GLY A 30 20.662 -13.878 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.972 -11.410 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.497 -12.989 -3.394 1.00 0.00 H new ATOM 477 N ARG A 31 22.066 -13.217 -2.168 1.00 0.00 N ATOM 478 CA ARG A 31 22.974 -13.142 -1.036 1.00 0.00 C ATOM 479 C ARG A 31 24.019 -12.061 -1.249 1.00 0.00 C ATOM 480 O ARG A 31 24.229 -11.204 -0.390 1.00 0.00 O ATOM 481 CB ARG A 31 23.689 -14.474 -0.901 1.00 0.00 C ATOM 482 CG ARG A 31 22.708 -15.545 -0.422 1.00 0.00 C ATOM 483 CD ARG A 31 23.275 -16.921 -0.722 1.00 0.00 C ATOM 484 NE ARG A 31 22.679 -17.929 0.156 1.00 0.00 N ATOM 485 CZ ARG A 31 21.527 -18.529 -0.145 1.00 0.00 C ATOM 486 NH1 ARG A 31 20.905 -18.233 -1.249 1.00 0.00 N ATOM 487 NH2 ARG A 31 21.015 -19.415 0.671 1.00 0.00 N ATOM 0 H ARG A 31 22.102 -14.093 -2.688 1.00 0.00 H new ATOM 0 HA ARG A 31 22.398 -12.908 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.119 -14.765 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.515 -14.383 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 31 22.531 -15.438 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 31 21.746 -15.420 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.083 -17.180 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 31 24.357 -16.911 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 31 23.158 -18.179 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.299 -17.541 -1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.024 -18.693 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.497 -19.648 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.134 -19.873 0.439 1.00 0.00 H new ATOM 501 N ALA A 32 24.683 -12.114 -2.396 1.00 0.00 N ATOM 502 CA ALA A 32 25.720 -11.137 -2.691 1.00 0.00 C ATOM 503 C ALA A 32 25.120 -9.737 -2.741 1.00 0.00 C ATOM 504 O ALA A 32 25.624 -8.809 -2.107 1.00 0.00 O ATOM 505 CB ALA A 32 26.382 -11.452 -4.032 1.00 0.00 C ATOM 0 H ALA A 32 24.526 -12.810 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 32 26.471 -11.183 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 32 27.155 -10.712 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 32 26.831 -12.445 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.633 -11.424 -4.823 1.00 0.00 H new ATOM 511 N ALA A 33 24.024 -9.601 -3.479 1.00 0.00 N ATOM 512 CA ALA A 33 23.335 -8.322 -3.588 1.00 0.00 C ATOM 513 C ALA A 33 22.765 -7.939 -2.237 1.00 0.00 C ATOM 514 O ALA A 33 22.573 -6.762 -1.936 1.00 0.00 O ATOM 515 CB ALA A 33 22.192 -8.420 -4.605 1.00 0.00 C ATOM 0 H ALA A 33 23.595 -10.359 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 33 24.047 -7.566 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.685 -7.458 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 33 22.595 -8.691 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.482 -9.181 -4.282 1.00 0.00 H new ATOM 521 N GLY A 34 22.467 -8.951 -1.440 1.00 0.00 N ATOM 522 CA GLY A 34 21.888 -8.718 -0.137 1.00 0.00 C ATOM 523 C GLY A 34 22.759 -7.770 0.679 1.00 0.00 C ATOM 524 O GLY A 34 22.256 -6.869 1.351 1.00 0.00 O ATOM 0 H GLY A 34 22.616 -9.933 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.889 -8.297 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.778 -9.665 0.392 1.00 0.00 H new ATOM 528 N ARG A 35 24.070 -7.987 0.613 1.00 0.00 N ATOM 529 CA ARG A 35 25.020 -7.155 1.349 1.00 0.00 C ATOM 530 C ARG A 35 25.079 -5.754 0.759 1.00 0.00 C ATOM 531 O ARG A 35 25.078 -4.762 1.485 1.00 0.00 O ATOM 532 CB ARG A 35 26.414 -7.790 1.302 1.00 0.00 C ATOM 533 CG ARG A 35 26.290 -9.314 1.403 1.00 0.00 C ATOM 534 CD ARG A 35 25.409 -9.693 2.597 1.00 0.00 C ATOM 535 NE ARG A 35 25.731 -11.040 3.053 1.00 0.00 N ATOM 536 CZ ARG A 35 25.044 -11.611 4.037 1.00 0.00 C ATOM 537 NH1 ARG A 35 24.064 -10.966 4.607 1.00 0.00 N ATOM 538 NH2 ARG A 35 25.349 -12.816 4.430 1.00 0.00 N ATOM 0 H ARG A 35 24.498 -8.729 0.060 1.00 0.00 H new ATOM 0 HA ARG A 35 24.685 -7.085 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.918 -7.517 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.025 -7.410 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 35 25.861 -9.713 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.278 -9.760 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 35 25.558 -8.981 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.358 -9.638 2.314 1.00 0.00 H new ATOM 0 HE ARG A 35 26.495 -11.551 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 35 23.825 -10.024 4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.536 -11.404 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 35 26.115 -13.320 3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.822 -13.255 5.185 1.00 0.00 H new ATOM 552 N THR A 36 25.123 -5.686 -0.565 1.00 0.00 N ATOM 553 CA THR A 36 25.175 -4.406 -1.252 1.00 0.00 C ATOM 554 C THR A 36 23.895 -3.625 -0.982 1.00 0.00 C ATOM 555 O THR A 36 23.927 -2.428 -0.730 1.00 0.00 O ATOM 556 CB THR A 36 25.361 -4.639 -2.763 1.00 0.00 C ATOM 557 OG1 THR A 36 26.727 -4.925 -3.030 1.00 0.00 O ATOM 558 CG2 THR A 36 24.931 -3.406 -3.560 1.00 0.00 C ATOM 0 H THR A 36 25.124 -6.499 -1.181 1.00 0.00 H new ATOM 0 HA THR A 36 26.020 -3.825 -0.881 1.00 0.00 H new ATOM 0 HB THR A 36 24.738 -5.481 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 36 26.848 -5.075 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 36 25.071 -3.594 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 36 23.880 -3.195 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 36 25.535 -2.550 -3.260 1.00 0.00 H new ATOM 566 N LEU A 37 22.770 -4.302 -1.049 1.00 0.00 N ATOM 567 CA LEU A 37 21.499 -3.647 -0.813 1.00 0.00 C ATOM 568 C LEU A 37 21.344 -3.240 0.642 1.00 0.00 C ATOM 569 O LEU A 37 20.734 -2.218 0.953 1.00 0.00 O ATOM 570 CB LEU A 37 20.369 -4.568 -1.213 1.00 0.00 C ATOM 571 CG LEU A 37 20.352 -4.714 -2.743 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.549 -5.952 -3.129 1.00 0.00 C ATOM 573 CD2 LEU A 37 19.707 -3.481 -3.414 1.00 0.00 C ATOM 0 H LEU A 37 22.707 -5.297 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 37 21.468 -2.741 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.496 -5.544 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.417 -4.168 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 37 21.384 -4.804 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.538 -6.055 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.008 -6.836 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.527 -5.851 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.709 -3.613 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.681 -3.371 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.276 -2.587 -3.156 1.00 0.00 H new ATOM 585 N LEU A 38 21.889 -4.061 1.515 1.00 0.00 N ATOM 586 CA LEU A 38 21.803 -3.813 2.941 1.00 0.00 C ATOM 587 C LEU A 38 22.414 -2.471 3.280 1.00 0.00 C ATOM 588 O LEU A 38 21.928 -1.767 4.157 1.00 0.00 O ATOM 589 CB LEU A 38 22.542 -4.921 3.704 1.00 0.00 C ATOM 590 CG LEU A 38 22.586 -4.602 5.204 1.00 0.00 C ATOM 591 CD1 LEU A 38 21.180 -4.668 5.794 1.00 0.00 C ATOM 592 CD2 LEU A 38 23.496 -5.608 5.899 1.00 0.00 C ATOM 0 H LEU A 38 22.398 -4.908 1.262 1.00 0.00 H new ATOM 0 HA LEU A 38 20.753 -3.806 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.043 -5.877 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.556 -5.023 3.318 1.00 0.00 H new ATOM 0 HG LEU A 38 22.976 -3.595 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 21.221 -4.440 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.540 -3.942 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.773 -5.669 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 38 23.533 -5.389 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.107 -6.615 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 24.500 -5.541 5.480 1.00 0.00 H new ATOM 604 N GLU A 39 23.500 -2.135 2.622 1.00 0.00 N ATOM 605 CA GLU A 39 24.171 -0.879 2.897 1.00 0.00 C ATOM 606 C GLU A 39 23.483 0.266 2.162 1.00 0.00 C ATOM 607 O GLU A 39 23.631 1.428 2.541 1.00 0.00 O ATOM 608 CB GLU A 39 25.644 -0.961 2.497 1.00 0.00 C ATOM 609 CG GLU A 39 25.734 -1.466 1.077 1.00 0.00 C ATOM 610 CD GLU A 39 27.162 -1.348 0.561 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.844 -0.423 0.970 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.554 -2.183 -0.236 1.00 0.00 O ATOM 0 H GLU A 39 23.937 -2.706 1.898 1.00 0.00 H new ATOM 0 HA GLU A 39 24.114 -0.685 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.113 0.020 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.181 -1.629 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.409 -2.506 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.061 -0.894 0.438 1.00 0.00 H new ATOM 619 N PHE A 40 22.740 -0.056 1.104 1.00 0.00 N ATOM 620 CA PHE A 40 22.061 0.974 0.340 1.00 0.00 C ATOM 621 C PHE A 40 20.933 1.611 1.143 1.00 0.00 C ATOM 622 O PHE A 40 20.769 2.832 1.147 1.00 0.00 O ATOM 623 CB PHE A 40 21.514 0.348 -0.947 1.00 0.00 C ATOM 624 CG PHE A 40 22.415 0.665 -2.122 1.00 0.00 C ATOM 625 CD1 PHE A 40 22.626 1.996 -2.488 1.00 0.00 C ATOM 626 CD2 PHE A 40 23.038 -0.366 -2.836 1.00 0.00 C ATOM 627 CE1 PHE A 40 23.460 2.301 -3.571 1.00 0.00 C ATOM 628 CE2 PHE A 40 23.873 -0.064 -3.920 1.00 0.00 C ATOM 629 CZ PHE A 40 24.084 1.271 -4.287 1.00 0.00 C ATOM 0 H PHE A 40 22.598 -1.007 0.765 1.00 0.00 H new ATOM 0 HA PHE A 40 22.771 1.765 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.433 -0.732 -0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.509 0.723 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 40 22.146 2.790 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 40 22.875 -1.395 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 40 23.622 3.330 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 40 24.353 -0.859 -4.471 1.00 0.00 H new ATOM 0 HZ PHE A 40 24.728 1.506 -5.122 1.00 0.00 H new ATOM 639 N LYS A 41 20.148 0.783 1.801 1.00 0.00 N ATOM 640 CA LYS A 41 19.036 1.288 2.574 1.00 0.00 C ATOM 641 C LYS A 41 19.524 2.179 3.704 1.00 0.00 C ATOM 642 O LYS A 41 18.875 3.163 4.062 1.00 0.00 O ATOM 643 CB LYS A 41 18.232 0.128 3.124 1.00 0.00 C ATOM 644 CG LYS A 41 19.107 -0.723 4.065 1.00 0.00 C ATOM 645 CD LYS A 41 18.652 -0.523 5.524 1.00 0.00 C ATOM 646 CE LYS A 41 19.493 -1.388 6.463 1.00 0.00 C ATOM 647 NZ LYS A 41 18.835 -2.716 6.621 1.00 0.00 N ATOM 0 H LYS A 41 20.258 -0.231 1.816 1.00 0.00 H new ATOM 0 HA LYS A 41 18.400 1.889 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.361 0.502 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.860 -0.487 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.033 -1.776 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.154 -0.439 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.748 0.527 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.598 -0.784 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.499 -1.512 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.595 -0.901 7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.427 -3.328 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.905 -2.591 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.713 -3.157 5.687 1.00 0.00 H new ATOM 661 N SER A 42 20.672 1.825 4.261 1.00 0.00 N ATOM 662 CA SER A 42 21.249 2.593 5.350 1.00 0.00 C ATOM 663 C SER A 42 21.644 3.978 4.855 1.00 0.00 C ATOM 664 O SER A 42 21.414 4.980 5.532 1.00 0.00 O ATOM 665 CB SER A 42 22.472 1.875 5.903 1.00 0.00 C ATOM 666 OG SER A 42 22.073 0.652 6.507 1.00 0.00 O ATOM 0 H SER A 42 21.220 1.013 3.977 1.00 0.00 H new ATOM 0 HA SER A 42 20.508 2.695 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 42 23.186 1.681 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 42 22.977 2.506 6.634 1.00 0.00 H new ATOM 0 HG SER A 42 22.861 0.190 6.861 1.00 0.00 H new ATOM 672 N ALA A 43 22.226 4.026 3.661 1.00 0.00 N ATOM 673 CA ALA A 43 22.634 5.297 3.073 1.00 0.00 C ATOM 674 C ALA A 43 21.414 6.081 2.598 1.00 0.00 C ATOM 675 O ALA A 43 21.341 7.297 2.762 1.00 0.00 O ATOM 676 CB ALA A 43 23.591 5.058 1.903 1.00 0.00 C ATOM 0 H ALA A 43 22.424 3.207 3.086 1.00 0.00 H new ATOM 0 HA ALA A 43 23.149 5.880 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.887 6.015 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.476 4.530 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.092 4.458 1.142 1.00 0.00 H new ATOM 682 N THR A 44 20.452 5.370 2.018 1.00 0.00 N ATOM 683 CA THR A 44 19.231 5.994 1.536 1.00 0.00 C ATOM 684 C THR A 44 18.454 6.609 2.690 1.00 0.00 C ATOM 685 O THR A 44 17.879 7.689 2.562 1.00 0.00 O ATOM 686 CB THR A 44 18.376 4.947 0.808 1.00 0.00 C ATOM 687 OG1 THR A 44 18.804 4.838 -0.542 1.00 0.00 O ATOM 688 CG2 THR A 44 16.894 5.323 0.859 1.00 0.00 C ATOM 0 H THR A 44 20.497 4.362 1.872 1.00 0.00 H new ATOM 0 HA THR A 44 19.488 6.793 0.840 1.00 0.00 H new ATOM 0 HB THR A 44 18.501 3.986 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.259 4.168 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.308 4.566 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.569 5.380 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.747 6.291 0.379 1.00 0.00 H new ATOM 696 N LYS A 45 18.415 5.900 3.803 1.00 0.00 N ATOM 697 CA LYS A 45 17.680 6.373 4.958 1.00 0.00 C ATOM 698 C LYS A 45 18.123 7.778 5.316 1.00 0.00 C ATOM 699 O LYS A 45 17.351 8.574 5.844 1.00 0.00 O ATOM 700 CB LYS A 45 17.905 5.432 6.140 1.00 0.00 C ATOM 701 CG LYS A 45 17.326 6.045 7.441 1.00 0.00 C ATOM 702 CD LYS A 45 18.448 6.659 8.293 1.00 0.00 C ATOM 703 CE LYS A 45 19.136 5.570 9.120 1.00 0.00 C ATOM 704 NZ LYS A 45 20.213 6.185 9.944 1.00 0.00 N ATOM 0 H LYS A 45 18.880 5.001 3.930 1.00 0.00 H new ATOM 0 HA LYS A 45 16.617 6.391 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.431 4.470 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.971 5.243 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.590 6.810 7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.807 5.276 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.176 7.152 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.037 7.423 8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.410 5.072 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.555 4.808 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.683 5.448 10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.910 6.641 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.800 6.896 10.580 1.00 0.00 H new ATOM 718 N SER A 46 19.379 8.075 5.039 1.00 0.00 N ATOM 719 CA SER A 46 19.914 9.385 5.345 1.00 0.00 C ATOM 720 C SER A 46 19.420 10.425 4.338 1.00 0.00 C ATOM 721 O SER A 46 19.223 11.588 4.683 1.00 0.00 O ATOM 722 CB SER A 46 21.441 9.323 5.332 1.00 0.00 C ATOM 723 OG SER A 46 21.961 10.342 6.178 1.00 0.00 O ATOM 0 H SER A 46 20.042 7.432 4.606 1.00 0.00 H new ATOM 0 HA SER A 46 19.568 9.684 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 46 21.779 8.344 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.813 9.453 4.316 1.00 0.00 H new ATOM 0 HG SER A 46 22.940 10.303 6.173 1.00 0.00 H new ATOM 729 N LEU A 47 19.234 9.998 3.092 1.00 0.00 N ATOM 730 CA LEU A 47 18.776 10.904 2.050 1.00 0.00 C ATOM 731 C LEU A 47 17.322 11.301 2.274 1.00 0.00 C ATOM 732 O LEU A 47 16.956 12.466 2.134 1.00 0.00 O ATOM 733 CB LEU A 47 18.916 10.223 0.698 1.00 0.00 C ATOM 734 CG LEU A 47 20.341 9.678 0.532 1.00 0.00 C ATOM 735 CD1 LEU A 47 20.444 8.927 -0.799 1.00 0.00 C ATOM 736 CD2 LEU A 47 21.352 10.837 0.555 1.00 0.00 C ATOM 0 H LEU A 47 19.392 9.039 2.784 1.00 0.00 H new ATOM 0 HA LEU A 47 19.386 11.807 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.195 9.410 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.693 10.931 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 47 20.566 8.997 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.455 8.538 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.734 8.100 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.216 9.608 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 47 22.361 10.442 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 47 21.134 11.526 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 47 21.278 11.365 1.506 1.00 0.00 H new ATOM 748 N VAL A 48 16.503 10.322 2.631 1.00 0.00 N ATOM 749 CA VAL A 48 15.092 10.575 2.881 1.00 0.00 C ATOM 750 C VAL A 48 14.903 11.320 4.190 1.00 0.00 C ATOM 751 O VAL A 48 13.915 12.028 4.377 1.00 0.00 O ATOM 752 CB VAL A 48 14.318 9.258 2.923 1.00 0.00 C ATOM 753 CG1 VAL A 48 14.873 8.375 4.039 1.00 0.00 C ATOM 754 CG2 VAL A 48 12.835 9.541 3.178 1.00 0.00 C ATOM 0 H VAL A 48 16.789 9.351 2.753 1.00 0.00 H new ATOM 0 HA VAL A 48 14.709 11.192 2.068 1.00 0.00 H new ATOM 0 HB VAL A 48 14.426 8.744 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.321 7.436 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.927 8.170 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.768 8.888 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.285 8.600 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.722 10.058 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.441 10.167 2.377 1.00 0.00 H new ATOM 764 N SER A 49 15.850 11.146 5.096 1.00 0.00 N ATOM 765 CA SER A 49 15.770 11.797 6.391 1.00 0.00 C ATOM 766 C SER A 49 15.733 13.312 6.231 1.00 0.00 C ATOM 767 O SER A 49 14.967 13.999 6.907 1.00 0.00 O ATOM 768 CB SER A 49 16.968 11.401 7.248 1.00 0.00 C ATOM 769 OG SER A 49 16.854 12.014 8.526 1.00 0.00 O ATOM 0 H SER A 49 16.677 10.564 4.960 1.00 0.00 H new ATOM 0 HA SER A 49 14.851 11.475 6.881 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.011 10.317 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.894 11.711 6.764 1.00 0.00 H new ATOM 0 HG SER A 49 17.622 11.760 9.080 1.00 0.00 H new ATOM 775 N GLY A 50 16.571 13.824 5.337 1.00 0.00 N ATOM 776 CA GLY A 50 16.637 15.263 5.090 1.00 0.00 C ATOM 777 C GLY A 50 17.675 15.921 5.994 1.00 0.00 C ATOM 778 O GLY A 50 17.479 16.025 7.204 1.00 0.00 O ATOM 0 H GLY A 50 17.213 13.268 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.890 15.446 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.659 15.712 5.265 1.00 0.00 H new ATOM 782 N ASP A 51 18.777 16.365 5.396 1.00 0.00 N ATOM 783 CA ASP A 51 19.847 17.017 6.150 1.00 0.00 C ATOM 784 C ASP A 51 19.625 18.525 6.201 1.00 0.00 C ATOM 785 O ASP A 51 19.665 19.203 5.174 1.00 0.00 O ATOM 786 CB ASP A 51 21.199 16.718 5.498 1.00 0.00 C ATOM 787 CG ASP A 51 21.193 17.182 4.045 1.00 0.00 C ATOM 788 OD1 ASP A 51 20.130 17.538 3.561 1.00 0.00 O ATOM 789 OD2 ASP A 51 22.250 17.176 3.437 1.00 0.00 O ATOM 0 H ASP A 51 18.954 16.286 4.394 1.00 0.00 H new ATOM 0 HA ASP A 51 19.840 16.627 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 51 21.995 17.222 6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 21.406 15.649 5.546 1.00 0.00 H new ATOM 794 N GLU A 52 19.390 19.043 7.402 1.00 0.00 N ATOM 795 CA GLU A 52 19.164 20.468 7.583 1.00 0.00 C ATOM 796 C GLU A 52 18.216 20.998 6.509 1.00 0.00 C ATOM 797 O GLU A 52 18.697 21.361 5.448 1.00 0.00 O ATOM 798 CB GLU A 52 20.497 21.213 7.515 1.00 0.00 C ATOM 799 CG GLU A 52 20.273 22.683 7.862 1.00 0.00 C ATOM 800 CD GLU A 52 21.584 23.452 7.755 1.00 0.00 C ATOM 801 OE1 GLU A 52 22.523 22.909 7.196 1.00 0.00 O ATOM 802 OE2 GLU A 52 21.631 24.574 8.232 1.00 0.00 O ATOM 0 H GLU A 52 19.352 18.496 8.262 1.00 0.00 H new ATOM 0 HA GLU A 52 18.708 20.631 8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.211 20.769 8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.925 21.125 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.533 23.115 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.873 22.769 8.872 1.00 0.00 H new TER 809 GLU A 52