USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 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 16 LYS NZ :NH3+ -167:sc= -6.95! (180deg=-3.36!) USER MOD Set 1.2: A 47 ASN : amide:sc= -4.52! C(o=-11!,f=-19!) USER MOD Set 2.1: A 10 SER OG : rot 130:sc= -0.531 USER MOD Set 2.2: A 14 LYS NZ :NH3+ -122:sc= -4.83! (180deg=-9.16!) USER MOD Single : A 1 ALA N :NH3+ -147:sc= 0.435 (180deg=-0.362) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0.474 (180deg=0.113) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 29 SER OG : rot -25:sc= 0.359 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= -0.0625 (180deg=-0.737) USER MOD Single : A 41 THR OG1 : rot 150:sc= -1.93 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.968 F(o=-5.1!,f=-0.97) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0767 X(o=-0.077,f=-0.007) USER MOD Single : A 65 SER OG : rot 180:sc= -1.77 USER MOD Single : A 66 THR OG1 : rot 161:sc= -1.14 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.12! C(o=-5.7!,f=-2.1!) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.38 F(o=-2.3!,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ -118:sc= -2.35! (180deg=-9.12!) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.0745 (180deg=-0.518) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0578 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.406 -3.767 7.002 1.00 1.00 N ATOM 2 CA ALA A 1 -9.617 -3.809 5.529 1.00 1.00 C ATOM 3 C ALA A 1 -9.898 -5.251 5.104 1.00 1.00 C ATOM 4 O ALA A 1 -9.882 -6.166 5.925 1.00 1.00 O ATOM 5 CB ALA A 1 -8.363 -3.282 4.824 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.760 -2.864 7.378 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.919 -4.553 7.449 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.391 -3.854 7.210 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.467 -3.184 5.254 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.513 -3.311 3.745 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.174 -2.255 5.137 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.508 -3.905 5.088 1.00 1.00 H new ATOM 13 N LYS A 2 -10.148 -5.441 3.811 1.00 1.00 N ATOM 14 CA LYS A 2 -10.429 -6.770 3.278 1.00 1.00 C ATOM 15 C LYS A 2 -9.130 -7.498 2.952 1.00 1.00 C ATOM 16 O LYS A 2 -8.121 -6.876 2.634 1.00 1.00 O ATOM 17 CB LYS A 2 -11.284 -6.656 2.015 1.00 1.00 C ATOM 18 CG LYS A 2 -12.672 -6.130 2.386 1.00 1.00 C ATOM 19 CD LYS A 2 -13.529 -6.022 1.124 1.00 1.00 C ATOM 20 CE LYS A 2 -14.925 -5.518 1.497 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.755 -5.399 0.265 1.00 1.00 N ATOM 0 H LYS A 2 -10.162 -4.695 3.116 1.00 1.00 H new ATOM 0 HA LYS A 2 -10.973 -7.338 4.033 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.808 -5.985 1.300 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.369 -7.629 1.531 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.146 -6.799 3.105 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.587 -5.155 2.866 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.063 -5.341 0.412 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.600 -6.994 0.635 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.395 -6.205 2.201 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -14.853 -4.551 1.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.704 -5.057 0.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.308 -4.728 -0.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.833 -6.330 -0.192 1.00 1.00 H new ATOM 35 N LYS A 3 -9.166 -8.819 3.038 1.00 1.00 N ATOM 36 CA LYS A 3 -7.982 -9.625 2.757 1.00 1.00 C ATOM 37 C LYS A 3 -7.528 -9.429 1.316 1.00 1.00 C ATOM 38 O LYS A 3 -6.328 -9.410 1.033 1.00 1.00 O ATOM 39 CB LYS A 3 -8.288 -11.101 2.993 1.00 1.00 C ATOM 40 CG LYS A 3 -8.586 -11.333 4.475 1.00 1.00 C ATOM 41 CD LYS A 3 -8.761 -12.832 4.738 1.00 1.00 C ATOM 42 CE LYS A 3 -9.990 -13.357 3.984 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.448 -14.629 4.607 1.00 1.00 N ATOM 0 H LYS A 3 -9.994 -9.355 3.298 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.184 -9.305 3.427 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.141 -11.407 2.388 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.441 -11.713 2.682 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.773 -10.939 5.085 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.490 -10.796 4.763 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.870 -13.372 4.418 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.876 -13.011 5.807 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.790 -12.617 4.011 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.744 -13.521 2.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.281 -14.985 4.096 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.685 -15.334 4.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.699 -14.458 5.602 1.00 1.00 H new ATOM 57 N GLU A 4 -8.485 -9.300 0.408 1.00 1.00 N ATOM 58 CA GLU A 4 -8.165 -9.119 -0.999 1.00 1.00 C ATOM 59 C GLU A 4 -7.313 -7.866 -1.207 1.00 1.00 C ATOM 60 O GLU A 4 -6.305 -7.896 -1.916 1.00 1.00 O ATOM 61 CB GLU A 4 -9.460 -9.002 -1.812 1.00 1.00 C ATOM 62 CG GLU A 4 -10.165 -7.679 -1.483 1.00 1.00 C ATOM 63 CD GLU A 4 -11.609 -7.717 -1.964 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.247 -8.740 -1.779 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.055 -6.722 -2.508 1.00 1.00 O ATOM 0 H GLU A 4 -9.483 -9.317 0.619 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.595 -9.985 -1.337 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.236 -9.050 -2.878 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.118 -9.841 -1.587 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.137 -7.502 -0.408 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.638 -6.851 -1.957 1.00 1.00 H new ATOM 72 N THR A 5 -7.735 -6.761 -0.594 1.00 1.00 N ATOM 73 CA THR A 5 -7.017 -5.503 -0.724 1.00 1.00 C ATOM 74 C THR A 5 -5.674 -5.576 -0.009 1.00 1.00 C ATOM 75 O THR A 5 -4.662 -5.086 -0.509 1.00 1.00 O ATOM 76 CB THR A 5 -7.853 -4.353 -0.149 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.202 -4.516 -0.565 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.326 -3.025 -0.701 1.00 1.00 C ATOM 0 H THR A 5 -8.567 -6.715 -0.006 1.00 1.00 H new ATOM 0 HA THR A 5 -6.839 -5.318 -1.783 1.00 1.00 H new ATOM 0 HB THR A 5 -7.789 -4.356 0.939 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.747 -3.787 -0.202 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.916 -2.203 -0.296 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.283 -2.899 -0.412 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.404 -3.026 -1.788 1.00 1.00 H new ATOM 86 N ILE A 6 -5.675 -6.192 1.167 1.00 1.00 N ATOM 87 CA ILE A 6 -4.455 -6.327 1.948 1.00 1.00 C ATOM 88 C ILE A 6 -3.414 -7.128 1.180 1.00 1.00 C ATOM 89 O ILE A 6 -2.242 -6.753 1.136 1.00 1.00 O ATOM 90 CB ILE A 6 -4.766 -7.032 3.278 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.598 -6.104 4.168 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.461 -7.397 3.992 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.182 -6.904 5.339 1.00 1.00 C ATOM 0 H ILE A 6 -6.503 -6.603 1.598 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.057 -5.332 2.145 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.330 -7.943 3.077 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.977 -5.290 4.544 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.401 -5.650 3.588 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.689 -7.896 4.934 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -2.875 -8.064 3.360 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -2.889 -6.491 4.191 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.774 -6.243 5.972 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.817 -7.702 4.954 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.371 -7.337 5.925 1.00 1.00 H new ATOM 105 N ASP A 7 -3.841 -8.225 0.574 1.00 1.00 N ATOM 106 CA ASP A 7 -2.927 -9.064 -0.185 1.00 1.00 C ATOM 107 C ASP A 7 -2.346 -8.283 -1.355 1.00 1.00 C ATOM 108 O ASP A 7 -1.167 -8.409 -1.679 1.00 1.00 O ATOM 109 CB ASP A 7 -3.666 -10.298 -0.705 1.00 1.00 C ATOM 110 CG ASP A 7 -2.664 -11.356 -1.159 1.00 1.00 C ATOM 111 OD1 ASP A 7 -1.521 -10.999 -1.393 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.054 -12.508 -1.267 1.00 1.00 O ATOM 0 H ASP A 7 -4.807 -8.553 0.592 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.114 -9.379 0.469 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.307 -10.705 0.078 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.315 -10.020 -1.536 1.00 1.00 H new ATOM 117 N LYS A 8 -3.182 -7.483 -1.986 1.00 1.00 N ATOM 118 CA LYS A 8 -2.739 -6.680 -3.123 1.00 1.00 C ATOM 119 C LYS A 8 -1.725 -5.639 -2.688 1.00 1.00 C ATOM 120 O LYS A 8 -0.684 -5.468 -3.320 1.00 1.00 O ATOM 121 CB LYS A 8 -3.939 -5.974 -3.738 1.00 1.00 C ATOM 122 CG LYS A 8 -4.890 -7.000 -4.392 1.00 1.00 C ATOM 123 CD LYS A 8 -4.443 -7.302 -5.839 1.00 1.00 C ATOM 124 CE LYS A 8 -5.060 -6.276 -6.789 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.534 -6.490 -8.160 1.00 1.00 N ATOM 0 H LYS A 8 -4.165 -7.367 -1.739 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.272 -7.342 -3.852 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.472 -5.413 -2.970 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.602 -5.254 -4.484 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.900 -7.920 -3.808 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -5.909 -6.612 -4.393 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.356 -7.270 -5.909 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.751 -8.308 -6.123 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.146 -6.369 -6.786 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.826 -5.266 -6.452 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.040 -5.872 -8.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.519 -6.264 -8.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.674 -7.483 -8.434 1.00 1.00 H new ATOM 139 N VAL A 9 -2.037 -4.929 -1.611 1.00 1.00 N ATOM 140 CA VAL A 9 -1.142 -3.897 -1.118 1.00 1.00 C ATOM 141 C VAL A 9 0.209 -4.494 -0.753 1.00 1.00 C ATOM 142 O VAL A 9 1.255 -3.971 -1.137 1.00 1.00 O ATOM 143 CB VAL A 9 -1.754 -3.218 0.111 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.730 -2.275 0.749 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.986 -2.415 -0.309 1.00 1.00 C ATOM 0 H VAL A 9 -2.893 -5.048 -1.070 1.00 1.00 H new ATOM 0 HA VAL A 9 -0.999 -3.158 -1.906 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.042 -3.982 0.834 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.172 -1.795 1.622 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.149 -2.844 1.053 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.437 -1.513 0.026 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.421 -1.932 0.566 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.695 -1.656 -1.035 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.721 -3.084 -0.757 1.00 1.00 H new ATOM 155 N SER A 10 0.177 -5.594 -0.020 1.00 1.00 N ATOM 156 CA SER A 10 1.407 -6.255 0.386 1.00 1.00 C ATOM 157 C SER A 10 2.188 -6.692 -0.846 1.00 1.00 C ATOM 158 O SER A 10 3.401 -6.539 -0.901 1.00 1.00 O ATOM 159 CB SER A 10 1.087 -7.474 1.260 1.00 1.00 C ATOM 160 OG SER A 10 2.246 -7.846 1.996 1.00 1.00 O ATOM 0 H SER A 10 -0.678 -6.045 0.304 1.00 1.00 H new ATOM 0 HA SER A 10 2.011 -5.556 0.964 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.269 -7.242 1.942 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.756 -8.305 0.637 1.00 1.00 H new ATOM 0 HG SER A 10 2.014 -7.946 2.943 1.00 1.00 H new ATOM 166 N ASP A 11 1.482 -7.237 -1.831 1.00 1.00 N ATOM 167 CA ASP A 11 2.123 -7.698 -3.049 1.00 1.00 C ATOM 168 C ASP A 11 2.780 -6.548 -3.775 1.00 1.00 C ATOM 169 O ASP A 11 3.894 -6.691 -4.266 1.00 1.00 O ATOM 170 CB ASP A 11 1.066 -8.361 -3.959 1.00 1.00 C ATOM 171 CG ASP A 11 0.869 -9.833 -3.589 1.00 1.00 C ATOM 172 OD1 ASP A 11 1.593 -10.318 -2.733 1.00 1.00 O ATOM 173 OD2 ASP A 11 0.003 -10.458 -4.179 1.00 1.00 O ATOM 0 H ASP A 11 0.471 -7.368 -1.807 1.00 1.00 H new ATOM 0 HA ASP A 11 2.895 -8.423 -2.791 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.119 -7.830 -3.869 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.377 -8.283 -5.001 1.00 1.00 H new ATOM 178 N ILE A 12 2.094 -5.420 -3.841 1.00 1.00 N ATOM 179 CA ILE A 12 2.637 -4.270 -4.527 1.00 1.00 C ATOM 180 C ILE A 12 3.992 -3.903 -3.938 1.00 1.00 C ATOM 181 O ILE A 12 4.858 -3.417 -4.653 1.00 1.00 O ATOM 182 CB ILE A 12 1.664 -3.063 -4.405 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.820 -2.925 -5.683 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.431 -1.743 -4.179 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.179 -4.076 -5.767 1.00 1.00 C ATOM 0 H ILE A 12 1.170 -5.280 -3.432 1.00 1.00 H new ATOM 0 HA ILE A 12 2.762 -4.518 -5.581 1.00 1.00 H new ATOM 0 HB ILE A 12 1.019 -3.253 -3.547 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.292 -1.972 -5.680 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.467 -2.928 -6.560 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.722 -0.919 -4.098 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.012 -1.813 -3.260 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.101 -1.563 -5.019 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.775 -3.975 -6.674 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.359 -5.024 -5.790 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.835 -4.053 -4.897 1.00 1.00 H new ATOM 197 N VAL A 13 4.145 -4.086 -2.652 1.00 1.00 N ATOM 198 CA VAL A 13 5.392 -3.746 -1.987 1.00 1.00 C ATOM 199 C VAL A 13 6.476 -4.768 -2.324 1.00 1.00 C ATOM 200 O VAL A 13 7.643 -4.413 -2.509 1.00 1.00 O ATOM 201 CB VAL A 13 5.185 -3.690 -0.481 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.496 -3.295 0.204 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.108 -2.653 -0.155 1.00 1.00 C ATOM 0 H VAL A 13 3.426 -4.468 -2.038 1.00 1.00 H new ATOM 0 HA VAL A 13 5.714 -2.766 -2.340 1.00 1.00 H new ATOM 0 HB VAL A 13 4.870 -4.670 -0.122 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.345 -3.255 1.283 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.264 -4.032 -0.028 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.813 -2.316 -0.154 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.958 -2.611 0.924 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.424 -1.674 -0.516 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.174 -2.934 -0.641 1.00 1.00 H new ATOM 213 N LYS A 14 6.085 -6.035 -2.354 1.00 1.00 N ATOM 214 CA LYS A 14 7.023 -7.110 -2.643 1.00 1.00 C ATOM 215 C LYS A 14 7.578 -7.018 -4.054 1.00 1.00 C ATOM 216 O LYS A 14 8.785 -7.142 -4.272 1.00 1.00 O ATOM 217 CB LYS A 14 6.342 -8.453 -2.476 1.00 1.00 C ATOM 218 CG LYS A 14 5.968 -8.630 -1.007 1.00 1.00 C ATOM 219 CD LYS A 14 5.608 -10.107 -0.705 1.00 1.00 C ATOM 220 CE LYS A 14 6.084 -10.494 0.698 1.00 1.00 C ATOM 221 NZ LYS A 14 5.196 -9.877 1.715 1.00 1.00 N ATOM 0 H LYS A 14 5.128 -6.342 -2.182 1.00 1.00 H new ATOM 0 HA LYS A 14 7.850 -7.011 -1.939 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.451 -8.506 -3.102 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.005 -9.256 -2.797 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.799 -8.317 -0.375 1.00 1.00 H new ATOM 0 HG3 LYS A 14 5.122 -7.987 -0.762 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.530 -10.249 -0.783 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.070 -10.760 -1.446 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.080 -11.578 0.808 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.111 -10.162 0.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.760 -9.277 2.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.475 -9.297 1.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.730 -10.624 2.268 1.00 1.00 H new ATOM 235 N GLU A 15 6.693 -6.813 -5.016 1.00 1.00 N ATOM 236 CA GLU A 15 7.103 -6.727 -6.413 1.00 1.00 C ATOM 237 C GLU A 15 8.209 -5.700 -6.598 1.00 1.00 C ATOM 238 O GLU A 15 8.954 -5.739 -7.574 1.00 1.00 O ATOM 239 CB GLU A 15 5.906 -6.339 -7.290 1.00 1.00 C ATOM 240 CG GLU A 15 5.271 -5.094 -6.744 1.00 1.00 C ATOM 241 CD GLU A 15 4.184 -4.590 -7.701 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.442 -5.413 -8.218 1.00 1.00 O ATOM 243 OE2 GLU A 15 4.108 -3.389 -7.902 1.00 1.00 O ATOM 0 H GLU A 15 5.691 -6.703 -4.859 1.00 1.00 H new ATOM 0 HA GLU A 15 7.479 -7.706 -6.711 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.232 -6.174 -8.317 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.179 -7.151 -7.313 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.838 -5.298 -5.765 1.00 1.00 H new ATOM 0 HG3 GLU A 15 6.028 -4.323 -6.603 1.00 1.00 H new ATOM 250 N LYS A 16 8.294 -4.777 -5.663 1.00 1.00 N ATOM 251 CA LYS A 16 9.299 -3.724 -5.727 1.00 1.00 C ATOM 252 C LYS A 16 10.694 -4.318 -5.644 1.00 1.00 C ATOM 253 O LYS A 16 11.594 -3.894 -6.363 1.00 1.00 O ATOM 254 CB LYS A 16 9.083 -2.725 -4.578 1.00 1.00 C ATOM 255 CG LYS A 16 7.629 -2.295 -4.522 1.00 1.00 C ATOM 256 CD LYS A 16 7.291 -1.333 -5.664 1.00 1.00 C ATOM 257 CE LYS A 16 5.806 -0.991 -5.641 1.00 1.00 C ATOM 258 NZ LYS A 16 5.626 0.366 -6.213 1.00 1.00 N ATOM 0 H LYS A 16 7.682 -4.730 -4.848 1.00 1.00 H new ATOM 0 HA LYS A 16 9.199 -3.202 -6.679 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.371 -3.181 -3.631 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.722 -1.853 -4.720 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.985 -3.173 -4.580 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.426 -1.813 -3.565 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.883 -0.423 -5.570 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.553 -1.786 -6.620 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.240 -1.723 -6.217 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.425 -1.025 -4.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 4.664 0.705 -6.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.320 1.016 -5.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.767 0.330 -7.243 1.00 1.00 H new ATOM 272 N LEU A 17 10.862 -5.316 -4.776 1.00 1.00 N ATOM 273 CA LEU A 17 12.163 -5.983 -4.619 1.00 1.00 C ATOM 274 C LEU A 17 12.055 -7.431 -5.056 1.00 1.00 C ATOM 275 O LEU A 17 13.048 -8.151 -5.054 1.00 1.00 O ATOM 276 CB LEU A 17 12.624 -5.922 -3.150 1.00 1.00 C ATOM 277 CG LEU A 17 11.385 -5.859 -2.218 1.00 1.00 C ATOM 278 CD1 LEU A 17 11.707 -6.534 -0.897 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.990 -4.393 -1.967 1.00 1.00 C ATOM 0 H LEU A 17 10.124 -5.681 -4.174 1.00 1.00 H new ATOM 0 HA LEU A 17 12.895 -5.468 -5.241 1.00 1.00 H new ATOM 0 HB2 LEU A 17 13.227 -6.798 -2.911 1.00 1.00 H new ATOM 0 HB3 LEU A 17 13.255 -5.047 -2.992 1.00 1.00 H new ATOM 0 HG LEU A 17 10.552 -6.375 -2.696 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.836 -6.489 -0.243 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.973 -7.576 -1.076 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.544 -6.023 -0.422 1.00 1.00 H new ATOM 0 HD21 LEU A 17 10.120 -4.358 -1.312 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.821 -3.868 -1.495 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.750 -3.913 -2.916 1.00 1.00 H new ATOM 291 N ALA A 18 10.849 -7.858 -5.424 1.00 1.00 N ATOM 292 CA ALA A 18 10.636 -9.236 -5.862 1.00 1.00 C ATOM 293 C ALA A 18 10.547 -10.189 -4.669 1.00 1.00 C ATOM 294 O ALA A 18 11.496 -10.903 -4.363 1.00 1.00 O ATOM 295 CB ALA A 18 11.776 -9.674 -6.799 1.00 1.00 C ATOM 0 H ALA A 18 10.011 -7.276 -5.428 1.00 1.00 H new ATOM 0 HA ALA A 18 9.689 -9.276 -6.400 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.608 -10.702 -7.120 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.801 -9.021 -7.671 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.727 -9.610 -6.270 1.00 1.00 H new ATOM 301 N LEU A 19 9.403 -10.188 -3.994 1.00 1.00 N ATOM 302 CA LEU A 19 9.194 -11.060 -2.832 1.00 1.00 C ATOM 303 C LEU A 19 7.894 -11.832 -2.967 1.00 1.00 C ATOM 304 O LEU A 19 7.266 -11.834 -4.026 1.00 1.00 O ATOM 305 CB LEU A 19 9.188 -10.204 -1.547 1.00 1.00 C ATOM 306 CG LEU A 19 10.469 -10.437 -0.739 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.714 -10.161 -1.614 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.462 -9.505 0.480 1.00 1.00 C ATOM 0 H LEU A 19 8.605 -9.597 -4.226 1.00 1.00 H new ATOM 0 HA LEU A 19 10.007 -11.784 -2.777 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.102 -9.149 -1.807 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.318 -10.455 -0.940 1.00 1.00 H new ATOM 0 HG LEU A 19 10.508 -11.475 -0.408 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.616 -10.331 -1.027 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.710 -10.830 -2.474 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.694 -9.127 -1.959 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.369 -9.662 1.063 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.420 -8.468 0.145 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.591 -9.722 1.099 1.00 1.00 H new ATOM 320 N GLY A 20 7.510 -12.498 -1.879 1.00 1.00 N ATOM 321 CA GLY A 20 6.283 -13.293 -1.860 1.00 1.00 C ATOM 322 C GLY A 20 6.593 -14.768 -2.060 1.00 1.00 C ATOM 323 O GLY A 20 5.689 -15.600 -2.066 1.00 1.00 O ATOM 0 H GLY A 20 8.029 -12.503 -1.001 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.767 -13.151 -0.911 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.609 -12.949 -2.644 1.00 1.00 H new ATOM 327 N ALA A 21 7.877 -15.089 -2.222 1.00 1.00 N ATOM 328 CA ALA A 21 8.290 -16.476 -2.417 1.00 1.00 C ATOM 329 C ALA A 21 8.559 -17.140 -1.073 1.00 1.00 C ATOM 330 O ALA A 21 7.780 -17.976 -0.621 1.00 1.00 O ATOM 331 CB ALA A 21 9.554 -16.532 -3.276 1.00 1.00 C ATOM 0 H ALA A 21 8.641 -14.414 -2.222 1.00 1.00 H new ATOM 0 HA ALA A 21 7.486 -17.009 -2.924 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.854 -17.571 -3.415 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.354 -16.079 -4.247 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.356 -15.987 -2.779 1.00 1.00 H new ATOM 337 N ASP A 22 9.665 -16.759 -0.439 1.00 1.00 N ATOM 338 CA ASP A 22 10.034 -17.320 0.861 1.00 1.00 C ATOM 339 C ASP A 22 9.610 -16.393 1.991 1.00 1.00 C ATOM 340 O ASP A 22 9.931 -16.635 3.152 1.00 1.00 O ATOM 341 CB ASP A 22 11.543 -17.542 0.924 1.00 1.00 C ATOM 342 CG ASP A 22 12.277 -16.250 0.584 1.00 1.00 C ATOM 343 OD1 ASP A 22 11.618 -15.311 0.168 1.00 1.00 O ATOM 344 OD2 ASP A 22 13.487 -16.221 0.739 1.00 1.00 O ATOM 0 H ASP A 22 10.320 -16.067 -0.801 1.00 1.00 H new ATOM 0 HA ASP A 22 9.519 -18.273 0.979 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.827 -17.880 1.921 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.832 -18.328 0.227 1.00 1.00 H new ATOM 349 N VAL A 23 8.886 -15.329 1.645 1.00 1.00 N ATOM 350 CA VAL A 23 8.420 -14.360 2.640 1.00 1.00 C ATOM 351 C VAL A 23 6.907 -14.440 2.790 1.00 1.00 C ATOM 352 O VAL A 23 6.173 -14.465 1.803 1.00 1.00 O ATOM 353 CB VAL A 23 8.818 -12.947 2.215 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.335 -11.948 3.268 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.345 -12.866 2.086 1.00 1.00 C ATOM 0 H VAL A 23 8.609 -15.115 0.687 1.00 1.00 H new ATOM 0 HA VAL A 23 8.883 -14.595 3.598 1.00 1.00 H new ATOM 0 HB VAL A 23 8.362 -12.709 1.254 1.00 1.00 H new ATOM 0 HG11 VAL A 23 8.617 -10.939 2.968 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.250 -12.010 3.358 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.793 -12.182 4.229 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.632 -11.859 1.783 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.804 -13.100 3.046 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.685 -13.581 1.337 1.00 1.00 H new ATOM 365 N VAL A 24 6.451 -14.496 4.037 1.00 1.00 N ATOM 366 CA VAL A 24 5.023 -14.582 4.317 1.00 1.00 C ATOM 367 C VAL A 24 4.376 -13.208 4.219 1.00 1.00 C ATOM 368 O VAL A 24 4.883 -12.232 4.769 1.00 1.00 O ATOM 369 CB VAL A 24 4.796 -15.154 5.717 1.00 1.00 C ATOM 370 CG1 VAL A 24 3.298 -15.147 6.040 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.324 -16.590 5.774 1.00 1.00 C ATOM 0 H VAL A 24 7.046 -14.483 4.865 1.00 1.00 H new ATOM 0 HA VAL A 24 4.568 -15.241 3.578 1.00 1.00 H new ATOM 0 HB VAL A 24 5.326 -14.542 6.447 1.00 1.00 H new ATOM 0 HG11 VAL A 24 3.139 -15.555 7.038 1.00 1.00 H new ATOM 0 HG12 VAL A 24 2.922 -14.124 6.002 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.766 -15.756 5.310 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.162 -16.998 6.772 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.796 -17.201 5.042 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.390 -16.595 5.549 1.00 1.00 H new ATOM 381 N VAL A 25 3.244 -13.143 3.528 1.00 1.00 N ATOM 382 CA VAL A 25 2.519 -11.883 3.376 1.00 1.00 C ATOM 383 C VAL A 25 1.457 -11.759 4.464 1.00 1.00 C ATOM 384 O VAL A 25 0.636 -12.652 4.652 1.00 1.00 O ATOM 385 CB VAL A 25 1.861 -11.822 1.980 1.00 1.00 C ATOM 386 CG1 VAL A 25 0.704 -10.805 1.985 1.00 1.00 C ATOM 387 CG2 VAL A 25 2.892 -11.404 0.935 1.00 1.00 C ATOM 0 H VAL A 25 2.809 -13.941 3.066 1.00 1.00 H new ATOM 0 HA VAL A 25 3.220 -11.054 3.473 1.00 1.00 H new ATOM 0 HB VAL A 25 1.474 -12.811 1.734 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.247 -10.769 0.996 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -0.043 -11.107 2.720 1.00 1.00 H new ATOM 0 HG13 VAL A 25 1.088 -9.818 2.243 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.419 -11.364 -0.046 1.00 1.00 H new ATOM 0 HG22 VAL A 25 3.288 -10.421 1.188 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.706 -12.129 0.916 1.00 1.00 H new ATOM 397 N THR A 26 1.478 -10.627 5.165 1.00 1.00 N ATOM 398 CA THR A 26 0.513 -10.373 6.233 1.00 1.00 C ATOM 399 C THR A 26 -0.008 -8.945 6.139 1.00 1.00 C ATOM 400 O THR A 26 0.398 -8.178 5.269 1.00 1.00 O ATOM 401 CB THR A 26 1.159 -10.600 7.595 1.00 1.00 C ATOM 402 OG1 THR A 26 1.986 -9.496 7.919 1.00 1.00 O ATOM 403 CG2 THR A 26 1.999 -11.871 7.547 1.00 1.00 C ATOM 0 H THR A 26 2.149 -9.874 5.014 1.00 1.00 H new ATOM 0 HA THR A 26 -0.322 -11.065 6.119 1.00 1.00 H new ATOM 0 HB THR A 26 0.384 -10.703 8.354 1.00 1.00 H new ATOM 0 HG1 THR A 26 2.399 -9.643 8.795 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.463 -12.037 8.519 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.361 -12.720 7.299 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.774 -11.766 6.788 1.00 1.00 H new ATOM 411 N ALA A 27 -0.923 -8.605 7.034 1.00 1.00 N ATOM 412 CA ALA A 27 -1.513 -7.267 7.054 1.00 1.00 C ATOM 413 C ALA A 27 -0.731 -6.345 7.984 1.00 1.00 C ATOM 414 O ALA A 27 -0.907 -5.131 7.955 1.00 1.00 O ATOM 415 CB ALA A 27 -2.967 -7.348 7.529 1.00 1.00 C ATOM 0 H ALA A 27 -1.275 -9.233 7.757 1.00 1.00 H new ATOM 0 HA ALA A 27 -1.476 -6.862 6.043 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.402 -6.349 7.542 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.537 -7.983 6.850 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.999 -7.771 8.533 1.00 1.00 H new ATOM 421 N ASP A 28 0.122 -6.931 8.817 1.00 1.00 N ATOM 422 CA ASP A 28 0.926 -6.150 9.761 1.00 1.00 C ATOM 423 C ASP A 28 2.404 -6.245 9.400 1.00 1.00 C ATOM 424 O ASP A 28 3.275 -5.934 10.213 1.00 1.00 O ATOM 425 CB ASP A 28 0.709 -6.672 11.179 1.00 1.00 C ATOM 426 CG ASP A 28 -0.682 -6.280 11.668 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.302 -5.448 11.024 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.106 -6.817 12.676 1.00 1.00 O ATOM 0 H ASP A 28 0.277 -7.938 8.861 1.00 1.00 H new ATOM 0 HA ASP A 28 0.616 -5.106 9.708 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.819 -7.756 11.198 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.468 -6.263 11.847 1.00 1.00 H new ATOM 433 N SER A 29 2.683 -6.692 8.177 1.00 1.00 N ATOM 434 CA SER A 29 4.058 -6.827 7.723 1.00 1.00 C ATOM 435 C SER A 29 4.692 -5.470 7.469 1.00 1.00 C ATOM 436 O SER A 29 5.900 -5.371 7.254 1.00 1.00 O ATOM 437 CB SER A 29 4.119 -7.665 6.443 1.00 1.00 C ATOM 438 OG SER A 29 5.473 -7.819 6.042 1.00 1.00 O ATOM 0 H SER A 29 1.979 -6.964 7.491 1.00 1.00 H new ATOM 0 HA SER A 29 4.616 -7.329 8.513 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.666 -8.642 6.613 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.547 -7.181 5.651 1.00 1.00 H new ATOM 0 HG SER A 29 6.004 -7.073 6.390 1.00 1.00 H new ATOM 444 N GLU A 30 3.869 -4.433 7.487 1.00 1.00 N ATOM 445 CA GLU A 30 4.356 -3.079 7.257 1.00 1.00 C ATOM 446 C GLU A 30 5.040 -2.981 5.898 1.00 1.00 C ATOM 447 O GLU A 30 6.046 -3.644 5.650 1.00 1.00 O ATOM 448 CB GLU A 30 5.335 -2.677 8.358 1.00 1.00 C ATOM 449 CG GLU A 30 4.649 -2.780 9.720 1.00 1.00 C ATOM 450 CD GLU A 30 5.634 -2.423 10.828 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.774 -2.850 10.740 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.234 -1.731 11.749 1.00 1.00 O ATOM 0 H GLU A 30 2.866 -4.501 7.657 1.00 1.00 H new ATOM 0 HA GLU A 30 3.503 -2.400 7.271 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.212 -3.324 8.332 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.685 -1.658 8.192 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.790 -2.110 9.756 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.271 -3.791 9.870 1.00 1.00 H new ATOM 459 N PHE A 31 4.486 -2.149 5.023 1.00 1.00 N ATOM 460 CA PHE A 31 5.049 -1.976 3.691 1.00 1.00 C ATOM 461 C PHE A 31 6.493 -1.492 3.783 1.00 1.00 C ATOM 462 O PHE A 31 7.369 -1.985 3.071 1.00 1.00 O ATOM 463 CB PHE A 31 4.221 -0.964 2.898 1.00 1.00 C ATOM 464 CG PHE A 31 4.261 0.377 3.588 1.00 1.00 C ATOM 465 CD1 PHE A 31 5.294 1.280 3.300 1.00 1.00 C ATOM 466 CD2 PHE A 31 3.284 0.713 4.534 1.00 1.00 C ATOM 467 CE1 PHE A 31 5.330 2.524 3.933 1.00 1.00 C ATOM 468 CE2 PHE A 31 3.326 1.951 5.163 1.00 1.00 C ATOM 469 CZ PHE A 31 4.352 2.854 4.881 1.00 1.00 C ATOM 0 H PHE A 31 3.655 -1.589 5.210 1.00 1.00 H new ATOM 0 HA PHE A 31 5.028 -2.939 3.180 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.612 -0.874 1.884 1.00 1.00 H new ATOM 0 HB3 PHE A 31 3.191 -1.309 2.813 1.00 1.00 H new ATOM 0 HD1 PHE A 31 6.062 1.013 2.589 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.499 0.011 4.774 1.00 1.00 H new ATOM 0 HE1 PHE A 31 6.110 3.231 3.692 1.00 1.00 H new ATOM 0 HE2 PHE A 31 2.559 2.217 5.875 1.00 1.00 H new ATOM 0 HZ PHE A 31 4.392 3.805 5.392 1.00 1.00 H new ATOM 479 N SER A 32 6.731 -0.521 4.656 1.00 1.00 N ATOM 480 CA SER A 32 8.073 0.025 4.824 1.00 1.00 C ATOM 481 C SER A 32 9.028 -1.056 5.317 1.00 1.00 C ATOM 482 O SER A 32 8.651 -1.909 6.119 1.00 1.00 O ATOM 483 CB SER A 32 8.043 1.174 5.834 1.00 1.00 C ATOM 484 OG SER A 32 8.163 0.645 7.149 1.00 1.00 O ATOM 0 H SER A 32 6.020 -0.098 5.253 1.00 1.00 H new ATOM 0 HA SER A 32 8.421 0.394 3.859 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.857 1.871 5.634 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.113 1.734 5.738 1.00 1.00 H new ATOM 0 HG SER A 32 8.146 1.378 7.799 1.00 1.00 H new ATOM 490 N LYS A 33 10.266 -1.010 4.833 1.00 1.00 N ATOM 491 CA LYS A 33 11.280 -1.993 5.227 1.00 1.00 C ATOM 492 C LYS A 33 12.637 -1.320 5.396 1.00 1.00 C ATOM 493 O LYS A 33 12.923 -0.309 4.758 1.00 1.00 O ATOM 494 CB LYS A 33 11.378 -3.092 4.169 1.00 1.00 C ATOM 495 CG LYS A 33 10.091 -3.920 4.172 1.00 1.00 C ATOM 496 CD LYS A 33 10.190 -5.018 3.112 1.00 1.00 C ATOM 497 CE LYS A 33 8.934 -5.891 3.163 1.00 1.00 C ATOM 498 NZ LYS A 33 7.737 -5.053 2.874 1.00 1.00 N ATOM 0 H LYS A 33 10.594 -0.307 4.170 1.00 1.00 H new ATOM 0 HA LYS A 33 10.985 -2.434 6.180 1.00 1.00 H new ATOM 0 HB2 LYS A 33 11.537 -2.651 3.185 1.00 1.00 H new ATOM 0 HB3 LYS A 33 12.236 -3.733 4.373 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.932 -4.362 5.156 1.00 1.00 H new ATOM 0 HG3 LYS A 33 9.233 -3.279 3.969 1.00 1.00 H new ATOM 0 HD2 LYS A 33 10.297 -4.574 2.122 1.00 1.00 H new ATOM 0 HD3 LYS A 33 11.077 -5.627 3.286 1.00 1.00 H new ATOM 0 HE2 LYS A 33 9.010 -6.699 2.436 1.00 1.00 H new ATOM 0 HE3 LYS A 33 8.839 -6.354 4.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 7.086 -5.579 2.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.254 -4.818 3.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 8.033 -4.176 2.399 1.00 1.00 H new ATOM 512 N LEU A 34 13.467 -1.891 6.262 1.00 1.00 N ATOM 513 CA LEU A 34 14.793 -1.337 6.513 1.00 1.00 C ATOM 514 C LEU A 34 15.752 -1.742 5.401 1.00 1.00 C ATOM 515 O LEU A 34 15.826 -2.911 5.028 1.00 1.00 O ATOM 516 CB LEU A 34 15.320 -1.844 7.856 1.00 1.00 C ATOM 517 CG LEU A 34 14.299 -1.539 8.958 1.00 1.00 C ATOM 518 CD1 LEU A 34 14.820 -2.070 10.297 1.00 1.00 C ATOM 519 CD2 LEU A 34 14.071 -0.019 9.056 1.00 1.00 C ATOM 0 H LEU A 34 13.248 -2.731 6.798 1.00 1.00 H new ATOM 0 HA LEU A 34 14.720 -0.250 6.540 1.00 1.00 H new ATOM 0 HB2 LEU A 34 15.504 -2.917 7.804 1.00 1.00 H new ATOM 0 HB3 LEU A 34 16.273 -1.368 8.087 1.00 1.00 H new ATOM 0 HG LEU A 34 13.354 -2.025 8.717 1.00 1.00 H new ATOM 0 HD11 LEU A 34 14.095 -1.854 11.081 1.00 1.00 H new ATOM 0 HD12 LEU A 34 14.969 -3.148 10.228 1.00 1.00 H new ATOM 0 HD13 LEU A 34 15.768 -1.587 10.536 1.00 1.00 H new ATOM 0 HD21 LEU A 34 13.344 0.190 9.841 1.00 1.00 H new ATOM 0 HD22 LEU A 34 15.013 0.476 9.292 1.00 1.00 H new ATOM 0 HD23 LEU A 34 13.694 0.354 8.104 1.00 1.00 H new ATOM 531 N GLY A 35 16.486 -0.764 4.878 1.00 1.00 N ATOM 532 CA GLY A 35 17.443 -1.026 3.807 1.00 1.00 C ATOM 533 C GLY A 35 17.690 0.230 2.980 1.00 1.00 C ATOM 534 O GLY A 35 17.340 1.336 3.393 1.00 1.00 O ATOM 0 H GLY A 35 16.438 0.210 5.175 1.00 1.00 H new ATOM 0 HA2 GLY A 35 18.383 -1.377 4.232 1.00 1.00 H new ATOM 0 HA3 GLY A 35 17.067 -1.822 3.164 1.00 1.00 H new ATOM 538 N ALA A 36 18.292 0.051 1.809 1.00 1.00 N ATOM 539 CA ALA A 36 18.582 1.176 0.928 1.00 1.00 C ATOM 540 C ALA A 36 17.291 1.873 0.511 1.00 1.00 C ATOM 541 O ALA A 36 17.253 3.096 0.369 1.00 1.00 O ATOM 542 CB ALA A 36 19.324 0.688 -0.316 1.00 1.00 C ATOM 0 H ALA A 36 18.587 -0.857 1.450 1.00 1.00 H new ATOM 0 HA ALA A 36 19.209 1.885 1.469 1.00 1.00 H new ATOM 0 HB1 ALA A 36 19.537 1.535 -0.968 1.00 1.00 H new ATOM 0 HB2 ALA A 36 20.260 0.215 -0.019 1.00 1.00 H new ATOM 0 HB3 ALA A 36 18.705 -0.034 -0.849 1.00 1.00 H new ATOM 548 N ASP A 37 16.236 1.090 0.314 1.00 1.00 N ATOM 549 CA ASP A 37 14.949 1.645 -0.087 1.00 1.00 C ATOM 550 C ASP A 37 14.377 2.527 1.019 1.00 1.00 C ATOM 551 O ASP A 37 14.401 2.159 2.192 1.00 1.00 O ATOM 552 CB ASP A 37 13.967 0.515 -0.398 1.00 1.00 C ATOM 553 CG ASP A 37 12.640 1.094 -0.876 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.485 2.302 -0.811 1.00 1.00 O ATOM 555 OD2 ASP A 37 11.798 0.319 -1.301 1.00 1.00 O ATOM 0 H ASP A 37 16.246 0.076 0.425 1.00 1.00 H new ATOM 0 HA ASP A 37 15.099 2.252 -0.980 1.00 1.00 H new ATOM 0 HB2 ASP A 37 14.384 -0.140 -1.163 1.00 1.00 H new ATOM 0 HB3 ASP A 37 13.808 -0.095 0.491 1.00 1.00 H new ATOM 560 N SER A 38 13.861 3.691 0.634 1.00 1.00 N ATOM 561 CA SER A 38 13.282 4.619 1.602 1.00 1.00 C ATOM 562 C SER A 38 12.244 5.510 0.931 1.00 1.00 C ATOM 563 O SER A 38 12.332 5.793 -0.263 1.00 1.00 O ATOM 564 CB SER A 38 14.385 5.486 2.214 1.00 1.00 C ATOM 0 H SER A 38 13.832 4.013 -0.333 1.00 1.00 H new ATOM 0 HA SER A 38 12.795 4.042 2.388 1.00 1.00 H new ATOM 569 N LEU A 39 11.259 5.951 1.707 1.00 1.00 N ATOM 570 CA LEU A 39 10.210 6.812 1.172 1.00 1.00 C ATOM 571 C LEU A 39 9.527 6.146 -0.015 1.00 1.00 C ATOM 572 O LEU A 39 8.720 5.232 0.158 1.00 1.00 O ATOM 573 CB LEU A 39 10.808 8.156 0.746 1.00 1.00 C ATOM 574 CG LEU A 39 11.519 8.806 1.936 1.00 1.00 C ATOM 575 CD1 LEU A 39 12.189 10.104 1.475 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.503 9.116 3.055 1.00 1.00 C ATOM 0 H LEU A 39 11.165 5.729 2.698 1.00 1.00 H new ATOM 0 HA LEU A 39 9.466 6.981 1.950 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.511 8.008 -0.074 1.00 1.00 H new ATOM 0 HB3 LEU A 39 10.021 8.814 0.377 1.00 1.00 H new ATOM 0 HG LEU A 39 12.272 8.120 2.324 1.00 1.00 H new ATOM 0 HD11 LEU A 39 12.697 10.571 2.319 1.00 1.00 H new ATOM 0 HD12 LEU A 39 12.915 9.881 0.693 1.00 1.00 H new ATOM 0 HD13 LEU A 39 11.433 10.785 1.085 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.019 9.578 3.897 1.00 1.00 H new ATOM 0 HD22 LEU A 39 9.742 9.799 2.677 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.030 8.191 3.383 1.00 1.00 H new ATOM 588 N ASP A 40 9.850 6.611 -1.216 1.00 1.00 N ATOM 589 CA ASP A 40 9.265 6.058 -2.426 1.00 1.00 C ATOM 590 C ASP A 40 7.742 6.109 -2.356 1.00 1.00 C ATOM 591 O ASP A 40 7.057 5.274 -2.941 1.00 1.00 O ATOM 592 CB ASP A 40 9.727 4.611 -2.606 1.00 1.00 C ATOM 593 CG ASP A 40 11.198 4.577 -3.010 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.699 5.603 -3.442 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.802 3.525 -2.883 1.00 1.00 O ATOM 0 H ASP A 40 10.514 7.369 -1.375 1.00 1.00 H new ATOM 0 HA ASP A 40 9.594 6.654 -3.278 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.584 4.057 -1.678 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.121 4.120 -3.367 1.00 1.00 H new ATOM 600 N THR A 41 7.221 7.099 -1.643 1.00 1.00 N ATOM 601 CA THR A 41 5.776 7.251 -1.507 1.00 1.00 C ATOM 602 C THR A 41 5.136 7.492 -2.869 1.00 1.00 C ATOM 603 O THR A 41 4.094 6.917 -3.181 1.00 1.00 O ATOM 604 CB THR A 41 5.455 8.421 -0.575 1.00 1.00 C ATOM 605 OG1 THR A 41 5.984 8.152 0.715 1.00 1.00 O ATOM 606 CG2 THR A 41 3.937 8.600 -0.484 1.00 1.00 C ATOM 0 H THR A 41 7.771 7.804 -1.153 1.00 1.00 H new ATOM 0 HA THR A 41 5.371 6.332 -1.083 1.00 1.00 H new ATOM 0 HB THR A 41 5.901 9.335 -0.967 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.222 8.996 1.153 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.708 9.434 0.180 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.535 8.805 -1.476 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.486 7.689 -0.091 1.00 1.00 H new ATOM 614 N VAL A 42 5.765 8.349 -3.667 1.00 1.00 N ATOM 615 CA VAL A 42 5.257 8.667 -4.996 1.00 1.00 C ATOM 616 C VAL A 42 5.252 7.421 -5.873 1.00 1.00 C ATOM 617 O VAL A 42 4.357 7.237 -6.690 1.00 1.00 O ATOM 618 CB VAL A 42 6.108 9.755 -5.645 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.600 10.021 -7.065 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.008 11.038 -4.819 1.00 1.00 C ATOM 0 H VAL A 42 6.626 8.835 -3.417 1.00 1.00 H new ATOM 0 HA VAL A 42 4.235 9.033 -4.895 1.00 1.00 H new ATOM 0 HB VAL A 42 7.147 9.429 -5.687 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.207 10.798 -7.529 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.669 9.106 -7.654 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.561 10.348 -7.024 1.00 1.00 H new ATOM 0 HG21 VAL A 42 6.615 11.816 -5.281 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.969 11.365 -4.778 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.369 10.849 -3.808 1.00 1.00 H new ATOM 630 N GLU A 43 6.266 6.590 -5.722 1.00 1.00 N ATOM 631 CA GLU A 43 6.362 5.362 -6.505 1.00 1.00 C ATOM 632 C GLU A 43 5.371 4.312 -6.011 1.00 1.00 C ATOM 633 O GLU A 43 4.660 3.688 -6.802 1.00 1.00 O ATOM 634 CB GLU A 43 7.779 4.807 -6.429 1.00 1.00 C ATOM 635 CG GLU A 43 8.734 5.752 -7.158 1.00 1.00 C ATOM 636 CD GLU A 43 10.172 5.280 -6.981 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.367 4.283 -6.304 1.00 1.00 O ATOM 638 OE2 GLU A 43 11.054 5.918 -7.527 1.00 1.00 O ATOM 0 H GLU A 43 7.035 6.738 -5.068 1.00 1.00 H new ATOM 0 HA GLU A 43 6.118 5.602 -7.540 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.083 4.697 -5.388 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.817 3.815 -6.879 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.483 5.789 -8.218 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.624 6.764 -6.769 1.00 1.00 H new ATOM 645 N ILE A 44 5.354 4.094 -4.701 1.00 1.00 N ATOM 646 CA ILE A 44 4.466 3.095 -4.111 1.00 1.00 C ATOM 647 C ILE A 44 3.006 3.463 -4.294 1.00 1.00 C ATOM 648 O ILE A 44 2.187 2.615 -4.652 1.00 1.00 O ATOM 649 CB ILE A 44 4.770 2.957 -2.610 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.165 2.333 -2.414 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.725 2.062 -1.942 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.227 0.910 -2.992 1.00 1.00 C ATOM 0 H ILE A 44 5.940 4.591 -4.030 1.00 1.00 H new ATOM 0 HA ILE A 44 4.644 2.149 -4.622 1.00 1.00 H new ATOM 0 HB ILE A 44 4.743 3.948 -2.156 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.916 2.957 -2.898 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.408 2.307 -1.352 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.950 1.971 -0.879 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.736 2.502 -2.067 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.744 1.074 -2.403 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.224 0.498 -2.838 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.492 0.281 -2.489 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.008 0.941 -4.059 1.00 1.00 H new ATOM 664 N VAL A 45 2.678 4.715 -4.035 1.00 1.00 N ATOM 665 CA VAL A 45 1.300 5.165 -4.156 1.00 1.00 C ATOM 666 C VAL A 45 0.807 4.980 -5.587 1.00 1.00 C ATOM 667 O VAL A 45 -0.343 4.606 -5.814 1.00 1.00 O ATOM 668 CB VAL A 45 1.199 6.641 -3.759 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.854 7.511 -4.822 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.268 7.030 -3.612 1.00 1.00 C ATOM 0 H VAL A 45 3.339 5.435 -3.742 1.00 1.00 H new ATOM 0 HA VAL A 45 0.676 4.569 -3.490 1.00 1.00 H new ATOM 0 HB VAL A 45 1.712 6.792 -2.809 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.778 8.559 -4.532 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.904 7.237 -4.920 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.349 7.361 -5.776 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.339 8.080 -3.329 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.783 6.873 -4.560 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.732 6.415 -2.841 1.00 1.00 H new ATOM 680 N MET A 46 1.685 5.246 -6.546 1.00 1.00 N ATOM 681 CA MET A 46 1.319 5.109 -7.948 1.00 1.00 C ATOM 682 C MET A 46 0.930 3.664 -8.258 1.00 1.00 C ATOM 683 O MET A 46 -0.024 3.416 -8.991 1.00 1.00 O ATOM 684 CB MET A 46 2.501 5.540 -8.847 1.00 1.00 C ATOM 685 CG MET A 46 1.984 6.230 -10.107 1.00 1.00 C ATOM 686 SD MET A 46 0.802 5.135 -10.942 1.00 1.00 S ATOM 687 CE MET A 46 -0.602 6.276 -10.988 1.00 1.00 C ATOM 0 H MET A 46 2.643 5.554 -6.381 1.00 1.00 H new ATOM 0 HA MET A 46 0.463 5.753 -8.149 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.157 6.215 -8.298 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.096 4.668 -9.120 1.00 1.00 H new ATOM 0 HG2 MET A 46 1.504 7.174 -9.849 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.813 6.466 -10.774 1.00 1.00 H new ATOM 0 HE1 MET A 46 -1.450 5.790 -11.471 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.876 6.557 -9.971 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.327 7.169 -11.550 1.00 1.00 H new ATOM 697 N ASN A 47 1.681 2.719 -7.698 1.00 1.00 N ATOM 698 CA ASN A 47 1.406 1.309 -7.926 1.00 1.00 C ATOM 699 C ASN A 47 0.023 0.952 -7.400 1.00 1.00 C ATOM 700 O ASN A 47 -0.742 0.258 -8.067 1.00 1.00 O ATOM 701 CB ASN A 47 2.488 0.465 -7.220 1.00 1.00 C ATOM 702 CG ASN A 47 3.722 0.345 -8.101 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.540 1.264 -8.163 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.901 -0.745 -8.794 1.00 1.00 N ATOM 0 H ASN A 47 2.478 2.905 -7.089 1.00 1.00 H new ATOM 0 HA ASN A 47 1.427 1.100 -8.996 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.755 0.926 -6.269 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.096 -0.527 -6.995 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.722 -0.840 -9.392 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.220 -1.502 -8.738 1.00 1.00 H new ATOM 711 N LEU A 48 -0.298 1.441 -6.211 1.00 1.00 N ATOM 712 CA LEU A 48 -1.600 1.169 -5.613 1.00 1.00 C ATOM 713 C LEU A 48 -2.702 1.870 -6.395 1.00 1.00 C ATOM 714 O LEU A 48 -3.765 1.298 -6.630 1.00 1.00 O ATOM 715 CB LEU A 48 -1.614 1.654 -4.162 1.00 1.00 C ATOM 716 CG LEU A 48 -0.593 0.847 -3.352 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.337 1.539 -2.017 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.110 -0.577 -3.089 1.00 1.00 C ATOM 0 H LEU A 48 0.318 2.023 -5.644 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.778 0.094 -5.640 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.373 2.716 -4.119 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.610 1.535 -3.736 1.00 1.00 H new ATOM 0 HG LEU A 48 0.332 0.787 -3.926 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.389 0.964 -1.442 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.053 2.541 -2.195 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.270 1.607 -1.458 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.370 -1.132 -2.513 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.044 -0.527 -2.529 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.284 -1.082 -4.039 1.00 1.00 H new ATOM 730 N GLU A 49 -2.439 3.110 -6.783 1.00 1.00 N ATOM 731 CA GLU A 49 -3.411 3.893 -7.529 1.00 1.00 C ATOM 732 C GLU A 49 -3.611 3.298 -8.916 1.00 1.00 C ATOM 733 O GLU A 49 -4.723 3.292 -9.435 1.00 1.00 O ATOM 734 CB GLU A 49 -2.932 5.337 -7.668 1.00 1.00 C ATOM 735 CG GLU A 49 -4.078 6.209 -8.191 1.00 1.00 C ATOM 736 CD GLU A 49 -3.605 7.646 -8.375 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.528 7.960 -7.893 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.329 8.413 -8.986 1.00 1.00 O ATOM 0 H GLU A 49 -1.561 3.594 -6.593 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.356 3.875 -6.986 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.587 5.711 -6.704 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.084 5.386 -8.351 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.441 5.814 -9.140 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.914 6.180 -7.492 1.00 1.00 H new ATOM 745 N GLU A 50 -2.528 2.821 -9.518 1.00 1.00 N ATOM 746 CA GLU A 50 -2.599 2.237 -10.856 1.00 1.00 C ATOM 747 C GLU A 50 -3.396 0.938 -10.846 1.00 1.00 C ATOM 748 O GLU A 50 -4.316 0.762 -11.648 1.00 1.00 O ATOM 749 CB GLU A 50 -1.190 1.966 -11.381 1.00 1.00 C ATOM 750 CG GLU A 50 -1.265 1.429 -12.813 1.00 1.00 C ATOM 751 CD GLU A 50 0.138 1.246 -13.379 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.064 1.790 -12.801 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.263 0.565 -14.383 1.00 1.00 O ATOM 0 H GLU A 50 -1.595 2.826 -9.106 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.105 2.948 -11.509 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.600 2.882 -11.357 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.685 1.245 -10.738 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.797 0.478 -12.825 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.831 2.119 -13.439 1.00 1.00 H new ATOM 760 N GLU A 51 -3.033 0.031 -9.950 1.00 1.00 N ATOM 761 CA GLU A 51 -3.720 -1.248 -9.866 1.00 1.00 C ATOM 762 C GLU A 51 -5.204 -1.049 -9.585 1.00 1.00 C ATOM 763 O GLU A 51 -6.058 -1.541 -10.325 1.00 1.00 O ATOM 764 CB GLU A 51 -3.104 -2.094 -8.751 1.00 1.00 C ATOM 765 CG GLU A 51 -3.686 -3.511 -8.789 1.00 1.00 C ATOM 766 CD GLU A 51 -5.118 -3.503 -8.266 1.00 1.00 C ATOM 767 OE1 GLU A 51 -5.389 -2.743 -7.350 1.00 1.00 O ATOM 768 OE2 GLU A 51 -5.923 -4.257 -8.787 1.00 1.00 O ATOM 0 H GLU A 51 -2.275 0.155 -9.278 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.609 -1.759 -10.823 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -2.021 -2.133 -8.868 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.303 -1.636 -7.782 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -3.665 -3.894 -9.809 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -3.074 -4.180 -8.185 1.00 1.00 H new ATOM 775 N PHE A 52 -5.507 -0.345 -8.500 1.00 1.00 N ATOM 776 CA PHE A 52 -6.896 -0.112 -8.127 1.00 1.00 C ATOM 777 C PHE A 52 -7.512 0.986 -8.987 1.00 1.00 C ATOM 778 O PHE A 52 -8.723 1.212 -8.947 1.00 1.00 O ATOM 779 CB PHE A 52 -6.977 0.276 -6.647 1.00 1.00 C ATOM 780 CG PHE A 52 -6.727 -0.948 -5.792 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.634 -2.022 -5.818 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.599 -1.008 -4.963 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.406 -3.146 -5.025 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.378 -2.140 -4.175 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.288 -3.199 -4.204 1.00 1.00 C ATOM 0 H PHE A 52 -4.819 0.069 -7.871 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.457 -1.032 -8.292 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.241 1.047 -6.421 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.958 0.696 -6.423 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.507 -1.976 -6.452 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.903 -0.182 -4.933 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.098 -3.974 -5.050 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.504 -2.196 -3.544 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.120 -4.066 -3.583 1.00 1.00 H new ATOM 795 N GLY A 53 -6.677 1.649 -9.775 1.00 1.00 N ATOM 796 CA GLY A 53 -7.160 2.711 -10.653 1.00 1.00 C ATOM 797 C GLY A 53 -8.017 3.707 -9.883 1.00 1.00 C ATOM 798 O GLY A 53 -9.086 4.095 -10.343 1.00 1.00 O ATOM 0 H GLY A 53 -5.673 1.475 -9.826 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.313 3.227 -11.105 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.741 2.279 -11.467 1.00 1.00 H new ATOM 802 N ILE A 54 -7.543 4.116 -8.706 1.00 1.00 N ATOM 803 CA ILE A 54 -8.278 5.075 -7.877 1.00 1.00 C ATOM 804 C ILE A 54 -7.603 6.436 -7.922 1.00 1.00 C ATOM 805 O ILE A 54 -6.744 6.678 -8.767 1.00 1.00 O ATOM 806 CB ILE A 54 -8.344 4.569 -6.436 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.938 4.167 -5.970 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.284 3.367 -6.366 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.962 3.797 -4.484 1.00 1.00 C ATOM 0 H ILE A 54 -6.659 3.801 -8.306 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.291 5.176 -8.267 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.722 5.357 -5.785 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.580 3.322 -6.557 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.242 4.989 -6.137 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.334 3.003 -5.340 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.280 3.664 -6.694 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.910 2.574 -7.014 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.960 3.513 -4.163 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.301 4.654 -3.901 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.643 2.960 -4.328 1.00 1.00 H new ATOM 821 N ASN A 55 -8.000 7.321 -7.013 1.00 1.00 N ATOM 822 CA ASN A 55 -7.430 8.670 -6.948 1.00 1.00 C ATOM 823 C ASN A 55 -6.880 8.937 -5.555 1.00 1.00 C ATOM 824 O ASN A 55 -7.620 9.318 -4.653 1.00 1.00 O ATOM 825 CB ASN A 55 -8.502 9.706 -7.285 1.00 1.00 C ATOM 826 CG ASN A 55 -9.805 9.367 -6.568 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.784 8.575 -5.531 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -10.871 9.836 -6.966 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.714 7.132 -6.310 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.619 8.744 -7.672 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.164 10.699 -6.990 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.667 9.732 -8.362 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.885 10.455 -7.777 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -11.741 9.606 -6.485 1.00 1.00 H new ATOM 835 N VAL A 56 -5.576 8.733 -5.388 1.00 1.00 N ATOM 836 CA VAL A 56 -4.931 8.954 -4.094 1.00 1.00 C ATOM 837 C VAL A 56 -4.173 10.275 -4.098 1.00 1.00 C ATOM 838 O VAL A 56 -3.363 10.538 -4.984 1.00 1.00 O ATOM 839 CB VAL A 56 -3.958 7.805 -3.792 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.655 7.781 -2.290 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.587 6.459 -4.230 1.00 1.00 C ATOM 0 H VAL A 56 -4.947 8.417 -6.126 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.701 8.990 -3.323 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.030 7.955 -4.344 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.964 6.967 -2.071 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.204 8.728 -1.995 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.581 7.631 -1.734 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.894 5.646 -4.014 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.517 6.297 -3.685 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.794 6.485 -5.300 1.00 1.00 H new ATOM 851 N ASP A 57 -4.444 11.102 -3.094 1.00 1.00 N ATOM 852 CA ASP A 57 -3.780 12.395 -2.979 1.00 1.00 C ATOM 853 C ASP A 57 -2.424 12.238 -2.299 1.00 1.00 C ATOM 854 O ASP A 57 -2.273 11.449 -1.367 1.00 1.00 O ATOM 855 CB ASP A 57 -4.650 13.361 -2.178 1.00 1.00 C ATOM 856 CG ASP A 57 -5.880 13.750 -2.991 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.884 13.490 -4.184 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.800 14.304 -2.411 1.00 1.00 O ATOM 0 H ASP A 57 -5.115 10.902 -2.352 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.627 12.796 -3.981 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -4.955 12.897 -1.240 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.077 14.252 -1.921 1.00 1.00 H new ATOM 863 N GLU A 58 -1.446 12.996 -2.769 1.00 1.00 N ATOM 864 CA GLU A 58 -0.104 12.939 -2.199 1.00 1.00 C ATOM 865 C GLU A 58 -0.146 13.219 -0.704 1.00 1.00 C ATOM 866 O GLU A 58 0.785 12.876 0.024 1.00 1.00 O ATOM 867 CB GLU A 58 0.805 13.961 -2.886 1.00 1.00 C ATOM 868 CG GLU A 58 1.077 13.520 -4.325 1.00 1.00 C ATOM 869 CD GLU A 58 1.916 14.573 -5.043 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.216 15.584 -4.430 1.00 1.00 O ATOM 871 OE2 GLU A 58 2.248 14.349 -6.196 1.00 1.00 O ATOM 0 H GLU A 58 -1.552 13.656 -3.540 1.00 1.00 H new ATOM 0 HA GLU A 58 0.294 11.937 -2.360 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.334 14.944 -2.879 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.744 14.053 -2.340 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.599 12.563 -4.328 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.135 13.371 -4.853 1.00 1.00 H new ATOM 878 N ASP A 59 -1.226 13.846 -0.252 1.00 1.00 N ATOM 879 CA ASP A 59 -1.377 14.168 1.164 1.00 1.00 C ATOM 880 C ASP A 59 -2.025 13.016 1.913 1.00 1.00 C ATOM 881 O ASP A 59 -1.879 12.886 3.128 1.00 1.00 O ATOM 882 CB ASP A 59 -2.233 15.427 1.321 1.00 1.00 C ATOM 883 CG ASP A 59 -1.465 16.647 0.818 1.00 1.00 C ATOM 884 OD1 ASP A 59 -0.285 16.507 0.540 1.00 1.00 O ATOM 885 OD2 ASP A 59 -2.067 17.703 0.723 1.00 1.00 O ATOM 0 H ASP A 59 -2.006 14.140 -0.840 1.00 1.00 H new ATOM 0 HA ASP A 59 -0.387 14.343 1.584 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.163 15.317 0.763 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -2.504 15.564 2.368 1.00 1.00 H new ATOM 890 N LYS A 60 -2.743 12.183 1.180 1.00 1.00 N ATOM 891 CA LYS A 60 -3.416 11.045 1.784 1.00 1.00 C ATOM 892 C LYS A 60 -2.432 9.924 2.056 1.00 1.00 C ATOM 893 O LYS A 60 -2.485 9.283 3.099 1.00 1.00 O ATOM 894 CB LYS A 60 -4.537 10.536 0.865 1.00 1.00 C ATOM 895 CG LYS A 60 -5.321 9.402 1.550 1.00 1.00 C ATOM 896 CD LYS A 60 -6.137 9.959 2.731 1.00 1.00 C ATOM 897 CE LYS A 60 -7.223 8.968 3.114 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.043 9.543 4.215 1.00 1.00 N ATOM 0 H LYS A 60 -2.875 12.271 0.172 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.849 11.371 2.730 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.212 11.355 0.617 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.112 10.178 -0.073 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.987 8.924 0.831 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.632 8.635 1.904 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.483 10.144 3.583 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.583 10.915 2.459 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.853 8.749 2.252 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.777 8.025 3.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.788 8.868 4.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.436 9.731 5.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.478 10.432 3.896 1.00 1.00 H new ATOM 912 N ALA A 61 -1.541 9.692 1.110 1.00 1.00 N ATOM 913 CA ALA A 61 -0.541 8.629 1.244 1.00 1.00 C ATOM 914 C ALA A 61 0.722 9.179 1.886 1.00 1.00 C ATOM 915 O ALA A 61 1.818 8.687 1.627 1.00 1.00 O ATOM 916 CB ALA A 61 -0.210 8.047 -0.130 1.00 1.00 C ATOM 0 H ALA A 61 -1.483 10.220 0.239 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.948 7.841 1.877 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.534 7.258 -0.021 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.114 7.634 -0.578 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.187 8.833 -0.772 1.00 1.00 H new ATOM 922 N GLN A 62 0.562 10.206 2.706 1.00 1.00 N ATOM 923 CA GLN A 62 1.703 10.819 3.361 1.00 1.00 C ATOM 924 C GLN A 62 2.301 9.900 4.403 1.00 1.00 C ATOM 925 O GLN A 62 3.407 9.393 4.232 1.00 1.00 O ATOM 926 CB GLN A 62 1.265 12.147 4.028 1.00 1.00 C ATOM 927 CG GLN A 62 1.836 13.313 3.259 1.00 1.00 C ATOM 928 CD GLN A 62 1.355 14.636 3.855 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.150 14.879 3.941 1.00 1.00 O ATOM 930 NE2 GLN A 62 2.229 15.517 4.269 1.00 1.00 N ATOM 0 H GLN A 62 -0.339 10.628 2.931 1.00 1.00 H new ATOM 0 HA GLN A 62 2.464 11.014 2.606 1.00 1.00 H new ATOM 0 HB2 GLN A 62 0.177 12.212 4.052 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.609 12.177 5.062 1.00 1.00 H new ATOM 0 HG2 GLN A 62 2.925 13.272 3.281 1.00 1.00 H new ATOM 0 HG3 GLN A 62 1.536 13.248 2.213 1.00 1.00 H new ATOM 0 HE21 GLN A 62 3.227 15.317 4.199 1.00 1.00 H new ATOM 0 HE22 GLN A 62 1.913 16.403 4.662 1.00 1.00 H new ATOM 939 N ASP A 63 1.580 9.723 5.498 1.00 1.00 N ATOM 940 CA ASP A 63 2.060 8.888 6.598 1.00 1.00 C ATOM 941 C ASP A 63 1.051 7.803 6.944 1.00 1.00 C ATOM 942 O ASP A 63 0.360 7.881 7.957 1.00 1.00 O ATOM 943 CB ASP A 63 2.316 9.752 7.823 1.00 1.00 C ATOM 944 CG ASP A 63 3.027 8.929 8.904 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.885 7.713 8.882 1.00 1.00 O ATOM 946 OD2 ASP A 63 3.692 9.518 9.736 1.00 1.00 O ATOM 0 H ASP A 63 0.663 10.142 5.653 1.00 1.00 H new ATOM 0 HA ASP A 63 2.986 8.408 6.282 1.00 1.00 H new ATOM 0 HB2 ASP A 63 2.926 10.613 7.550 1.00 1.00 H new ATOM 0 HB3 ASP A 63 1.373 10.138 8.210 1.00 1.00 H new ATOM 951 N ILE A 64 0.976 6.792 6.095 1.00 1.00 N ATOM 952 CA ILE A 64 0.051 5.679 6.311 1.00 1.00 C ATOM 953 C ILE A 64 0.711 4.582 7.135 1.00 1.00 C ATOM 954 O ILE A 64 1.845 4.189 6.870 1.00 1.00 O ATOM 955 CB ILE A 64 -0.410 5.104 4.969 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.024 6.231 4.119 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.462 3.980 5.206 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.199 6.890 4.857 1.00 1.00 C ATOM 0 H ILE A 64 1.541 6.714 5.249 1.00 1.00 H new ATOM 0 HA ILE A 64 -0.813 6.058 6.857 1.00 1.00 H new ATOM 0 HB ILE A 64 0.444 4.678 4.443 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.264 6.979 3.894 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.367 5.829 3.166 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.785 3.576 4.247 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.016 3.185 5.803 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.322 4.392 5.734 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -2.618 7.684 4.238 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -2.967 6.143 5.059 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -1.847 7.312 5.799 1.00 1.00 H new ATOM 970 N SER A 65 -0.016 4.101 8.137 1.00 1.00 N ATOM 971 CA SER A 65 0.493 3.043 9.002 1.00 1.00 C ATOM 972 C SER A 65 0.713 1.779 8.197 1.00 1.00 C ATOM 973 O SER A 65 0.661 1.811 6.976 1.00 1.00 O ATOM 974 CB SER A 65 -0.492 2.762 10.151 1.00 1.00 C ATOM 975 OG SER A 65 -1.131 1.510 9.941 1.00 1.00 O ATOM 0 H SER A 65 -0.955 4.425 8.370 1.00 1.00 H new ATOM 0 HA SER A 65 1.442 3.371 9.427 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.038 2.755 11.103 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.237 3.556 10.206 1.00 1.00 H new ATOM 0 HG SER A 65 -1.756 1.334 10.675 1.00 1.00 H new ATOM 981 N THR A 66 0.983 0.677 8.896 1.00 1.00 N ATOM 982 CA THR A 66 1.223 -0.602 8.242 1.00 1.00 C ATOM 983 C THR A 66 0.210 -0.855 7.119 1.00 1.00 C ATOM 984 O THR A 66 -0.597 0.005 6.769 1.00 1.00 O ATOM 985 CB THR A 66 1.157 -1.737 9.279 1.00 1.00 C ATOM 986 OG1 THR A 66 1.822 -2.884 8.762 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.292 -2.103 9.574 1.00 1.00 C ATOM 0 H THR A 66 1.040 0.648 9.914 1.00 1.00 H new ATOM 0 HA THR A 66 2.217 -0.574 7.795 1.00 1.00 H new ATOM 0 HB THR A 66 1.637 -1.401 10.198 1.00 1.00 H new ATOM 0 HG1 THR A 66 2.053 -3.488 9.498 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.322 -2.907 10.309 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.814 -1.231 9.968 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.778 -2.433 8.656 1.00 1.00 H new ATOM 995 N ILE A 67 0.257 -2.047 6.548 1.00 1.00 N ATOM 996 CA ILE A 67 -0.645 -2.384 5.459 1.00 1.00 C ATOM 997 C ILE A 67 -2.099 -2.282 5.910 1.00 1.00 C ATOM 998 O ILE A 67 -2.947 -1.765 5.185 1.00 1.00 O ATOM 999 CB ILE A 67 -0.362 -3.807 4.969 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.041 -3.853 4.356 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.388 -4.186 3.899 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.482 -5.311 4.207 1.00 1.00 C ATOM 0 H ILE A 67 0.902 -2.790 6.816 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.479 -1.677 4.646 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.427 -4.505 5.804 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.042 -3.360 3.384 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.744 -3.311 4.989 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.190 -5.199 3.547 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.391 -4.139 4.324 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.315 -3.491 3.063 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.480 -5.346 3.771 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.497 -5.789 5.187 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.783 -5.838 3.557 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.385 -2.785 7.103 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.749 -2.747 7.630 1.00 1.00 C ATOM 1016 C GLN A 68 -4.406 -1.402 7.327 1.00 1.00 C ATOM 1017 O GLN A 68 -5.477 -1.352 6.719 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.719 -2.986 9.156 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.760 -4.479 9.464 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.190 -4.994 9.264 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.390 -6.182 8.774 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.150 -4.285 9.565 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.701 -3.221 7.722 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.334 -3.531 7.149 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.817 -2.546 9.581 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.568 -2.489 9.625 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.072 -5.016 8.811 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.435 -4.661 10.488 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -5.995 -3.353 9.949 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.101 -4.629 9.430 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.765 -0.316 7.750 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.308 1.006 7.513 1.00 1.00 C ATOM 1033 C GLN A 69 -4.280 1.335 6.024 1.00 1.00 C ATOM 1034 O GLN A 69 -5.230 1.905 5.488 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.488 2.045 8.279 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.265 3.343 8.356 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.483 4.381 9.158 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -2.869 5.350 8.534 1.00 1.00 O flip ATOM 1039 NE2 GLN A 69 -3.436 4.313 10.387 1.00 1.00 N flip ATOM 0 H GLN A 69 -2.878 -0.330 8.253 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.341 1.025 7.860 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.266 1.681 9.282 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.533 2.209 7.781 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.458 3.719 7.351 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -5.234 3.168 8.823 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.916 3.556 10.875 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -2.918 5.013 10.917 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.183 0.975 5.362 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.043 1.244 3.936 1.00 1.00 C ATOM 1050 C ALA A 70 -4.197 0.616 3.158 1.00 1.00 C ATOM 1051 O ALA A 70 -4.788 1.253 2.285 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.716 0.674 3.428 1.00 1.00 C ATOM 0 H ALA A 70 -2.386 0.501 5.786 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.060 2.323 3.784 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.617 0.878 2.362 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -0.890 1.141 3.965 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.695 -0.403 3.595 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.509 -0.632 3.479 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.592 -1.331 2.801 1.00 1.00 C ATOM 1060 C ALA A 71 -6.923 -0.639 3.059 1.00 1.00 C ATOM 1061 O ALA A 71 -7.759 -0.532 2.163 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.666 -2.776 3.297 1.00 1.00 C ATOM 0 H ALA A 71 -4.033 -1.177 4.198 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.392 -1.320 1.730 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.478 -3.295 2.787 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.724 -3.282 3.087 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.850 -2.783 4.371 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.122 -0.183 4.289 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.362 0.491 4.648 1.00 1.00 C ATOM 1070 C ASP A 72 -8.509 1.800 3.875 1.00 1.00 C ATOM 1071 O ASP A 72 -9.607 2.161 3.449 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.379 0.774 6.161 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.877 -0.450 6.925 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -9.861 -1.029 6.493 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.270 -0.791 7.925 1.00 1.00 O ATOM 0 H ASP A 72 -6.447 -0.267 5.049 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.198 -0.159 4.389 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.377 1.039 6.499 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.023 1.628 6.371 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.396 2.504 3.702 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.417 3.772 2.982 1.00 1.00 C ATOM 1082 C VAL A 73 -7.878 3.557 1.543 1.00 1.00 C ATOM 1083 O VAL A 73 -8.698 4.315 1.019 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.022 4.411 2.999 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -5.979 5.584 2.013 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -5.709 4.916 4.409 1.00 1.00 C ATOM 0 H VAL A 73 -6.478 2.223 4.046 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.119 4.443 3.477 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.281 3.667 2.706 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -4.987 6.035 2.028 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.199 5.223 1.008 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -6.721 6.329 2.301 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -4.718 5.370 4.421 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.452 5.658 4.703 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.734 4.081 5.109 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.353 2.514 0.912 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.720 2.204 -0.467 1.00 1.00 C ATOM 1098 C ILE A 74 -9.203 1.871 -0.565 1.00 1.00 C ATOM 1099 O ILE A 74 -9.885 2.317 -1.489 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.881 1.027 -0.986 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.438 1.488 -1.202 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.462 0.506 -2.304 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.519 0.276 -1.276 1.00 1.00 C ATOM 0 H ILE A 74 -6.677 1.873 1.327 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.520 3.081 -1.082 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.900 0.222 -0.251 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.365 2.069 -2.122 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.129 2.142 -0.387 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.859 -0.328 -2.663 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.486 0.171 -2.143 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.454 1.305 -3.046 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.492 0.607 -1.430 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.583 -0.287 -0.345 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.823 -0.361 -2.107 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.694 1.091 0.384 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.097 0.705 0.385 1.00 1.00 C ATOM 1117 C GLU A 75 -11.993 1.929 0.244 1.00 1.00 C ATOM 1118 O GLU A 75 -12.983 1.902 -0.487 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.434 -0.041 1.680 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.881 -1.462 1.615 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.203 -2.196 2.907 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.721 -1.566 3.815 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.923 -3.375 2.969 1.00 1.00 O ATOM 0 H GLU A 75 -9.147 0.715 1.159 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.274 0.047 -0.466 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.010 0.486 2.535 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.514 -0.067 1.825 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.313 -1.992 0.767 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.803 -1.436 1.459 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.638 2.997 0.942 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.415 4.227 0.881 1.00 1.00 C ATOM 1132 C GLY A 76 -12.223 4.932 -0.457 1.00 1.00 C ATOM 1133 O GLY A 76 -13.081 5.696 -0.893 1.00 1.00 O ATOM 0 H GLY A 76 -10.823 3.038 1.554 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.471 4.001 1.028 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.115 4.891 1.692 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.082 4.677 -1.097 1.00 1.00 N ATOM 1138 CA LEU A 77 -10.776 5.298 -2.385 1.00 1.00 C ATOM 1139 C LEU A 77 -11.309 4.462 -3.527 1.00 1.00 C ATOM 1140 O LEU A 77 -11.161 4.831 -4.687 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.266 5.465 -2.531 1.00 1.00 C ATOM 1142 CG LEU A 77 -8.773 6.522 -1.518 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.270 6.356 -1.292 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.043 7.941 -2.054 1.00 1.00 C ATOM 0 H LEU A 77 -10.359 4.049 -0.747 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.258 6.275 -2.419 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -8.764 4.514 -2.356 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.018 5.774 -3.547 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.309 6.381 -0.579 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -6.925 7.103 -0.577 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.069 5.359 -0.901 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -6.743 6.488 -2.237 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -8.691 8.676 -1.331 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.516 8.080 -2.998 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.113 8.072 -2.213 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.928 3.336 -3.190 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.511 2.452 -4.200 1.00 1.00 C ATOM 1158 C LEU A 78 -14.000 2.708 -4.353 1.00 1.00 C ATOM 1159 O LEU A 78 -14.642 2.139 -5.226 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.267 0.992 -3.819 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.873 0.546 -4.280 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.495 -0.762 -3.582 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.862 0.325 -5.805 1.00 1.00 C ATOM 0 H LEU A 78 -12.040 3.012 -2.229 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.030 2.660 -5.156 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.356 0.871 -2.739 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.028 0.358 -4.275 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.154 1.324 -4.024 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.505 -1.077 -3.911 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.487 -0.609 -2.503 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.223 -1.533 -3.834 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.867 0.009 -6.120 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.587 -0.446 -6.066 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.123 1.255 -6.309 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.546 3.542 -3.478 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.964 3.865 -3.509 1.00 1.00 C ATOM 1177 C GLU A 79 -16.215 5.260 -4.003 1.00 1.00 C ATOM 1178 O GLU A 79 -17.361 5.630 -4.223 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.543 3.733 -2.123 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.143 2.384 -1.538 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.695 2.230 -0.111 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.388 3.128 0.336 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.420 1.213 0.515 1.00 1.00 O ATOM 0 H GLU A 79 -14.025 4.008 -2.735 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.441 3.167 -4.197 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.181 4.540 -1.486 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.629 3.819 -2.160 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.522 1.580 -2.169 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.057 2.294 -1.526 1.00 1.00 H new ATOM 1190 N LYS A 80 -15.146 6.015 -4.163 1.00 1.00 N ATOM 1191 CA LYS A 80 -15.231 7.399 -4.650 1.00 1.00 C ATOM 1192 C LYS A 80 -16.402 7.556 -5.613 1.00 1.00 C ATOM 1193 O LYS A 80 -17.023 8.623 -5.716 1.00 1.00 O ATOM 1194 CB LYS A 80 -13.928 7.782 -5.366 1.00 1.00 C ATOM 1195 CG LYS A 80 -13.744 6.924 -6.636 1.00 1.00 C ATOM 1196 CD LYS A 80 -13.305 5.476 -6.272 1.00 1.00 C ATOM 1197 CE LYS A 80 -14.286 4.429 -6.797 1.00 1.00 C ATOM 1198 NZ LYS A 80 -13.548 3.176 -7.055 1.00 1.00 N ATOM 0 H LYS A 80 -14.196 5.700 -3.964 1.00 1.00 H new ATOM 0 HA LYS A 80 -15.385 8.056 -3.794 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -13.948 8.839 -5.632 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -13.081 7.638 -4.696 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -14.678 6.894 -7.198 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -12.997 7.382 -7.284 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -12.315 5.283 -6.685 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -13.223 5.384 -5.189 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -15.080 4.257 -6.070 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -14.762 4.782 -7.712 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -13.607 2.940 -8.066 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -12.551 3.299 -6.786 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -13.965 2.406 -6.495 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.675 6.474 -6.337 1.00 1.00 N ATOM 1213 CA LYS A 81 -17.754 6.476 -7.316 1.00 1.00 C ATOM 1214 C LYS A 81 -19.092 6.756 -6.644 1.00 1.00 C ATOM 1215 O LYS A 81 -19.910 7.533 -7.141 1.00 1.00 O ATOM 1216 CB LYS A 81 -17.822 5.141 -8.057 1.00 1.00 C ATOM 1217 CG LYS A 81 -18.884 5.220 -9.167 1.00 1.00 C ATOM 1218 CD LYS A 81 -18.890 3.916 -9.968 1.00 1.00 C ATOM 1219 CE LYS A 81 -19.912 4.014 -11.104 1.00 1.00 C ATOM 1220 NZ LYS A 81 -21.269 4.258 -10.535 1.00 1.00 N ATOM 0 H LYS A 81 -16.168 5.592 -6.264 1.00 1.00 H new ATOM 0 HA LYS A 81 -17.545 7.268 -8.036 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.849 4.902 -8.487 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -18.068 4.339 -7.361 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -19.868 5.395 -8.731 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -18.673 6.062 -9.826 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -17.897 3.723 -10.374 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -19.136 3.078 -9.316 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -19.640 4.822 -11.783 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -19.911 3.094 -11.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -21.991 4.025 -11.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -21.406 3.661 -9.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -21.358 5.259 -10.266 1.00 1.00 H new ATOM 1234 N ALA A 82 -19.293 6.126 -5.514 1.00 1.00 N ATOM 1235 CA ALA A 82 -20.525 6.302 -4.748 1.00 1.00 C ATOM 1236 C ALA A 82 -20.342 5.839 -3.301 1.00 1.00 C ATOM 1237 O ALA A 82 -20.199 6.693 -2.438 1.00 1.00 O ATOM 1238 CB ALA A 82 -21.658 5.510 -5.396 1.00 1.00 C ATOM 1239 OXT ALA A 82 -20.359 4.641 -3.075 1.00 1.00 O ATOM 0 H ALA A 82 -18.623 5.482 -5.094 1.00 1.00 H new ATOM 0 HA ALA A 82 -20.774 7.363 -4.745 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -22.573 5.646 -4.820 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -21.814 5.866 -6.414 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -21.397 4.452 -5.417 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 13.879 6.144 3.364 1.00 1.00 O HETATM 1247 P24 PNS A 101 14.734 7.301 4.083 1.00 1.00 P HETATM 1248 O25 PNS A 101 14.015 8.580 3.917 1.00 1.00 O HETATM 1249 O26 PNS A 101 16.143 7.179 3.646 1.00 1.00 O HETATM 1250 O27 PNS A 101 14.647 6.882 5.637 1.00 1.00 O HETATM 1251 C28 PNS A 101 13.390 6.784 6.298 1.00 1.00 C HETATM 1252 C29 PNS A 101 13.495 7.459 7.670 1.00 1.00 C HETATM 1253 C30 PNS A 101 14.718 6.936 8.416 1.00 1.00 C HETATM 1254 C31 PNS A 101 12.223 7.151 8.472 1.00 1.00 C HETATM 1255 C32 PNS A 101 13.650 8.965 7.498 1.00 1.00 C HETATM 1256 O33 PNS A 101 12.500 9.449 6.823 1.00 1.00 O HETATM 1257 C34 PNS A 101 13.766 9.648 8.858 1.00 1.00 C HETATM 1258 O35 PNS A 101 14.858 9.757 9.416 1.00 1.00 O HETATM 1259 N36 PNS A 101 12.635 10.105 9.387 1.00 1.00 N HETATM 1260 C37 PNS A 101 12.626 10.773 10.683 1.00 1.00 C HETATM 1261 C38 PNS A 101 11.192 11.095 11.107 1.00 1.00 C HETATM 1262 C39 PNS A 101 10.422 9.804 11.360 1.00 1.00 C HETATM 1263 O40 PNS A 101 10.477 9.242 12.454 1.00 1.00 O HETATM 1264 N41 PNS A 101 9.703 9.339 10.344 1.00 1.00 N HETATM 1265 C42 PNS A 101 8.925 8.113 10.469 1.00 1.00 C HETATM 1266 C43 PNS A 101 7.619 8.387 11.216 1.00 1.00 C HETATM 1267 S44 PNS A 101 6.530 9.349 10.174 1.00 1.00 S HETATM 0 H432 PNS A 101 7.141 7.447 11.491 1.00 1.00 H new HETATM 0 H431 PNS A 101 7.823 8.924 12.142 1.00 1.00 H new HETATM 0 H422 PNS A 101 9.505 7.359 11.001 1.00 1.00 H new HETATM 0 H421 PNS A 101 8.708 7.709 9.480 1.00 1.00 H new HETATM 0 H382 PNS A 101 10.696 11.678 10.331 1.00 1.00 H new HETATM 0 H381 PNS A 101 11.199 11.707 12.009 1.00 1.00 H new HETATM 0 H372 PNS A 101 13.211 11.691 10.630 1.00 1.00 H new HETATM 0 H371 PNS A 101 13.099 10.136 11.431 1.00 1.00 H new HETATM 0 H313 PNS A 101 12.286 7.626 9.451 1.00 1.00 H new HETATM 0 H312 PNS A 101 12.124 6.073 8.598 1.00 1.00 H new HETATM 0 H311 PNS A 101 11.354 7.535 7.938 1.00 1.00 H new HETATM 0 H303 PNS A 101 14.785 7.421 9.390 1.00 1.00 H new HETATM 0 H302 PNS A 101 15.617 7.154 7.839 1.00 1.00 H new HETATM 0 H301 PNS A 101 14.628 5.858 8.553 1.00 1.00 H new HETATM 0 H282 PNS A 101 13.106 5.738 6.414 1.00 1.00 H new HETATM 0 H281 PNS A 101 12.613 7.262 5.702 1.00 1.00 H new HETATM 0 H41 PNS A 101 9.695 9.849 9.461 1.00 1.00 H new HETATM 0 H36 PNS A 101 11.759 9.986 8.878 1.00 1.00 H new HETATM 0 H33 PNS A 101 12.576 10.419 6.702 1.00 1.00 H new HETATM 0 H32 PNS A 101 14.553 9.181 6.928 1.00 1.00 H new HETATM 1288 C1 STE A 102 7.050 10.972 9.817 1.00 1.00 C HETATM 1289 O1 STE A 102 8.084 11.442 10.237 1.00 1.00 O HETATM 1290 C2 STE A 102 6.072 11.696 8.938 1.00 1.00 C HETATM 1291 C3 STE A 102 6.437 11.484 7.468 1.00 1.00 C HETATM 1292 C4 STE A 102 6.307 10.000 7.116 1.00 1.00 C HETATM 1293 C5 STE A 102 6.287 9.839 5.597 1.00 1.00 C HETATM 1294 C6 STE A 102 6.391 8.361 5.248 1.00 1.00 C HETATM 1295 C7 STE A 102 6.331 8.194 3.730 1.00 1.00 C HETATM 1296 C8 STE A 102 6.285 6.692 3.376 1.00 1.00 C HETATM 1297 C9 STE A 102 4.824 6.201 3.368 1.00 1.00 C HETATM 1298 C10 STE A 102 4.174 6.527 2.023 1.00 1.00 C HETATM 1299 C11 STE A 102 2.827 5.829 1.938 1.00 1.00 C HETATM 1300 C12 STE A 102 3.018 4.286 1.863 1.00 1.00 C HETATM 1301 C13 STE A 102 1.933 3.664 0.993 1.00 1.00 C HETATM 1302 C14 STE A 102 0.566 3.872 1.655 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.534 3.450 0.688 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.871 4.018 1.157 1.00 1.00 C HETATM 1305 C17 STE A 102 -3.005 3.417 0.328 1.00 1.00 C HETATM 1306 C18 STE A 102 -3.011 4.027 -1.080 1.00 1.00 C HETATM 0 H183 STE A 102 -3.154 5.105 -1.009 1.00 1.00 H new HETATM 0 H182 STE A 102 -2.060 3.818 -1.571 1.00 1.00 H new HETATM 0 H181 STE A 102 -3.823 3.591 -1.662 1.00 1.00 H new HETATM 0 H172 STE A 102 -2.885 2.336 0.263 1.00 1.00 H new HETATM 0 H171 STE A 102 -3.961 3.603 0.817 1.00 1.00 H new HETATM 0 H162 STE A 102 -2.022 3.794 2.213 1.00 1.00 H new HETATM 0 H161 STE A 102 -1.871 5.103 1.058 1.00 1.00 H new HETATM 0 H152 STE A 102 -0.307 3.808 -0.316 1.00 1.00 H new HETATM 0 H151 STE A 102 -0.588 2.363 0.634 1.00 1.00 H new HETATM 0 H142 STE A 102 0.502 3.288 2.573 1.00 1.00 H new HETATM 0 H141 STE A 102 0.440 4.918 1.933 1.00 1.00 H new HETATM 0 H132 STE A 102 1.942 4.118 0.002 1.00 1.00 H new HETATM 0 H131 STE A 102 2.126 2.600 0.858 1.00 1.00 H new HETATM 0 H122 STE A 102 4.001 4.053 1.453 1.00 1.00 H new HETATM 0 H121 STE A 102 2.981 3.858 2.865 1.00 1.00 H new HETATM 0 H112 STE A 102 2.222 6.085 2.808 1.00 1.00 H new HETATM 0 H111 STE A 102 2.285 6.178 1.059 1.00 1.00 H new HETATM 0 H102 STE A 102 4.046 7.604 1.919 1.00 1.00 H new HETATM 0 H101 STE A 102 4.818 6.202 1.206 1.00 1.00 H new HETATM 0 H92 STE A 102 4.791 5.126 3.547 1.00 1.00 H new HETATM 0 H91 STE A 102 4.267 6.676 4.176 1.00 1.00 H new HETATM 0 H82 STE A 102 6.739 6.525 2.399 1.00 1.00 H new HETATM 0 H81 STE A 102 6.866 6.121 4.100 1.00 1.00 H new HETATM 0 H72 STE A 102 5.450 8.699 3.333 1.00 1.00 H new HETATM 0 H71 STE A 102 7.201 8.660 3.268 1.00 1.00 H new HETATM 0 H62 STE A 102 7.324 7.949 5.634 1.00 1.00 H new HETATM 0 H61 STE A 102 5.579 7.807 5.719 1.00 1.00 H new HETATM 0 H52 STE A 102 5.368 10.258 5.187 1.00 1.00 H new HETATM 0 H51 STE A 102 7.115 10.389 5.150 1.00 1.00 H new HETATM 0 H42 STE A 102 7.140 9.440 7.541 1.00 1.00 H new HETATM 0 H41 STE A 102 5.394 9.591 7.548 1.00 1.00 H new HETATM 0 H32 STE A 102 5.782 12.078 6.831 1.00 1.00 H new HETATM 0 H31 STE A 102 7.456 11.824 7.283 1.00 1.00 H new HETATM 0 H22 STE A 102 5.062 11.333 9.127 1.00 1.00 H new HETATM 0 H21 STE A 102 6.077 12.760 9.173 1.00 1.00 H new