USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 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 26 THR OG1 : rot -115:sc= -0.0607 USER MOD Set 1.2: A 29 SER OG : rot 114:sc= 0.646 USER MOD Single : A 1 ALA N :NH3+ -151:sc= 0.764 (180deg=-1.44!) USER MOD Single : A 2 LYS NZ :NH3+ 127:sc= 0.795 (180deg=-0.857!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -147:sc= 0.742 USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= 0.0349 (180deg=0) USER MOD Single : A 10 SER OG : rot -33:sc= 0.537 USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0382) USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= -6.07! (180deg=-10.7!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 46 MET CE :methyl 173:sc= -0.126 (180deg=-0.223) USER MOD Single : A 47 ASN : amide:sc= -1.84! C(o=-1.8!,f=0.39!) USER MOD Single : A 55 ASN : amide:sc= -2.98! K(o=-3!,f=-1.8) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.7 K(o=-0.7,f=-2.7!) USER MOD Single : A 65 SER OG : rot 160:sc= -2.35 USER MOD Single : A 66 THR OG1 : rot -119:sc= 0.207! USER MOD Single : A 68 GLN : amide:sc= -6.13! K(o=-6.1!,f=-0.46) USER MOD Single : A 69 GLN : amide:sc= -2.21 K(o=-2.2,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.0251 (180deg=-0.421) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc=-0.00342 (180deg=-0.161) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0423 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.740 -3.516 6.227 1.00 1.00 N ATOM 2 CA ALA A 1 -10.524 -3.668 4.760 1.00 1.00 C ATOM 3 C ALA A 1 -10.786 -5.116 4.359 1.00 1.00 C ATOM 4 O ALA A 1 -10.858 -6.003 5.210 1.00 1.00 O ATOM 5 CB ALA A 1 -9.083 -3.293 4.413 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.048 -2.544 6.434 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.471 -4.185 6.541 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.852 -3.712 6.731 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.207 -3.011 4.221 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.926 -3.405 3.340 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.897 -2.258 4.701 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.397 -3.948 4.950 1.00 1.00 H new ATOM 13 N LYS A 2 -10.921 -5.352 3.057 1.00 1.00 N ATOM 14 CA LYS A 2 -11.167 -6.698 2.553 1.00 1.00 C ATOM 15 C LYS A 2 -9.857 -7.472 2.466 1.00 1.00 C ATOM 16 O LYS A 2 -8.810 -6.903 2.172 1.00 1.00 O ATOM 17 CB LYS A 2 -11.819 -6.634 1.174 1.00 1.00 C ATOM 18 CG LYS A 2 -13.214 -6.016 1.297 1.00 1.00 C ATOM 19 CD LYS A 2 -13.876 -5.970 -0.081 1.00 1.00 C ATOM 20 CE LYS A 2 -15.309 -5.456 0.058 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.286 -4.032 0.500 1.00 1.00 N ATOM 0 H LYS A 2 -10.864 -4.633 2.336 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.840 -7.210 3.241 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.205 -6.040 0.497 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.889 -7.634 0.746 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.823 -6.602 1.985 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.142 -5.010 1.711 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.308 -5.320 -0.747 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.877 -6.964 -0.529 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.832 -5.544 -0.894 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.856 -6.063 0.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -15.860 -3.458 -0.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.676 -3.961 1.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -14.306 -3.683 0.497 1.00 1.00 H new ATOM 35 N LYS A 3 -9.922 -8.769 2.719 1.00 1.00 N ATOM 36 CA LYS A 3 -8.729 -9.608 2.675 1.00 1.00 C ATOM 37 C LYS A 3 -8.076 -9.551 1.298 1.00 1.00 C ATOM 38 O LYS A 3 -6.852 -9.506 1.186 1.00 1.00 O ATOM 39 CB LYS A 3 -9.110 -11.052 2.993 1.00 1.00 C ATOM 40 CG LYS A 3 -9.537 -11.167 4.458 1.00 1.00 C ATOM 41 CD LYS A 3 -10.245 -12.507 4.682 1.00 1.00 C ATOM 42 CE LYS A 3 -9.367 -13.652 4.169 1.00 1.00 C ATOM 43 NZ LYS A 3 -9.836 -14.940 4.757 1.00 1.00 N ATOM 0 H LYS A 3 -10.782 -9.264 2.956 1.00 1.00 H new ATOM 0 HA LYS A 3 -8.019 -9.237 3.414 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.922 -11.375 2.342 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.264 -11.712 2.799 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.666 -11.091 5.109 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.202 -10.344 4.719 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -10.454 -12.645 5.743 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -11.204 -12.513 4.164 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -9.411 -13.699 3.081 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.326 -13.475 4.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.240 -15.718 4.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.772 -14.892 5.794 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.824 -15.109 4.479 1.00 1.00 H new ATOM 57 N GLU A 4 -8.895 -9.554 0.257 1.00 1.00 N ATOM 58 CA GLU A 4 -8.376 -9.502 -1.102 1.00 1.00 C ATOM 59 C GLU A 4 -7.603 -8.204 -1.327 1.00 1.00 C ATOM 60 O GLU A 4 -6.526 -8.207 -1.924 1.00 1.00 O ATOM 61 CB GLU A 4 -9.540 -9.601 -2.094 1.00 1.00 C ATOM 62 CG GLU A 4 -10.347 -8.297 -2.083 1.00 1.00 C ATOM 63 CD GLU A 4 -11.675 -8.491 -2.806 1.00 1.00 C ATOM 64 OE1 GLU A 4 -11.708 -9.265 -3.749 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.642 -7.862 -2.405 1.00 1.00 O ATOM 0 H GLU A 4 -9.912 -9.591 0.325 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.695 -10.339 -1.257 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.159 -9.795 -3.097 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.184 -10.440 -1.830 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.527 -7.982 -1.055 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.775 -7.503 -2.564 1.00 1.00 H new ATOM 72 N THR A 5 -8.165 -7.098 -0.848 1.00 1.00 N ATOM 73 CA THR A 5 -7.526 -5.798 -1.000 1.00 1.00 C ATOM 74 C THR A 5 -6.244 -5.739 -0.180 1.00 1.00 C ATOM 75 O THR A 5 -5.226 -5.229 -0.636 1.00 1.00 O ATOM 76 CB THR A 5 -8.477 -4.680 -0.560 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.766 -4.931 -1.100 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.964 -3.344 -1.101 1.00 1.00 C ATOM 0 H THR A 5 -9.057 -7.077 -0.354 1.00 1.00 H new ATOM 0 HA THR A 5 -7.280 -5.657 -2.052 1.00 1.00 H new ATOM 0 HB THR A 5 -8.528 -4.645 0.528 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.211 -4.080 -1.294 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.636 -2.544 -0.791 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.966 -3.152 -0.708 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.924 -3.384 -2.190 1.00 1.00 H new ATOM 86 N ILE A 6 -6.307 -6.259 1.039 1.00 1.00 N ATOM 87 CA ILE A 6 -5.152 -6.253 1.922 1.00 1.00 C ATOM 88 C ILE A 6 -3.994 -7.031 1.305 1.00 1.00 C ATOM 89 O ILE A 6 -2.853 -6.571 1.314 1.00 1.00 O ATOM 90 CB ILE A 6 -5.532 -6.890 3.269 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.514 -5.980 4.015 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.281 -7.075 4.129 1.00 1.00 C ATOM 93 CD1 ILE A 6 -7.134 -6.742 5.192 1.00 1.00 C ATOM 0 H ILE A 6 -7.143 -6.688 1.436 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.838 -5.220 2.073 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.995 -7.858 3.080 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.998 -5.091 4.377 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.297 -5.640 3.337 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.558 -7.527 5.082 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.576 -7.725 3.611 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.816 -6.106 4.309 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.831 -6.091 5.720 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.666 -7.617 4.819 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -6.346 -7.060 5.875 1.00 1.00 H new ATOM 105 N ASP A 7 -4.292 -8.204 0.767 1.00 1.00 N ATOM 106 CA ASP A 7 -3.263 -9.030 0.148 1.00 1.00 C ATOM 107 C ASP A 7 -2.722 -8.335 -1.100 1.00 1.00 C ATOM 108 O ASP A 7 -1.534 -8.428 -1.408 1.00 1.00 O ATOM 109 CB ASP A 7 -3.859 -10.399 -0.222 1.00 1.00 C ATOM 110 CG ASP A 7 -3.834 -11.341 0.984 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.287 -10.960 2.006 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.371 -12.430 0.864 1.00 1.00 O ATOM 0 H ASP A 7 -5.230 -8.604 0.746 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.442 -9.176 0.850 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.884 -10.273 -0.571 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.294 -10.837 -1.045 1.00 1.00 H new ATOM 117 N LYS A 8 -3.598 -7.642 -1.810 1.00 1.00 N ATOM 118 CA LYS A 8 -3.192 -6.941 -3.019 1.00 1.00 C ATOM 119 C LYS A 8 -2.198 -5.835 -2.701 1.00 1.00 C ATOM 120 O LYS A 8 -1.194 -5.677 -3.388 1.00 1.00 O ATOM 121 CB LYS A 8 -4.425 -6.345 -3.698 1.00 1.00 C ATOM 122 CG LYS A 8 -5.213 -7.440 -4.430 1.00 1.00 C ATOM 123 CD LYS A 8 -4.651 -7.648 -5.852 1.00 1.00 C ATOM 124 CE LYS A 8 -5.272 -6.630 -6.817 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.797 -6.907 -8.198 1.00 1.00 N ATOM 0 H LYS A 8 -4.586 -7.550 -1.574 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.708 -7.653 -3.687 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.061 -5.865 -2.955 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.122 -5.572 -4.404 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.157 -8.373 -3.870 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.266 -7.164 -4.485 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.567 -7.538 -5.843 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.866 -8.661 -6.192 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.360 -6.689 -6.776 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.997 -5.617 -6.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.552 -6.682 -8.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.962 -6.321 -8.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.543 -7.912 -8.283 1.00 1.00 H new ATOM 139 N VAL A 9 -2.491 -5.073 -1.658 1.00 1.00 N ATOM 140 CA VAL A 9 -1.621 -3.974 -1.263 1.00 1.00 C ATOM 141 C VAL A 9 -0.228 -4.490 -0.941 1.00 1.00 C ATOM 142 O VAL A 9 0.773 -3.917 -1.366 1.00 1.00 O ATOM 143 CB VAL A 9 -2.205 -3.259 -0.038 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.237 -2.167 0.422 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.564 -2.634 -0.394 1.00 1.00 C ATOM 0 H VAL A 9 -3.318 -5.193 -1.073 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.552 -3.270 -2.092 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.348 -3.980 0.767 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.650 -1.658 1.293 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.280 -2.617 0.685 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.091 -1.448 -0.384 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.972 -2.128 0.481 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.433 -1.914 -1.201 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.252 -3.417 -0.714 1.00 1.00 H new ATOM 155 N SER A 10 -0.169 -5.578 -0.189 1.00 1.00 N ATOM 156 CA SER A 10 1.110 -6.163 0.178 1.00 1.00 C ATOM 157 C SER A 10 1.882 -6.584 -1.065 1.00 1.00 C ATOM 158 O SER A 10 3.089 -6.382 -1.142 1.00 1.00 O ATOM 159 CB SER A 10 0.889 -7.394 1.064 1.00 1.00 C ATOM 160 OG SER A 10 0.131 -8.357 0.348 1.00 1.00 O ATOM 0 H SER A 10 -0.984 -6.070 0.176 1.00 1.00 H new ATOM 0 HA SER A 10 1.683 -5.412 0.722 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.848 -7.818 1.363 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.367 -7.110 1.978 1.00 1.00 H new ATOM 0 HG SER A 10 -0.491 -7.900 -0.256 1.00 1.00 H new ATOM 166 N ASP A 11 1.172 -7.167 -2.032 1.00 1.00 N ATOM 167 CA ASP A 11 1.801 -7.640 -3.262 1.00 1.00 C ATOM 168 C ASP A 11 2.597 -6.530 -3.932 1.00 1.00 C ATOM 169 O ASP A 11 3.725 -6.741 -4.365 1.00 1.00 O ATOM 170 CB ASP A 11 0.735 -8.162 -4.234 1.00 1.00 C ATOM 171 CG ASP A 11 1.379 -9.027 -5.317 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.456 -9.547 -5.074 1.00 1.00 O ATOM 173 OD2 ASP A 11 0.779 -9.166 -6.371 1.00 1.00 O ATOM 0 H ASP A 11 0.165 -7.322 -1.986 1.00 1.00 H new ATOM 0 HA ASP A 11 2.484 -8.448 -3.000 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.009 -8.744 -3.690 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.211 -7.324 -4.693 1.00 1.00 H new ATOM 178 N ILE A 12 2.008 -5.350 -4.008 1.00 1.00 N ATOM 179 CA ILE A 12 2.684 -4.227 -4.640 1.00 1.00 C ATOM 180 C ILE A 12 4.094 -4.077 -4.074 1.00 1.00 C ATOM 181 O ILE A 12 5.053 -3.888 -4.822 1.00 1.00 O ATOM 182 CB ILE A 12 1.869 -2.934 -4.406 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.844 -2.730 -5.530 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.786 -1.707 -4.335 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.219 -3.817 -5.472 1.00 1.00 C ATOM 0 H ILE A 12 1.077 -5.144 -3.646 1.00 1.00 H new ATOM 0 HA ILE A 12 2.760 -4.409 -5.712 1.00 1.00 H new ATOM 0 HB ILE A 12 1.349 -3.044 -3.454 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.378 -1.749 -5.434 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.345 -2.752 -6.498 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.185 -0.813 -4.170 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.491 -1.827 -3.513 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.334 -1.608 -5.272 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.941 -3.663 -6.274 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.252 -4.793 -5.590 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.730 -3.775 -4.510 1.00 1.00 H new ATOM 197 N VAL A 13 4.210 -4.138 -2.761 1.00 1.00 N ATOM 198 CA VAL A 13 5.507 -3.983 -2.132 1.00 1.00 C ATOM 199 C VAL A 13 6.435 -5.121 -2.528 1.00 1.00 C ATOM 200 O VAL A 13 7.594 -4.900 -2.861 1.00 1.00 O ATOM 201 CB VAL A 13 5.344 -3.948 -0.615 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.715 -3.783 0.044 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.445 -2.774 -0.225 1.00 1.00 C ATOM 0 H VAL A 13 3.434 -4.292 -2.117 1.00 1.00 H new ATOM 0 HA VAL A 13 5.948 -3.045 -2.470 1.00 1.00 H new ATOM 0 HB VAL A 13 4.890 -4.880 -0.278 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.597 -3.758 1.127 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.355 -4.621 -0.232 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.171 -2.852 -0.293 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.329 -2.749 0.858 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.897 -1.842 -0.563 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.467 -2.893 -0.692 1.00 1.00 H new ATOM 213 N LYS A 14 5.916 -6.342 -2.482 1.00 1.00 N ATOM 214 CA LYS A 14 6.710 -7.518 -2.828 1.00 1.00 C ATOM 215 C LYS A 14 7.028 -7.533 -4.319 1.00 1.00 C ATOM 216 O LYS A 14 8.138 -7.872 -4.725 1.00 1.00 O ATOM 217 CB LYS A 14 5.940 -8.792 -2.447 1.00 1.00 C ATOM 218 CG LYS A 14 5.131 -8.547 -1.155 1.00 1.00 C ATOM 219 CD LYS A 14 5.095 -9.809 -0.289 1.00 1.00 C ATOM 220 CE LYS A 14 6.345 -9.875 0.587 1.00 1.00 C ATOM 221 NZ LYS A 14 6.160 -8.987 1.767 1.00 1.00 N ATOM 0 H LYS A 14 4.954 -6.545 -2.210 1.00 1.00 H new ATOM 0 HA LYS A 14 7.648 -7.480 -2.275 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.270 -9.079 -3.258 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.636 -9.618 -2.300 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.576 -7.727 -0.592 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.115 -8.245 -1.409 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.202 -9.806 0.336 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.037 -10.694 -0.923 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.523 -10.900 0.912 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.221 -9.565 0.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 7.082 -8.607 2.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.527 -8.202 1.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.742 -9.531 2.549 1.00 1.00 H new ATOM 235 N GLU A 15 6.038 -7.172 -5.123 1.00 1.00 N ATOM 236 CA GLU A 15 6.212 -7.154 -6.565 1.00 1.00 C ATOM 237 C GLU A 15 7.455 -6.371 -6.942 1.00 1.00 C ATOM 238 O GLU A 15 8.148 -6.715 -7.901 1.00 1.00 O ATOM 239 CB GLU A 15 4.976 -6.546 -7.247 1.00 1.00 C ATOM 240 CG GLU A 15 3.835 -7.571 -7.294 1.00 1.00 C ATOM 241 CD GLU A 15 2.570 -6.914 -7.840 1.00 1.00 C ATOM 242 OE1 GLU A 15 2.619 -5.729 -8.131 1.00 1.00 O ATOM 243 OE2 GLU A 15 1.571 -7.604 -7.957 1.00 1.00 O ATOM 0 H GLU A 15 5.112 -6.890 -4.802 1.00 1.00 H new ATOM 0 HA GLU A 15 6.331 -8.182 -6.908 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.653 -5.657 -6.705 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.230 -6.228 -8.258 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.118 -8.415 -7.923 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.648 -7.967 -6.296 1.00 1.00 H new ATOM 250 N LYS A 16 7.739 -5.329 -6.186 1.00 1.00 N ATOM 251 CA LYS A 16 8.909 -4.514 -6.456 1.00 1.00 C ATOM 252 C LYS A 16 10.174 -5.356 -6.318 1.00 1.00 C ATOM 253 O LYS A 16 11.082 -5.266 -7.140 1.00 1.00 O ATOM 254 CB LYS A 16 8.932 -3.355 -5.479 1.00 1.00 C ATOM 255 CG LYS A 16 7.772 -2.404 -5.803 1.00 1.00 C ATOM 256 CD LYS A 16 7.498 -1.497 -4.608 1.00 1.00 C ATOM 257 CE LYS A 16 8.459 -0.295 -4.615 1.00 1.00 C ATOM 258 NZ LYS A 16 8.565 0.280 -3.244 1.00 1.00 N ATOM 0 H LYS A 16 7.182 -5.028 -5.386 1.00 1.00 H new ATOM 0 HA LYS A 16 8.867 -4.128 -7.475 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.843 -3.723 -4.457 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.882 -2.826 -5.546 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.016 -1.803 -6.679 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.878 -2.977 -6.049 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.466 -1.146 -4.639 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.616 -2.060 -3.682 1.00 1.00 H new ATOM 0 HE2 LYS A 16 9.443 -0.608 -4.964 1.00 1.00 H new ATOM 0 HE3 LYS A 16 8.100 0.464 -5.310 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.143 1.230 -3.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.060 -0.331 -2.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.566 0.343 -2.970 1.00 1.00 H new ATOM 272 N LEU A 17 10.234 -6.177 -5.262 1.00 1.00 N ATOM 273 CA LEU A 17 11.386 -7.033 -5.016 1.00 1.00 C ATOM 274 C LEU A 17 11.142 -8.412 -5.590 1.00 1.00 C ATOM 275 O LEU A 17 11.995 -9.296 -5.497 1.00 1.00 O ATOM 276 CB LEU A 17 11.621 -7.158 -3.517 1.00 1.00 C ATOM 277 CG LEU A 17 11.968 -5.805 -2.909 1.00 1.00 C ATOM 278 CD1 LEU A 17 13.222 -5.214 -3.587 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.782 -4.838 -3.054 1.00 1.00 C ATOM 0 H LEU A 17 9.493 -6.262 -4.566 1.00 1.00 H new ATOM 0 HA LEU A 17 12.259 -6.589 -5.494 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.729 -7.559 -3.037 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.429 -7.864 -3.329 1.00 1.00 H new ATOM 0 HG LEU A 17 12.180 -5.946 -1.849 1.00 1.00 H new ATOM 0 HD11 LEU A 17 13.456 -4.247 -3.141 1.00 1.00 H new ATOM 0 HD12 LEU A 17 14.064 -5.891 -3.447 1.00 1.00 H new ATOM 0 HD13 LEU A 17 13.033 -5.085 -4.653 1.00 1.00 H new ATOM 0 HD21 LEU A 17 11.042 -3.875 -2.616 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.548 -4.705 -4.110 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.913 -5.248 -2.539 1.00 1.00 H new ATOM 291 N ALA A 18 9.972 -8.601 -6.172 1.00 1.00 N ATOM 292 CA ALA A 18 9.622 -9.887 -6.749 1.00 1.00 C ATOM 293 C ALA A 18 9.420 -10.914 -5.653 1.00 1.00 C ATOM 294 O ALA A 18 9.640 -12.108 -5.855 1.00 1.00 O ATOM 295 CB ALA A 18 10.724 -10.357 -7.710 1.00 1.00 C ATOM 0 H ALA A 18 9.251 -7.885 -6.258 1.00 1.00 H new ATOM 0 HA ALA A 18 8.692 -9.776 -7.307 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.449 -11.322 -8.135 1.00 1.00 H new ATOM 0 HB2 ALA A 18 10.843 -9.628 -8.512 1.00 1.00 H new ATOM 0 HB3 ALA A 18 11.664 -10.455 -7.166 1.00 1.00 H new ATOM 301 N LEU A 19 8.999 -10.445 -4.486 1.00 1.00 N ATOM 302 CA LEU A 19 8.771 -11.329 -3.349 1.00 1.00 C ATOM 303 C LEU A 19 7.335 -11.851 -3.352 1.00 1.00 C ATOM 304 O LEU A 19 6.604 -11.680 -4.327 1.00 1.00 O ATOM 305 CB LEU A 19 9.067 -10.553 -2.055 1.00 1.00 C ATOM 306 CG LEU A 19 10.511 -10.795 -1.599 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.479 -10.438 -2.739 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.796 -9.929 -0.364 1.00 1.00 C ATOM 0 H LEU A 19 8.809 -9.460 -4.301 1.00 1.00 H new ATOM 0 HA LEU A 19 9.434 -12.192 -3.416 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.905 -9.488 -2.218 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.376 -10.864 -1.272 1.00 1.00 H new ATOM 0 HG LEU A 19 10.650 -11.845 -1.341 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.505 -10.611 -2.413 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.264 -11.061 -3.607 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.355 -9.389 -3.006 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.821 -10.094 -0.032 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.662 -8.878 -0.618 1.00 1.00 H new ATOM 0 HD23 LEU A 19 10.108 -10.199 0.437 1.00 1.00 H new ATOM 320 N GLY A 20 6.949 -12.492 -2.254 1.00 1.00 N ATOM 321 CA GLY A 20 5.607 -13.049 -2.125 1.00 1.00 C ATOM 322 C GLY A 20 5.580 -14.503 -2.578 1.00 1.00 C ATOM 323 O GLY A 20 4.560 -15.181 -2.459 1.00 1.00 O ATOM 0 H GLY A 20 7.546 -12.639 -1.440 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.278 -12.980 -1.088 1.00 1.00 H new ATOM 0 HA3 GLY A 20 4.907 -12.464 -2.721 1.00 1.00 H new ATOM 327 N ALA A 21 6.709 -14.984 -3.098 1.00 1.00 N ATOM 328 CA ALA A 21 6.800 -16.363 -3.564 1.00 1.00 C ATOM 329 C ALA A 21 7.163 -17.288 -2.413 1.00 1.00 C ATOM 330 O ALA A 21 6.321 -18.036 -1.913 1.00 1.00 O ATOM 331 CB ALA A 21 7.856 -16.476 -4.665 1.00 1.00 C ATOM 0 H ALA A 21 7.566 -14.442 -3.206 1.00 1.00 H new ATOM 0 HA ALA A 21 5.830 -16.658 -3.963 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.917 -17.509 -5.006 1.00 1.00 H new ATOM 0 HB2 ALA A 21 7.580 -15.833 -5.501 1.00 1.00 H new ATOM 0 HB3 ALA A 21 8.825 -16.166 -4.273 1.00 1.00 H new ATOM 337 N ASP A 22 8.425 -17.237 -1.990 1.00 1.00 N ATOM 338 CA ASP A 22 8.896 -18.079 -0.888 1.00 1.00 C ATOM 339 C ASP A 22 9.035 -17.257 0.387 1.00 1.00 C ATOM 340 O ASP A 22 9.738 -17.651 1.321 1.00 1.00 O ATOM 341 CB ASP A 22 10.250 -18.696 -1.242 1.00 1.00 C ATOM 342 CG ASP A 22 10.609 -19.776 -0.224 1.00 1.00 C ATOM 343 OD1 ASP A 22 9.873 -19.924 0.737 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.609 -20.444 -0.427 1.00 1.00 O ATOM 0 H ASP A 22 9.137 -16.626 -2.390 1.00 1.00 H new ATOM 0 HA ASP A 22 8.166 -18.872 -0.724 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.214 -19.125 -2.243 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.020 -17.924 -1.254 1.00 1.00 H new ATOM 349 N VAL A 23 8.368 -16.103 0.422 1.00 1.00 N ATOM 350 CA VAL A 23 8.427 -15.221 1.591 1.00 1.00 C ATOM 351 C VAL A 23 7.025 -14.981 2.147 1.00 1.00 C ATOM 352 O VAL A 23 6.081 -14.727 1.397 1.00 1.00 O ATOM 353 CB VAL A 23 9.059 -13.881 1.202 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.954 -12.901 2.376 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.529 -14.099 0.845 1.00 1.00 C ATOM 0 H VAL A 23 7.784 -15.758 -0.340 1.00 1.00 H new ATOM 0 HA VAL A 23 9.035 -15.701 2.358 1.00 1.00 H new ATOM 0 HB VAL A 23 8.533 -13.467 0.342 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.404 -11.949 2.096 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.905 -12.746 2.628 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.478 -13.310 3.240 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.981 -13.147 0.568 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.055 -14.514 1.705 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.601 -14.792 0.007 1.00 1.00 H new ATOM 365 N VAL A 24 6.901 -15.065 3.466 1.00 1.00 N ATOM 366 CA VAL A 24 5.616 -14.857 4.120 1.00 1.00 C ATOM 367 C VAL A 24 5.155 -13.419 3.927 1.00 1.00 C ATOM 368 O VAL A 24 5.962 -12.488 3.974 1.00 1.00 O ATOM 369 CB VAL A 24 5.732 -15.156 5.615 1.00 1.00 C ATOM 370 CG1 VAL A 24 6.801 -14.255 6.239 1.00 1.00 C ATOM 371 CG2 VAL A 24 4.385 -14.892 6.292 1.00 1.00 C ATOM 0 H VAL A 24 7.671 -15.275 4.101 1.00 1.00 H new ATOM 0 HA VAL A 24 4.887 -15.532 3.672 1.00 1.00 H new ATOM 0 HB VAL A 24 6.013 -16.200 5.754 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.882 -14.470 7.305 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.761 -14.442 5.757 1.00 1.00 H new ATOM 0 HG13 VAL A 24 6.523 -13.210 6.100 1.00 1.00 H new ATOM 0 HG21 VAL A 24 4.466 -15.105 7.358 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.105 -13.848 6.150 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.624 -15.535 5.850 1.00 1.00 H new ATOM 381 N VAL A 25 3.853 -13.238 3.706 1.00 1.00 N ATOM 382 CA VAL A 25 3.292 -11.899 3.503 1.00 1.00 C ATOM 383 C VAL A 25 2.279 -11.577 4.595 1.00 1.00 C ATOM 384 O VAL A 25 1.384 -12.375 4.880 1.00 1.00 O ATOM 385 CB VAL A 25 2.604 -11.828 2.134 1.00 1.00 C ATOM 386 CG1 VAL A 25 2.100 -10.403 1.888 1.00 1.00 C ATOM 387 CG2 VAL A 25 3.586 -12.254 1.037 1.00 1.00 C ATOM 0 H VAL A 25 3.170 -13.994 3.663 1.00 1.00 H new ATOM 0 HA VAL A 25 4.103 -11.171 3.545 1.00 1.00 H new ATOM 0 HB VAL A 25 1.752 -12.508 2.116 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.611 -10.353 0.915 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.388 -10.130 2.666 1.00 1.00 H new ATOM 0 HG13 VAL A 25 2.942 -9.711 1.907 1.00 1.00 H new ATOM 0 HG21 VAL A 25 3.092 -12.202 0.067 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.448 -11.587 1.042 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.917 -13.276 1.221 1.00 1.00 H new ATOM 397 N THR A 26 2.426 -10.401 5.211 1.00 1.00 N ATOM 398 CA THR A 26 1.523 -9.976 6.272 1.00 1.00 C ATOM 399 C THR A 26 1.177 -8.506 6.106 1.00 1.00 C ATOM 400 O THR A 26 1.964 -7.727 5.571 1.00 1.00 O ATOM 401 CB THR A 26 2.187 -10.206 7.631 1.00 1.00 C ATOM 402 OG1 THR A 26 3.530 -9.756 7.577 1.00 1.00 O ATOM 403 CG2 THR A 26 2.156 -11.695 7.967 1.00 1.00 C ATOM 0 H THR A 26 3.162 -9.730 4.990 1.00 1.00 H new ATOM 0 HA THR A 26 0.604 -10.560 6.216 1.00 1.00 H new ATOM 0 HB THR A 26 1.649 -9.653 8.401 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.135 -10.518 7.690 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.629 -11.859 8.935 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.122 -12.038 8.005 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.695 -12.252 7.201 1.00 1.00 H new ATOM 411 N ALA A 27 -0.009 -8.136 6.565 1.00 1.00 N ATOM 412 CA ALA A 27 -0.463 -6.756 6.457 1.00 1.00 C ATOM 413 C ALA A 27 0.037 -5.922 7.629 1.00 1.00 C ATOM 414 O ALA A 27 0.342 -4.742 7.479 1.00 1.00 O ATOM 415 CB ALA A 27 -1.987 -6.720 6.433 1.00 1.00 C ATOM 0 H ALA A 27 -0.672 -8.768 7.014 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.062 -6.337 5.534 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.325 -5.687 6.352 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.351 -7.289 5.578 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.376 -7.158 7.352 1.00 1.00 H new ATOM 421 N ASP A 28 0.109 -6.543 8.797 1.00 1.00 N ATOM 422 CA ASP A 28 0.558 -5.841 9.989 1.00 1.00 C ATOM 423 C ASP A 28 2.077 -5.782 10.027 1.00 1.00 C ATOM 424 O ASP A 28 2.665 -5.470 11.062 1.00 1.00 O ATOM 425 CB ASP A 28 0.036 -6.546 11.243 1.00 1.00 C ATOM 426 CG ASP A 28 -1.481 -6.668 11.175 1.00 1.00 C ATOM 427 OD1 ASP A 28 -2.006 -6.675 10.073 1.00 1.00 O ATOM 428 OD2 ASP A 28 -2.098 -6.758 12.224 1.00 1.00 O ATOM 0 H ASP A 28 -0.135 -7.522 8.944 1.00 1.00 H new ATOM 0 HA ASP A 28 0.166 -4.824 9.961 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.486 -7.535 11.329 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.325 -5.986 12.133 1.00 1.00 H new ATOM 433 N SER A 29 2.711 -6.090 8.896 1.00 1.00 N ATOM 434 CA SER A 29 4.169 -6.070 8.823 1.00 1.00 C ATOM 435 C SER A 29 4.673 -4.715 8.338 1.00 1.00 C ATOM 436 O SER A 29 5.850 -4.570 8.008 1.00 1.00 O ATOM 437 CB SER A 29 4.662 -7.185 7.891 1.00 1.00 C ATOM 438 OG SER A 29 4.991 -8.326 8.673 1.00 1.00 O ATOM 0 H SER A 29 2.244 -6.353 8.028 1.00 1.00 H new ATOM 0 HA SER A 29 4.566 -6.240 9.824 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.891 -7.436 7.163 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.533 -6.849 7.329 1.00 1.00 H new ATOM 0 HG SER A 29 4.375 -9.058 8.459 1.00 1.00 H new ATOM 444 N GLU A 30 3.779 -3.739 8.294 1.00 1.00 N ATOM 445 CA GLU A 30 4.143 -2.404 7.847 1.00 1.00 C ATOM 446 C GLU A 30 4.728 -2.459 6.437 1.00 1.00 C ATOM 447 O GLU A 30 5.261 -3.485 6.014 1.00 1.00 O ATOM 448 CB GLU A 30 5.168 -1.793 8.805 1.00 1.00 C ATOM 449 CG GLU A 30 4.531 -1.589 10.179 1.00 1.00 C ATOM 450 CD GLU A 30 5.599 -1.220 11.202 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.726 -0.990 10.796 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.272 -1.172 12.376 1.00 1.00 O ATOM 0 H GLU A 30 2.800 -3.846 8.561 1.00 1.00 H new ATOM 0 HA GLU A 30 3.246 -1.784 7.835 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.036 -2.447 8.889 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.523 -0.840 8.413 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.779 -0.802 10.127 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.018 -2.499 10.489 1.00 1.00 H new ATOM 459 N PHE A 31 4.629 -1.351 5.716 1.00 1.00 N ATOM 460 CA PHE A 31 5.159 -1.286 4.357 1.00 1.00 C ATOM 461 C PHE A 31 6.668 -1.503 4.357 1.00 1.00 C ATOM 462 O PHE A 31 7.198 -2.238 3.525 1.00 1.00 O ATOM 463 CB PHE A 31 4.827 0.076 3.736 1.00 1.00 C ATOM 464 CG PHE A 31 3.398 0.094 3.260 1.00 1.00 C ATOM 465 CD1 PHE A 31 2.369 0.486 4.123 1.00 1.00 C ATOM 466 CD2 PHE A 31 3.105 -0.286 1.948 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.051 0.496 3.672 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.784 -0.275 1.495 1.00 1.00 C ATOM 469 CZ PHE A 31 0.754 0.115 2.356 1.00 1.00 C ATOM 0 H PHE A 31 4.191 -0.490 6.044 1.00 1.00 H new ATOM 0 HA PHE A 31 4.697 -2.076 3.765 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.984 0.867 4.470 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.499 0.277 2.902 1.00 1.00 H new ATOM 0 HD1 PHE A 31 2.596 0.780 5.137 1.00 1.00 H new ATOM 0 HD2 PHE A 31 3.901 -0.589 1.283 1.00 1.00 H new ATOM 0 HE1 PHE A 31 0.256 0.798 4.338 1.00 1.00 H new ATOM 0 HE2 PHE A 31 1.558 -0.568 0.480 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.268 0.123 2.008 1.00 1.00 H new ATOM 479 N SER A 32 7.355 -0.857 5.292 1.00 1.00 N ATOM 480 CA SER A 32 8.804 -0.988 5.385 1.00 1.00 C ATOM 481 C SER A 32 9.282 -0.632 6.787 1.00 1.00 C ATOM 482 O SER A 32 8.569 0.021 7.550 1.00 1.00 O ATOM 483 CB SER A 32 9.473 -0.067 4.365 1.00 1.00 C ATOM 484 OG SER A 32 8.980 1.255 4.530 1.00 1.00 O ATOM 0 H SER A 32 6.937 -0.243 5.991 1.00 1.00 H new ATOM 0 HA SER A 32 9.075 -2.022 5.174 1.00 1.00 H new ATOM 0 HB2 SER A 32 10.555 -0.083 4.498 1.00 1.00 H new ATOM 0 HB3 SER A 32 9.271 -0.419 3.353 1.00 1.00 H new ATOM 0 HG SER A 32 9.409 1.848 3.878 1.00 1.00 H new ATOM 490 N LYS A 33 10.493 -1.066 7.121 1.00 1.00 N ATOM 491 CA LYS A 33 11.064 -0.790 8.438 1.00 1.00 C ATOM 492 C LYS A 33 11.780 0.556 8.441 1.00 1.00 C ATOM 493 O LYS A 33 12.337 0.978 7.428 1.00 1.00 O ATOM 494 CB LYS A 33 12.048 -1.895 8.823 1.00 1.00 C ATOM 495 CG LYS A 33 11.284 -3.202 9.045 1.00 1.00 C ATOM 496 CD LYS A 33 12.268 -4.305 9.442 1.00 1.00 C ATOM 497 CE LYS A 33 11.502 -5.606 9.694 1.00 1.00 C ATOM 498 NZ LYS A 33 12.460 -6.677 10.085 1.00 1.00 N ATOM 0 H LYS A 33 11.097 -1.608 6.503 1.00 1.00 H new ATOM 0 HA LYS A 33 10.252 -0.758 9.165 1.00 1.00 H new ATOM 0 HB2 LYS A 33 12.792 -2.025 8.037 1.00 1.00 H new ATOM 0 HB3 LYS A 33 12.587 -1.618 9.729 1.00 1.00 H new ATOM 0 HG2 LYS A 33 10.535 -3.070 9.825 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.752 -3.484 8.136 1.00 1.00 H new ATOM 0 HD2 LYS A 33 13.005 -4.451 8.652 1.00 1.00 H new ATOM 0 HD3 LYS A 33 12.815 -4.013 10.338 1.00 1.00 H new ATOM 0 HE2 LYS A 33 10.763 -5.459 10.481 1.00 1.00 H new ATOM 0 HE3 LYS A 33 10.958 -5.900 8.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 11.941 -7.562 10.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 13.149 -6.823 9.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 12.960 -6.396 10.952 1.00 1.00 H new ATOM 512 N LEU A 34 11.762 1.226 9.589 1.00 1.00 N ATOM 513 CA LEU A 34 12.410 2.526 9.715 1.00 1.00 C ATOM 514 C LEU A 34 13.925 2.366 9.719 1.00 1.00 C ATOM 515 O LEU A 34 14.461 1.450 10.341 1.00 1.00 O ATOM 516 CB LEU A 34 11.962 3.204 11.011 1.00 1.00 C ATOM 517 CG LEU A 34 10.431 3.291 11.045 1.00 1.00 C ATOM 518 CD1 LEU A 34 9.986 3.903 12.376 1.00 1.00 C ATOM 519 CD2 LEU A 34 9.927 4.160 9.878 1.00 1.00 C ATOM 0 H LEU A 34 11.309 0.893 10.440 1.00 1.00 H new ATOM 0 HA LEU A 34 12.123 3.143 8.864 1.00 1.00 H new ATOM 0 HB2 LEU A 34 12.323 2.641 11.871 1.00 1.00 H new ATOM 0 HB3 LEU A 34 12.394 4.202 11.079 1.00 1.00 H new ATOM 0 HG LEU A 34 10.011 2.290 10.946 1.00 1.00 H new ATOM 0 HD11 LEU A 34 8.898 3.966 12.402 1.00 1.00 H new ATOM 0 HD12 LEU A 34 10.333 3.277 13.198 1.00 1.00 H new ATOM 0 HD13 LEU A 34 10.409 4.902 12.477 1.00 1.00 H new ATOM 0 HD21 LEU A 34 8.839 4.216 9.910 1.00 1.00 H new ATOM 0 HD22 LEU A 34 10.345 5.163 9.964 1.00 1.00 H new ATOM 0 HD23 LEU A 34 10.240 3.717 8.933 1.00 1.00 H new ATOM 531 N GLY A 35 14.610 3.266 9.020 1.00 1.00 N ATOM 532 CA GLY A 35 16.065 3.217 8.949 1.00 1.00 C ATOM 533 C GLY A 35 16.578 4.009 7.753 1.00 1.00 C ATOM 534 O GLY A 35 15.820 4.722 7.094 1.00 1.00 O ATOM 0 H GLY A 35 14.184 4.032 8.499 1.00 1.00 H new ATOM 0 HA2 GLY A 35 16.492 3.620 9.867 1.00 1.00 H new ATOM 0 HA3 GLY A 35 16.395 2.181 8.873 1.00 1.00 H new ATOM 538 N ALA A 36 17.871 3.880 7.476 1.00 1.00 N ATOM 539 CA ALA A 36 18.479 4.592 6.357 1.00 1.00 C ATOM 540 C ALA A 36 17.840 4.161 5.042 1.00 1.00 C ATOM 541 O ALA A 36 17.653 4.974 4.136 1.00 1.00 O ATOM 542 CB ALA A 36 19.981 4.308 6.311 1.00 1.00 C ATOM 0 H ALA A 36 18.515 3.293 8.007 1.00 1.00 H new ATOM 0 HA ALA A 36 18.316 5.660 6.498 1.00 1.00 H new ATOM 0 HB1 ALA A 36 20.427 4.843 5.473 1.00 1.00 H new ATOM 0 HB2 ALA A 36 20.443 4.640 7.241 1.00 1.00 H new ATOM 0 HB3 ALA A 36 20.145 3.238 6.187 1.00 1.00 H new ATOM 548 N ASP A 37 17.508 2.877 4.941 1.00 1.00 N ATOM 549 CA ASP A 37 16.888 2.345 3.729 1.00 1.00 C ATOM 550 C ASP A 37 15.370 2.378 3.849 1.00 1.00 C ATOM 551 O ASP A 37 14.785 1.675 4.675 1.00 1.00 O ATOM 552 CB ASP A 37 17.346 0.904 3.496 1.00 1.00 C ATOM 553 CG ASP A 37 16.970 0.460 2.085 1.00 1.00 C ATOM 554 OD1 ASP A 37 16.769 1.321 1.245 1.00 1.00 O ATOM 555 OD2 ASP A 37 16.888 -0.738 1.866 1.00 1.00 O ATOM 0 H ASP A 37 17.656 2.188 5.679 1.00 1.00 H new ATOM 0 HA ASP A 37 17.193 2.965 2.886 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.425 0.829 3.635 1.00 1.00 H new ATOM 0 HB3 ASP A 37 16.884 0.243 4.230 1.00 1.00 H new ATOM 560 N SER A 38 14.731 3.200 3.017 1.00 1.00 N ATOM 561 CA SER A 38 13.272 3.324 3.032 1.00 1.00 C ATOM 562 C SER A 38 12.721 3.316 1.612 1.00 1.00 C ATOM 563 O SER A 38 13.366 3.800 0.682 1.00 1.00 O ATOM 564 CB SER A 38 12.866 4.622 3.730 1.00 1.00 C ATOM 0 H SER A 38 15.198 3.788 2.326 1.00 1.00 H new ATOM 0 HA SER A 38 12.859 2.474 3.576 1.00 1.00 H new ATOM 569 N LEU A 39 11.525 2.759 1.453 1.00 1.00 N ATOM 570 CA LEU A 39 10.888 2.687 0.143 1.00 1.00 C ATOM 571 C LEU A 39 10.247 4.023 -0.212 1.00 1.00 C ATOM 572 O LEU A 39 9.809 4.766 0.666 1.00 1.00 O ATOM 573 CB LEU A 39 9.825 1.582 0.136 1.00 1.00 C ATOM 574 CG LEU A 39 10.503 0.215 0.011 1.00 1.00 C ATOM 575 CD1 LEU A 39 11.489 0.021 1.169 1.00 1.00 C ATOM 576 CD2 LEU A 39 9.439 -0.884 0.050 1.00 1.00 C ATOM 0 H LEU A 39 10.979 2.352 2.212 1.00 1.00 H new ATOM 0 HA LEU A 39 11.650 2.456 -0.601 1.00 1.00 H new ATOM 0 HB2 LEU A 39 9.236 1.624 1.052 1.00 1.00 H new ATOM 0 HB3 LEU A 39 9.134 1.734 -0.694 1.00 1.00 H new ATOM 0 HG LEU A 39 11.045 0.162 -0.933 1.00 1.00 H new ATOM 0 HD11 LEU A 39 11.970 -0.953 1.078 1.00 1.00 H new ATOM 0 HD12 LEU A 39 12.246 0.804 1.137 1.00 1.00 H new ATOM 0 HD13 LEU A 39 10.952 0.073 2.116 1.00 1.00 H new ATOM 0 HD21 LEU A 39 9.919 -1.859 -0.039 1.00 1.00 H new ATOM 0 HD22 LEU A 39 8.896 -0.832 0.994 1.00 1.00 H new ATOM 0 HD23 LEU A 39 8.743 -0.746 -0.777 1.00 1.00 H new ATOM 588 N ASP A 40 10.195 4.322 -1.505 1.00 1.00 N ATOM 589 CA ASP A 40 9.605 5.571 -1.967 1.00 1.00 C ATOM 590 C ASP A 40 8.083 5.485 -1.947 1.00 1.00 C ATOM 591 O ASP A 40 7.494 4.612 -2.583 1.00 1.00 O ATOM 592 CB ASP A 40 10.078 5.878 -3.388 1.00 1.00 C ATOM 593 CG ASP A 40 11.542 6.300 -3.371 1.00 1.00 C ATOM 594 OD1 ASP A 40 12.074 6.484 -2.289 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.111 6.436 -4.442 1.00 1.00 O ATOM 0 H ASP A 40 10.552 3.720 -2.247 1.00 1.00 H new ATOM 0 HA ASP A 40 9.923 6.369 -1.296 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.952 4.999 -4.020 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.468 6.671 -3.820 1.00 1.00 H new ATOM 600 N THR A 41 7.454 6.397 -1.216 1.00 1.00 N ATOM 601 CA THR A 41 5.997 6.421 -1.118 1.00 1.00 C ATOM 602 C THR A 41 5.373 6.664 -2.486 1.00 1.00 C ATOM 603 O THR A 41 4.318 6.115 -2.804 1.00 1.00 O ATOM 604 CB THR A 41 5.553 7.518 -0.148 1.00 1.00 C ATOM 605 OG1 THR A 41 6.293 7.407 1.061 1.00 1.00 O ATOM 606 CG2 THR A 41 4.058 7.374 0.149 1.00 1.00 C ATOM 0 H THR A 41 7.926 7.128 -0.684 1.00 1.00 H new ATOM 0 HA THR A 41 5.662 5.453 -0.745 1.00 1.00 H new ATOM 0 HB THR A 41 5.735 8.494 -0.598 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.011 8.110 1.683 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.747 8.158 0.840 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.493 7.463 -0.779 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.868 6.399 0.597 1.00 1.00 H new ATOM 614 N VAL A 42 6.028 7.494 -3.290 1.00 1.00 N ATOM 615 CA VAL A 42 5.528 7.811 -4.622 1.00 1.00 C ATOM 616 C VAL A 42 5.402 6.539 -5.456 1.00 1.00 C ATOM 617 O VAL A 42 4.496 6.404 -6.274 1.00 1.00 O ATOM 618 CB VAL A 42 6.475 8.788 -5.319 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.988 9.039 -6.748 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.499 10.110 -4.548 1.00 1.00 C ATOM 0 H VAL A 42 6.903 7.958 -3.044 1.00 1.00 H new ATOM 0 HA VAL A 42 4.545 8.271 -4.523 1.00 1.00 H new ATOM 0 HB VAL A 42 7.479 8.365 -5.347 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.663 9.736 -7.245 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.969 8.097 -7.297 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.984 9.463 -6.721 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.174 10.808 -5.044 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.495 10.533 -4.521 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.845 9.931 -3.530 1.00 1.00 H new ATOM 630 N GLU A 43 6.321 5.607 -5.254 1.00 1.00 N ATOM 631 CA GLU A 43 6.286 4.353 -5.994 1.00 1.00 C ATOM 632 C GLU A 43 5.144 3.464 -5.507 1.00 1.00 C ATOM 633 O GLU A 43 4.384 2.916 -6.305 1.00 1.00 O ATOM 634 CB GLU A 43 7.610 3.613 -5.827 1.00 1.00 C ATOM 635 CG GLU A 43 8.714 4.382 -6.550 1.00 1.00 C ATOM 636 CD GLU A 43 10.060 3.707 -6.312 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.086 2.711 -5.607 1.00 1.00 O ATOM 638 OE2 GLU A 43 11.046 4.193 -6.841 1.00 1.00 O ATOM 0 H GLU A 43 7.092 5.692 -4.592 1.00 1.00 H new ATOM 0 HA GLU A 43 6.124 4.585 -7.047 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.853 3.514 -4.769 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.529 2.604 -6.231 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.501 4.422 -7.618 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.746 5.411 -6.193 1.00 1.00 H new ATOM 645 N ILE A 44 5.039 3.313 -4.190 1.00 1.00 N ATOM 646 CA ILE A 44 4.000 2.468 -3.610 1.00 1.00 C ATOM 647 C ILE A 44 2.605 3.006 -3.915 1.00 1.00 C ATOM 648 O ILE A 44 1.731 2.268 -4.364 1.00 1.00 O ATOM 649 CB ILE A 44 4.175 2.397 -2.090 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.592 1.921 -1.754 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.154 1.429 -1.492 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.881 0.572 -2.426 1.00 1.00 C ATOM 0 H ILE A 44 5.654 3.760 -3.510 1.00 1.00 H new ATOM 0 HA ILE A 44 4.099 1.477 -4.052 1.00 1.00 H new ATOM 0 HB ILE A 44 4.017 3.389 -1.668 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.319 2.662 -2.086 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.703 1.827 -0.674 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.285 1.384 -0.411 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.146 1.776 -1.721 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.302 0.436 -1.917 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.892 0.250 -2.176 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.166 -0.171 -2.073 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.791 0.677 -3.507 1.00 1.00 H new ATOM 664 N VAL A 45 2.401 4.292 -3.666 1.00 1.00 N ATOM 665 CA VAL A 45 1.100 4.902 -3.905 1.00 1.00 C ATOM 666 C VAL A 45 0.709 4.784 -5.375 1.00 1.00 C ATOM 667 O VAL A 45 -0.429 4.449 -5.700 1.00 1.00 O ATOM 668 CB VAL A 45 1.144 6.381 -3.510 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.996 7.162 -4.515 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.274 6.946 -3.503 1.00 1.00 C ATOM 0 H VAL A 45 3.111 4.928 -3.302 1.00 1.00 H new ATOM 0 HA VAL A 45 0.358 4.379 -3.302 1.00 1.00 H new ATOM 0 HB VAL A 45 1.583 6.475 -2.516 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.024 8.213 -4.229 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.010 6.761 -4.522 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.562 7.068 -5.510 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.245 7.999 -3.222 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.710 6.848 -4.497 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.881 6.395 -2.785 1.00 1.00 H new ATOM 680 N MET A 46 1.658 5.075 -6.255 1.00 1.00 N ATOM 681 CA MET A 46 1.398 5.018 -7.683 1.00 1.00 C ATOM 682 C MET A 46 1.039 3.597 -8.106 1.00 1.00 C ATOM 683 O MET A 46 0.151 3.394 -8.933 1.00 1.00 O ATOM 684 CB MET A 46 2.629 5.495 -8.454 1.00 1.00 C ATOM 685 CG MET A 46 2.260 5.712 -9.915 1.00 1.00 C ATOM 686 SD MET A 46 1.219 7.191 -10.063 1.00 1.00 S ATOM 687 CE MET A 46 -0.303 6.372 -10.611 1.00 1.00 C ATOM 0 H MET A 46 2.608 5.351 -6.005 1.00 1.00 H new ATOM 0 HA MET A 46 0.555 5.671 -7.910 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.006 6.422 -8.021 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.429 4.758 -8.375 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.162 5.828 -10.516 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.730 4.841 -10.300 1.00 1.00 H new ATOM 0 HE1 MET A 46 -1.116 7.098 -10.643 1.00 1.00 H new ATOM 0 HE2 MET A 46 -0.152 5.952 -11.606 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.557 5.573 -9.915 1.00 1.00 H new ATOM 697 N ASN A 47 1.734 2.617 -7.536 1.00 1.00 N ATOM 698 CA ASN A 47 1.473 1.226 -7.870 1.00 1.00 C ATOM 699 C ASN A 47 0.054 0.832 -7.466 1.00 1.00 C ATOM 700 O ASN A 47 -0.663 0.188 -8.231 1.00 1.00 O ATOM 701 CB ASN A 47 2.494 0.336 -7.143 1.00 1.00 C ATOM 702 CG ASN A 47 3.794 0.258 -7.934 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.605 1.183 -7.897 1.00 1.00 O ATOM 704 ND2 ASN A 47 4.043 -0.807 -8.644 1.00 1.00 N ATOM 0 H ASN A 47 2.474 2.760 -6.848 1.00 1.00 H new ATOM 0 HA ASN A 47 1.568 1.093 -8.948 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.690 0.736 -6.148 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.083 -0.664 -7.009 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.913 -0.876 -9.172 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.368 -1.571 -8.671 1.00 1.00 H new ATOM 711 N LEU A 48 -0.342 1.210 -6.260 1.00 1.00 N ATOM 712 CA LEU A 48 -1.673 0.874 -5.769 1.00 1.00 C ATOM 713 C LEU A 48 -2.739 1.585 -6.590 1.00 1.00 C ATOM 714 O LEU A 48 -3.740 0.988 -6.980 1.00 1.00 O ATOM 715 CB LEU A 48 -1.787 1.286 -4.299 1.00 1.00 C ATOM 716 CG LEU A 48 -0.717 0.554 -3.467 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.502 1.300 -2.149 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.159 -0.878 -3.149 1.00 1.00 C ATOM 0 H LEU A 48 0.232 1.744 -5.608 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.826 -0.201 -5.862 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.660 2.364 -4.203 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.781 1.047 -3.921 1.00 1.00 H new ATOM 0 HG LEU A 48 0.206 0.523 -4.046 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.255 0.784 -1.558 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.169 2.317 -2.357 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.438 1.331 -1.592 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.387 -1.375 -2.561 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.089 -0.854 -2.581 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.315 -1.425 -4.079 1.00 1.00 H new ATOM 730 N GLU A 49 -2.516 2.862 -6.856 1.00 1.00 N ATOM 731 CA GLU A 49 -3.469 3.640 -7.630 1.00 1.00 C ATOM 732 C GLU A 49 -3.602 3.060 -9.033 1.00 1.00 C ATOM 733 O GLU A 49 -4.670 3.118 -9.641 1.00 1.00 O ATOM 734 CB GLU A 49 -3.011 5.095 -7.712 1.00 1.00 C ATOM 735 CG GLU A 49 -4.128 5.949 -8.315 1.00 1.00 C ATOM 736 CD GLU A 49 -3.676 7.402 -8.413 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.683 7.734 -7.789 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.330 8.159 -9.112 1.00 1.00 O ATOM 0 H GLU A 49 -1.691 3.378 -6.550 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.440 3.599 -7.136 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.754 5.463 -6.719 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.111 5.170 -8.323 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.391 5.574 -9.304 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.024 5.879 -7.699 1.00 1.00 H new ATOM 745 N GLU A 50 -2.506 2.504 -9.543 1.00 1.00 N ATOM 746 CA GLU A 50 -2.512 1.912 -10.875 1.00 1.00 C ATOM 747 C GLU A 50 -3.144 0.523 -10.852 1.00 1.00 C ATOM 748 O GLU A 50 -3.963 0.189 -11.711 1.00 1.00 O ATOM 749 CB GLU A 50 -1.080 1.817 -11.411 1.00 1.00 C ATOM 750 CG GLU A 50 -1.096 1.236 -12.827 1.00 1.00 C ATOM 751 CD GLU A 50 0.311 1.244 -13.412 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.151 1.944 -12.872 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.526 0.556 -14.396 1.00 1.00 O ATOM 0 H GLU A 50 -1.610 2.452 -9.058 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.105 2.551 -11.529 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.618 2.804 -11.418 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.477 1.188 -10.756 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.484 0.218 -12.806 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.765 1.819 -13.460 1.00 1.00 H new ATOM 760 N GLU A 51 -2.754 -0.284 -9.872 1.00 1.00 N ATOM 761 CA GLU A 51 -3.285 -1.639 -9.755 1.00 1.00 C ATOM 762 C GLU A 51 -4.787 -1.605 -9.502 1.00 1.00 C ATOM 763 O GLU A 51 -5.558 -2.277 -10.189 1.00 1.00 O ATOM 764 CB GLU A 51 -2.588 -2.370 -8.606 1.00 1.00 C ATOM 765 CG GLU A 51 -2.950 -3.858 -8.652 1.00 1.00 C ATOM 766 CD GLU A 51 -2.274 -4.517 -9.850 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.467 -3.861 -10.487 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.577 -5.670 -10.114 1.00 1.00 O ATOM 0 H GLU A 51 -2.078 -0.028 -9.152 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.099 -2.167 -10.690 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.508 -2.245 -8.684 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.891 -1.941 -7.651 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.635 -4.347 -7.730 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.031 -3.977 -8.722 1.00 1.00 H new ATOM 775 N PHE A 52 -5.198 -0.817 -8.515 1.00 1.00 N ATOM 776 CA PHE A 52 -6.611 -0.700 -8.180 1.00 1.00 C ATOM 777 C PHE A 52 -7.331 0.174 -9.201 1.00 1.00 C ATOM 778 O PHE A 52 -8.550 0.085 -9.359 1.00 1.00 O ATOM 779 CB PHE A 52 -6.770 -0.097 -6.786 1.00 1.00 C ATOM 780 CG PHE A 52 -6.334 -1.101 -5.744 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.044 -2.298 -5.578 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.210 -0.840 -4.948 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.631 -3.226 -4.615 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.801 -1.768 -3.989 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.510 -2.957 -3.824 1.00 1.00 C ATOM 0 H PHE A 52 -4.576 -0.253 -7.936 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.053 -1.696 -8.195 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.173 0.811 -6.702 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.809 0.187 -6.619 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.908 -2.504 -6.192 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.660 0.080 -5.077 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.177 -4.148 -4.483 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.936 -1.565 -3.375 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.192 -3.674 -3.082 1.00 1.00 H new ATOM 795 N GLY A 53 -6.571 1.019 -9.891 1.00 1.00 N ATOM 796 CA GLY A 53 -7.152 1.905 -10.894 1.00 1.00 C ATOM 797 C GLY A 53 -8.018 2.968 -10.235 1.00 1.00 C ATOM 798 O GLY A 53 -9.063 3.352 -10.766 1.00 1.00 O ATOM 0 H GLY A 53 -5.561 1.109 -9.776 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.358 2.381 -11.470 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.751 1.325 -11.596 1.00 1.00 H new ATOM 802 N ILE A 54 -7.583 3.442 -9.069 1.00 1.00 N ATOM 803 CA ILE A 54 -8.326 4.463 -8.333 1.00 1.00 C ATOM 804 C ILE A 54 -7.614 5.806 -8.406 1.00 1.00 C ATOM 805 O ILE A 54 -6.745 6.013 -9.250 1.00 1.00 O ATOM 806 CB ILE A 54 -8.477 4.031 -6.868 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.085 3.844 -6.241 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.281 2.713 -6.792 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.203 3.577 -4.740 1.00 1.00 C ATOM 0 H ILE A 54 -6.722 3.136 -8.615 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.312 4.573 -8.785 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.014 4.801 -6.315 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.571 3.013 -6.724 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.481 4.735 -6.411 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.386 2.410 -5.750 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.269 2.864 -7.227 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.756 1.934 -7.345 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.208 3.447 -4.314 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.697 4.421 -4.258 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.788 2.672 -4.576 1.00 1.00 H new ATOM 821 N ASN A 55 -7.989 6.718 -7.509 1.00 1.00 N ATOM 822 CA ASN A 55 -7.384 8.046 -7.468 1.00 1.00 C ATOM 823 C ASN A 55 -7.065 8.426 -6.037 1.00 1.00 C ATOM 824 O ASN A 55 -7.963 8.716 -5.244 1.00 1.00 O ATOM 825 CB ASN A 55 -8.341 9.078 -8.070 1.00 1.00 C ATOM 826 CG ASN A 55 -8.400 8.899 -9.581 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.240 9.499 -10.250 1.00 1.00 O ATOM 828 ND2 ASN A 55 -7.556 8.093 -10.153 1.00 1.00 N ATOM 0 H ASN A 55 -8.708 6.560 -6.803 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.462 8.029 -8.050 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -9.336 8.960 -7.641 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.006 10.086 -7.826 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -7.587 7.955 -11.163 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -6.862 7.599 -9.592 1.00 1.00 H new ATOM 835 N VAL A 56 -5.773 8.421 -5.706 1.00 1.00 N ATOM 836 CA VAL A 56 -5.329 8.765 -4.358 1.00 1.00 C ATOM 837 C VAL A 56 -4.336 9.926 -4.393 1.00 1.00 C ATOM 838 O VAL A 56 -3.389 9.921 -5.179 1.00 1.00 O ATOM 839 CB VAL A 56 -4.673 7.545 -3.697 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.293 7.298 -4.315 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.517 7.799 -2.192 1.00 1.00 C ATOM 0 H VAL A 56 -5.020 8.183 -6.351 1.00 1.00 H new ATOM 0 HA VAL A 56 -6.200 9.070 -3.778 1.00 1.00 H new ATOM 0 HB VAL A 56 -5.303 6.670 -3.858 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.832 6.431 -3.842 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.401 7.114 -5.384 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -2.663 8.174 -4.160 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -4.051 6.932 -1.723 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -3.891 8.677 -2.034 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.498 7.968 -1.748 1.00 1.00 H new ATOM 851 N ASP A 57 -4.559 10.914 -3.532 1.00 1.00 N ATOM 852 CA ASP A 57 -3.675 12.073 -3.466 1.00 1.00 C ATOM 853 C ASP A 57 -2.516 11.807 -2.510 1.00 1.00 C ATOM 854 O ASP A 57 -2.588 10.914 -1.665 1.00 1.00 O ATOM 855 CB ASP A 57 -4.457 13.298 -2.998 1.00 1.00 C ATOM 856 CG ASP A 57 -3.611 14.552 -3.178 1.00 1.00 C ATOM 857 OD1 ASP A 57 -2.595 14.466 -3.846 1.00 1.00 O ATOM 858 OD2 ASP A 57 -3.994 15.584 -2.650 1.00 1.00 O ATOM 0 H ASP A 57 -5.339 10.936 -2.875 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.273 12.260 -4.462 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.383 13.388 -3.566 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.736 13.184 -1.950 1.00 1.00 H new ATOM 863 N GLU A 58 -1.452 12.589 -2.647 1.00 1.00 N ATOM 864 CA GLU A 58 -0.283 12.434 -1.789 1.00 1.00 C ATOM 865 C GLU A 58 -0.641 12.741 -0.339 1.00 1.00 C ATOM 866 O GLU A 58 -0.057 12.177 0.587 1.00 1.00 O ATOM 867 CB GLU A 58 0.832 13.377 -2.256 1.00 1.00 C ATOM 868 CG GLU A 58 0.365 14.831 -2.134 1.00 1.00 C ATOM 869 CD GLU A 58 1.441 15.770 -2.668 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.606 15.426 -2.560 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.081 16.815 -3.185 1.00 1.00 O ATOM 0 H GLU A 58 -1.374 13.333 -3.340 1.00 1.00 H new ATOM 0 HA GLU A 58 0.063 11.402 -1.854 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.728 13.221 -1.655 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.099 13.156 -3.290 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.561 14.972 -2.691 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.150 15.066 -1.092 1.00 1.00 H new ATOM 878 N ASP A 59 -1.600 13.641 -0.149 1.00 1.00 N ATOM 879 CA ASP A 59 -2.023 14.017 1.194 1.00 1.00 C ATOM 880 C ASP A 59 -2.682 12.839 1.894 1.00 1.00 C ATOM 881 O ASP A 59 -2.745 12.788 3.124 1.00 1.00 O ATOM 882 CB ASP A 59 -3.008 15.189 1.126 1.00 1.00 C ATOM 883 CG ASP A 59 -2.266 16.481 0.795 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.048 16.479 0.869 1.00 1.00 O ATOM 885 OD2 ASP A 59 -2.927 17.454 0.474 1.00 1.00 O ATOM 0 H ASP A 59 -2.095 14.120 -0.901 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.142 14.317 1.761 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.767 14.992 0.369 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.528 15.293 2.079 1.00 1.00 H new ATOM 890 N LYS A 60 -3.177 11.890 1.107 1.00 1.00 N ATOM 891 CA LYS A 60 -3.832 10.710 1.665 1.00 1.00 C ATOM 892 C LYS A 60 -2.830 9.576 1.841 1.00 1.00 C ATOM 893 O LYS A 60 -3.055 8.650 2.620 1.00 1.00 O ATOM 894 CB LYS A 60 -4.969 10.251 0.745 1.00 1.00 C ATOM 895 CG LYS A 60 -5.963 9.382 1.537 1.00 1.00 C ATOM 896 CD LYS A 60 -7.016 10.272 2.205 1.00 1.00 C ATOM 897 CE LYS A 60 -8.000 9.403 2.981 1.00 1.00 C ATOM 898 NZ LYS A 60 -9.015 10.276 3.632 1.00 1.00 N ATOM 0 H LYS A 60 -3.138 11.913 0.088 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.242 10.975 2.640 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.482 11.117 0.326 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.564 9.684 -0.093 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.447 8.668 0.870 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -5.432 8.803 2.292 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.534 10.982 2.877 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.545 10.855 1.451 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.488 8.696 2.310 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.472 8.816 3.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.689 9.688 4.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.541 10.933 4.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.525 10.817 2.905 1.00 1.00 H new ATOM 912 N ALA A 61 -1.724 9.649 1.102 1.00 1.00 N ATOM 913 CA ALA A 61 -0.685 8.621 1.173 1.00 1.00 C ATOM 914 C ALA A 61 0.599 9.198 1.749 1.00 1.00 C ATOM 915 O ALA A 61 1.688 8.949 1.232 1.00 1.00 O ATOM 916 CB ALA A 61 -0.409 8.065 -0.224 1.00 1.00 C ATOM 0 H ALA A 61 -1.524 10.407 0.449 1.00 1.00 H new ATOM 0 HA ALA A 61 -1.036 7.820 1.824 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.365 7.300 -0.165 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.322 7.627 -0.628 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -0.074 8.871 -0.877 1.00 1.00 H new ATOM 922 N GLN A 62 0.469 9.979 2.822 1.00 1.00 N ATOM 923 CA GLN A 62 1.631 10.598 3.469 1.00 1.00 C ATOM 924 C GLN A 62 1.784 10.099 4.901 1.00 1.00 C ATOM 925 O GLN A 62 2.900 9.925 5.393 1.00 1.00 O ATOM 926 CB GLN A 62 1.473 12.119 3.472 1.00 1.00 C ATOM 927 CG GLN A 62 0.202 12.503 4.230 1.00 1.00 C ATOM 928 CD GLN A 62 -0.024 14.008 4.135 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.607 14.682 3.320 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.898 14.577 4.919 1.00 1.00 N ATOM 0 H GLN A 62 -0.425 10.199 3.262 1.00 1.00 H new ATOM 0 HA GLN A 62 2.524 10.323 2.907 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.341 12.584 3.939 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.424 12.491 2.449 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.654 11.971 3.815 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.287 12.204 5.275 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.419 14.017 5.593 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.060 15.582 4.858 1.00 1.00 H new ATOM 939 N ASP A 63 0.656 9.878 5.573 1.00 1.00 N ATOM 940 CA ASP A 63 0.667 9.407 6.960 1.00 1.00 C ATOM 941 C ASP A 63 -0.228 8.184 7.128 1.00 1.00 C ATOM 942 O ASP A 63 -0.994 8.087 8.088 1.00 1.00 O ATOM 943 CB ASP A 63 0.185 10.522 7.887 1.00 1.00 C ATOM 944 CG ASP A 63 -1.250 10.905 7.550 1.00 1.00 C ATOM 945 OD1 ASP A 63 -1.768 10.391 6.571 1.00 1.00 O ATOM 946 OD2 ASP A 63 -1.815 11.707 8.276 1.00 1.00 O ATOM 0 H ASP A 63 -0.276 10.017 5.182 1.00 1.00 H new ATOM 0 HA ASP A 63 1.688 9.127 7.218 1.00 1.00 H new ATOM 0 HB2 ASP A 63 0.247 10.194 8.925 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.834 11.392 7.788 1.00 1.00 H new ATOM 951 N ILE A 64 -0.119 7.245 6.190 1.00 1.00 N ATOM 952 CA ILE A 64 -0.916 6.021 6.242 1.00 1.00 C ATOM 953 C ILE A 64 -0.191 4.945 7.036 1.00 1.00 C ATOM 954 O ILE A 64 0.970 4.626 6.768 1.00 1.00 O ATOM 955 CB ILE A 64 -1.194 5.517 4.828 1.00 1.00 C ATOM 956 CG1 ILE A 64 -2.018 6.564 4.065 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.959 4.194 4.887 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.374 6.824 4.752 1.00 1.00 C ATOM 0 H ILE A 64 0.510 7.307 5.389 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.861 6.246 6.737 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.249 5.354 4.311 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.456 7.496 4.002 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.186 6.223 3.043 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.154 3.841 3.874 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.364 3.453 5.422 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.905 4.344 5.407 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.932 7.570 4.186 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.946 5.897 4.792 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -3.205 7.189 5.765 1.00 1.00 H new ATOM 970 N SER A 65 -0.894 4.387 8.011 1.00 1.00 N ATOM 971 CA SER A 65 -0.332 3.336 8.848 1.00 1.00 C ATOM 972 C SER A 65 0.085 2.158 7.977 1.00 1.00 C ATOM 973 O SER A 65 0.124 2.269 6.751 1.00 1.00 O ATOM 974 CB SER A 65 -1.353 2.875 9.900 1.00 1.00 C ATOM 975 OG SER A 65 -1.880 1.609 9.530 1.00 1.00 O ATOM 0 H SER A 65 -1.854 4.644 8.242 1.00 1.00 H new ATOM 0 HA SER A 65 0.541 3.731 9.367 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.878 2.810 10.879 1.00 1.00 H new ATOM 0 HB3 SER A 65 -2.158 3.605 9.984 1.00 1.00 H new ATOM 0 HG SER A 65 -2.266 1.173 10.318 1.00 1.00 H new ATOM 981 N THR A 66 0.408 1.045 8.622 1.00 1.00 N ATOM 982 CA THR A 66 0.820 -0.161 7.915 1.00 1.00 C ATOM 983 C THR A 66 -0.143 -0.469 6.772 1.00 1.00 C ATOM 984 O THR A 66 -1.028 0.321 6.450 1.00 1.00 O ATOM 985 CB THR A 66 0.853 -1.352 8.878 1.00 1.00 C ATOM 986 OG1 THR A 66 1.041 -2.554 8.143 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.459 -1.437 9.665 1.00 1.00 C ATOM 0 H THR A 66 0.393 0.952 9.638 1.00 1.00 H new ATOM 0 HA THR A 66 1.817 0.009 7.508 1.00 1.00 H new ATOM 0 HB THR A 66 1.678 -1.215 9.577 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.271 -3.144 8.279 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.421 -2.288 10.345 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.600 -0.521 10.238 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.291 -1.563 8.972 1.00 1.00 H new ATOM 995 N ILE A 67 0.031 -1.632 6.161 1.00 1.00 N ATOM 996 CA ILE A 67 -0.826 -2.029 5.053 1.00 1.00 C ATOM 997 C ILE A 67 -2.285 -2.103 5.495 1.00 1.00 C ATOM 998 O ILE A 67 -3.181 -1.675 4.771 1.00 1.00 O ATOM 999 CB ILE A 67 -0.381 -3.390 4.522 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.980 -3.253 3.829 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.410 -3.923 3.523 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.600 -4.642 3.631 1.00 1.00 C ATOM 0 H ILE A 67 0.750 -2.311 6.410 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.741 -1.281 4.265 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.297 -4.086 5.356 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.860 -2.757 2.866 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.643 -2.630 4.429 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.085 -4.894 3.149 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.376 -4.029 4.017 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.503 -3.226 2.690 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.567 -4.542 3.138 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.735 -5.122 4.600 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.939 -5.251 3.013 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.517 -2.655 6.678 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.879 -2.786 7.190 1.00 1.00 C ATOM 1016 C GLN A 68 -4.692 -1.516 6.924 1.00 1.00 C ATOM 1017 O GLN A 68 -5.758 -1.574 6.310 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.842 -3.056 8.699 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.428 -4.505 8.954 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.602 -5.436 8.657 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.525 -5.546 9.466 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.635 -6.097 7.535 1.00 1.00 N ATOM 0 H GLN A 68 -1.791 -3.016 7.297 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.356 -3.619 6.674 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.140 -2.377 9.182 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.822 -2.866 9.136 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.576 -4.766 8.326 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.109 -4.625 9.989 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.870 -6.005 6.866 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.426 -6.707 7.325 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.194 -0.376 7.392 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.894 0.883 7.201 1.00 1.00 C ATOM 1033 C GLN A 69 -4.981 1.243 5.723 1.00 1.00 C ATOM 1034 O GLN A 69 -6.022 1.692 5.246 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.162 1.988 7.956 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.936 3.284 7.825 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.383 4.331 8.790 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -4.426 4.136 10.006 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.852 5.427 8.322 1.00 1.00 N ATOM 0 H GLN A 69 -3.314 -0.301 7.903 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.908 0.777 7.586 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -4.058 1.718 9.007 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.155 2.111 7.557 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.871 3.653 6.801 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -5.991 3.108 8.034 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.817 5.587 7.315 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.472 6.124 8.963 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.884 1.045 5.006 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.854 1.361 3.583 1.00 1.00 C ATOM 1050 C ALA A 70 -4.962 0.623 2.850 1.00 1.00 C ATOM 1051 O ALA A 70 -5.610 1.178 1.963 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.502 0.975 2.989 1.00 1.00 C ATOM 0 H ALA A 70 -3.012 0.671 5.380 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.007 2.434 3.466 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.490 1.215 1.926 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.711 1.528 3.495 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.338 -0.094 3.121 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.178 -0.629 3.223 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.214 -1.425 2.591 1.00 1.00 C ATOM 1060 C ALA A 71 -7.586 -0.803 2.829 1.00 1.00 C ATOM 1061 O ALA A 71 -8.423 -0.765 1.932 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.191 -2.838 3.166 1.00 1.00 C ATOM 0 H ALA A 71 -4.654 -1.111 3.954 1.00 1.00 H new ATOM 0 HA ALA A 71 -6.025 -1.458 1.518 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.969 -3.436 2.692 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.218 -3.292 2.977 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.370 -2.797 4.240 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.812 -0.321 4.047 1.00 1.00 N ATOM 1069 CA ASP A 72 -9.091 0.291 4.385 1.00 1.00 C ATOM 1070 C ASP A 72 -9.279 1.596 3.611 1.00 1.00 C ATOM 1071 O ASP A 72 -10.367 1.882 3.112 1.00 1.00 O ATOM 1072 CB ASP A 72 -9.150 0.577 5.898 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.610 -0.658 6.664 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.739 -1.074 6.455 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.820 -1.183 7.428 1.00 1.00 O ATOM 0 H ASP A 72 -7.134 -0.342 4.809 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.889 -0.399 4.113 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.167 0.886 6.253 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.833 1.405 6.090 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.212 2.386 3.521 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.278 3.660 2.815 1.00 1.00 C ATOM 1082 C VAL A 73 -8.584 3.441 1.338 1.00 1.00 C ATOM 1083 O VAL A 73 -9.405 4.144 0.752 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.952 4.410 2.963 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.972 5.669 2.093 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.753 4.809 4.429 1.00 1.00 C ATOM 0 H VAL A 73 -7.301 2.169 3.924 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.080 4.255 3.253 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.134 3.763 2.645 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -6.027 6.201 2.201 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.113 5.388 1.049 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.790 6.316 2.409 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.809 5.343 4.536 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.573 5.454 4.745 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.736 3.914 5.051 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.917 2.460 0.744 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.121 2.161 -0.670 1.00 1.00 C ATOM 1098 C ILE A 74 -9.563 1.721 -0.918 1.00 1.00 C ATOM 1099 O ILE A 74 -10.189 2.149 -1.886 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.147 1.054 -1.111 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.757 1.660 -1.342 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.644 0.391 -2.406 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.701 0.555 -1.323 1.00 1.00 C ATOM 0 H ILE A 74 -7.236 1.862 1.213 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.929 3.061 -1.253 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.092 0.297 -0.328 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.732 2.183 -2.298 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.539 2.398 -0.570 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.945 -0.390 -2.706 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.627 -0.047 -2.236 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.712 1.140 -3.195 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.715 0.991 -1.488 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.718 0.052 -0.356 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.915 -0.166 -2.112 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.075 0.862 -0.050 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.436 0.367 -0.200 1.00 1.00 C ATOM 1117 C GLU A 75 -12.398 1.522 -0.438 1.00 1.00 C ATOM 1118 O GLU A 75 -13.294 1.432 -1.276 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.841 -0.408 1.054 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.197 -1.798 1.025 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.946 -2.698 0.049 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -13.138 -2.881 0.239 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.321 -3.187 -0.875 1.00 1.00 O ATOM 0 H GLU A 75 -9.574 0.495 0.759 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.478 -0.299 -1.062 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.525 0.132 1.946 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.926 -0.499 1.104 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.151 -1.717 0.729 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.213 -2.236 2.023 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.204 2.607 0.299 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.058 3.779 0.153 1.00 1.00 C ATOM 1132 C GLY A 76 -12.884 4.412 -1.220 1.00 1.00 C ATOM 1133 O GLY A 76 -13.821 4.989 -1.772 1.00 1.00 O ATOM 0 H GLY A 76 -11.468 2.701 0.999 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.100 3.494 0.297 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.817 4.508 0.927 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.677 4.307 -1.765 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.386 4.881 -3.078 1.00 1.00 C ATOM 1139 C LEU A 77 -11.890 3.968 -4.184 1.00 1.00 C ATOM 1140 O LEU A 77 -11.924 4.349 -5.350 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.874 5.097 -3.225 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.423 6.217 -2.276 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.896 6.229 -2.195 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.921 7.585 -2.786 1.00 1.00 C ATOM 0 H LEU A 77 -10.888 3.834 -1.324 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.898 5.840 -3.162 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.340 4.175 -2.996 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.632 5.359 -4.255 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.845 6.034 -1.288 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.574 7.023 -1.522 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.544 5.269 -1.818 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.480 6.403 -3.187 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.594 8.369 -2.103 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.512 7.774 -3.778 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -11.010 7.580 -2.837 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.289 2.760 -3.812 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.804 1.798 -4.784 1.00 1.00 C ATOM 1158 C LEU A 78 -14.320 1.877 -4.863 1.00 1.00 C ATOM 1159 O LEU A 78 -14.936 1.304 -5.763 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.380 0.382 -4.382 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.936 0.108 -4.835 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.373 -1.097 -4.079 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.896 -0.190 -6.347 1.00 1.00 C ATOM 0 H LEU A 78 -12.268 2.421 -2.850 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.392 2.038 -5.764 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.458 0.265 -3.301 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.054 -0.348 -4.831 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.335 0.993 -4.623 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.350 -1.285 -4.405 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.381 -0.891 -3.009 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -10.986 -1.974 -4.284 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.868 -0.382 -6.653 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.508 -1.066 -6.561 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.284 0.667 -6.897 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.919 2.571 -3.916 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.366 2.694 -3.890 1.00 1.00 C ATOM 1177 C GLU A 79 -16.874 3.456 -5.103 1.00 1.00 C ATOM 1178 O GLU A 79 -17.729 2.977 -5.846 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.800 3.426 -2.620 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.505 2.550 -1.407 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.952 3.248 -0.127 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.476 4.344 -0.221 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.765 2.672 0.934 1.00 1.00 O ATOM 0 H GLU A 79 -14.434 3.055 -3.160 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.790 1.690 -3.907 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.271 4.375 -2.535 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.864 3.657 -2.666 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -17.020 1.594 -1.507 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.438 2.334 -1.357 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.352 4.663 -5.284 1.00 1.00 N ATOM 1191 CA LYS A 80 -16.772 5.534 -6.393 1.00 1.00 C ATOM 1192 C LYS A 80 -15.569 5.959 -7.232 1.00 1.00 C ATOM 1193 O LYS A 80 -15.705 6.300 -8.408 1.00 1.00 O ATOM 1194 CB LYS A 80 -17.513 6.784 -5.841 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.242 6.966 -4.338 1.00 1.00 C ATOM 1196 CD LYS A 80 -15.845 7.549 -4.136 1.00 1.00 C ATOM 1197 CE LYS A 80 -15.534 7.618 -2.648 1.00 1.00 C ATOM 1198 NZ LYS A 80 -16.482 8.562 -1.996 1.00 1.00 N ATOM 0 H LYS A 80 -15.636 5.068 -4.681 1.00 1.00 H new ATOM 0 HA LYS A 80 -17.454 4.973 -7.032 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -17.189 7.672 -6.383 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -18.585 6.681 -6.011 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.990 7.628 -3.901 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -17.325 6.008 -3.825 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -15.105 6.932 -4.645 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.787 8.544 -4.577 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -15.621 6.628 -2.199 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -14.507 7.949 -2.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -16.112 8.838 -1.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -16.592 9.409 -2.589 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -17.406 8.100 -1.878 1.00 1.00 H new ATOM 1212 N LYS A 81 -14.398 5.942 -6.618 1.00 1.00 N ATOM 1213 CA LYS A 81 -13.167 6.333 -7.304 1.00 1.00 C ATOM 1214 C LYS A 81 -12.424 5.106 -7.799 1.00 1.00 C ATOM 1215 O LYS A 81 -11.240 4.927 -7.520 1.00 1.00 O ATOM 1216 CB LYS A 81 -12.271 7.140 -6.359 1.00 1.00 C ATOM 1217 CG LYS A 81 -12.840 8.548 -6.197 1.00 1.00 C ATOM 1218 CD LYS A 81 -11.981 9.331 -5.202 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.606 10.701 -4.941 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.505 11.538 -6.170 1.00 1.00 N ATOM 0 H LYS A 81 -14.268 5.662 -5.646 1.00 1.00 H new ATOM 0 HA LYS A 81 -13.430 6.953 -8.161 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -12.210 6.647 -5.389 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -11.257 7.189 -6.756 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -12.857 9.058 -7.160 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -13.870 8.498 -5.844 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -11.895 8.777 -4.267 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -10.972 9.451 -5.595 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -13.651 10.586 -4.652 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -12.097 11.192 -4.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -12.740 12.524 -5.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.535 11.491 -6.543 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -13.169 11.183 -6.887 1.00 1.00 H new ATOM 1234 N ALA A 82 -13.131 4.264 -8.541 1.00 1.00 N ATOM 1235 CA ALA A 82 -12.528 3.049 -9.081 1.00 1.00 C ATOM 1236 C ALA A 82 -11.674 3.371 -10.304 1.00 1.00 C ATOM 1237 O ALA A 82 -11.494 2.488 -11.124 1.00 1.00 O ATOM 1238 CB ALA A 82 -13.614 2.042 -9.463 1.00 1.00 C ATOM 1239 OXT ALA A 82 -11.212 4.496 -10.400 1.00 1.00 O ATOM 0 H ALA A 82 -14.113 4.396 -8.782 1.00 1.00 H new ATOM 0 HA ALA A 82 -11.891 2.614 -8.311 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -13.150 1.141 -9.864 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -14.200 1.786 -8.580 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -14.267 2.480 -10.217 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 13.367 5.728 2.991 1.00 1.00 O HETATM 1247 P24 PNS A 101 12.727 7.193 3.184 1.00 1.00 P HETATM 1248 O25 PNS A 101 13.242 8.068 2.109 1.00 1.00 O HETATM 1249 O26 PNS A 101 11.269 7.040 3.378 1.00 1.00 O HETATM 1250 O27 PNS A 101 13.371 7.675 4.580 1.00 1.00 O HETATM 1251 C28 PNS A 101 14.680 8.228 4.614 1.00 1.00 C HETATM 1252 C29 PNS A 101 14.899 8.930 5.959 1.00 1.00 C HETATM 1253 C30 PNS A 101 16.236 9.669 5.949 1.00 1.00 C HETATM 1254 C31 PNS A 101 14.894 7.879 7.078 1.00 1.00 C HETATM 1255 C32 PNS A 101 13.789 9.949 6.197 1.00 1.00 C HETATM 1256 O33 PNS A 101 13.978 10.527 7.476 1.00 1.00 O HETATM 1257 C34 PNS A 101 13.828 11.039 5.129 1.00 1.00 C HETATM 1258 O35 PNS A 101 13.300 10.866 4.031 1.00 1.00 O HETATM 1259 N36 PNS A 101 14.460 12.160 5.460 1.00 1.00 N HETATM 1260 C37 PNS A 101 14.565 13.270 4.521 1.00 1.00 C HETATM 1261 C38 PNS A 101 14.936 14.555 5.261 1.00 1.00 C HETATM 1262 C39 PNS A 101 14.036 14.734 6.478 1.00 1.00 C HETATM 1263 O40 PNS A 101 14.518 14.950 7.591 1.00 1.00 O HETATM 1264 N41 PNS A 101 12.730 14.644 6.262 1.00 1.00 N HETATM 1265 C42 PNS A 101 11.772 14.797 7.350 1.00 1.00 C HETATM 1266 C43 PNS A 101 10.363 15.002 6.789 1.00 1.00 C HETATM 1267 S44 PNS A 101 10.151 13.980 5.335 1.00 1.00 S HETATM 0 H432 PNS A 101 9.618 14.743 7.542 1.00 1.00 H new HETATM 0 H431 PNS A 101 10.209 16.051 6.536 1.00 1.00 H new HETATM 0 H422 PNS A 101 12.051 15.647 7.973 1.00 1.00 H new HETATM 0 H421 PNS A 101 11.792 13.914 7.989 1.00 1.00 H new HETATM 0 H382 PNS A 101 14.834 15.411 4.594 1.00 1.00 H new HETATM 0 H381 PNS A 101 15.980 14.516 5.573 1.00 1.00 H new HETATM 0 H372 PNS A 101 13.618 13.404 3.998 1.00 1.00 H new HETATM 0 H371 PNS A 101 15.318 13.047 3.765 1.00 1.00 H new HETATM 0 H313 PNS A 101 15.049 8.370 8.039 1.00 1.00 H new HETATM 0 H312 PNS A 101 15.694 7.159 6.905 1.00 1.00 H new HETATM 0 H311 PNS A 101 13.935 7.361 7.086 1.00 1.00 H new HETATM 0 H303 PNS A 101 16.385 10.165 6.908 1.00 1.00 H new HETATM 0 H302 PNS A 101 16.235 10.413 5.152 1.00 1.00 H new HETATM 0 H301 PNS A 101 17.044 8.957 5.780 1.00 1.00 H new HETATM 0 H282 PNS A 101 14.809 8.936 3.796 1.00 1.00 H new HETATM 0 H281 PNS A 101 15.423 7.442 4.476 1.00 1.00 H new HETATM 0 H41 PNS A 101 12.390 14.464 5.317 1.00 1.00 H new HETATM 0 H36 PNS A 101 14.879 12.245 6.386 1.00 1.00 H new HETATM 0 H33 PNS A 101 13.273 11.187 7.644 1.00 1.00 H new HETATM 0 H32 PNS A 101 12.820 9.453 6.145 1.00 1.00 H new HETATM 1288 C1 STE A 102 9.023 12.666 5.486 1.00 1.00 C HETATM 1289 O1 STE A 102 8.405 12.433 6.499 1.00 1.00 O HETATM 1290 C2 STE A 102 8.923 11.874 4.216 1.00 1.00 C HETATM 1291 C3 STE A 102 8.395 10.471 4.519 1.00 1.00 C HETATM 1292 C4 STE A 102 8.341 9.657 3.225 1.00 1.00 C HETATM 1293 C5 STE A 102 8.128 8.181 3.561 1.00 1.00 C HETATM 1294 C6 STE A 102 6.862 8.022 4.408 1.00 1.00 C HETATM 1295 C7 STE A 102 6.393 6.572 4.358 1.00 1.00 C HETATM 1296 C8 STE A 102 5.105 6.423 5.173 1.00 1.00 C HETATM 1297 C9 STE A 102 4.565 4.986 5.040 1.00 1.00 C HETATM 1298 C10 STE A 102 3.631 4.893 3.830 1.00 1.00 C HETATM 1299 C11 STE A 102 3.299 3.428 3.547 1.00 1.00 C HETATM 1300 C12 STE A 102 2.617 3.307 2.182 1.00 1.00 C HETATM 1301 C13 STE A 102 1.214 3.913 2.249 1.00 1.00 C HETATM 1302 C14 STE A 102 0.421 3.491 1.016 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.839 4.351 0.911 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.788 3.736 -0.114 1.00 1.00 C HETATM 1305 C17 STE A 102 -3.073 4.567 -0.201 1.00 1.00 C HETATM 1306 C18 STE A 102 -3.794 4.264 -1.519 1.00 1.00 C HETATM 0 H183 STE A 102 -3.143 4.516 -2.356 1.00 1.00 H new HETATM 0 H182 STE A 102 -4.045 3.204 -1.561 1.00 1.00 H new HETATM 0 H181 STE A 102 -4.707 4.856 -1.579 1.00 1.00 H new HETATM 0 H172 STE A 102 -3.724 4.337 0.642 1.00 1.00 H new HETATM 0 H171 STE A 102 -2.836 5.629 -0.141 1.00 1.00 H new HETATM 0 H162 STE A 102 -1.305 3.694 -1.090 1.00 1.00 H new HETATM 0 H161 STE A 102 -2.026 2.710 0.168 1.00 1.00 H new HETATM 0 H152 STE A 102 -1.329 4.418 1.882 1.00 1.00 H new HETATM 0 H151 STE A 102 -0.576 5.367 0.616 1.00 1.00 H new HETATM 0 H142 STE A 102 1.030 3.606 0.120 1.00 1.00 H new HETATM 0 H141 STE A 102 0.152 2.437 1.085 1.00 1.00 H new HETATM 0 H132 STE A 102 0.705 3.581 3.154 1.00 1.00 H new HETATM 0 H131 STE A 102 1.277 5.000 2.300 1.00 1.00 H new HETATM 0 H122 STE A 102 3.208 3.819 1.423 1.00 1.00 H new HETATM 0 H121 STE A 102 2.557 2.260 1.887 1.00 1.00 H new HETATM 0 H112 STE A 102 4.210 2.829 3.563 1.00 1.00 H new HETATM 0 H111 STE A 102 2.646 3.036 4.327 1.00 1.00 H new HETATM 0 H102 STE A 102 2.716 5.453 4.021 1.00 1.00 H new HETATM 0 H101 STE A 102 4.104 5.344 2.958 1.00 1.00 H new HETATM 0 H92 STE A 102 5.393 4.286 4.927 1.00 1.00 H new HETATM 0 H91 STE A 102 4.030 4.703 5.947 1.00 1.00 H new HETATM 0 H82 STE A 102 5.298 6.653 6.221 1.00 1.00 H new HETATM 0 H81 STE A 102 4.358 7.136 4.823 1.00 1.00 H new HETATM 0 H72 STE A 102 6.219 6.270 3.325 1.00 1.00 H new HETATM 0 H71 STE A 102 7.166 5.915 4.756 1.00 1.00 H new HETATM 0 H62 STE A 102 7.062 8.315 5.439 1.00 1.00 H new HETATM 0 H61 STE A 102 6.078 8.682 4.036 1.00 1.00 H new HETATM 0 H52 STE A 102 8.039 7.598 2.644 1.00 1.00 H new HETATM 0 H51 STE A 102 8.991 7.793 4.103 1.00 1.00 H new HETATM 0 H42 STE A 102 7.532 10.017 2.590 1.00 1.00 H new HETATM 0 H41 STE A 102 9.267 9.784 2.664 1.00 1.00 H new HETATM 0 H32 STE A 102 9.040 9.977 5.246 1.00 1.00 H new HETATM 0 H31 STE A 102 7.402 10.533 4.964 1.00 1.00 H new HETATM 0 H22 STE A 102 8.259 12.378 3.514 1.00 1.00 H new HETATM 0 H21 STE A 102 9.901 11.809 3.739 1.00 1.00 H new