USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0911 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc=0.000211 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.278 K(o=-0.28,f=-0.81) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.17) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.563 -8.298 -9.845 1.00 0.00 N ATOM 2 CA ALA A 1 -7.538 -8.147 -8.366 1.00 0.00 C ATOM 3 C ALA A 1 -7.015 -9.405 -7.656 1.00 0.00 C ATOM 4 O ALA A 1 -6.100 -9.301 -6.837 1.00 0.00 O ATOM 5 CB ALA A 1 -8.904 -7.706 -7.804 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.923 -7.423 -10.277 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.600 -8.484 -10.191 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.183 -9.092 -10.102 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.829 -7.347 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.837 -7.609 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.183 -6.746 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.659 -8.451 -8.056 1.00 0.00 H new ATOM 13 N GLY A 2 -7.565 -10.595 -7.946 1.00 0.00 N ATOM 14 CA GLY A 2 -7.187 -11.851 -7.279 1.00 0.00 C ATOM 15 C GLY A 2 -7.897 -12.055 -5.931 1.00 0.00 C ATOM 16 O GLY A 2 -8.929 -11.436 -5.658 1.00 0.00 O ATOM 0 H GLY A 2 -8.289 -10.713 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.420 -12.689 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.109 -11.861 -7.120 1.00 0.00 H new ATOM 20 N HIS A 3 -7.351 -12.945 -5.094 1.00 0.00 N ATOM 21 CA HIS A 3 -7.890 -13.349 -3.776 1.00 0.00 C ATOM 22 C HIS A 3 -6.847 -13.234 -2.640 1.00 0.00 C ATOM 23 O HIS A 3 -6.751 -14.096 -1.766 1.00 0.00 O ATOM 24 CB HIS A 3 -8.542 -14.744 -3.908 1.00 0.00 C ATOM 25 CG HIS A 3 -9.927 -14.694 -4.511 1.00 0.00 C ATOM 26 ND1 HIS A 3 -11.095 -14.454 -3.808 1.00 0.00 N ATOM 27 CD2 HIS A 3 -10.253 -14.895 -5.825 1.00 0.00 C ATOM 28 CE1 HIS A 3 -12.119 -14.509 -4.685 1.00 0.00 C ATOM 29 NE2 HIS A 3 -11.631 -14.775 -5.916 1.00 0.00 N ATOM 0 H HIS A 3 -6.482 -13.429 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.668 -12.649 -3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.906 -15.379 -4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.597 -15.208 -2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.569 -15.106 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.161 -14.364 -4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.183 -14.871 -6.768 1.00 0.00 H new ATOM 38 N MET A 4 -6.060 -12.151 -2.653 1.00 0.00 N ATOM 39 CA MET A 4 -4.968 -11.841 -1.704 1.00 0.00 C ATOM 40 C MET A 4 -5.070 -10.413 -1.108 1.00 0.00 C ATOM 41 O MET A 4 -4.060 -9.827 -0.712 1.00 0.00 O ATOM 42 CB MET A 4 -3.614 -12.110 -2.397 1.00 0.00 C ATOM 43 CG MET A 4 -3.256 -13.603 -2.513 1.00 0.00 C ATOM 44 SD MET A 4 -1.974 -14.158 -1.347 1.00 0.00 S ATOM 45 CE MET A 4 -2.968 -14.869 -0.005 1.00 0.00 C ATOM 0 H MET A 4 -6.169 -11.425 -3.361 1.00 0.00 H new ATOM 0 HA MET A 4 -5.057 -12.499 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.635 -11.673 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.826 -11.600 -1.843 1.00 0.00 H new ATOM 0 HG2 MET A 4 -4.157 -14.194 -2.352 1.00 0.00 H new ATOM 0 HG3 MET A 4 -2.919 -13.806 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.308 -15.247 0.776 1.00 0.00 H new ATOM 0 HE2 MET A 4 -3.620 -14.101 0.411 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.574 -15.687 -0.395 1.00 0.00 H new ATOM 55 N LYS A 5 -6.281 -9.835 -1.034 1.00 0.00 N ATOM 56 CA LYS A 5 -6.589 -8.528 -0.403 1.00 0.00 C ATOM 57 C LYS A 5 -6.173 -8.482 1.079 1.00 0.00 C ATOM 58 O LYS A 5 -6.900 -8.940 1.962 1.00 0.00 O ATOM 59 CB LYS A 5 -8.084 -8.174 -0.614 1.00 0.00 C ATOM 60 CG LYS A 5 -8.292 -7.143 -1.739 1.00 0.00 C ATOM 61 CD LYS A 5 -8.356 -5.683 -1.249 1.00 0.00 C ATOM 62 CE LYS A 5 -9.778 -5.295 -0.799 1.00 0.00 C ATOM 63 NZ LYS A 5 -10.071 -3.862 -1.076 1.00 0.00 N ATOM 0 H LYS A 5 -7.111 -10.280 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.991 -7.762 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.639 -9.082 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.496 -7.781 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.480 -7.238 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.216 -7.379 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.662 -5.547 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.033 -5.016 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.506 -5.922 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.888 -5.489 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.036 -3.638 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.391 -3.264 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.991 -3.682 -2.097 1.00 0.00 H new ATOM 77 N GLU A 6 -4.991 -7.925 1.338 1.00 0.00 N ATOM 78 CA GLU A 6 -4.405 -7.693 2.665 1.00 0.00 C ATOM 79 C GLU A 6 -4.647 -6.244 3.116 1.00 0.00 C ATOM 80 O GLU A 6 -5.438 -6.001 4.029 1.00 0.00 O ATOM 81 CB GLU A 6 -2.900 -8.030 2.629 1.00 0.00 C ATOM 82 CG GLU A 6 -2.609 -9.512 2.916 1.00 0.00 C ATOM 83 CD GLU A 6 -2.027 -9.698 4.332 1.00 0.00 C ATOM 84 OE1 GLU A 6 -0.787 -9.603 4.499 1.00 0.00 O ATOM 85 OE2 GLU A 6 -2.807 -9.934 5.287 1.00 0.00 O ATOM 0 H GLU A 6 -4.379 -7.604 0.588 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.887 -8.345 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.498 -7.770 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.378 -7.414 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.527 -10.092 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.907 -9.898 2.177 1.00 0.00 H new ATOM 92 N PHE A 7 -3.984 -5.275 2.475 1.00 0.00 N ATOM 93 CA PHE A 7 -4.126 -3.848 2.776 1.00 0.00 C ATOM 94 C PHE A 7 -5.335 -3.219 2.067 1.00 0.00 C ATOM 95 O PHE A 7 -5.392 -3.143 0.837 1.00 0.00 O ATOM 96 CB PHE A 7 -2.814 -3.111 2.465 1.00 0.00 C ATOM 97 CG PHE A 7 -1.762 -3.301 3.545 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.059 -2.919 4.867 1.00 0.00 C ATOM 99 CD2 PHE A 7 -0.497 -3.848 3.252 1.00 0.00 C ATOM 100 CE1 PHE A 7 -1.114 -3.107 5.888 1.00 0.00 C ATOM 101 CE2 PHE A 7 0.445 -4.035 4.284 1.00 0.00 C ATOM 102 CZ PHE A 7 0.132 -3.672 5.604 1.00 0.00 C ATOM 0 H PHE A 7 -3.324 -5.464 1.721 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.327 -3.744 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.419 -3.467 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.019 -2.047 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.018 -2.479 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.249 -4.124 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.352 -2.813 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.412 -4.459 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.850 -3.829 6.395 1.00 0.00 H new ATOM 112 N ARG A 8 -6.321 -2.784 2.862 1.00 0.00 N ATOM 113 CA ARG A 8 -7.541 -2.087 2.413 1.00 0.00 C ATOM 114 C ARG A 8 -7.347 -0.574 2.255 1.00 0.00 C ATOM 115 O ARG A 8 -6.454 -0.007 2.885 1.00 0.00 O ATOM 116 CB ARG A 8 -8.671 -2.379 3.418 1.00 0.00 C ATOM 117 CG ARG A 8 -9.394 -3.659 2.996 1.00 0.00 C ATOM 118 CD ARG A 8 -10.485 -4.049 4.002 1.00 0.00 C ATOM 119 NE ARG A 8 -10.480 -5.503 4.252 1.00 0.00 N ATOM 120 CZ ARG A 8 -11.351 -6.195 4.963 1.00 0.00 C ATOM 121 NH1 ARG A 8 -12.402 -5.642 5.500 1.00 0.00 N ATOM 122 NH2 ARG A 8 -11.172 -7.471 5.154 1.00 0.00 N ATOM 0 H ARG A 8 -6.293 -2.911 3.874 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.796 -2.463 1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.262 -2.491 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.371 -1.544 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.840 -3.518 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.673 -4.472 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.328 -3.515 4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.460 -3.745 3.622 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.718 -6.033 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.572 -4.644 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.054 -6.207 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.358 -7.937 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.846 -8.004 5.704 1.00 0.00 H new ATOM 136 N PRO A 9 -8.199 0.107 1.466 1.00 0.00 N ATOM 137 CA PRO A 9 -8.134 1.554 1.287 1.00 0.00 C ATOM 138 C PRO A 9 -8.571 2.296 2.561 1.00 0.00 C ATOM 139 O PRO A 9 -9.565 1.939 3.197 1.00 0.00 O ATOM 140 CB PRO A 9 -9.041 1.851 0.093 1.00 0.00 C ATOM 141 CG PRO A 9 -10.087 0.740 0.151 1.00 0.00 C ATOM 142 CD PRO A 9 -9.304 -0.454 0.696 1.00 0.00 C ATOM 0 HA PRO A 9 -7.118 1.901 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.499 2.837 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.487 1.832 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.920 1.006 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.506 0.531 -0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.937 -1.082 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.935 -1.082 -0.115 1.00 0.00 H new ATOM 150 N GLY A 10 -7.803 3.308 2.964 1.00 0.00 N ATOM 151 CA GLY A 10 -8.057 4.141 4.147 1.00 0.00 C ATOM 152 C GLY A 10 -7.520 3.552 5.460 1.00 0.00 C ATOM 153 O GLY A 10 -7.514 4.237 6.483 1.00 0.00 O ATOM 0 H GLY A 10 -6.959 3.582 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.606 5.121 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.132 4.296 4.244 1.00 0.00 H new ATOM 157 N ASP A 11 -7.074 2.292 5.449 1.00 0.00 N ATOM 158 CA ASP A 11 -6.503 1.585 6.599 1.00 0.00 C ATOM 159 C ASP A 11 -5.251 2.320 7.112 1.00 0.00 C ATOM 160 O ASP A 11 -4.362 2.662 6.325 1.00 0.00 O ATOM 161 CB ASP A 11 -6.174 0.137 6.179 1.00 0.00 C ATOM 162 CG ASP A 11 -6.528 -0.903 7.247 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.712 -0.955 7.651 1.00 0.00 O ATOM 164 OD2 ASP A 11 -5.640 -1.694 7.636 1.00 0.00 O ATOM 0 H ASP A 11 -7.102 1.716 4.608 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.223 1.561 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.713 -0.098 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.110 0.066 5.952 1.00 0.00 H new ATOM 169 N LYS A 12 -5.183 2.595 8.421 1.00 0.00 N ATOM 170 CA LYS A 12 -4.026 3.246 9.053 1.00 0.00 C ATOM 171 C LYS A 12 -2.827 2.305 9.115 1.00 0.00 C ATOM 172 O LYS A 12 -2.778 1.382 9.935 1.00 0.00 O ATOM 173 CB LYS A 12 -4.367 3.787 10.451 1.00 0.00 C ATOM 174 CG LYS A 12 -4.817 5.255 10.404 1.00 0.00 C ATOM 175 CD LYS A 12 -4.607 5.940 11.765 1.00 0.00 C ATOM 176 CE LYS A 12 -4.691 7.469 11.660 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.043 7.941 11.259 1.00 0.00 N ATOM 0 H LYS A 12 -5.933 2.371 9.076 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.758 4.097 8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.157 3.179 10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.495 3.695 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.256 5.786 9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.869 5.308 10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.358 5.583 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.634 5.657 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.426 7.911 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.957 7.821 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.046 8.979 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.288 7.543 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.742 7.631 11.964 1.00 0.00 H new ATOM 191 N VAL A 13 -1.845 2.568 8.261 1.00 0.00 N ATOM 192 CA VAL A 13 -0.614 1.786 8.131 1.00 0.00 C ATOM 193 C VAL A 13 0.623 2.652 8.394 1.00 0.00 C ATOM 194 O VAL A 13 0.588 3.872 8.224 1.00 0.00 O ATOM 195 CB VAL A 13 -0.568 1.081 6.770 1.00 0.00 C ATOM 196 CG1 VAL A 13 -1.756 0.134 6.585 1.00 0.00 C ATOM 197 CG2 VAL A 13 -0.516 2.014 5.551 1.00 0.00 C ATOM 0 H VAL A 13 -1.882 3.358 7.616 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.609 1.008 8.894 1.00 0.00 H new ATOM 0 HB VAL A 13 0.374 0.534 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.689 -0.347 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.741 -0.626 7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.686 0.700 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.486 1.419 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.402 2.649 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.377 2.637 5.607 1.00 0.00 H new ATOM 207 N VAL A 14 1.730 2.039 8.818 1.00 0.00 N ATOM 208 CA VAL A 14 3.025 2.719 9.017 1.00 0.00 C ATOM 209 C VAL A 14 3.927 2.504 7.806 1.00 0.00 C ATOM 210 O VAL A 14 4.154 1.373 7.372 1.00 0.00 O ATOM 211 CB VAL A 14 3.719 2.305 10.332 1.00 0.00 C ATOM 212 CG1 VAL A 14 3.731 0.795 10.562 1.00 0.00 C ATOM 213 CG2 VAL A 14 5.166 2.814 10.434 1.00 0.00 C ATOM 0 H VAL A 14 1.759 1.043 9.037 1.00 0.00 H new ATOM 0 HA VAL A 14 2.824 3.786 9.111 1.00 0.00 H new ATOM 0 HB VAL A 14 3.112 2.778 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.234 0.574 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.707 0.425 10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.261 0.307 9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.600 2.491 11.380 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.753 2.410 9.609 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.173 3.903 10.385 1.00 0.00 H new ATOM 223 N LEU A 15 4.452 3.602 7.263 1.00 0.00 N ATOM 224 CA LEU A 15 5.415 3.587 6.165 1.00 0.00 C ATOM 225 C LEU A 15 6.476 4.687 6.363 1.00 0.00 C ATOM 226 O LEU A 15 6.181 5.860 6.130 1.00 0.00 O ATOM 227 CB LEU A 15 4.645 3.697 4.842 1.00 0.00 C ATOM 228 CG LEU A 15 5.500 3.568 3.567 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.521 2.429 3.624 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.580 3.269 2.385 1.00 0.00 C ATOM 0 H LEU A 15 4.215 4.542 7.580 1.00 0.00 H new ATOM 0 HA LEU A 15 5.971 2.650 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.876 2.924 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.131 4.658 4.819 1.00 0.00 H new ATOM 0 HG LEU A 15 6.039 4.510 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.086 2.400 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.204 2.594 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.001 1.481 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.174 3.175 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.046 2.337 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.863 4.081 2.268 1.00 0.00 H new ATOM 242 N PRO A 16 7.682 4.361 6.860 1.00 0.00 N ATOM 243 CA PRO A 16 8.756 5.340 7.028 1.00 0.00 C ATOM 244 C PRO A 16 9.335 5.833 5.677 1.00 0.00 C ATOM 245 O PRO A 16 9.153 5.169 4.650 1.00 0.00 O ATOM 246 CB PRO A 16 9.803 4.634 7.900 1.00 0.00 C ATOM 247 CG PRO A 16 9.591 3.151 7.604 1.00 0.00 C ATOM 248 CD PRO A 16 8.091 3.052 7.351 1.00 0.00 C ATOM 0 HA PRO A 16 8.394 6.254 7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.814 4.951 7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.656 4.855 8.957 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.167 2.828 6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.899 2.526 8.442 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.869 2.274 6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.557 2.793 8.265 1.00 0.00 H new ATOM 256 N PRO A 17 10.043 6.983 5.655 1.00 0.00 N ATOM 257 CA PRO A 17 10.345 7.855 6.799 1.00 0.00 C ATOM 258 C PRO A 17 9.152 8.709 7.280 1.00 0.00 C ATOM 259 O PRO A 17 9.233 9.316 8.349 1.00 0.00 O ATOM 260 CB PRO A 17 11.503 8.738 6.321 1.00 0.00 C ATOM 261 CG PRO A 17 11.232 8.884 4.826 1.00 0.00 C ATOM 262 CD PRO A 17 10.670 7.514 4.449 1.00 0.00 C ATOM 0 HA PRO A 17 10.595 7.253 7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.509 9.704 6.826 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.470 8.273 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.521 9.684 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.141 9.115 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.945 7.600 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.462 6.852 4.099 1.00 0.00 H new ATOM 270 N TYR A 18 8.033 8.724 6.542 1.00 0.00 N ATOM 271 CA TYR A 18 6.790 9.429 6.899 1.00 0.00 C ATOM 272 C TYR A 18 6.238 8.991 8.268 1.00 0.00 C ATOM 273 O TYR A 18 5.827 9.821 9.082 1.00 0.00 O ATOM 274 CB TYR A 18 5.728 9.203 5.803 1.00 0.00 C ATOM 275 CG TYR A 18 6.242 9.319 4.379 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.609 10.583 3.881 1.00 0.00 C ATOM 277 CD2 TYR A 18 6.371 8.173 3.563 1.00 0.00 C ATOM 278 CE1 TYR A 18 7.110 10.707 2.572 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.873 8.291 2.248 1.00 0.00 C ATOM 280 CZ TYR A 18 7.252 9.562 1.757 1.00 0.00 C ATOM 281 OH TYR A 18 7.775 9.698 0.507 1.00 0.00 O ATOM 0 H TYR A 18 7.964 8.231 5.652 1.00 0.00 H new ATOM 0 HA TYR A 18 7.027 10.490 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.294 8.212 5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.924 9.925 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.506 11.459 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.085 7.204 3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.386 11.679 2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.967 7.416 1.622 1.00 0.00 H new ATOM 0 HH TYR A 18 7.810 8.822 0.070 1.00 0.00 H new ATOM 291 N GLY A 19 6.238 7.678 8.521 1.00 0.00 N ATOM 292 CA GLY A 19 5.846 7.034 9.782 1.00 0.00 C ATOM 293 C GLY A 19 4.364 6.647 9.843 1.00 0.00 C ATOM 294 O GLY A 19 3.989 5.757 10.604 1.00 0.00 O ATOM 0 H GLY A 19 6.526 6.999 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.452 6.140 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.071 7.708 10.609 1.00 0.00 H new ATOM 298 N VAL A 20 3.511 7.296 9.047 1.00 0.00 N ATOM 299 CA VAL A 20 2.079 6.997 8.888 1.00 0.00 C ATOM 300 C VAL A 20 1.667 7.264 7.438 1.00 0.00 C ATOM 301 O VAL A 20 2.119 8.240 6.837 1.00 0.00 O ATOM 302 CB VAL A 20 1.208 7.866 9.831 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.275 7.478 9.743 1.00 0.00 C ATOM 304 CG2 VAL A 20 1.618 7.764 11.306 1.00 0.00 C ATOM 0 H VAL A 20 3.810 8.081 8.468 1.00 0.00 H new ATOM 0 HA VAL A 20 1.920 5.950 9.146 1.00 0.00 H new ATOM 0 HB VAL A 20 1.367 8.888 9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.856 8.107 10.417 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.628 7.618 8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.395 6.433 10.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.967 8.397 11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.527 6.730 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.651 8.093 11.420 1.00 0.00 H new ATOM 314 N GLY A 21 0.787 6.430 6.889 1.00 0.00 N ATOM 315 CA GLY A 21 0.189 6.570 5.561 1.00 0.00 C ATOM 316 C GLY A 21 -1.163 5.858 5.476 1.00 0.00 C ATOM 317 O GLY A 21 -1.540 5.101 6.375 1.00 0.00 O ATOM 0 H GLY A 21 0.455 5.599 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.060 7.627 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.865 6.159 4.811 1.00 0.00 H new ATOM 321 N VAL A 22 -1.894 6.087 4.383 1.00 0.00 N ATOM 322 CA VAL A 22 -3.163 5.414 4.078 1.00 0.00 C ATOM 323 C VAL A 22 -3.148 4.896 2.642 1.00 0.00 C ATOM 324 O VAL A 22 -2.722 5.586 1.713 1.00 0.00 O ATOM 325 CB VAL A 22 -4.388 6.309 4.351 1.00 0.00 C ATOM 326 CG1 VAL A 22 -4.428 6.782 5.810 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.517 7.520 3.414 1.00 0.00 C ATOM 0 H VAL A 22 -1.616 6.760 3.668 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.259 4.564 4.753 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.243 5.665 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.305 7.410 5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.480 5.917 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.528 7.355 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.406 8.092 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.635 8.153 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.601 7.175 2.383 1.00 0.00 H new ATOM 337 N VAL A 23 -3.581 3.652 2.459 1.00 0.00 N ATOM 338 CA VAL A 23 -3.684 3.021 1.134 1.00 0.00 C ATOM 339 C VAL A 23 -4.859 3.649 0.364 1.00 0.00 C ATOM 340 O VAL A 23 -5.896 3.941 0.958 1.00 0.00 O ATOM 341 CB VAL A 23 -3.867 1.499 1.295 1.00 0.00 C ATOM 342 CG1 VAL A 23 -3.885 0.788 -0.064 1.00 0.00 C ATOM 343 CG2 VAL A 23 -2.808 0.853 2.217 1.00 0.00 C ATOM 0 H VAL A 23 -3.873 3.045 3.225 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.769 3.190 0.566 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.836 1.369 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.016 -0.283 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.709 1.173 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.943 0.969 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.993 -0.219 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.814 1.023 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.870 1.299 3.210 1.00 0.00 H new ATOM 353 N ALA A 24 -4.727 3.841 -0.949 1.00 0.00 N ATOM 354 CA ALA A 24 -5.755 4.415 -1.824 1.00 0.00 C ATOM 355 C ALA A 24 -6.446 3.345 -2.692 1.00 0.00 C ATOM 356 O ALA A 24 -7.675 3.313 -2.780 1.00 0.00 O ATOM 357 CB ALA A 24 -5.116 5.512 -2.688 1.00 0.00 C ATOM 0 H ALA A 24 -3.874 3.594 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.539 4.850 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.872 5.946 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.705 6.289 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.317 5.081 -3.292 1.00 0.00 H new ATOM 363 N GLY A 25 -5.664 2.455 -3.312 1.00 0.00 N ATOM 364 CA GLY A 25 -6.155 1.318 -4.099 1.00 0.00 C ATOM 365 C GLY A 25 -5.032 0.500 -4.741 1.00 0.00 C ATOM 366 O GLY A 25 -3.848 0.805 -4.572 1.00 0.00 O ATOM 0 H GLY A 25 -4.646 2.507 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.747 0.668 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.821 1.685 -4.880 1.00 0.00 H new ATOM 370 N ILE A 26 -5.415 -0.553 -5.467 1.00 0.00 N ATOM 371 CA ILE A 26 -4.516 -1.432 -6.221 1.00 0.00 C ATOM 372 C ILE A 26 -4.309 -0.866 -7.630 1.00 0.00 C ATOM 373 O ILE A 26 -5.258 -0.774 -8.415 1.00 0.00 O ATOM 374 CB ILE A 26 -5.052 -2.887 -6.294 1.00 0.00 C ATOM 375 CG1 ILE A 26 -5.079 -3.604 -4.925 1.00 0.00 C ATOM 376 CG2 ILE A 26 -4.130 -3.710 -7.211 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.225 -3.192 -3.996 1.00 0.00 C ATOM 0 H ILE A 26 -6.394 -0.827 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.561 -1.469 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.074 -2.819 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.140 -4.679 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.134 -3.416 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.496 -4.735 -7.270 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.121 -3.270 -8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.118 -3.709 -6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.156 -3.751 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.157 -2.125 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.179 -3.407 -4.478 1.00 0.00 H new ATOM 389 N ALA A 27 -3.065 -0.522 -7.961 1.00 0.00 N ATOM 390 CA ALA A 27 -2.657 -0.061 -9.289 1.00 0.00 C ATOM 391 C ALA A 27 -1.775 -1.118 -9.972 1.00 0.00 C ATOM 392 O ALA A 27 -0.687 -1.432 -9.488 1.00 0.00 O ATOM 393 CB ALA A 27 -1.923 1.279 -9.165 1.00 0.00 C ATOM 0 H ALA A 27 -2.292 -0.557 -7.296 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.541 0.086 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.620 1.621 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.586 2.017 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.040 1.154 -8.538 1.00 0.00 H new ATOM 399 N GLN A 28 -2.238 -1.696 -11.083 1.00 0.00 N ATOM 400 CA GLN A 28 -1.434 -2.634 -11.868 1.00 0.00 C ATOM 401 C GLN A 28 -0.449 -1.878 -12.778 1.00 0.00 C ATOM 402 O GLN A 28 -0.863 -1.204 -13.725 1.00 0.00 O ATOM 403 CB GLN A 28 -2.333 -3.592 -12.664 1.00 0.00 C ATOM 404 CG GLN A 28 -3.291 -4.377 -11.749 1.00 0.00 C ATOM 405 CD GLN A 28 -3.571 -5.782 -12.272 1.00 0.00 C ATOM 406 OE1 GLN A 28 -4.609 -6.074 -12.851 1.00 0.00 O ATOM 407 NE2 GLN A 28 -2.657 -6.712 -12.082 1.00 0.00 N ATOM 0 H GLN A 28 -3.171 -1.529 -11.460 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.843 -3.242 -11.183 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.911 -3.025 -13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.712 -4.291 -13.224 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.862 -4.443 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.231 -3.832 -11.658 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.788 -6.482 -11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.819 -7.662 -12.416 1.00 0.00 H new ATOM 416 N ARG A 29 0.858 -1.999 -12.506 1.00 0.00 N ATOM 417 CA ARG A 29 1.951 -1.413 -13.300 1.00 0.00 C ATOM 418 C ARG A 29 2.543 -2.447 -14.259 1.00 0.00 C ATOM 419 O ARG A 29 3.010 -3.499 -13.831 1.00 0.00 O ATOM 420 CB ARG A 29 3.032 -0.826 -12.370 1.00 0.00 C ATOM 421 CG ARG A 29 4.143 -0.063 -13.120 1.00 0.00 C ATOM 422 CD ARG A 29 3.609 1.187 -13.834 1.00 0.00 C ATOM 423 NE ARG A 29 4.655 1.873 -14.617 1.00 0.00 N ATOM 424 CZ ARG A 29 4.528 3.032 -15.239 1.00 0.00 C ATOM 425 NH1 ARG A 29 3.432 3.735 -15.173 1.00 0.00 N ATOM 426 NH2 ARG A 29 5.506 3.516 -15.948 1.00 0.00 N ATOM 0 H ARG A 29 1.196 -2.525 -11.700 1.00 0.00 H new ATOM 0 HA ARG A 29 1.546 -0.601 -13.904 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.558 -0.152 -11.656 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.483 -1.635 -11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.921 0.228 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.607 -0.726 -13.850 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.790 0.903 -14.495 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.199 1.877 -13.097 1.00 0.00 H new ATOM 0 HE ARG A 29 5.561 1.409 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.639 3.394 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.367 4.626 -15.665 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.382 3.000 -16.028 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.396 4.412 -16.424 1.00 0.00 H new ATOM 440 N SER A 30 2.507 -2.147 -15.552 1.00 0.00 N ATOM 441 CA SER A 30 3.098 -2.916 -16.656 1.00 0.00 C ATOM 442 C SER A 30 4.633 -2.967 -16.565 1.00 0.00 C ATOM 443 O SER A 30 5.313 -1.964 -16.794 1.00 0.00 O ATOM 444 CB SER A 30 2.620 -2.328 -17.998 1.00 0.00 C ATOM 445 OG SER A 30 2.400 -0.920 -17.924 1.00 0.00 O ATOM 0 H SER A 30 2.035 -1.307 -15.886 1.00 0.00 H new ATOM 0 HA SER A 30 2.760 -3.950 -16.584 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.362 -2.538 -18.769 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.697 -2.822 -18.301 1.00 0.00 H new ATOM 0 HG SER A 30 2.100 -0.589 -18.796 1.00 0.00 H new ATOM 451 N VAL A 31 5.188 -4.135 -16.208 1.00 0.00 N ATOM 452 CA VAL A 31 6.635 -4.385 -16.032 1.00 0.00 C ATOM 453 C VAL A 31 7.036 -5.713 -16.685 1.00 0.00 C ATOM 454 O VAL A 31 6.451 -6.753 -16.399 1.00 0.00 O ATOM 455 CB VAL A 31 7.029 -4.388 -14.536 1.00 0.00 C ATOM 456 CG1 VAL A 31 8.541 -4.607 -14.378 1.00 0.00 C ATOM 457 CG2 VAL A 31 6.648 -3.074 -13.839 1.00 0.00 C ATOM 0 H VAL A 31 4.624 -4.965 -16.026 1.00 0.00 H new ATOM 0 HA VAL A 31 7.172 -3.573 -16.522 1.00 0.00 H new ATOM 0 HB VAL A 31 6.479 -5.204 -14.068 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.800 -4.606 -13.319 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.818 -5.565 -14.819 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.080 -3.806 -14.884 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.943 -3.120 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.160 -2.243 -14.324 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.570 -2.925 -13.907 1.00 0.00 H new ATOM 467 N SER A 32 8.033 -5.704 -17.578 1.00 0.00 N ATOM 468 CA SER A 32 8.503 -6.901 -18.312 1.00 0.00 C ATOM 469 C SER A 32 7.395 -7.608 -19.129 1.00 0.00 C ATOM 470 O SER A 32 7.456 -8.814 -19.381 1.00 0.00 O ATOM 471 CB SER A 32 9.204 -7.856 -17.327 1.00 0.00 C ATOM 472 OG SER A 32 10.180 -8.654 -17.979 1.00 0.00 O ATOM 0 H SER A 32 8.548 -4.857 -17.819 1.00 0.00 H new ATOM 0 HA SER A 32 9.219 -6.569 -19.064 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.677 -7.278 -16.533 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.463 -8.500 -16.854 1.00 0.00 H new ATOM 0 HG SER A 32 10.607 -9.247 -17.326 1.00 0.00 H new ATOM 478 N GLY A 33 6.357 -6.863 -19.525 1.00 0.00 N ATOM 479 CA GLY A 33 5.159 -7.347 -20.227 1.00 0.00 C ATOM 480 C GLY A 33 4.021 -7.845 -19.319 1.00 0.00 C ATOM 481 O GLY A 33 2.903 -8.030 -19.807 1.00 0.00 O ATOM 0 H GLY A 33 6.326 -5.857 -19.357 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.775 -6.542 -20.854 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.451 -8.158 -20.893 1.00 0.00 H new ATOM 485 N VAL A 34 4.260 -8.032 -18.013 1.00 0.00 N ATOM 486 CA VAL A 34 3.264 -8.458 -17.013 1.00 0.00 C ATOM 487 C VAL A 34 2.862 -7.297 -16.097 1.00 0.00 C ATOM 488 O VAL A 34 3.710 -6.608 -15.526 1.00 0.00 O ATOM 489 CB VAL A 34 3.738 -9.681 -16.197 1.00 0.00 C ATOM 490 CG1 VAL A 34 3.808 -10.931 -17.084 1.00 0.00 C ATOM 491 CG2 VAL A 34 5.098 -9.532 -15.498 1.00 0.00 C ATOM 0 H VAL A 34 5.184 -7.886 -17.607 1.00 0.00 H new ATOM 0 HA VAL A 34 2.377 -8.772 -17.564 1.00 0.00 H new ATOM 0 HB VAL A 34 2.987 -9.770 -15.413 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.144 -11.781 -16.490 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.820 -11.142 -17.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.510 -10.759 -17.900 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.331 -10.448 -14.956 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.871 -9.345 -16.243 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.058 -8.697 -14.799 1.00 0.00 H new ATOM 501 N SER A 35 1.565 -7.032 -15.957 1.00 0.00 N ATOM 502 CA SER A 35 1.079 -5.992 -15.041 1.00 0.00 C ATOM 503 C SER A 35 1.100 -6.523 -13.601 1.00 0.00 C ATOM 504 O SER A 35 0.406 -7.499 -13.298 1.00 0.00 O ATOM 505 CB SER A 35 -0.339 -5.515 -15.417 1.00 0.00 C ATOM 506 OG SER A 35 -0.640 -5.670 -16.799 1.00 0.00 O ATOM 0 H SER A 35 0.828 -7.521 -16.465 1.00 0.00 H new ATOM 0 HA SER A 35 1.743 -5.131 -15.123 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.069 -6.071 -14.829 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.445 -4.465 -15.145 1.00 0.00 H new ATOM 0 HG SER A 35 -1.551 -5.352 -16.973 1.00 0.00 H new ATOM 512 N ARG A 36 1.853 -5.886 -12.694 1.00 0.00 N ATOM 513 CA ARG A 36 1.906 -6.263 -11.265 1.00 0.00 C ATOM 514 C ARG A 36 1.138 -5.257 -10.429 1.00 0.00 C ATOM 515 O ARG A 36 1.287 -4.055 -10.617 1.00 0.00 O ATOM 516 CB ARG A 36 3.352 -6.368 -10.755 1.00 0.00 C ATOM 517 CG ARG A 36 4.236 -7.215 -11.676 1.00 0.00 C ATOM 518 CD ARG A 36 5.337 -7.980 -10.918 1.00 0.00 C ATOM 519 NE ARG A 36 5.521 -9.340 -11.467 1.00 0.00 N ATOM 520 CZ ARG A 36 4.712 -10.376 -11.311 1.00 0.00 C ATOM 521 NH1 ARG A 36 3.633 -10.314 -10.580 1.00 0.00 N ATOM 522 NH2 ARG A 36 4.961 -11.508 -11.904 1.00 0.00 N ATOM 0 H ARG A 36 2.447 -5.090 -12.927 1.00 0.00 H new ATOM 0 HA ARG A 36 1.445 -7.246 -11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.777 -5.368 -10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.351 -6.803 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.612 -7.928 -12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.698 -6.568 -12.422 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.276 -7.429 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.077 -8.044 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 36 6.360 -9.497 -12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.388 -9.445 -10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.034 -11.134 -10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.786 -11.603 -12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.331 -12.300 -11.777 1.00 0.00 H new ATOM 536 N ALA A 37 0.311 -5.746 -9.514 1.00 0.00 N ATOM 537 CA ALA A 37 -0.446 -4.910 -8.594 1.00 0.00 C ATOM 538 C ALA A 37 0.460 -4.266 -7.527 1.00 0.00 C ATOM 539 O ALA A 37 1.360 -4.907 -6.975 1.00 0.00 O ATOM 540 CB ALA A 37 -1.555 -5.776 -7.993 1.00 0.00 C ATOM 0 H ALA A 37 0.146 -6.745 -9.389 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.893 -4.068 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.145 -5.180 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.200 -6.146 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.112 -6.620 -7.464 1.00 0.00 H new ATOM 546 N TYR A 38 0.174 -3.002 -7.218 1.00 0.00 N ATOM 547 CA TYR A 38 0.876 -2.179 -6.239 1.00 0.00 C ATOM 548 C TYR A 38 -0.102 -1.302 -5.446 1.00 0.00 C ATOM 549 O TYR A 38 -0.889 -0.556 -6.036 1.00 0.00 O ATOM 550 CB TYR A 38 1.907 -1.306 -6.967 1.00 0.00 C ATOM 551 CG TYR A 38 3.127 -2.058 -7.475 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.115 -2.462 -6.560 1.00 0.00 C ATOM 553 CD2 TYR A 38 3.280 -2.366 -8.842 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.225 -3.214 -6.990 1.00 0.00 C ATOM 555 CE2 TYR A 38 4.403 -3.090 -9.281 1.00 0.00 C ATOM 556 CZ TYR A 38 5.357 -3.553 -8.352 1.00 0.00 C ATOM 557 OH TYR A 38 6.377 -4.349 -8.775 1.00 0.00 O ATOM 0 H TYR A 38 -0.592 -2.501 -7.667 1.00 0.00 H new ATOM 0 HA TYR A 38 1.382 -2.832 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.419 -0.818 -7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.238 -0.517 -6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.022 -2.193 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.533 -2.045 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.973 -3.530 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.535 -3.292 -10.334 1.00 0.00 H new ATOM 0 HH TYR A 38 6.311 -4.479 -9.744 1.00 0.00 H new ATOM 567 N TYR A 39 -0.079 -1.390 -4.115 1.00 0.00 N ATOM 568 CA TYR A 39 -0.882 -0.534 -3.235 1.00 0.00 C ATOM 569 C TYR A 39 -0.364 0.905 -3.273 1.00 0.00 C ATOM 570 O TYR A 39 0.789 1.148 -2.918 1.00 0.00 O ATOM 571 CB TYR A 39 -0.830 -1.053 -1.791 1.00 0.00 C ATOM 572 CG TYR A 39 -1.246 -2.494 -1.594 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.413 -2.986 -2.206 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.466 -3.338 -0.783 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.797 -4.326 -2.020 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.855 -4.674 -0.585 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.028 -5.172 -1.193 1.00 0.00 C ATOM 578 OH TYR A 39 -2.398 -6.466 -1.005 1.00 0.00 O ATOM 0 H TYR A 39 0.501 -2.062 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.913 -0.555 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.188 -0.934 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.471 -0.422 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.016 -2.333 -2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.430 -2.960 -0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.680 -4.708 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.254 -5.323 0.035 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.757 -6.906 -0.408 1.00 0.00 H new ATOM 588 N GLN A 40 -1.198 1.853 -3.704 1.00 0.00 N ATOM 589 CA GLN A 40 -0.875 3.283 -3.735 1.00 0.00 C ATOM 590 C GLN A 40 -1.014 3.890 -2.328 1.00 0.00 C ATOM 591 O GLN A 40 -2.129 4.130 -1.872 1.00 0.00 O ATOM 592 CB GLN A 40 -1.823 4.011 -4.707 1.00 0.00 C ATOM 593 CG GLN A 40 -1.893 3.410 -6.117 1.00 0.00 C ATOM 594 CD GLN A 40 -2.905 4.153 -6.990 1.00 0.00 C ATOM 595 OE1 GLN A 40 -3.906 3.616 -7.446 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.700 5.428 -7.238 1.00 0.00 N ATOM 0 H GLN A 40 -2.135 1.646 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 40 0.154 3.403 -4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.826 4.014 -4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.508 5.051 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.908 3.453 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.169 2.358 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.872 5.893 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.369 5.952 -7.802 1.00 0.00 H new ATOM 605 N VAL A 41 0.085 4.134 -1.614 1.00 0.00 N ATOM 606 CA VAL A 41 0.066 4.757 -0.276 1.00 0.00 C ATOM 607 C VAL A 41 0.246 6.266 -0.407 1.00 0.00 C ATOM 608 O VAL A 41 1.330 6.719 -0.761 1.00 0.00 O ATOM 609 CB VAL A 41 1.139 4.177 0.660 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.843 4.609 2.105 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.186 2.648 0.602 1.00 0.00 C ATOM 0 H VAL A 41 1.023 3.906 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.902 4.535 0.172 1.00 0.00 H new ATOM 0 HB VAL A 41 2.105 4.560 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.603 4.199 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.854 5.697 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.138 4.238 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.958 2.282 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.219 2.243 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.414 2.329 -0.415 1.00 0.00 H new ATOM 621 N ASP A 42 -0.811 7.039 -0.168 1.00 0.00 N ATOM 622 CA ASP A 42 -0.809 8.507 -0.243 1.00 0.00 C ATOM 623 C ASP A 42 -0.645 9.112 1.166 1.00 0.00 C ATOM 624 O ASP A 42 -1.338 8.709 2.106 1.00 0.00 O ATOM 625 CB ASP A 42 -2.119 8.963 -0.913 1.00 0.00 C ATOM 626 CG ASP A 42 -1.967 10.282 -1.689 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.626 11.316 -1.069 1.00 0.00 O ATOM 628 OD2 ASP A 42 -2.227 10.292 -2.915 1.00 0.00 O ATOM 0 H ASP A 42 -1.720 6.656 0.091 1.00 0.00 H new ATOM 0 HA ASP A 42 0.032 8.857 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.463 8.184 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.889 9.083 -0.150 1.00 0.00 H new ATOM 633 N PHE A 43 0.282 10.057 1.339 1.00 0.00 N ATOM 634 CA PHE A 43 0.599 10.667 2.640 1.00 0.00 C ATOM 635 C PHE A 43 0.107 12.125 2.715 1.00 0.00 C ATOM 636 O PHE A 43 0.186 12.842 1.711 1.00 0.00 O ATOM 637 CB PHE A 43 2.112 10.606 2.902 1.00 0.00 C ATOM 638 CG PHE A 43 2.756 9.291 2.518 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.731 8.194 3.394 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.327 9.148 1.242 1.00 0.00 C ATOM 641 CE1 PHE A 43 3.283 6.969 2.999 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.884 7.925 0.842 1.00 0.00 C ATOM 643 CZ PHE A 43 3.867 6.836 1.727 1.00 0.00 C ATOM 0 H PHE A 43 0.843 10.427 0.572 1.00 0.00 H new ATOM 0 HA PHE A 43 0.078 10.097 3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.598 11.410 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.294 10.791 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.286 8.295 4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.337 9.988 0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.260 6.125 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.323 7.822 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.303 5.894 1.430 1.00 0.00 H new ATOM 653 N PRO A 44 -0.356 12.611 3.883 1.00 0.00 N ATOM 654 CA PRO A 44 -0.797 13.998 4.039 1.00 0.00 C ATOM 655 C PRO A 44 0.369 14.999 3.926 1.00 0.00 C ATOM 656 O PRO A 44 1.545 14.647 4.056 1.00 0.00 O ATOM 657 CB PRO A 44 -1.483 14.049 5.408 1.00 0.00 C ATOM 658 CG PRO A 44 -0.778 12.949 6.200 1.00 0.00 C ATOM 659 CD PRO A 44 -0.492 11.887 5.140 1.00 0.00 C ATOM 0 HA PRO A 44 -1.479 14.294 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.364 15.024 5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.554 13.863 5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.139 13.312 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.409 12.561 7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.418 11.335 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.301 11.159 5.087 1.00 0.00 H new ATOM 667 N GLY A 45 0.038 16.270 3.681 1.00 0.00 N ATOM 668 CA GLY A 45 0.991 17.378 3.511 1.00 0.00 C ATOM 669 C GLY A 45 1.630 17.487 2.116 1.00 0.00 C ATOM 670 O GLY A 45 2.245 18.511 1.807 1.00 0.00 O ATOM 0 H GLY A 45 -0.933 16.569 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.478 18.314 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.786 17.269 4.249 1.00 0.00 H new ATOM 674 N SER A 46 1.491 16.463 1.266 1.00 0.00 N ATOM 675 CA SER A 46 2.011 16.414 -0.109 1.00 0.00 C ATOM 676 C SER A 46 1.203 15.449 -0.999 1.00 0.00 C ATOM 677 O SER A 46 0.157 14.941 -0.592 1.00 0.00 O ATOM 678 CB SER A 46 3.497 16.012 -0.075 1.00 0.00 C ATOM 679 OG SER A 46 4.217 16.758 -1.040 1.00 0.00 O ATOM 0 H SER A 46 0.994 15.611 1.526 1.00 0.00 H new ATOM 0 HA SER A 46 1.910 17.406 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.909 16.191 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.600 14.946 -0.275 1.00 0.00 H new ATOM 0 HG SER A 46 5.162 16.501 -1.014 1.00 0.00 H new ATOM 685 N ARG A 47 1.680 15.201 -2.227 1.00 0.00 N ATOM 686 CA ARG A 47 1.131 14.234 -3.209 1.00 0.00 C ATOM 687 C ARG A 47 2.003 12.987 -3.388 1.00 0.00 C ATOM 688 O ARG A 47 1.735 12.167 -4.267 1.00 0.00 O ATOM 689 CB ARG A 47 0.868 14.952 -4.543 1.00 0.00 C ATOM 690 CG ARG A 47 -0.540 15.557 -4.552 1.00 0.00 C ATOM 691 CD ARG A 47 -0.660 16.683 -5.585 1.00 0.00 C ATOM 692 NE ARG A 47 -0.883 17.981 -4.920 1.00 0.00 N ATOM 693 CZ ARG A 47 -1.045 19.156 -5.494 1.00 0.00 C ATOM 694 NH1 ARG A 47 -0.968 19.308 -6.786 1.00 0.00 N ATOM 695 NH2 ARG A 47 -1.296 20.209 -4.770 1.00 0.00 N ATOM 0 H ARG A 47 2.500 15.690 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 47 0.187 13.859 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.609 15.737 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.975 14.249 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.270 14.779 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.777 15.944 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.247 16.729 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.484 16.472 -6.266 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.915 17.967 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.777 18.504 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.098 20.231 -7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.368 20.125 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.421 21.117 -5.217 1.00 0.00 H new ATOM 709 N SER A 48 3.040 12.840 -2.564 1.00 0.00 N ATOM 710 CA SER A 48 3.907 11.659 -2.534 1.00 0.00 C ATOM 711 C SER A 48 3.070 10.383 -2.423 1.00 0.00 C ATOM 712 O SER A 48 2.191 10.267 -1.565 1.00 0.00 O ATOM 713 CB SER A 48 4.915 11.761 -1.384 1.00 0.00 C ATOM 714 OG SER A 48 5.984 12.594 -1.807 1.00 0.00 O ATOM 0 H SER A 48 3.308 13.552 -1.884 1.00 0.00 H new ATOM 0 HA SER A 48 4.467 11.614 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.438 12.175 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.287 10.772 -1.115 1.00 0.00 H new ATOM 0 HG SER A 48 6.641 12.675 -1.085 1.00 0.00 H new ATOM 720 N LYS A 49 3.348 9.439 -3.325 1.00 0.00 N ATOM 721 CA LYS A 49 2.761 8.100 -3.360 1.00 0.00 C ATOM 722 C LYS A 49 3.872 7.062 -3.296 1.00 0.00 C ATOM 723 O LYS A 49 4.911 7.222 -3.942 1.00 0.00 O ATOM 724 CB LYS A 49 1.899 7.932 -4.628 1.00 0.00 C ATOM 725 CG LYS A 49 0.497 8.556 -4.472 1.00 0.00 C ATOM 726 CD LYS A 49 0.085 9.401 -5.687 1.00 0.00 C ATOM 727 CE LYS A 49 -0.152 8.554 -6.945 1.00 0.00 C ATOM 728 NZ LYS A 49 0.041 9.355 -8.184 1.00 0.00 N ATOM 0 H LYS A 49 4.015 9.594 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 49 2.109 7.958 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.408 8.395 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.798 6.871 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.235 7.762 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.479 9.179 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.824 9.953 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.861 10.138 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.532 7.706 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.163 8.148 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.126 8.754 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.629 10.150 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.014 9.722 -8.212 1.00 0.00 H new ATOM 742 N ALA A 50 3.632 5.985 -2.558 1.00 0.00 N ATOM 743 CA ALA A 50 4.530 4.839 -2.459 1.00 0.00 C ATOM 744 C ALA A 50 3.801 3.585 -2.950 1.00 0.00 C ATOM 745 O ALA A 50 2.692 3.308 -2.501 1.00 0.00 O ATOM 746 CB ALA A 50 5.023 4.694 -1.020 1.00 0.00 C ATOM 0 H ALA A 50 2.786 5.881 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 50 5.407 4.985 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.693 3.837 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.557 5.598 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.171 4.544 -0.357 1.00 0.00 H new ATOM 752 N TYR A 51 4.392 2.863 -3.901 1.00 0.00 N ATOM 753 CA TYR A 51 3.797 1.683 -4.534 1.00 0.00 C ATOM 754 C TYR A 51 4.305 0.402 -3.862 1.00 0.00 C ATOM 755 O TYR A 51 5.445 -0.012 -4.085 1.00 0.00 O ATOM 756 CB TYR A 51 4.124 1.694 -6.043 1.00 0.00 C ATOM 757 CG TYR A 51 3.135 2.439 -6.926 1.00 0.00 C ATOM 758 CD1 TYR A 51 2.685 3.729 -6.582 1.00 0.00 C ATOM 759 CD2 TYR A 51 2.672 1.835 -8.112 1.00 0.00 C ATOM 760 CE1 TYR A 51 1.758 4.400 -7.399 1.00 0.00 C ATOM 761 CE2 TYR A 51 1.730 2.493 -8.925 1.00 0.00 C ATOM 762 CZ TYR A 51 1.266 3.777 -8.570 1.00 0.00 C ATOM 763 OH TYR A 51 0.360 4.403 -9.369 1.00 0.00 O ATOM 0 H TYR A 51 5.319 3.086 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 51 2.714 1.709 -4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.110 2.137 -6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.188 0.663 -6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.054 4.205 -5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.042 0.862 -8.399 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.422 5.391 -7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.362 2.015 -9.821 1.00 0.00 H new ATOM 0 HH TYR A 51 0.138 3.824 -10.128 1.00 0.00 H new ATOM 773 N VAL A 52 3.478 -0.217 -3.016 1.00 0.00 N ATOM 774 CA VAL A 52 3.867 -1.413 -2.241 1.00 0.00 C ATOM 775 C VAL A 52 3.495 -2.707 -2.977 1.00 0.00 C ATOM 776 O VAL A 52 2.331 -2.862 -3.354 1.00 0.00 O ATOM 777 CB VAL A 52 3.250 -1.410 -0.837 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.624 -2.675 -0.056 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.696 -0.155 -0.066 1.00 0.00 C ATOM 0 H VAL A 52 2.521 0.090 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 52 4.951 -1.375 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 52 2.166 -1.397 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.170 -2.639 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.261 -3.553 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.708 -2.734 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.252 -0.163 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.783 -0.148 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.370 0.736 -0.602 1.00 0.00 H new ATOM 789 N PRO A 53 4.439 -3.647 -3.175 1.00 0.00 N ATOM 790 CA PRO A 53 4.192 -4.916 -3.862 1.00 0.00 C ATOM 791 C PRO A 53 3.202 -5.810 -3.104 1.00 0.00 C ATOM 792 O PRO A 53 3.438 -6.163 -1.948 1.00 0.00 O ATOM 793 CB PRO A 53 5.570 -5.582 -3.983 1.00 0.00 C ATOM 794 CG PRO A 53 6.394 -4.970 -2.855 1.00 0.00 C ATOM 795 CD PRO A 53 5.834 -3.560 -2.757 1.00 0.00 C ATOM 0 HA PRO A 53 3.729 -4.751 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.498 -6.665 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.021 -5.385 -4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.273 -5.519 -1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.459 -4.967 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.912 -3.180 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.390 -2.875 -3.397 1.00 0.00 H new ATOM 803 N VAL A 54 2.116 -6.229 -3.762 1.00 0.00 N ATOM 804 CA VAL A 54 1.107 -7.137 -3.170 1.00 0.00 C ATOM 805 C VAL A 54 1.642 -8.543 -2.861 1.00 0.00 C ATOM 806 O VAL A 54 1.124 -9.233 -1.985 1.00 0.00 O ATOM 807 CB VAL A 54 -0.146 -7.264 -4.055 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.786 -5.898 -4.323 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.128 -7.943 -5.405 1.00 0.00 C ATOM 0 H VAL A 54 1.905 -5.953 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 54 0.843 -6.666 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.828 -7.896 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.668 -6.026 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.077 -5.441 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.069 -5.254 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.797 -8.000 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.864 -7.363 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.512 -8.949 -5.235 1.00 0.00 H new ATOM 819 N GLU A 55 2.683 -8.974 -3.578 1.00 0.00 N ATOM 820 CA GLU A 55 3.360 -10.267 -3.410 1.00 0.00 C ATOM 821 C GLU A 55 4.186 -10.348 -2.113 1.00 0.00 C ATOM 822 O GLU A 55 4.207 -11.395 -1.461 1.00 0.00 O ATOM 823 CB GLU A 55 4.222 -10.554 -4.657 1.00 0.00 C ATOM 824 CG GLU A 55 5.357 -9.541 -4.890 1.00 0.00 C ATOM 825 CD GLU A 55 5.757 -9.420 -6.374 1.00 0.00 C ATOM 826 OE1 GLU A 55 6.093 -10.447 -7.010 1.00 0.00 O ATOM 827 OE2 GLU A 55 5.744 -8.285 -6.907 1.00 0.00 O ATOM 0 H GLU A 55 3.095 -8.411 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 55 2.597 -11.039 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.654 -11.551 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.576 -10.567 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.046 -8.563 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.229 -9.839 -4.307 1.00 0.00 H new ATOM 834 N ALA A 56 4.861 -9.254 -1.734 1.00 0.00 N ATOM 835 CA ALA A 56 5.624 -9.141 -0.491 1.00 0.00 C ATOM 836 C ALA A 56 5.463 -7.754 0.176 1.00 0.00 C ATOM 837 O ALA A 56 6.432 -6.989 0.252 1.00 0.00 O ATOM 838 CB ALA A 56 7.084 -9.504 -0.814 1.00 0.00 C ATOM 0 H ALA A 56 4.890 -8.405 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 56 5.240 -9.835 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.686 -9.431 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.129 -10.523 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.473 -8.816 -1.564 1.00 0.00 H new ATOM 844 N PRO A 57 4.291 -7.424 0.750 1.00 0.00 N ATOM 845 CA PRO A 57 4.051 -6.103 1.340 1.00 0.00 C ATOM 846 C PRO A 57 4.855 -5.888 2.633 1.00 0.00 C ATOM 847 O PRO A 57 5.202 -4.762 2.979 1.00 0.00 O ATOM 848 CB PRO A 57 2.536 -6.035 1.547 1.00 0.00 C ATOM 849 CG PRO A 57 2.127 -7.495 1.734 1.00 0.00 C ATOM 850 CD PRO A 57 3.082 -8.232 0.796 1.00 0.00 C ATOM 0 HA PRO A 57 4.393 -5.295 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.278 -5.433 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.035 -5.586 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.244 -7.819 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.084 -7.662 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.296 -9.235 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.647 -8.343 -0.197 1.00 0.00 H new ATOM 858 N HIS A 58 5.213 -6.974 3.329 1.00 0.00 N ATOM 859 CA HIS A 58 6.067 -6.950 4.523 1.00 0.00 C ATOM 860 C HIS A 58 7.559 -6.765 4.185 1.00 0.00 C ATOM 861 O HIS A 58 8.312 -6.293 5.035 1.00 0.00 O ATOM 862 CB HIS A 58 5.827 -8.234 5.340 1.00 0.00 C ATOM 863 CG HIS A 58 6.129 -9.511 4.588 1.00 0.00 C ATOM 864 ND1 HIS A 58 5.196 -10.361 4.019 1.00 0.00 N ATOM 865 CD2 HIS A 58 7.375 -10.021 4.346 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.872 -11.365 3.420 1.00 0.00 C ATOM 867 NE2 HIS A 58 7.196 -11.177 3.604 1.00 0.00 N ATOM 0 H HIS A 58 4.911 -7.914 3.072 1.00 0.00 H new ATOM 0 HA HIS A 58 5.792 -6.081 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.443 -8.200 6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.787 -8.255 5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.316 -9.603 4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.425 -12.187 2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.939 -11.783 3.256 1.00 0.00 H new ATOM 876 N SER A 59 7.998 -7.089 2.959 1.00 0.00 N ATOM 877 CA SER A 59 9.403 -6.981 2.510 1.00 0.00 C ATOM 878 C SER A 59 9.912 -5.535 2.557 1.00 0.00 C ATOM 879 O SER A 59 11.019 -5.278 3.037 1.00 0.00 O ATOM 880 CB SER A 59 9.558 -7.552 1.093 1.00 0.00 C ATOM 881 OG SER A 59 10.895 -7.476 0.629 1.00 0.00 O ATOM 0 H SER A 59 7.375 -7.442 2.232 1.00 0.00 H new ATOM 0 HA SER A 59 10.010 -7.566 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.231 -8.592 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.907 -7.007 0.410 1.00 0.00 H new ATOM 0 HG SER A 59 10.949 -7.851 -0.275 1.00 0.00 H new ATOM 887 N VAL A 60 9.084 -4.574 2.124 1.00 0.00 N ATOM 888 CA VAL A 60 9.395 -3.132 2.208 1.00 0.00 C ATOM 889 C VAL A 60 9.341 -2.572 3.643 1.00 0.00 C ATOM 890 O VAL A 60 9.773 -1.443 3.878 1.00 0.00 O ATOM 891 CB VAL A 60 8.483 -2.289 1.293 1.00 0.00 C ATOM 892 CG1 VAL A 60 8.619 -2.687 -0.183 1.00 0.00 C ATOM 893 CG2 VAL A 60 7.003 -2.364 1.679 1.00 0.00 C ATOM 0 H VAL A 60 8.176 -4.771 1.704 1.00 0.00 H new ATOM 0 HA VAL A 60 10.425 -3.051 1.862 1.00 0.00 H new ATOM 0 HB VAL A 60 8.827 -1.264 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.959 -2.067 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.650 -2.542 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.345 -3.735 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.417 -1.749 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.663 -3.398 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.874 -1.999 2.698 1.00 0.00 H new ATOM 903 N GLY A 61 8.810 -3.339 4.604 1.00 0.00 N ATOM 904 CA GLY A 61 8.613 -2.932 6.000 1.00 0.00 C ATOM 905 C GLY A 61 7.243 -2.309 6.305 1.00 0.00 C ATOM 906 O GLY A 61 7.096 -1.662 7.342 1.00 0.00 O ATOM 0 H GLY A 61 8.495 -4.292 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.750 -3.804 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.389 -2.215 6.267 1.00 0.00 H new ATOM 910 N LEU A 62 6.241 -2.472 5.429 1.00 0.00 N ATOM 911 CA LEU A 62 4.867 -2.001 5.658 1.00 0.00 C ATOM 912 C LEU A 62 4.206 -2.834 6.776 1.00 0.00 C ATOM 913 O LEU A 62 4.179 -4.066 6.695 1.00 0.00 O ATOM 914 CB LEU A 62 4.053 -2.094 4.345 1.00 0.00 C ATOM 915 CG LEU A 62 2.989 -0.996 4.144 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.045 -1.336 2.983 1.00 0.00 C ATOM 917 CD2 LEU A 62 2.129 -0.750 5.368 1.00 0.00 C ATOM 0 H LEU A 62 6.363 -2.940 4.531 1.00 0.00 H new ATOM 0 HA LEU A 62 4.890 -0.958 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.747 -2.061 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.559 -3.065 4.313 1.00 0.00 H new ATOM 0 HG LEU A 62 3.564 -0.095 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.308 -0.541 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.620 -1.432 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.535 -2.277 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.404 0.035 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.603 -1.667 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.761 -0.441 6.201 1.00 0.00 H new ATOM 929 N ARG A 63 3.670 -2.178 7.815 1.00 0.00 N ATOM 930 CA ARG A 63 2.932 -2.816 8.926 1.00 0.00 C ATOM 931 C ARG A 63 1.639 -2.053 9.245 1.00 0.00 C ATOM 932 O ARG A 63 1.515 -0.869 8.927 1.00 0.00 O ATOM 933 CB ARG A 63 3.832 -2.940 10.181 1.00 0.00 C ATOM 934 CG ARG A 63 5.254 -3.450 9.882 1.00 0.00 C ATOM 935 CD ARG A 63 6.061 -3.794 11.141 1.00 0.00 C ATOM 936 NE ARG A 63 5.637 -5.076 11.742 1.00 0.00 N ATOM 937 CZ ARG A 63 5.938 -6.296 11.327 1.00 0.00 C ATOM 938 NH1 ARG A 63 6.695 -6.512 10.287 1.00 0.00 N ATOM 939 NH2 ARG A 63 5.473 -7.339 11.953 1.00 0.00 N ATOM 0 H ARG A 63 3.737 -1.165 7.913 1.00 0.00 H new ATOM 0 HA ARG A 63 2.651 -3.821 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.900 -1.966 10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.356 -3.616 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.188 -4.336 9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.791 -2.691 9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.120 -3.845 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.946 -2.995 11.874 1.00 0.00 H new ATOM 0 HE ARG A 63 5.045 -5.013 12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.078 -5.725 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.904 -7.468 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.873 -7.219 12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.709 -8.276 11.628 1.00 0.00 H new ATOM 953 N LYS A 64 0.669 -2.715 9.884 1.00 0.00 N ATOM 954 CA LYS A 64 -0.581 -2.083 10.350 1.00 0.00 C ATOM 955 C LYS A 64 -0.279 -1.218 11.577 1.00 0.00 C ATOM 956 O LYS A 64 0.238 -1.727 12.573 1.00 0.00 O ATOM 957 CB LYS A 64 -1.650 -3.151 10.672 1.00 0.00 C ATOM 958 CG LYS A 64 -2.795 -3.114 9.650 1.00 0.00 C ATOM 959 CD LYS A 64 -3.809 -4.251 9.857 1.00 0.00 C ATOM 960 CE LYS A 64 -3.821 -5.206 8.657 1.00 0.00 C ATOM 961 NZ LYS A 64 -4.612 -6.431 8.945 1.00 0.00 N ATOM 0 H LYS A 64 0.724 -3.711 10.096 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.983 -1.450 9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.191 -4.140 10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.047 -2.982 11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.310 -2.156 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.381 -3.180 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.560 -4.804 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.805 -3.832 10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.240 -4.697 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.798 -5.483 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.600 -7.055 8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.197 -6.929 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.593 -6.167 9.165 1.00 0.00 H new ATOM 975 N ALA A 65 -0.578 0.080 11.506 1.00 0.00 N ATOM 976 CA ALA A 65 -0.427 0.986 12.641 1.00 0.00 C ATOM 977 C ALA A 65 -1.588 0.809 13.639 1.00 0.00 C ATOM 978 O ALA A 65 -1.343 0.521 14.811 1.00 0.00 O ATOM 979 CB ALA A 65 -0.296 2.432 12.138 1.00 0.00 C ATOM 0 H ALA A 65 -0.931 0.530 10.661 1.00 0.00 H new ATOM 0 HA ALA A 65 0.487 0.742 13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.184 3.104 12.989 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.578 2.515 11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.189 2.704 11.576 1.00 0.00 H new ATOM 985 N LEU A 66 -2.839 0.971 13.173 1.00 0.00 N ATOM 986 CA LEU A 66 -4.070 0.904 13.983 1.00 0.00 C ATOM 987 C LEU A 66 -5.339 0.860 13.101 1.00 0.00 C ATOM 988 O LEU A 66 -5.990 1.878 12.858 1.00 0.00 O ATOM 989 CB LEU A 66 -4.072 2.082 14.997 1.00 0.00 C ATOM 990 CG LEU A 66 -3.861 1.613 16.451 1.00 0.00 C ATOM 991 CD1 LEU A 66 -3.048 2.644 17.234 1.00 0.00 C ATOM 992 CD2 LEU A 66 -5.203 1.393 17.151 1.00 0.00 C ATOM 0 H LEU A 66 -3.028 1.159 12.188 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.085 -0.029 14.546 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.286 2.788 14.729 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.019 2.617 14.925 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.316 0.670 16.420 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.909 2.296 18.258 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.075 2.776 16.760 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.579 3.596 17.243 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.029 1.063 18.175 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.765 2.327 17.161 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.772 0.633 16.616 1.00 0.00 H new ATOM 1004 N ALA A 67 -5.691 -0.325 12.593 1.00 0.00 N ATOM 1005 CA ALA A 67 -6.893 -0.531 11.776 1.00 0.00 C ATOM 1006 C ALA A 67 -8.216 -0.353 12.574 1.00 0.00 C ATOM 1007 O ALA A 67 -8.221 -0.515 13.801 1.00 0.00 O ATOM 1008 CB ALA A 67 -6.819 -1.927 11.132 1.00 0.00 C ATOM 0 H ALA A 67 -5.146 -1.175 12.738 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.912 0.240 11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.707 -2.094 10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.930 -1.992 10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.768 -2.686 11.913 1.00 0.00 H new ATOM 1014 N PRO A 68 -9.353 -0.082 11.900 1.00 0.00 N ATOM 1015 CA PRO A 68 -10.676 0.005 12.523 1.00 0.00 C ATOM 1016 C PRO A 68 -11.212 -1.376 12.954 1.00 0.00 C ATOM 1017 O PRO A 68 -11.642 -2.177 12.121 1.00 0.00 O ATOM 1018 CB PRO A 68 -11.573 0.676 11.473 1.00 0.00 C ATOM 1019 CG PRO A 68 -10.939 0.276 10.141 1.00 0.00 C ATOM 1020 CD PRO A 68 -9.449 0.214 10.474 1.00 0.00 C ATOM 0 HA PRO A 68 -10.644 0.582 13.447 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.603 0.328 11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.593 1.759 11.597 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.314 -0.685 9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.148 1.006 9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.952 -0.556 9.884 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.960 1.160 10.241 1.00 0.00 H new ATOM 1028 N GLU A 69 -11.183 -1.673 14.258 1.00 0.00 N ATOM 1029 CA GLU A 69 -11.759 -2.908 14.827 1.00 0.00 C ATOM 1030 C GLU A 69 -13.224 -2.740 15.278 1.00 0.00 C ATOM 1031 O GLU A 69 -14.039 -3.642 15.059 1.00 0.00 O ATOM 1032 CB GLU A 69 -10.920 -3.421 16.013 1.00 0.00 C ATOM 1033 CG GLU A 69 -9.732 -4.295 15.576 1.00 0.00 C ATOM 1034 CD GLU A 69 -9.424 -5.396 16.614 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -9.267 -5.091 17.822 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -9.333 -6.589 16.227 1.00 0.00 O ATOM 0 H GLU A 69 -10.758 -1.063 14.957 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.741 -3.639 14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.547 -2.570 16.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.560 -3.996 16.682 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.952 -4.754 14.612 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.851 -3.669 15.437 1.00 0.00 H new ATOM 1043 N GLU A 70 -13.572 -1.611 15.910 1.00 0.00 N ATOM 1044 CA GLU A 70 -14.942 -1.270 16.348 1.00 0.00 C ATOM 1045 C GLU A 70 -15.846 -0.834 15.173 1.00 0.00 C ATOM 1046 O GLU A 70 -16.900 -1.476 14.960 1.00 0.00 O ATOM 1047 CB GLU A 70 -14.879 -0.194 17.449 1.00 0.00 C ATOM 1048 CG GLU A 70 -16.231 0.017 18.153 1.00 0.00 C ATOM 1049 CD GLU A 70 -16.247 1.323 18.978 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -15.679 1.358 20.099 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -16.842 2.333 18.521 1.00 0.00 O ATOM 1052 OXT GLU A 70 -15.500 0.143 14.467 1.00 0.00 O ATOM 0 H GLU A 70 -12.892 -0.886 16.140 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.401 -2.169 16.758 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.130 -0.480 18.188 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.551 0.749 17.011 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.028 0.046 17.410 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.437 -0.830 18.808 1.00 0.00 H new TER 1059 GLU A 70