USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 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+ -121:sc= -10.5! (180deg=-5.02!) USER MOD Set 1.2: A 47 ASN : amide:sc= -10.2! C(o=-21!,f=-11!) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.163 (180deg=0) 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+ -104:sc= 0.453 (180deg=0.00977) USER MOD Single : A 10 SER OG : rot 77:sc= -3.05! USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= 0.0484 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -1.52 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.044 (180deg=-0.43) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00881 USER MOD Single : A 46 MET CE :methyl -156:sc= -0.219 (180deg=-1.4) USER MOD Single : A 55 ASN : amide:sc= 0.0514 K(o=0.051,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -10.3! (180deg=-10.8!) USER MOD Single : A 62 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -111:sc= 1.19 USER MOD Single : A 68 GLN : amide:sc= -4.33! K(o=-4.3!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.3) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0311 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.202 -4.295 6.804 1.00 1.00 N ATOM 2 CA ALA A 1 -9.470 -4.416 5.346 1.00 1.00 C ATOM 3 C ALA A 1 -9.696 -5.888 4.995 1.00 1.00 C ATOM 4 O ALA A 1 -9.513 -6.770 5.832 1.00 1.00 O ATOM 5 CB ALA A 1 -8.278 -3.862 4.562 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.944 -3.716 7.246 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.197 -5.241 7.236 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.277 -3.843 6.951 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.361 -3.846 5.084 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.473 -3.950 3.493 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.130 -2.813 4.819 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.381 -4.428 4.815 1.00 1.00 H new ATOM 13 N LYS A 2 -10.095 -6.139 3.754 1.00 1.00 N ATOM 14 CA LYS A 2 -10.345 -7.496 3.293 1.00 1.00 C ATOM 15 C LYS A 2 -9.037 -8.192 2.955 1.00 1.00 C ATOM 16 O LYS A 2 -8.058 -7.549 2.585 1.00 1.00 O ATOM 17 CB LYS A 2 -11.248 -7.463 2.057 1.00 1.00 C ATOM 18 CG LYS A 2 -12.618 -6.858 2.410 1.00 1.00 C ATOM 19 CD LYS A 2 -13.509 -7.912 3.081 1.00 1.00 C ATOM 20 CE LYS A 2 -14.877 -7.305 3.380 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.752 -8.352 3.974 1.00 1.00 N ATOM 0 H LYS A 2 -10.252 -5.419 3.049 1.00 1.00 H new ATOM 0 HA LYS A 2 -10.840 -8.051 4.090 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.776 -6.876 1.269 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.379 -8.472 1.667 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -12.486 -6.006 3.077 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.102 -6.484 1.507 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.618 -8.779 2.430 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.045 -8.262 4.003 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -14.774 -6.466 4.068 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.324 -6.915 2.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.687 -7.947 4.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.857 -9.139 3.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.324 -8.703 4.855 1.00 1.00 H new ATOM 35 N LYS A 3 -9.027 -9.508 3.089 1.00 1.00 N ATOM 36 CA LYS A 3 -7.829 -10.283 2.809 1.00 1.00 C ATOM 37 C LYS A 3 -7.405 -10.112 1.355 1.00 1.00 C ATOM 38 O LYS A 3 -6.217 -10.017 1.052 1.00 1.00 O ATOM 39 CB LYS A 3 -8.090 -11.760 3.085 1.00 1.00 C ATOM 40 CG LYS A 3 -8.388 -11.961 4.573 1.00 1.00 C ATOM 41 CD LYS A 3 -8.486 -13.459 4.884 1.00 1.00 C ATOM 42 CE LYS A 3 -9.689 -14.070 4.156 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.042 -15.373 4.788 1.00 1.00 N ATOM 0 H LYS A 3 -9.831 -10.060 3.388 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.030 -9.922 3.456 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -8.931 -12.109 2.485 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.223 -12.353 2.794 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.602 -11.506 5.176 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.321 -11.463 4.837 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.570 -13.963 4.576 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.587 -13.610 5.959 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.539 -13.389 4.201 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.454 -14.217 3.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -10.858 -15.788 4.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.231 -16.021 4.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.283 -15.220 5.788 1.00 1.00 H new ATOM 57 N GLU A 4 -8.382 -10.079 0.458 1.00 1.00 N ATOM 58 CA GLU A 4 -8.091 -9.927 -0.959 1.00 1.00 C ATOM 59 C GLU A 4 -7.282 -8.654 -1.205 1.00 1.00 C ATOM 60 O GLU A 4 -6.293 -8.668 -1.939 1.00 1.00 O ATOM 61 CB GLU A 4 -9.403 -9.865 -1.752 1.00 1.00 C ATOM 62 CG GLU A 4 -10.158 -8.578 -1.405 1.00 1.00 C ATOM 63 CD GLU A 4 -11.606 -8.678 -1.871 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.172 -9.754 -1.764 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.133 -7.673 -2.322 1.00 1.00 O ATOM 0 H GLU A 4 -9.374 -10.155 0.685 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.505 -10.784 -1.289 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.194 -9.898 -2.821 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.020 -10.733 -1.521 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.125 -8.407 -0.329 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.674 -7.724 -1.879 1.00 1.00 H new ATOM 72 N THR A 5 -7.716 -7.554 -0.594 1.00 1.00 N ATOM 73 CA THR A 5 -7.033 -6.277 -0.757 1.00 1.00 C ATOM 74 C THR A 5 -5.666 -6.305 -0.079 1.00 1.00 C ATOM 75 O THR A 5 -4.680 -5.814 -0.623 1.00 1.00 O ATOM 76 CB THR A 5 -7.879 -5.140 -0.176 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.235 -5.324 -0.558 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.382 -3.811 -0.743 1.00 1.00 C ATOM 0 H THR A 5 -8.534 -7.523 0.015 1.00 1.00 H new ATOM 0 HA THR A 5 -6.890 -6.103 -1.824 1.00 1.00 H new ATOM 0 HB THR A 5 -7.797 -5.138 0.911 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.781 -4.599 -0.187 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.979 -2.995 -0.335 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.336 -3.667 -0.470 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.476 -3.821 -1.829 1.00 1.00 H new ATOM 86 N ILE A 6 -5.623 -6.881 1.118 1.00 1.00 N ATOM 87 CA ILE A 6 -4.378 -6.966 1.872 1.00 1.00 C ATOM 88 C ILE A 6 -3.330 -7.737 1.076 1.00 1.00 C ATOM 89 O ILE A 6 -2.178 -7.317 0.988 1.00 1.00 O ATOM 90 CB ILE A 6 -4.635 -7.681 3.209 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.472 -6.778 4.123 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.306 -8.021 3.893 1.00 1.00 C ATOM 93 CD1 ILE A 6 -5.957 -7.579 5.339 1.00 1.00 C ATOM 0 H ILE A 6 -6.431 -7.294 1.584 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.009 -5.958 2.059 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.178 -8.606 3.017 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -4.878 -5.925 4.451 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.325 -6.380 3.574 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.502 -8.527 4.838 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -2.721 -8.675 3.246 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -2.749 -7.103 4.081 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.551 -6.934 5.986 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.567 -8.417 5.003 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.097 -7.956 5.893 1.00 1.00 H new ATOM 105 N ASP A 7 -3.736 -8.857 0.493 1.00 1.00 N ATOM 106 CA ASP A 7 -2.816 -9.660 -0.296 1.00 1.00 C ATOM 107 C ASP A 7 -2.340 -8.883 -1.515 1.00 1.00 C ATOM 108 O ASP A 7 -1.168 -8.937 -1.882 1.00 1.00 O ATOM 109 CB ASP A 7 -3.504 -10.953 -0.738 1.00 1.00 C ATOM 110 CG ASP A 7 -3.651 -11.902 0.448 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.988 -11.679 1.447 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.426 -12.838 0.337 1.00 1.00 O ATOM 0 H ASP A 7 -4.685 -9.226 0.551 1.00 1.00 H new ATOM 0 HA ASP A 7 -1.950 -9.905 0.319 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.485 -10.727 -1.157 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -2.923 -11.432 -1.527 1.00 1.00 H new ATOM 117 N LYS A 8 -3.257 -8.159 -2.138 1.00 1.00 N ATOM 118 CA LYS A 8 -2.921 -7.374 -3.318 1.00 1.00 C ATOM 119 C LYS A 8 -1.953 -6.256 -2.965 1.00 1.00 C ATOM 120 O LYS A 8 -0.957 -6.053 -3.648 1.00 1.00 O ATOM 121 CB LYS A 8 -4.203 -6.771 -3.897 1.00 1.00 C ATOM 122 CG LYS A 8 -5.019 -7.844 -4.632 1.00 1.00 C ATOM 123 CD LYS A 8 -4.522 -8.004 -6.085 1.00 1.00 C ATOM 124 CE LYS A 8 -5.201 -6.973 -6.997 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.833 -7.249 -8.412 1.00 1.00 N ATOM 0 H LYS A 8 -4.233 -8.098 -1.850 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.445 -8.025 -4.051 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.801 -6.336 -3.096 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.953 -5.962 -4.584 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -4.936 -8.795 -4.107 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.074 -7.571 -4.631 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.440 -7.876 -6.123 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.737 -9.012 -6.441 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.283 -7.020 -6.875 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.892 -5.965 -6.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.124 -6.557 -8.728 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.438 -8.208 -8.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.680 -7.175 -9.012 1.00 1.00 H new ATOM 139 N VAL A 9 -2.248 -5.537 -1.896 1.00 1.00 N ATOM 140 CA VAL A 9 -1.384 -4.443 -1.483 1.00 1.00 C ATOM 141 C VAL A 9 0.005 -4.969 -1.158 1.00 1.00 C ATOM 142 O VAL A 9 1.011 -4.397 -1.578 1.00 1.00 O ATOM 143 CB VAL A 9 -1.979 -3.750 -0.254 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.991 -2.710 0.280 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.292 -3.058 -0.637 1.00 1.00 C ATOM 0 H VAL A 9 -3.066 -5.687 -1.305 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.307 -3.724 -2.298 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.174 -4.494 0.518 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.417 -2.219 1.155 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.059 -3.203 0.559 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.792 -1.967 -0.492 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.713 -2.566 0.240 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.100 -2.316 -1.412 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.998 -3.799 -1.011 1.00 1.00 H new ATOM 155 N SER A 10 0.053 -6.055 -0.406 1.00 1.00 N ATOM 156 CA SER A 10 1.325 -6.646 -0.029 1.00 1.00 C ATOM 157 C SER A 10 2.077 -7.136 -1.259 1.00 1.00 C ATOM 158 O SER A 10 3.291 -6.969 -1.359 1.00 1.00 O ATOM 159 CB SER A 10 1.093 -7.823 0.917 1.00 1.00 C ATOM 160 OG SER A 10 0.238 -7.412 1.970 1.00 1.00 O ATOM 0 H SER A 10 -0.768 -6.542 -0.047 1.00 1.00 H new ATOM 0 HA SER A 10 1.920 -5.882 0.471 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.648 -8.658 0.376 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.043 -8.174 1.320 1.00 1.00 H new ATOM 0 HG SER A 10 -0.686 -7.377 1.646 1.00 1.00 H new ATOM 166 N ASP A 11 1.340 -7.738 -2.193 1.00 1.00 N ATOM 167 CA ASP A 11 1.934 -8.274 -3.407 1.00 1.00 C ATOM 168 C ASP A 11 2.803 -7.217 -4.078 1.00 1.00 C ATOM 169 O ASP A 11 3.904 -7.511 -4.534 1.00 1.00 O ATOM 170 CB ASP A 11 0.817 -8.740 -4.363 1.00 1.00 C ATOM 171 CG ASP A 11 0.358 -10.162 -4.031 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.949 -10.774 -3.157 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.582 -10.616 -4.662 1.00 1.00 O ATOM 0 H ASP A 11 0.330 -7.864 -2.127 1.00 1.00 H new ATOM 0 HA ASP A 11 2.565 -9.126 -3.155 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.030 -8.057 -4.296 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.176 -8.702 -5.391 1.00 1.00 H new ATOM 178 N ILE A 12 2.316 -5.989 -4.124 1.00 1.00 N ATOM 179 CA ILE A 12 3.084 -4.921 -4.744 1.00 1.00 C ATOM 180 C ILE A 12 4.454 -4.791 -4.069 1.00 1.00 C ATOM 181 O ILE A 12 5.484 -4.769 -4.738 1.00 1.00 O ATOM 182 CB ILE A 12 2.291 -3.597 -4.634 1.00 1.00 C ATOM 183 CG1 ILE A 12 1.368 -3.414 -5.848 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.230 -2.395 -4.534 1.00 1.00 C ATOM 185 CD1 ILE A 12 0.259 -4.460 -5.834 1.00 1.00 C ATOM 0 H ILE A 12 1.410 -5.709 -3.748 1.00 1.00 H new ATOM 0 HA ILE A 12 3.249 -5.152 -5.796 1.00 1.00 H new ATOM 0 HB ILE A 12 1.691 -3.654 -3.726 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.934 -2.414 -5.836 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.946 -3.499 -6.768 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.643 -1.480 -4.458 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.859 -2.497 -3.650 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.859 -2.350 -5.423 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.387 -4.317 -6.700 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.699 -5.457 -5.869 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.329 -4.355 -4.922 1.00 1.00 H new ATOM 197 N VAL A 13 4.451 -4.706 -2.752 1.00 1.00 N ATOM 198 CA VAL A 13 5.687 -4.559 -2.005 1.00 1.00 C ATOM 199 C VAL A 13 6.615 -5.731 -2.273 1.00 1.00 C ATOM 200 O VAL A 13 7.815 -5.562 -2.453 1.00 1.00 O ATOM 201 CB VAL A 13 5.376 -4.470 -0.510 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.673 -4.254 0.265 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.417 -3.301 -0.242 1.00 1.00 C ATOM 0 H VAL A 13 3.608 -4.736 -2.178 1.00 1.00 H new ATOM 0 HA VAL A 13 6.185 -3.644 -2.326 1.00 1.00 H new ATOM 0 HB VAL A 13 4.905 -5.398 -0.186 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.454 -4.190 1.331 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.349 -5.089 0.083 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.144 -3.328 -0.065 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.201 -3.245 0.825 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.879 -2.369 -0.568 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.489 -3.458 -0.792 1.00 1.00 H new ATOM 213 N LYS A 14 6.064 -6.926 -2.290 1.00 1.00 N ATOM 214 CA LYS A 14 6.873 -8.108 -2.535 1.00 1.00 C ATOM 215 C LYS A 14 7.471 -8.074 -3.936 1.00 1.00 C ATOM 216 O LYS A 14 8.580 -8.557 -4.159 1.00 1.00 O ATOM 217 CB LYS A 14 6.021 -9.364 -2.386 1.00 1.00 C ATOM 218 CG LYS A 14 5.299 -9.350 -1.017 1.00 1.00 C ATOM 219 CD LYS A 14 5.157 -10.777 -0.437 1.00 1.00 C ATOM 220 CE LYS A 14 6.250 -11.034 0.609 1.00 1.00 C ATOM 221 NZ LYS A 14 5.824 -10.449 1.907 1.00 1.00 N ATOM 0 H LYS A 14 5.072 -7.107 -2.139 1.00 1.00 H new ATOM 0 HA LYS A 14 7.682 -8.122 -1.804 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.290 -9.416 -3.192 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.648 -10.252 -2.467 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.855 -8.725 -0.318 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.312 -8.902 -1.130 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.173 -10.897 0.017 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.230 -11.512 -1.238 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.423 -12.105 0.717 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.192 -10.590 0.287 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.523 -9.744 2.216 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.897 -9.991 1.794 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.754 -11.202 2.621 1.00 1.00 H new ATOM 235 N GLU A 15 6.723 -7.515 -4.880 1.00 1.00 N ATOM 236 CA GLU A 15 7.185 -7.438 -6.257 1.00 1.00 C ATOM 237 C GLU A 15 8.303 -6.419 -6.401 1.00 1.00 C ATOM 238 O GLU A 15 9.126 -6.510 -7.311 1.00 1.00 O ATOM 239 CB GLU A 15 6.018 -7.070 -7.180 1.00 1.00 C ATOM 240 CG GLU A 15 5.080 -8.271 -7.336 1.00 1.00 C ATOM 241 CD GLU A 15 3.860 -7.874 -8.160 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.826 -6.747 -8.628 1.00 1.00 O ATOM 243 OE2 GLU A 15 2.977 -8.703 -8.313 1.00 1.00 O ATOM 0 H GLU A 15 5.800 -7.111 -4.717 1.00 1.00 H new ATOM 0 HA GLU A 15 7.576 -8.415 -6.541 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.471 -6.221 -6.769 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.396 -6.764 -8.155 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.606 -9.093 -7.822 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.766 -8.628 -6.355 1.00 1.00 H new ATOM 250 N LYS A 16 8.324 -5.446 -5.502 1.00 1.00 N ATOM 251 CA LYS A 16 9.342 -4.408 -5.548 1.00 1.00 C ATOM 252 C LYS A 16 10.732 -5.016 -5.381 1.00 1.00 C ATOM 253 O LYS A 16 11.678 -4.608 -6.052 1.00 1.00 O ATOM 254 CB LYS A 16 9.068 -3.363 -4.443 1.00 1.00 C ATOM 255 CG LYS A 16 8.335 -2.151 -5.014 1.00 1.00 C ATOM 256 CD LYS A 16 6.945 -2.552 -5.515 1.00 1.00 C ATOM 257 CE LYS A 16 6.417 -1.497 -6.492 1.00 1.00 C ATOM 258 NZ LYS A 16 5.254 -2.064 -7.222 1.00 1.00 N ATOM 0 H LYS A 16 7.654 -5.354 -4.738 1.00 1.00 H new ATOM 0 HA LYS A 16 9.304 -3.914 -6.519 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.472 -3.814 -3.649 1.00 1.00 H new ATOM 0 HB3 LYS A 16 10.009 -3.046 -3.994 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.244 -1.380 -4.249 1.00 1.00 H new ATOM 0 HG3 LYS A 16 8.913 -1.721 -5.832 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.993 -3.524 -6.007 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.261 -2.654 -4.672 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.122 -0.597 -5.953 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.199 -1.207 -7.194 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.448 -2.057 -8.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 5.090 -3.042 -6.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 4.408 -1.491 -7.027 1.00 1.00 H new ATOM 272 N LEU A 17 10.856 -5.987 -4.480 1.00 1.00 N ATOM 273 CA LEU A 17 12.137 -6.632 -4.229 1.00 1.00 C ATOM 274 C LEU A 17 12.126 -8.048 -4.788 1.00 1.00 C ATOM 275 O LEU A 17 13.071 -8.806 -4.582 1.00 1.00 O ATOM 276 CB LEU A 17 12.412 -6.664 -2.716 1.00 1.00 C ATOM 277 CG LEU A 17 11.078 -6.755 -1.937 1.00 1.00 C ATOM 278 CD1 LEU A 17 11.298 -7.519 -0.636 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.546 -5.351 -1.606 1.00 1.00 C ATOM 0 H LEU A 17 10.086 -6.342 -3.914 1.00 1.00 H new ATOM 0 HA LEU A 17 12.926 -6.066 -4.724 1.00 1.00 H new ATOM 0 HB2 LEU A 17 13.045 -7.517 -2.471 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.956 -5.768 -2.418 1.00 1.00 H new ATOM 0 HG LEU A 17 10.350 -7.274 -2.560 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.358 -7.583 -0.088 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.656 -8.524 -0.860 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.038 -6.998 -0.028 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.608 -5.437 -1.058 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.276 -4.820 -0.994 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.377 -4.799 -2.530 1.00 1.00 H new ATOM 291 N ALA A 18 11.051 -8.394 -5.485 1.00 1.00 N ATOM 292 CA ALA A 18 10.931 -9.725 -6.069 1.00 1.00 C ATOM 293 C ALA A 18 10.736 -10.785 -4.985 1.00 1.00 C ATOM 294 O ALA A 18 11.622 -11.607 -4.739 1.00 1.00 O ATOM 295 CB ALA A 18 12.185 -10.045 -6.887 1.00 1.00 C ATOM 0 H ALA A 18 10.256 -7.779 -5.659 1.00 1.00 H new ATOM 0 HA ALA A 18 10.056 -9.737 -6.719 1.00 1.00 H new ATOM 0 HB1 ALA A 18 12.092 -11.040 -7.322 1.00 1.00 H new ATOM 0 HB2 ALA A 18 12.297 -9.310 -7.684 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.060 -10.013 -6.238 1.00 1.00 H new ATOM 301 N LEU A 19 9.573 -10.765 -4.340 1.00 1.00 N ATOM 302 CA LEU A 19 9.262 -11.726 -3.284 1.00 1.00 C ATOM 303 C LEU A 19 7.913 -12.397 -3.548 1.00 1.00 C ATOM 304 O LEU A 19 7.355 -12.299 -4.641 1.00 1.00 O ATOM 305 CB LEU A 19 9.252 -10.999 -1.926 1.00 1.00 C ATOM 306 CG LEU A 19 10.508 -11.357 -1.112 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.778 -10.963 -1.897 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.452 -10.637 0.255 1.00 1.00 C ATOM 0 H LEU A 19 8.829 -10.093 -4.530 1.00 1.00 H new ATOM 0 HA LEU A 19 10.024 -12.505 -3.269 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.209 -9.921 -2.084 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.358 -11.275 -1.366 1.00 1.00 H new ATOM 0 HG LEU A 19 10.542 -12.433 -0.939 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.661 -11.220 -1.313 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.801 -11.500 -2.845 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.769 -9.890 -2.088 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.340 -10.888 0.835 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.414 -9.559 0.097 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.562 -10.956 0.798 1.00 1.00 H new ATOM 320 N GLY A 20 7.405 -13.082 -2.528 1.00 1.00 N ATOM 321 CA GLY A 20 6.129 -13.779 -2.627 1.00 1.00 C ATOM 322 C GLY A 20 6.339 -15.226 -3.042 1.00 1.00 C ATOM 323 O GLY A 20 5.381 -15.976 -3.217 1.00 1.00 O ATOM 0 H GLY A 20 7.861 -13.169 -1.620 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.613 -13.742 -1.668 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.490 -13.276 -3.353 1.00 1.00 H new ATOM 327 N ALA A 21 7.602 -15.619 -3.197 1.00 1.00 N ATOM 328 CA ALA A 21 7.926 -16.987 -3.592 1.00 1.00 C ATOM 329 C ALA A 21 8.044 -17.888 -2.367 1.00 1.00 C ATOM 330 O ALA A 21 7.196 -18.750 -2.128 1.00 1.00 O ATOM 331 CB ALA A 21 9.241 -17.011 -4.372 1.00 1.00 C ATOM 0 H ALA A 21 8.411 -15.014 -3.056 1.00 1.00 H new ATOM 0 HA ALA A 21 7.121 -17.359 -4.226 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.473 -18.036 -4.662 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.145 -16.394 -5.265 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.043 -16.620 -3.745 1.00 1.00 H new ATOM 337 N ASP A 22 9.111 -17.686 -1.591 1.00 1.00 N ATOM 338 CA ASP A 22 9.353 -18.483 -0.385 1.00 1.00 C ATOM 339 C ASP A 22 9.332 -17.612 0.862 1.00 1.00 C ATOM 340 O ASP A 22 10.166 -17.767 1.758 1.00 1.00 O ATOM 341 CB ASP A 22 10.704 -19.180 -0.488 1.00 1.00 C ATOM 342 CG ASP A 22 11.817 -18.154 -0.660 1.00 1.00 C ATOM 343 OD1 ASP A 22 11.544 -16.975 -0.497 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.929 -18.563 -0.951 1.00 1.00 O ATOM 0 H ASP A 22 9.821 -16.978 -1.776 1.00 1.00 H new ATOM 0 HA ASP A 22 8.557 -19.224 -0.306 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.883 -19.774 0.408 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.702 -19.869 -1.332 1.00 1.00 H new ATOM 349 N VAL A 23 8.376 -16.693 0.916 1.00 1.00 N ATOM 350 CA VAL A 23 8.239 -15.791 2.058 1.00 1.00 C ATOM 351 C VAL A 23 6.778 -15.686 2.487 1.00 1.00 C ATOM 352 O VAL A 23 5.863 -15.852 1.679 1.00 1.00 O ATOM 353 CB VAL A 23 8.774 -14.406 1.687 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.248 -14.026 0.309 1.00 1.00 C ATOM 355 CG2 VAL A 23 8.326 -13.372 2.733 1.00 1.00 C ATOM 0 H VAL A 23 7.682 -16.551 0.182 1.00 1.00 H new ATOM 0 HA VAL A 23 8.816 -16.191 2.892 1.00 1.00 H new ATOM 0 HB VAL A 23 9.864 -14.425 1.667 1.00 1.00 H new ATOM 0 HG11 VAL A 23 8.624 -13.040 0.035 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.585 -14.759 -0.424 1.00 1.00 H new ATOM 0 HG13 VAL A 23 7.158 -14.007 0.328 1.00 1.00 H new ATOM 0 HG21 VAL A 23 8.711 -12.389 2.461 1.00 1.00 H new ATOM 0 HG22 VAL A 23 7.237 -13.338 2.768 1.00 1.00 H new ATOM 0 HG23 VAL A 23 8.712 -13.655 3.712 1.00 1.00 H new ATOM 365 N VAL A 24 6.573 -15.399 3.770 1.00 1.00 N ATOM 366 CA VAL A 24 5.229 -15.258 4.316 1.00 1.00 C ATOM 367 C VAL A 24 4.758 -13.817 4.171 1.00 1.00 C ATOM 368 O VAL A 24 5.566 -12.887 4.143 1.00 1.00 O ATOM 369 CB VAL A 24 5.215 -15.649 5.795 1.00 1.00 C ATOM 370 CG1 VAL A 24 6.152 -14.728 6.579 1.00 1.00 C ATOM 371 CG2 VAL A 24 3.790 -15.509 6.338 1.00 1.00 C ATOM 0 H VAL A 24 7.321 -15.260 4.449 1.00 1.00 H new ATOM 0 HA VAL A 24 4.559 -15.917 3.764 1.00 1.00 H new ATOM 0 HB VAL A 24 5.551 -16.680 5.903 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.140 -15.008 7.632 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.166 -14.823 6.189 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.819 -13.696 6.475 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.773 -15.786 7.392 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.459 -14.476 6.229 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.122 -16.165 5.780 1.00 1.00 H new ATOM 381 N VAL A 25 3.442 -13.634 4.075 1.00 1.00 N ATOM 382 CA VAL A 25 2.858 -12.300 3.926 1.00 1.00 C ATOM 383 C VAL A 25 1.886 -12.013 5.064 1.00 1.00 C ATOM 384 O VAL A 25 1.012 -12.826 5.370 1.00 1.00 O ATOM 385 CB VAL A 25 2.116 -12.207 2.591 1.00 1.00 C ATOM 386 CG1 VAL A 25 0.937 -13.186 2.587 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.592 -10.782 2.400 1.00 1.00 C ATOM 0 H VAL A 25 2.759 -14.392 4.098 1.00 1.00 H new ATOM 0 HA VAL A 25 3.662 -11.564 3.953 1.00 1.00 H new ATOM 0 HB VAL A 25 2.799 -12.459 1.780 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.410 -13.118 1.635 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.307 -14.202 2.725 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.254 -12.936 3.398 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.063 -10.713 1.449 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.911 -10.533 3.213 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.429 -10.083 2.401 1.00 1.00 H new ATOM 397 N THR A 26 2.041 -10.847 5.688 1.00 1.00 N ATOM 398 CA THR A 26 1.174 -10.446 6.796 1.00 1.00 C ATOM 399 C THR A 26 0.739 -8.994 6.629 1.00 1.00 C ATOM 400 O THR A 26 1.437 -8.192 6.011 1.00 1.00 O ATOM 401 CB THR A 26 1.915 -10.623 8.133 1.00 1.00 C ATOM 402 OG1 THR A 26 3.274 -10.241 7.977 1.00 1.00 O ATOM 403 CG2 THR A 26 1.849 -12.085 8.575 1.00 1.00 C ATOM 0 H THR A 26 2.758 -10.163 5.446 1.00 1.00 H new ATOM 0 HA THR A 26 0.287 -11.079 6.794 1.00 1.00 H new ATOM 0 HB THR A 26 1.442 -9.996 8.888 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.745 -10.352 8.829 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.376 -12.203 9.522 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.807 -12.381 8.700 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.317 -12.715 7.819 1.00 1.00 H new ATOM 411 N ALA A 27 -0.423 -8.669 7.181 1.00 1.00 N ATOM 412 CA ALA A 27 -0.951 -7.317 7.087 1.00 1.00 C ATOM 413 C ALA A 27 -0.190 -6.371 8.012 1.00 1.00 C ATOM 414 O ALA A 27 0.147 -5.249 7.646 1.00 1.00 O ATOM 415 CB ALA A 27 -2.441 -7.321 7.456 1.00 1.00 C ATOM 0 H ALA A 27 -1.015 -9.321 7.696 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.828 -6.966 6.062 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.836 -6.308 7.385 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.984 -7.971 6.770 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.562 -7.688 8.475 1.00 1.00 H new ATOM 421 N ASP A 28 0.069 -6.835 9.222 1.00 1.00 N ATOM 422 CA ASP A 28 0.777 -6.026 10.206 1.00 1.00 C ATOM 423 C ASP A 28 2.279 -6.086 9.969 1.00 1.00 C ATOM 424 O ASP A 28 3.070 -5.798 10.863 1.00 1.00 O ATOM 425 CB ASP A 28 0.457 -6.510 11.623 1.00 1.00 C ATOM 426 CG ASP A 28 -1.042 -6.416 11.879 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.507 -5.325 12.162 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.703 -7.440 11.801 1.00 1.00 O ATOM 0 H ASP A 28 -0.198 -7.764 9.549 1.00 1.00 H new ATOM 0 HA ASP A 28 0.446 -4.993 10.099 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.792 -7.540 11.749 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.998 -5.907 12.353 1.00 1.00 H new ATOM 433 N SER A 29 2.663 -6.483 8.764 1.00 1.00 N ATOM 434 CA SER A 29 4.076 -6.599 8.431 1.00 1.00 C ATOM 435 C SER A 29 4.743 -5.232 8.371 1.00 1.00 C ATOM 436 O SER A 29 5.964 -5.136 8.258 1.00 1.00 O ATOM 437 CB SER A 29 4.246 -7.309 7.089 1.00 1.00 C ATOM 438 OG SER A 29 3.998 -6.387 6.036 1.00 1.00 O ATOM 0 H SER A 29 2.024 -6.728 8.008 1.00 1.00 H new ATOM 0 HA SER A 29 4.555 -7.183 9.216 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.254 -7.714 7.004 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.558 -8.151 7.020 1.00 1.00 H new ATOM 0 HG SER A 29 4.108 -6.839 5.173 1.00 1.00 H new ATOM 444 N GLU A 30 3.941 -4.183 8.446 1.00 1.00 N ATOM 445 CA GLU A 30 4.472 -2.831 8.400 1.00 1.00 C ATOM 446 C GLU A 30 5.302 -2.628 7.138 1.00 1.00 C ATOM 447 O GLU A 30 6.530 -2.687 7.173 1.00 1.00 O ATOM 448 CB GLU A 30 5.342 -2.563 9.629 1.00 1.00 C ATOM 449 CG GLU A 30 4.497 -2.697 10.897 1.00 1.00 C ATOM 450 CD GLU A 30 5.370 -2.484 12.129 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.558 -2.265 11.957 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.837 -2.545 13.225 1.00 1.00 O ATOM 0 H GLU A 30 2.927 -4.240 8.538 1.00 1.00 H new ATOM 0 HA GLU A 30 3.634 -2.134 8.392 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.174 -3.267 9.658 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.772 -1.563 9.571 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.688 -1.967 10.884 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.036 -3.684 10.934 1.00 1.00 H new ATOM 459 N PHE A 31 4.618 -2.384 6.030 1.00 1.00 N ATOM 460 CA PHE A 31 5.284 -2.160 4.754 1.00 1.00 C ATOM 461 C PHE A 31 5.988 -0.805 4.734 1.00 1.00 C ATOM 462 O PHE A 31 6.524 -0.389 3.705 1.00 1.00 O ATOM 463 CB PHE A 31 4.254 -2.235 3.612 1.00 1.00 C ATOM 464 CG PHE A 31 3.513 -0.911 3.462 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.210 -0.127 4.587 1.00 1.00 C ATOM 466 CD2 PHE A 31 3.157 -0.453 2.191 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.560 1.097 4.435 1.00 1.00 C ATOM 468 CE2 PHE A 31 2.507 0.777 2.046 1.00 1.00 C ATOM 469 CZ PHE A 31 2.212 1.551 3.169 1.00 1.00 C ATOM 0 H PHE A 31 3.600 -2.336 5.988 1.00 1.00 H new ATOM 0 HA PHE A 31 6.037 -2.936 4.617 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.758 -2.483 2.678 1.00 1.00 H new ATOM 0 HB3 PHE A 31 3.541 -3.035 3.811 1.00 1.00 H new ATOM 0 HD1 PHE A 31 3.481 -0.473 5.573 1.00 1.00 H new ATOM 0 HD2 PHE A 31 3.384 -1.049 1.320 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.326 1.694 5.304 1.00 1.00 H new ATOM 0 HE2 PHE A 31 2.233 1.129 1.062 1.00 1.00 H new ATOM 0 HZ PHE A 31 1.714 2.502 3.054 1.00 1.00 H new ATOM 479 N SER A 32 5.967 -0.109 5.867 1.00 1.00 N ATOM 480 CA SER A 32 6.592 1.208 5.964 1.00 1.00 C ATOM 481 C SER A 32 7.958 1.095 6.620 1.00 1.00 C ATOM 482 O SER A 32 8.076 0.656 7.765 1.00 1.00 O ATOM 483 CB SER A 32 5.708 2.144 6.787 1.00 1.00 C ATOM 484 OG SER A 32 6.405 3.362 7.023 1.00 1.00 O ATOM 0 H SER A 32 5.526 -0.433 6.728 1.00 1.00 H new ATOM 0 HA SER A 32 6.711 1.612 4.959 1.00 1.00 H new ATOM 0 HB2 SER A 32 4.776 2.342 6.258 1.00 1.00 H new ATOM 0 HB3 SER A 32 5.443 1.674 7.734 1.00 1.00 H new ATOM 0 HG SER A 32 5.840 3.965 7.549 1.00 1.00 H new ATOM 490 N LYS A 33 8.995 1.493 5.886 1.00 1.00 N ATOM 491 CA LYS A 33 10.362 1.432 6.399 1.00 1.00 C ATOM 492 C LYS A 33 11.192 2.587 5.855 1.00 1.00 C ATOM 493 O LYS A 33 10.946 3.076 4.752 1.00 1.00 O ATOM 494 CB LYS A 33 11.003 0.100 5.999 1.00 1.00 C ATOM 495 CG LYS A 33 11.098 0.011 4.474 1.00 1.00 C ATOM 496 CD LYS A 33 11.629 -1.366 4.075 1.00 1.00 C ATOM 497 CE LYS A 33 11.692 -1.464 2.550 1.00 1.00 C ATOM 498 NZ LYS A 33 12.699 -0.494 2.031 1.00 1.00 N ATOM 0 H LYS A 33 8.916 1.860 4.938 1.00 1.00 H new ATOM 0 HA LYS A 33 10.330 1.510 7.486 1.00 1.00 H new ATOM 0 HB2 LYS A 33 11.996 0.016 6.440 1.00 1.00 H new ATOM 0 HB3 LYS A 33 10.411 -0.730 6.385 1.00 1.00 H new ATOM 0 HG2 LYS A 33 10.118 0.178 4.028 1.00 1.00 H new ATOM 0 HG3 LYS A 33 11.758 0.791 4.094 1.00 1.00 H new ATOM 0 HD2 LYS A 33 12.620 -1.524 4.502 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.982 -2.147 4.474 1.00 1.00 H new ATOM 0 HE2 LYS A 33 11.959 -2.477 2.251 1.00 1.00 H new ATOM 0 HE3 LYS A 33 10.713 -1.253 2.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 12.967 -0.758 1.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 12.291 0.463 2.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 13.542 -0.510 2.640 1.00 1.00 H new ATOM 512 N LEU A 34 12.177 3.015 6.634 1.00 1.00 N ATOM 513 CA LEU A 34 13.042 4.113 6.222 1.00 1.00 C ATOM 514 C LEU A 34 14.069 3.627 5.206 1.00 1.00 C ATOM 515 O LEU A 34 14.521 2.484 5.262 1.00 1.00 O ATOM 516 CB LEU A 34 13.758 4.693 7.441 1.00 1.00 C ATOM 517 CG LEU A 34 12.725 5.108 8.497 1.00 1.00 C ATOM 518 CD1 LEU A 34 13.451 5.629 9.740 1.00 1.00 C ATOM 519 CD2 LEU A 34 11.803 6.207 7.934 1.00 1.00 C ATOM 0 H LEU A 34 12.396 2.622 7.549 1.00 1.00 H new ATOM 0 HA LEU A 34 12.429 4.887 5.760 1.00 1.00 H new ATOM 0 HB2 LEU A 34 14.443 3.955 7.858 1.00 1.00 H new ATOM 0 HB3 LEU A 34 14.358 5.554 7.147 1.00 1.00 H new ATOM 0 HG LEU A 34 12.118 4.243 8.764 1.00 1.00 H new ATOM 0 HD11 LEU A 34 12.719 5.925 10.492 1.00 1.00 H new ATOM 0 HD12 LEU A 34 14.090 4.844 10.144 1.00 1.00 H new ATOM 0 HD13 LEU A 34 14.062 6.490 9.470 1.00 1.00 H new ATOM 0 HD21 LEU A 34 11.074 6.494 8.692 1.00 1.00 H new ATOM 0 HD22 LEU A 34 12.400 7.076 7.657 1.00 1.00 H new ATOM 0 HD23 LEU A 34 11.282 5.829 7.054 1.00 1.00 H new ATOM 531 N GLY A 35 14.435 4.505 4.279 1.00 1.00 N ATOM 532 CA GLY A 35 15.413 4.156 3.256 1.00 1.00 C ATOM 533 C GLY A 35 15.964 5.407 2.580 1.00 1.00 C ATOM 534 O GLY A 35 15.357 6.477 2.643 1.00 1.00 O ATOM 0 H GLY A 35 14.073 5.456 4.215 1.00 1.00 H new ATOM 0 HA2 GLY A 35 16.230 3.591 3.706 1.00 1.00 H new ATOM 0 HA3 GLY A 35 14.950 3.509 2.511 1.00 1.00 H new ATOM 538 N ALA A 36 17.115 5.264 1.934 1.00 1.00 N ATOM 539 CA ALA A 36 17.743 6.387 1.247 1.00 1.00 C ATOM 540 C ALA A 36 16.860 6.873 0.102 1.00 1.00 C ATOM 541 O ALA A 36 16.798 8.068 -0.184 1.00 1.00 O ATOM 542 CB ALA A 36 19.110 5.973 0.702 1.00 1.00 C ATOM 0 H ALA A 36 17.631 4.386 1.871 1.00 1.00 H new ATOM 0 HA ALA A 36 17.873 7.199 1.962 1.00 1.00 H new ATOM 0 HB1 ALA A 36 19.569 6.819 0.191 1.00 1.00 H new ATOM 0 HB2 ALA A 36 19.749 5.656 1.526 1.00 1.00 H new ATOM 0 HB3 ALA A 36 18.987 5.148 -0.000 1.00 1.00 H new ATOM 548 N ASP A 37 16.180 5.936 -0.553 1.00 1.00 N ATOM 549 CA ASP A 37 15.303 6.277 -1.668 1.00 1.00 C ATOM 550 C ASP A 37 13.958 6.784 -1.157 1.00 1.00 C ATOM 551 O ASP A 37 13.184 6.029 -0.566 1.00 1.00 O ATOM 552 CB ASP A 37 15.081 5.051 -2.553 1.00 1.00 C ATOM 553 CG ASP A 37 14.204 5.420 -3.745 1.00 1.00 C ATOM 554 OD1 ASP A 37 13.700 6.530 -3.763 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.052 4.587 -4.624 1.00 1.00 O ATOM 0 H ASP A 37 16.219 4.941 -0.333 1.00 1.00 H new ATOM 0 HA ASP A 37 15.780 7.065 -2.251 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.039 4.666 -2.901 1.00 1.00 H new ATOM 0 HB3 ASP A 37 14.609 4.256 -1.976 1.00 1.00 H new ATOM 560 N SER A 38 13.688 8.065 -1.388 1.00 1.00 N ATOM 561 CA SER A 38 12.432 8.671 -0.948 1.00 1.00 C ATOM 562 C SER A 38 11.362 8.536 -2.028 1.00 1.00 C ATOM 563 O SER A 38 10.208 8.915 -1.824 1.00 1.00 O ATOM 564 CB SER A 38 12.652 10.151 -0.634 1.00 1.00 C ATOM 0 H SER A 38 14.318 8.703 -1.875 1.00 1.00 H new ATOM 0 HA SER A 38 12.095 8.151 -0.051 1.00 1.00 H new ATOM 569 N LEU A 39 11.755 7.997 -3.179 1.00 1.00 N ATOM 570 CA LEU A 39 10.825 7.821 -4.290 1.00 1.00 C ATOM 571 C LEU A 39 10.012 6.543 -4.113 1.00 1.00 C ATOM 572 O LEU A 39 9.180 6.202 -4.954 1.00 1.00 O ATOM 573 CB LEU A 39 11.600 7.753 -5.609 1.00 1.00 C ATOM 574 CG LEU A 39 12.470 9.007 -5.764 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.290 8.900 -7.053 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.584 10.265 -5.816 1.00 1.00 C ATOM 0 H LEU A 39 12.705 7.676 -3.366 1.00 1.00 H new ATOM 0 HA LEU A 39 10.144 8.672 -4.308 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.225 6.860 -5.629 1.00 1.00 H new ATOM 0 HB3 LEU A 39 10.906 7.675 -6.446 1.00 1.00 H new ATOM 0 HG LEU A 39 13.141 9.085 -4.908 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.909 9.790 -7.165 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.928 8.018 -7.006 1.00 1.00 H new ATOM 0 HD13 LEU A 39 12.617 8.816 -7.906 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.213 11.149 -5.926 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.903 10.196 -6.665 1.00 1.00 H new ATOM 0 HD23 LEU A 39 11.008 10.342 -4.894 1.00 1.00 H new ATOM 588 N ASP A 40 10.255 5.842 -3.010 1.00 1.00 N ATOM 589 CA ASP A 40 9.539 4.602 -2.733 1.00 1.00 C ATOM 590 C ASP A 40 8.034 4.865 -2.689 1.00 1.00 C ATOM 591 O ASP A 40 7.243 4.104 -3.246 1.00 1.00 O ATOM 592 CB ASP A 40 10.010 4.024 -1.386 1.00 1.00 C ATOM 593 CG ASP A 40 11.272 3.185 -1.577 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.833 3.230 -2.660 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.662 2.514 -0.635 1.00 1.00 O ATOM 0 H ASP A 40 10.936 6.108 -2.299 1.00 1.00 H new ATOM 0 HA ASP A 40 9.748 3.884 -3.526 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.208 4.835 -0.685 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.221 3.411 -0.951 1.00 1.00 H new ATOM 600 N THR A 41 7.647 5.949 -2.026 1.00 1.00 N ATOM 601 CA THR A 41 6.238 6.300 -1.921 1.00 1.00 C ATOM 602 C THR A 41 5.648 6.566 -3.295 1.00 1.00 C ATOM 603 O THR A 41 4.534 6.145 -3.585 1.00 1.00 O ATOM 604 CB THR A 41 6.057 7.533 -1.029 1.00 1.00 C ATOM 605 OG1 THR A 41 6.720 7.316 0.209 1.00 1.00 O ATOM 606 CG2 THR A 41 4.562 7.790 -0.782 1.00 1.00 C ATOM 0 H THR A 41 8.283 6.594 -1.558 1.00 1.00 H new ATOM 0 HA THR A 41 5.712 5.458 -1.471 1.00 1.00 H new ATOM 0 HB THR A 41 6.485 8.404 -1.525 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.608 8.103 0.782 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.444 8.668 -0.147 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.060 7.960 -1.734 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.121 6.924 -0.289 1.00 1.00 H new ATOM 614 N VAL A 42 6.407 7.269 -4.133 1.00 1.00 N ATOM 615 CA VAL A 42 5.954 7.594 -5.484 1.00 1.00 C ATOM 616 C VAL A 42 5.719 6.321 -6.290 1.00 1.00 C ATOM 617 O VAL A 42 4.747 6.208 -7.034 1.00 1.00 O ATOM 618 CB VAL A 42 6.997 8.462 -6.189 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.516 8.777 -7.606 1.00 1.00 C ATOM 620 CG2 VAL A 42 7.184 9.763 -5.410 1.00 1.00 C ATOM 0 H VAL A 42 7.335 7.623 -3.902 1.00 1.00 H new ATOM 0 HA VAL A 42 5.015 8.143 -5.411 1.00 1.00 H new ATOM 0 HB VAL A 42 7.947 7.930 -6.237 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.257 9.396 -8.113 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.380 7.848 -8.159 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.568 9.312 -7.558 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.927 10.383 -5.911 1.00 1.00 H new ATOM 0 HG22 VAL A 42 6.236 10.299 -5.364 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.522 9.536 -4.399 1.00 1.00 H new ATOM 630 N GLU A 43 6.627 5.367 -6.159 1.00 1.00 N ATOM 631 CA GLU A 43 6.495 4.110 -6.881 1.00 1.00 C ATOM 632 C GLU A 43 5.401 3.237 -6.268 1.00 1.00 C ATOM 633 O GLU A 43 4.575 2.670 -6.976 1.00 1.00 O ATOM 634 CB GLU A 43 7.819 3.354 -6.855 1.00 1.00 C ATOM 635 CG GLU A 43 8.850 4.124 -7.677 1.00 1.00 C ATOM 636 CD GLU A 43 10.210 3.445 -7.575 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.301 2.451 -6.875 1.00 1.00 O ATOM 638 OE2 GLU A 43 11.139 3.928 -8.201 1.00 1.00 O ATOM 0 H GLU A 43 7.455 5.436 -5.567 1.00 1.00 H new ATOM 0 HA GLU A 43 6.221 4.339 -7.911 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.166 3.239 -5.828 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.687 2.351 -7.261 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.535 4.171 -8.719 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.919 5.151 -7.319 1.00 1.00 H new ATOM 645 N ILE A 44 5.420 3.115 -4.941 1.00 1.00 N ATOM 646 CA ILE A 44 4.445 2.275 -4.244 1.00 1.00 C ATOM 647 C ILE A 44 3.022 2.805 -4.400 1.00 1.00 C ATOM 648 O ILE A 44 2.092 2.043 -4.650 1.00 1.00 O ATOM 649 CB ILE A 44 4.795 2.212 -2.749 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.120 1.452 -2.542 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.663 1.507 -1.980 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.880 -0.063 -2.473 1.00 1.00 C ATOM 0 H ILE A 44 6.092 3.582 -4.332 1.00 1.00 H new ATOM 0 HA ILE A 44 4.488 1.281 -4.689 1.00 1.00 H new ATOM 0 HB ILE A 44 4.911 3.228 -2.371 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.805 1.679 -3.359 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.598 1.790 -1.623 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.915 1.464 -0.920 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.734 2.062 -2.110 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.538 0.495 -2.364 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.831 -0.576 -2.327 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.214 -0.288 -1.640 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.425 -0.402 -3.403 1.00 1.00 H new ATOM 664 N VAL A 45 2.853 4.106 -4.236 1.00 1.00 N ATOM 665 CA VAL A 45 1.532 4.702 -4.340 1.00 1.00 C ATOM 666 C VAL A 45 0.951 4.491 -5.727 1.00 1.00 C ATOM 667 O VAL A 45 -0.222 4.150 -5.872 1.00 1.00 O ATOM 668 CB VAL A 45 1.624 6.199 -4.048 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.423 6.903 -5.147 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.226 6.794 -3.991 1.00 1.00 C ATOM 0 H VAL A 45 3.605 4.764 -4.032 1.00 1.00 H new ATOM 0 HA VAL A 45 0.877 4.221 -3.613 1.00 1.00 H new ATOM 0 HB VAL A 45 2.126 6.340 -3.091 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.482 7.969 -4.928 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.429 6.485 -5.190 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.928 6.757 -6.107 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.293 7.862 -3.783 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.274 6.642 -4.948 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.345 6.306 -3.202 1.00 1.00 H new ATOM 680 N MET A 46 1.771 4.699 -6.743 1.00 1.00 N ATOM 681 CA MET A 46 1.316 4.539 -8.113 1.00 1.00 C ATOM 682 C MET A 46 0.963 3.086 -8.401 1.00 1.00 C ATOM 683 O MET A 46 -0.016 2.802 -9.090 1.00 1.00 O ATOM 684 CB MET A 46 2.399 5.016 -9.083 1.00 1.00 C ATOM 685 CG MET A 46 2.484 6.555 -9.109 1.00 1.00 C ATOM 686 SD MET A 46 0.880 7.309 -9.507 1.00 1.00 S ATOM 687 CE MET A 46 0.584 6.430 -11.054 1.00 1.00 C ATOM 0 H MET A 46 2.748 4.977 -6.647 1.00 1.00 H new ATOM 0 HA MET A 46 0.419 5.144 -8.250 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.363 4.601 -8.789 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.184 4.644 -10.085 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.826 6.917 -8.139 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.225 6.866 -9.845 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.096 7.010 -11.678 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.529 6.291 -11.580 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.141 5.457 -10.841 1.00 1.00 H new ATOM 697 N ASN A 47 1.758 2.165 -7.883 1.00 1.00 N ATOM 698 CA ASN A 47 1.500 0.760 -8.118 1.00 1.00 C ATOM 699 C ASN A 47 0.133 0.370 -7.561 1.00 1.00 C ATOM 700 O ASN A 47 -0.662 -0.274 -8.243 1.00 1.00 O ATOM 701 CB ASN A 47 2.600 -0.071 -7.443 1.00 1.00 C ATOM 702 CG ASN A 47 3.839 -0.138 -8.329 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.733 0.701 -8.224 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.951 -1.105 -9.192 1.00 1.00 N ATOM 0 H ASN A 47 2.575 2.363 -7.306 1.00 1.00 H new ATOM 0 HA ASN A 47 1.501 0.567 -9.191 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.858 0.370 -6.480 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.233 -1.078 -7.244 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.780 -1.168 -9.782 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.209 -1.800 -9.278 1.00 1.00 H new ATOM 711 N LEU A 48 -0.141 0.766 -6.325 1.00 1.00 N ATOM 712 CA LEU A 48 -1.419 0.442 -5.708 1.00 1.00 C ATOM 713 C LEU A 48 -2.542 1.202 -6.402 1.00 1.00 C ATOM 714 O LEU A 48 -3.586 0.636 -6.727 1.00 1.00 O ATOM 715 CB LEU A 48 -1.378 0.814 -4.225 1.00 1.00 C ATOM 716 CG LEU A 48 -0.239 0.039 -3.532 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.049 0.653 -2.158 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.635 -1.429 -3.328 1.00 1.00 C ATOM 0 H LEU A 48 0.495 1.305 -5.737 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.605 -0.627 -5.808 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.223 1.887 -4.112 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.332 0.578 -3.753 1.00 1.00 H new ATOM 0 HG LEU A 48 0.645 0.098 -4.167 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.855 0.101 -1.674 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.346 1.695 -2.280 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.848 0.601 -1.541 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.180 -1.961 -2.838 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.529 -1.482 -2.706 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.839 -1.889 -4.295 1.00 1.00 H new ATOM 730 N GLU A 49 -2.317 2.490 -6.638 1.00 1.00 N ATOM 731 CA GLU A 49 -3.318 3.312 -7.298 1.00 1.00 C ATOM 732 C GLU A 49 -3.564 2.793 -8.707 1.00 1.00 C ATOM 733 O GLU A 49 -4.705 2.728 -9.166 1.00 1.00 O ATOM 734 CB GLU A 49 -2.845 4.765 -7.352 1.00 1.00 C ATOM 735 CG GLU A 49 -3.980 5.649 -7.875 1.00 1.00 C ATOM 736 CD GLU A 49 -3.515 7.099 -7.953 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.492 7.404 -7.364 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.188 7.881 -8.603 1.00 1.00 O ATOM 0 H GLU A 49 -1.460 2.981 -6.384 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.249 3.263 -6.733 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.538 5.096 -6.360 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -1.973 4.852 -8.001 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.295 5.306 -8.860 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.846 5.571 -7.218 1.00 1.00 H new ATOM 745 N GLU A 50 -2.486 2.418 -9.392 1.00 1.00 N ATOM 746 CA GLU A 50 -2.599 1.893 -10.745 1.00 1.00 C ATOM 747 C GLU A 50 -3.242 0.507 -10.736 1.00 1.00 C ATOM 748 O GLU A 50 -4.091 0.203 -11.574 1.00 1.00 O ATOM 749 CB GLU A 50 -1.215 1.812 -11.394 1.00 1.00 C ATOM 750 CG GLU A 50 -1.358 1.373 -12.853 1.00 1.00 C ATOM 751 CD GLU A 50 0.007 1.367 -13.531 1.00 1.00 C ATOM 752 OE1 GLU A 50 0.997 1.477 -12.828 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.042 1.253 -14.745 1.00 1.00 O ATOM 0 H GLU A 50 -1.532 2.468 -9.033 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.231 2.569 -11.321 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.720 2.782 -11.342 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.588 1.105 -10.851 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.801 0.378 -12.900 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.032 2.048 -13.380 1.00 1.00 H new ATOM 760 N GLU A 51 -2.829 -0.333 -9.786 1.00 1.00 N ATOM 761 CA GLU A 51 -3.371 -1.684 -9.690 1.00 1.00 C ATOM 762 C GLU A 51 -4.864 -1.639 -9.389 1.00 1.00 C ATOM 763 O GLU A 51 -5.664 -2.279 -10.072 1.00 1.00 O ATOM 764 CB GLU A 51 -2.649 -2.451 -8.581 1.00 1.00 C ATOM 765 CG GLU A 51 -3.071 -3.923 -8.608 1.00 1.00 C ATOM 766 CD GLU A 51 -2.519 -4.598 -9.858 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.702 -3.985 -10.526 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.911 -5.722 -10.123 1.00 1.00 O ATOM 0 H GLU A 51 -2.129 -0.103 -9.081 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.219 -2.190 -10.644 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.570 -2.370 -8.713 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.885 -2.013 -7.611 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.704 -4.432 -7.717 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.158 -3.999 -8.593 1.00 1.00 H new ATOM 775 N PHE A 52 -5.234 -0.878 -8.365 1.00 1.00 N ATOM 776 CA PHE A 52 -6.637 -0.759 -7.986 1.00 1.00 C ATOM 777 C PHE A 52 -7.355 0.233 -8.897 1.00 1.00 C ATOM 778 O PHE A 52 -8.582 0.331 -8.878 1.00 1.00 O ATOM 779 CB PHE A 52 -6.750 -0.300 -6.531 1.00 1.00 C ATOM 780 CG PHE A 52 -6.258 -1.394 -5.614 1.00 1.00 C ATOM 781 CD1 PHE A 52 -6.938 -2.617 -5.548 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.120 -1.184 -4.824 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.477 -3.624 -4.695 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.665 -2.191 -3.975 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.342 -3.408 -3.911 1.00 1.00 C ATOM 0 H PHE A 52 -4.589 -0.339 -7.787 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.107 -1.737 -8.092 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.164 0.607 -6.379 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.786 -0.054 -6.296 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.816 -2.781 -6.155 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.595 -0.241 -4.873 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.998 -4.568 -4.642 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.788 -2.029 -3.366 1.00 1.00 H new ATOM 0 HZ PHE A 52 -4.987 -4.187 -3.252 1.00 1.00 H new ATOM 795 N GLY A 53 -6.583 0.962 -9.695 1.00 1.00 N ATOM 796 CA GLY A 53 -7.161 1.937 -10.612 1.00 1.00 C ATOM 797 C GLY A 53 -8.016 2.943 -9.855 1.00 1.00 C ATOM 798 O GLY A 53 -9.149 3.230 -10.245 1.00 1.00 O ATOM 0 H GLY A 53 -5.565 0.898 -9.726 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.366 2.457 -11.147 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.767 1.426 -11.360 1.00 1.00 H new ATOM 802 N ILE A 54 -7.470 3.475 -8.761 1.00 1.00 N ATOM 803 CA ILE A 54 -8.187 4.449 -7.936 1.00 1.00 C ATOM 804 C ILE A 54 -7.480 5.795 -7.969 1.00 1.00 C ATOM 805 O ILE A 54 -6.537 5.995 -8.736 1.00 1.00 O ATOM 806 CB ILE A 54 -8.281 3.947 -6.488 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.890 3.494 -6.021 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.264 2.771 -6.417 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.989 2.776 -4.681 1.00 1.00 C ATOM 0 H ILE A 54 -6.534 3.248 -8.425 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.193 4.570 -8.339 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.637 4.749 -5.841 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.448 2.831 -6.764 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.230 4.357 -5.931 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.331 2.414 -5.389 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.248 3.099 -6.752 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.912 1.963 -7.059 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.995 2.461 -4.363 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.411 3.451 -3.937 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.632 1.902 -4.783 1.00 1.00 H new ATOM 821 N ASN A 55 -7.948 6.723 -7.137 1.00 1.00 N ATOM 822 CA ASN A 55 -7.366 8.063 -7.070 1.00 1.00 C ATOM 823 C ASN A 55 -6.764 8.298 -5.693 1.00 1.00 C ATOM 824 O ASN A 55 -7.484 8.491 -4.711 1.00 1.00 O ATOM 825 CB ASN A 55 -8.445 9.121 -7.350 1.00 1.00 C ATOM 826 CG ASN A 55 -9.769 8.689 -6.727 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.787 8.629 -7.415 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.817 8.383 -5.460 1.00 1.00 N ATOM 0 H ASN A 55 -8.729 6.572 -6.499 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.583 8.145 -7.823 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.138 10.084 -6.941 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.565 9.255 -8.425 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.699 8.093 -5.038 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -8.972 8.433 -4.891 1.00 1.00 H new ATOM 835 N VAL A 56 -5.436 8.285 -5.629 1.00 1.00 N ATOM 836 CA VAL A 56 -4.727 8.499 -4.369 1.00 1.00 C ATOM 837 C VAL A 56 -3.950 9.811 -4.417 1.00 1.00 C ATOM 838 O VAL A 56 -3.217 10.081 -5.369 1.00 1.00 O ATOM 839 CB VAL A 56 -3.754 7.339 -4.109 1.00 1.00 C ATOM 840 CG1 VAL A 56 -2.772 7.717 -2.980 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.549 6.089 -3.703 1.00 1.00 C ATOM 0 H VAL A 56 -4.828 8.129 -6.433 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.459 8.545 -3.563 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.188 7.134 -5.018 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.086 6.889 -2.802 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.206 8.601 -3.271 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.330 7.928 -2.068 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.861 5.264 -3.518 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.117 6.298 -2.797 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.234 5.817 -4.506 1.00 1.00 H new ATOM 851 N ASP A 57 -4.114 10.618 -3.371 1.00 1.00 N ATOM 852 CA ASP A 57 -3.425 11.905 -3.272 1.00 1.00 C ATOM 853 C ASP A 57 -2.224 11.790 -2.344 1.00 1.00 C ATOM 854 O ASP A 57 -2.084 10.813 -1.610 1.00 1.00 O ATOM 855 CB ASP A 57 -4.384 12.973 -2.743 1.00 1.00 C ATOM 856 CG ASP A 57 -5.395 13.342 -3.824 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.224 12.893 -4.946 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.326 14.069 -3.516 1.00 1.00 O ATOM 0 H ASP A 57 -4.719 10.404 -2.578 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.080 12.192 -4.265 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -4.903 12.603 -1.859 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -3.825 13.858 -2.438 1.00 1.00 H new ATOM 863 N GLU A 58 -1.359 12.795 -2.387 1.00 1.00 N ATOM 864 CA GLU A 58 -0.168 12.800 -1.551 1.00 1.00 C ATOM 865 C GLU A 58 -0.546 12.882 -0.078 1.00 1.00 C ATOM 866 O GLU A 58 0.100 12.276 0.771 1.00 1.00 O ATOM 867 CB GLU A 58 0.723 13.990 -1.916 1.00 1.00 C ATOM 868 CG GLU A 58 1.284 13.797 -3.325 1.00 1.00 C ATOM 869 CD GLU A 58 2.112 15.013 -3.729 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.318 15.873 -2.887 1.00 1.00 O ATOM 871 OE2 GLU A 58 2.523 15.071 -4.877 1.00 1.00 O ATOM 0 H GLU A 58 -1.460 13.612 -2.989 1.00 1.00 H new ATOM 0 HA GLU A 58 0.376 11.871 -1.724 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.150 14.916 -1.866 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.538 14.081 -1.198 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.901 12.899 -3.360 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.468 13.651 -4.033 1.00 1.00 H new ATOM 878 N ASP A 59 -1.597 13.637 0.215 1.00 1.00 N ATOM 879 CA ASP A 59 -2.048 13.803 1.593 1.00 1.00 C ATOM 880 C ASP A 59 -2.469 12.461 2.177 1.00 1.00 C ATOM 881 O ASP A 59 -2.305 12.210 3.371 1.00 1.00 O ATOM 882 CB ASP A 59 -3.233 14.769 1.631 1.00 1.00 C ATOM 883 CG ASP A 59 -2.737 16.216 1.661 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.553 16.420 1.447 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.547 17.098 1.897 1.00 1.00 O ATOM 0 H ASP A 59 -2.151 14.142 -0.477 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.227 14.205 2.186 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.867 14.613 0.758 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.846 14.569 2.510 1.00 1.00 H new ATOM 890 N LYS A 60 -3.030 11.607 1.335 1.00 1.00 N ATOM 891 CA LYS A 60 -3.476 10.293 1.781 1.00 1.00 C ATOM 892 C LYS A 60 -2.320 9.306 1.748 1.00 1.00 C ATOM 893 O LYS A 60 -2.313 8.320 2.484 1.00 1.00 O ATOM 894 CB LYS A 60 -4.636 9.805 0.898 1.00 1.00 C ATOM 895 CG LYS A 60 -4.961 8.324 1.198 1.00 1.00 C ATOM 896 CD LYS A 60 -4.269 7.440 0.166 1.00 1.00 C ATOM 897 CE LYS A 60 -4.378 5.970 0.570 1.00 1.00 C ATOM 898 NZ LYS A 60 -3.461 5.154 -0.259 1.00 1.00 N ATOM 0 H LYS A 60 -3.187 11.797 0.345 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.831 10.367 2.809 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.519 10.420 1.075 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.373 9.920 -0.154 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -4.627 8.062 2.202 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.039 8.163 1.169 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -4.722 7.590 -0.814 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -3.220 7.724 0.079 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.130 5.854 1.625 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.404 5.623 0.443 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -3.847 4.194 -0.361 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -3.362 5.589 -1.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -2.529 5.106 0.200 1.00 1.00 H new ATOM 912 N ALA A 61 -1.348 9.557 0.872 1.00 1.00 N ATOM 913 CA ALA A 61 -0.193 8.663 0.734 1.00 1.00 C ATOM 914 C ALA A 61 1.077 9.323 1.245 1.00 1.00 C ATOM 915 O ALA A 61 2.106 9.335 0.564 1.00 1.00 O ATOM 916 CB ALA A 61 -0.014 8.284 -0.734 1.00 1.00 C ATOM 0 H ALA A 61 -1.334 10.365 0.250 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.379 7.770 1.331 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.844 7.620 -0.836 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.910 7.776 -1.091 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.152 9.185 -1.325 1.00 1.00 H new ATOM 922 N GLN A 62 1.004 9.869 2.456 1.00 1.00 N ATOM 923 CA GLN A 62 2.157 10.529 3.075 1.00 1.00 C ATOM 924 C GLN A 62 2.563 9.817 4.360 1.00 1.00 C ATOM 925 O GLN A 62 3.751 9.653 4.643 1.00 1.00 O ATOM 926 CB GLN A 62 1.822 11.989 3.386 1.00 1.00 C ATOM 927 CG GLN A 62 0.574 12.051 4.265 1.00 1.00 C ATOM 928 CD GLN A 62 0.093 13.493 4.383 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.595 14.374 3.685 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.858 13.788 5.226 1.00 1.00 N ATOM 0 H GLN A 62 0.161 9.869 3.030 1.00 1.00 H new ATOM 0 HA GLN A 62 2.989 10.487 2.372 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.661 12.465 3.894 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.655 12.540 2.460 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.213 11.430 3.838 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.795 11.650 5.254 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.273 13.057 5.803 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.187 14.750 5.308 1.00 1.00 H new ATOM 939 N ASP A 63 1.568 9.406 5.145 1.00 1.00 N ATOM 940 CA ASP A 63 1.827 8.721 6.412 1.00 1.00 C ATOM 941 C ASP A 63 0.850 7.570 6.624 1.00 1.00 C ATOM 942 O ASP A 63 0.099 7.553 7.601 1.00 1.00 O ATOM 943 CB ASP A 63 1.699 9.712 7.564 1.00 1.00 C ATOM 944 CG ASP A 63 0.294 10.303 7.600 1.00 1.00 C ATOM 945 OD1 ASP A 63 -0.554 9.818 6.868 1.00 1.00 O ATOM 946 OD2 ASP A 63 0.088 11.240 8.353 1.00 1.00 O ATOM 0 H ASP A 63 0.580 9.534 4.928 1.00 1.00 H new ATOM 0 HA ASP A 63 2.838 8.314 6.380 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.915 9.212 8.508 1.00 1.00 H new ATOM 0 HB3 ASP A 63 2.433 10.509 7.450 1.00 1.00 H new ATOM 951 N ILE A 64 0.871 6.604 5.712 1.00 1.00 N ATOM 952 CA ILE A 64 -0.012 5.442 5.811 1.00 1.00 C ATOM 953 C ILE A 64 0.636 4.349 6.649 1.00 1.00 C ATOM 954 O ILE A 64 1.772 3.935 6.400 1.00 1.00 O ATOM 955 CB ILE A 64 -0.337 4.911 4.411 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.168 5.949 3.632 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.108 3.594 4.504 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.490 6.277 4.358 1.00 1.00 C ATOM 0 H ILE A 64 1.486 6.600 4.898 1.00 1.00 H new ATOM 0 HA ILE A 64 -0.937 5.748 6.299 1.00 1.00 H new ATOM 0 HB ILE A 64 0.599 4.732 3.883 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.586 6.862 3.505 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.385 5.568 2.634 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.331 3.231 3.501 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.504 2.855 5.031 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.040 3.755 5.046 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.050 7.012 3.780 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.083 5.369 4.462 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.272 6.682 5.346 1.00 1.00 H new ATOM 970 N SER A 65 -0.106 3.886 7.647 1.00 1.00 N ATOM 971 CA SER A 65 0.378 2.836 8.532 1.00 1.00 C ATOM 972 C SER A 65 0.571 1.549 7.743 1.00 1.00 C ATOM 973 O SER A 65 0.460 1.547 6.525 1.00 1.00 O ATOM 974 CB SER A 65 -0.596 2.617 9.697 1.00 1.00 C ATOM 975 OG SER A 65 0.147 2.438 10.891 1.00 1.00 O ATOM 0 H SER A 65 -1.045 4.221 7.863 1.00 1.00 H new ATOM 0 HA SER A 65 1.337 3.141 8.951 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.265 3.472 9.794 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.220 1.744 9.507 1.00 1.00 H new ATOM 0 HG SER A 65 -0.468 2.299 11.641 1.00 1.00 H new ATOM 981 N THR A 66 0.866 0.469 8.453 1.00 1.00 N ATOM 982 CA THR A 66 1.086 -0.823 7.818 1.00 1.00 C ATOM 983 C THR A 66 0.012 -1.108 6.771 1.00 1.00 C ATOM 984 O THR A 66 -0.844 -0.273 6.487 1.00 1.00 O ATOM 985 CB THR A 66 1.094 -1.934 8.879 1.00 1.00 C ATOM 986 OG1 THR A 66 1.556 -3.142 8.296 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.310 -2.164 9.429 1.00 1.00 C ATOM 0 H THR A 66 0.959 0.462 9.469 1.00 1.00 H new ATOM 0 HA THR A 66 2.053 -0.797 7.316 1.00 1.00 H new ATOM 0 HB THR A 66 1.752 -1.628 9.692 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.816 -3.782 8.240 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.282 -2.955 10.179 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.677 -1.245 9.885 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.975 -2.457 8.617 1.00 1.00 H new ATOM 995 N ILE A 67 0.058 -2.297 6.198 1.00 1.00 N ATOM 996 CA ILE A 67 -0.908 -2.669 5.177 1.00 1.00 C ATOM 997 C ILE A 67 -2.330 -2.576 5.717 1.00 1.00 C ATOM 998 O ILE A 67 -3.232 -2.107 5.024 1.00 1.00 O ATOM 999 CB ILE A 67 -0.636 -4.095 4.704 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.698 -4.144 3.946 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.769 -4.568 3.784 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.198 -5.595 3.843 1.00 1.00 C ATOM 0 H ILE A 67 0.747 -3.017 6.418 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.807 -1.978 4.340 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.583 -4.752 5.572 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.573 -3.723 2.948 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.439 -3.532 4.460 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.567 -5.586 3.451 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.713 -4.545 4.328 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.833 -3.909 2.918 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.145 -5.616 3.303 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.342 -6.002 4.844 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.462 -6.196 3.309 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.530 -3.033 6.949 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.858 -2.998 7.558 1.00 1.00 C ATOM 1016 C GLN A 68 -4.571 -1.692 7.223 1.00 1.00 C ATOM 1017 O GLN A 68 -5.726 -1.697 6.801 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.730 -3.131 9.077 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.290 -4.551 9.437 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.485 -5.500 9.366 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.081 -5.822 10.393 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.893 -5.942 8.210 1.00 1.00 N ATOM 0 H GLN A 68 -1.799 -3.428 7.541 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.442 -3.828 7.161 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.006 -2.409 9.455 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.684 -2.904 9.553 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.509 -4.884 8.753 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.862 -4.565 10.440 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.399 -5.675 7.359 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.707 -6.555 8.157 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.874 -0.577 7.400 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.454 0.723 7.092 1.00 1.00 C ATOM 1033 C GLN A 69 -4.465 0.964 5.587 1.00 1.00 C ATOM 1034 O GLN A 69 -5.454 1.435 5.036 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.651 1.828 7.783 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.045 1.904 9.263 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.456 2.465 9.400 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.237 1.991 10.225 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.829 3.453 8.635 1.00 1.00 N ATOM 0 H GLN A 69 -2.917 -0.546 7.751 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.481 0.737 7.456 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.584 1.627 7.691 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.839 2.785 7.297 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.994 0.912 9.713 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.340 2.536 9.803 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.179 3.843 7.953 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.771 3.836 8.719 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.360 0.646 4.925 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.277 0.860 3.489 1.00 1.00 C ATOM 1050 C ALA A 70 -4.431 0.169 2.772 1.00 1.00 C ATOM 1051 O ALA A 70 -5.112 0.774 1.947 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.943 0.321 2.974 1.00 1.00 C ATOM 0 H ALA A 70 -2.524 0.246 5.351 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.343 1.929 3.287 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.878 0.480 1.898 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.124 0.844 3.468 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.874 -0.746 3.188 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.650 -1.095 3.097 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.730 -1.850 2.478 1.00 1.00 C ATOM 1060 C ALA A 71 -7.085 -1.279 2.878 1.00 1.00 C ATOM 1061 O ALA A 71 -8.010 -1.233 2.071 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.652 -3.316 2.901 1.00 1.00 C ATOM 0 H ALA A 71 -4.100 -1.617 3.780 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.622 -1.776 1.396 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.464 -3.873 2.433 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.696 -3.735 2.587 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.741 -3.387 3.985 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.198 -0.854 4.132 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.453 -0.300 4.631 1.00 1.00 C ATOM 1070 C ASP A 72 -8.823 0.987 3.896 1.00 1.00 C ATOM 1071 O ASP A 72 -9.971 1.180 3.502 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.331 -0.009 6.128 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.646 0.544 6.664 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.559 0.717 5.873 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -9.726 0.773 7.859 1.00 1.00 O ATOM 0 H ASP A 72 -6.443 -0.882 4.817 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.238 -1.036 4.456 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.066 -0.921 6.663 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.528 0.707 6.303 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.841 1.866 3.722 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.075 3.136 3.041 1.00 1.00 C ATOM 1082 C VAL A 73 -8.432 2.889 1.579 1.00 1.00 C ATOM 1083 O VAL A 73 -9.312 3.545 1.024 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.832 4.028 3.140 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -7.117 5.375 2.463 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.463 4.266 4.618 1.00 1.00 C ATOM 0 H VAL A 73 -6.882 1.725 4.040 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.909 3.645 3.525 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.999 3.532 2.642 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -6.234 6.011 2.532 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.364 5.210 1.414 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.955 5.862 2.961 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.579 4.901 4.675 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.294 4.755 5.126 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.255 3.310 5.100 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.736 1.941 0.956 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.985 1.626 -0.447 1.00 1.00 C ATOM 1098 C ILE A 74 -9.425 1.162 -0.643 1.00 1.00 C ATOM 1099 O ILE A 74 -10.086 1.568 -1.598 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.011 0.536 -0.931 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.607 1.127 -1.033 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.452 -0.010 -2.300 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.585 -0.011 -1.111 1.00 1.00 C ATOM 0 H ILE A 74 -7.003 1.384 1.395 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.825 2.529 -1.035 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.011 -0.287 -0.217 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.530 1.762 -1.916 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.401 1.758 -0.168 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.753 -0.779 -2.627 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.450 -0.439 -2.216 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.466 0.801 -3.028 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.581 0.406 -1.184 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.658 -0.627 -0.215 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.788 -0.623 -1.990 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.906 0.320 0.260 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.272 -0.176 0.161 1.00 1.00 C ATOM 1117 C GLU A 75 -12.242 0.970 -0.097 1.00 1.00 C ATOM 1118 O GLU A 75 -13.110 0.874 -0.965 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.654 -0.911 1.451 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.049 -2.311 1.447 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.386 -3.012 2.751 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.987 -2.378 3.604 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.040 -4.170 2.881 1.00 1.00 O ATOM 0 H GLU A 75 -9.379 -0.031 1.060 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.331 -0.871 -0.677 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.298 -0.353 2.317 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.739 -0.974 1.537 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.435 -2.883 0.604 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.968 -2.251 1.323 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.092 2.051 0.653 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.967 3.203 0.481 1.00 1.00 C ATOM 1132 C GLY A 76 -12.743 3.871 -0.871 1.00 1.00 C ATOM 1133 O GLY A 76 -13.692 4.249 -1.553 1.00 1.00 O ATOM 0 H GLY A 76 -11.382 2.156 1.378 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.007 2.888 0.566 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.786 3.923 1.279 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.481 4.004 -1.258 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.133 4.632 -2.531 1.00 1.00 C ATOM 1139 C LEU A 77 -11.692 3.834 -3.697 1.00 1.00 C ATOM 1140 O LEU A 77 -12.076 4.395 -4.721 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.611 4.740 -2.652 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.085 5.811 -1.684 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.567 5.652 -1.536 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.404 7.226 -2.212 1.00 1.00 C ATOM 0 H LEU A 77 -10.681 3.687 -0.711 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.571 5.630 -2.559 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.150 3.778 -2.429 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.336 4.995 -3.675 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.572 5.683 -0.717 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.187 6.409 -0.850 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.342 4.661 -1.143 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.092 5.773 -2.509 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.023 7.970 -1.512 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.931 7.367 -3.184 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.483 7.342 -2.313 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.739 2.525 -3.536 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.254 1.663 -4.583 1.00 1.00 C ATOM 1158 C LEU A 78 -13.706 2.002 -4.887 1.00 1.00 C ATOM 1159 O LEU A 78 -14.143 1.916 -6.036 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.136 0.192 -4.151 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.728 -0.346 -4.457 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.495 -1.638 -3.667 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.580 -0.646 -5.959 1.00 1.00 C ATOM 0 H LEU A 78 -11.429 2.037 -2.695 1.00 1.00 H new ATOM 0 HA LEU A 78 -11.666 1.820 -5.487 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.343 0.102 -3.085 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.882 -0.408 -4.672 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.996 0.409 -4.170 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.498 -2.021 -3.882 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.582 -1.433 -2.600 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.239 -2.380 -3.956 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.578 -1.026 -6.157 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.316 -1.393 -6.255 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.741 0.268 -6.530 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.460 2.381 -3.859 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.869 2.720 -4.035 1.00 1.00 C ATOM 1177 C GLU A 79 -16.045 4.232 -4.030 1.00 1.00 C ATOM 1178 O GLU A 79 -17.021 4.752 -4.574 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.708 2.065 -2.908 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.785 1.613 -1.776 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.609 1.106 -0.600 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.610 0.454 -0.842 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.227 1.381 0.526 1.00 1.00 O ATOM 0 H GLU A 79 -14.121 2.461 -2.900 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.217 2.338 -4.995 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -17.443 2.775 -2.529 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.261 1.212 -3.302 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.120 0.825 -2.131 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.154 2.443 -1.457 1.00 1.00 H new ATOM 1190 N LYS A 80 -15.103 4.927 -3.401 1.00 1.00 N ATOM 1191 CA LYS A 80 -15.174 6.372 -3.310 1.00 1.00 C ATOM 1192 C LYS A 80 -14.045 6.917 -2.435 1.00 1.00 C ATOM 1193 O LYS A 80 -13.174 7.641 -2.912 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.535 6.777 -2.715 1.00 1.00 C ATOM 1195 CG LYS A 80 -16.960 5.788 -1.588 1.00 1.00 C ATOM 1196 CD LYS A 80 -17.222 6.550 -0.296 1.00 1.00 C ATOM 1197 CE LYS A 80 -17.599 5.553 0.793 1.00 1.00 C ATOM 1198 NZ LYS A 80 -17.824 6.283 2.072 1.00 1.00 N ATOM 0 H LYS A 80 -14.288 4.511 -2.951 1.00 1.00 H new ATOM 0 HA LYS A 80 -15.066 6.793 -4.310 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.476 7.789 -2.314 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -17.291 6.789 -3.500 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.857 5.246 -1.888 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -16.177 5.046 -1.430 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.335 7.112 -0.003 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -18.025 7.273 -0.440 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -18.500 5.009 0.508 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -16.806 4.815 0.917 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -18.082 5.605 2.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -16.954 6.783 2.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -18.594 6.971 1.948 1.00 1.00 H new ATOM 1212 N LYS A 81 -14.075 6.561 -1.153 1.00 1.00 N ATOM 1213 CA LYS A 81 -13.057 7.014 -0.206 1.00 1.00 C ATOM 1214 C LYS A 81 -13.346 6.485 1.199 1.00 1.00 C ATOM 1215 O LYS A 81 -14.486 6.156 1.530 1.00 1.00 O ATOM 1216 CB LYS A 81 -13.016 8.547 -0.163 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.435 9.097 -0.005 1.00 1.00 C ATOM 1218 CD LYS A 81 -14.387 10.623 0.083 1.00 1.00 C ATOM 1219 CE LYS A 81 -15.809 11.166 0.236 1.00 1.00 C ATOM 1220 NZ LYS A 81 -15.761 12.650 0.348 1.00 1.00 N ATOM 0 H LYS A 81 -14.792 5.961 -0.745 1.00 1.00 H new ATOM 0 HA LYS A 81 -12.094 6.629 -0.542 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -12.392 8.881 0.666 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -12.565 8.934 -1.077 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -15.051 8.791 -0.851 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.898 8.685 0.892 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -13.775 10.931 0.931 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -13.922 11.036 -0.812 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -16.416 10.874 -0.621 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -16.280 10.738 1.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -16.727 13.022 0.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -15.196 12.917 1.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -15.327 13.049 -0.509 1.00 1.00 H new ATOM 1234 N ALA A 82 -12.305 6.418 2.024 1.00 1.00 N ATOM 1235 CA ALA A 82 -12.453 5.939 3.394 1.00 1.00 C ATOM 1236 C ALA A 82 -13.562 6.698 4.112 1.00 1.00 C ATOM 1237 O ALA A 82 -13.913 7.772 3.650 1.00 1.00 O ATOM 1238 CB ALA A 82 -11.137 6.117 4.154 1.00 1.00 C ATOM 1239 OXT ALA A 82 -14.047 6.196 5.113 1.00 1.00 O ATOM 0 H ALA A 82 -11.355 6.688 1.769 1.00 1.00 H new ATOM 0 HA ALA A 82 -12.715 4.881 3.362 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -11.256 5.757 5.176 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -10.351 5.548 3.658 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -10.866 7.173 4.170 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 11.411 10.738 -0.262 1.00 1.00 O HETATM 1247 P24 PNS A 101 11.214 12.334 -0.328 1.00 1.00 P HETATM 1248 O25 PNS A 101 12.045 12.946 0.732 1.00 1.00 O HETATM 1249 O26 PNS A 101 11.376 12.766 -1.734 1.00 1.00 O HETATM 1250 O27 PNS A 101 9.667 12.513 0.078 1.00 1.00 O HETATM 1251 C28 PNS A 101 9.234 13.689 0.749 1.00 1.00 C HETATM 1252 C29 PNS A 101 7.730 13.587 1.029 1.00 1.00 C HETATM 1253 C30 PNS A 101 7.463 12.492 2.056 1.00 1.00 C HETATM 1254 C31 PNS A 101 6.999 13.266 -0.282 1.00 1.00 C HETATM 1255 C32 PNS A 101 7.220 14.905 1.597 1.00 1.00 C HETATM 1256 O33 PNS A 101 5.825 14.790 1.809 1.00 1.00 O HETATM 1257 C34 PNS A 101 7.918 15.220 2.918 1.00 1.00 C HETATM 1258 O35 PNS A 101 9.006 15.793 2.935 1.00 1.00 O HETATM 1259 N36 PNS A 101 7.284 14.838 4.020 1.00 1.00 N HETATM 1260 C37 PNS A 101 7.854 15.085 5.339 1.00 1.00 C HETATM 1261 C38 PNS A 101 7.174 14.196 6.381 1.00 1.00 C HETATM 1262 C39 PNS A 101 7.439 14.735 7.783 1.00 1.00 C HETATM 1263 O40 PNS A 101 8.572 15.075 8.122 1.00 1.00 O HETATM 1264 N41 PNS A 101 6.386 14.814 8.590 1.00 1.00 N HETATM 1265 C42 PNS A 101 6.517 15.317 9.952 1.00 1.00 C HETATM 1266 C43 PNS A 101 7.400 14.383 10.781 1.00 1.00 C HETATM 1267 S44 PNS A 101 6.970 12.685 10.421 1.00 1.00 S HETATM 0 H432 PNS A 101 8.451 14.560 10.552 1.00 1.00 H new HETATM 0 H431 PNS A 101 7.266 14.586 11.844 1.00 1.00 H new HETATM 0 H422 PNS A 101 5.532 15.401 10.412 1.00 1.00 H new HETATM 0 H421 PNS A 101 6.948 16.318 9.937 1.00 1.00 H new HETATM 0 H382 PNS A 101 7.547 13.175 6.299 1.00 1.00 H new HETATM 0 H381 PNS A 101 6.101 14.159 6.194 1.00 1.00 H new HETATM 0 H372 PNS A 101 7.729 16.134 5.607 1.00 1.00 H new HETATM 0 H371 PNS A 101 8.926 14.886 5.324 1.00 1.00 H new HETATM 0 H313 PNS A 101 5.928 13.191 -0.093 1.00 1.00 H new HETATM 0 H312 PNS A 101 7.364 12.319 -0.680 1.00 1.00 H new HETATM 0 H311 PNS A 101 7.185 14.059 -1.006 1.00 1.00 H new HETATM 0 H303 PNS A 101 6.392 12.427 2.248 1.00 1.00 H new HETATM 0 H302 PNS A 101 7.985 12.728 2.984 1.00 1.00 H new HETATM 0 H301 PNS A 101 7.821 11.537 1.671 1.00 1.00 H new HETATM 0 H282 PNS A 101 9.443 14.568 0.139 1.00 1.00 H new HETATM 0 H281 PNS A 101 9.782 13.811 1.683 1.00 1.00 H new HETATM 0 H41 PNS A 101 5.471 14.518 8.251 1.00 1.00 H new HETATM 0 H36 PNS A 101 6.384 14.364 3.943 1.00 1.00 H new HETATM 0 H33 PNS A 101 5.480 15.630 2.177 1.00 1.00 H new HETATM 0 H32 PNS A 101 7.431 15.713 0.896 1.00 1.00 H new HETATM 1288 C1 STE A 102 5.411 12.434 9.689 1.00 1.00 C HETATM 1289 O1 STE A 102 4.648 13.334 9.429 1.00 1.00 O HETATM 1290 C2 STE A 102 5.150 10.981 9.428 1.00 1.00 C HETATM 1291 C3 STE A 102 6.350 10.353 8.714 1.00 1.00 C HETATM 1292 C4 STE A 102 5.935 9.015 8.106 1.00 1.00 C HETATM 1293 C5 STE A 102 7.184 8.241 7.682 1.00 1.00 C HETATM 1294 C6 STE A 102 6.792 6.836 7.216 1.00 1.00 C HETATM 1295 C7 STE A 102 6.190 6.899 5.808 1.00 1.00 C HETATM 1296 C8 STE A 102 6.094 5.486 5.225 1.00 1.00 C HETATM 1297 C9 STE A 102 5.836 5.580 3.726 1.00 1.00 C HETATM 1298 C10 STE A 102 4.440 6.162 3.474 1.00 1.00 C HETATM 1299 C11 STE A 102 4.034 5.907 2.016 1.00 1.00 C HETATM 1300 C12 STE A 102 3.375 4.524 1.890 1.00 1.00 C HETATM 1301 C13 STE A 102 3.261 4.113 0.408 1.00 1.00 C HETATM 1302 C14 STE A 102 1.927 4.607 -0.175 1.00 1.00 C HETATM 1303 C15 STE A 102 0.835 3.574 0.096 1.00 1.00 C HETATM 1304 C16 STE A 102 -0.452 4.014 -0.584 1.00 1.00 C HETATM 1305 C17 STE A 102 -1.594 3.039 -0.227 1.00 1.00 C HETATM 1306 C18 STE A 102 -2.559 2.894 -1.417 1.00 1.00 C HETATM 0 H183 STE A 102 -2.984 3.867 -1.661 1.00 1.00 H new HETATM 0 H182 STE A 102 -2.017 2.508 -2.280 1.00 1.00 H new HETATM 0 H181 STE A 102 -3.360 2.204 -1.154 1.00 1.00 H new HETATM 0 H172 STE A 102 -1.182 2.065 0.037 1.00 1.00 H new HETATM 0 H171 STE A 102 -2.134 3.404 0.647 1.00 1.00 H new HETATM 0 H162 STE A 102 -0.713 5.024 -0.269 1.00 1.00 H new HETATM 0 H161 STE A 102 -0.311 4.043 -1.664 1.00 1.00 H new HETATM 0 H152 STE A 102 1.142 2.597 -0.278 1.00 1.00 H new HETATM 0 H151 STE A 102 0.676 3.469 1.169 1.00 1.00 H new HETATM 0 H142 STE A 102 1.656 5.564 0.272 1.00 1.00 H new HETATM 0 H141 STE A 102 2.027 4.773 -1.248 1.00 1.00 H new HETATM 0 H132 STE A 102 4.092 4.532 -0.159 1.00 1.00 H new HETATM 0 H131 STE A 102 3.328 3.029 0.317 1.00 1.00 H new HETATM 0 H122 STE A 102 3.962 3.784 2.435 1.00 1.00 H new HETATM 0 H121 STE A 102 2.385 4.544 2.345 1.00 1.00 H new HETATM 0 H112 STE A 102 3.343 6.681 1.681 1.00 1.00 H new HETATM 0 H111 STE A 102 4.911 5.962 1.370 1.00 1.00 H new HETATM 0 H102 STE A 102 3.717 5.705 4.149 1.00 1.00 H new HETATM 0 H101 STE A 102 4.438 7.232 3.681 1.00 1.00 H new HETATM 0 H92 STE A 102 6.592 6.209 3.256 1.00 1.00 H new HETATM 0 H91 STE A 102 5.916 4.592 3.271 1.00 1.00 H new HETATM 0 H82 STE A 102 7.017 4.938 5.414 1.00 1.00 H new HETATM 0 H81 STE A 102 5.290 4.933 5.711 1.00 1.00 H new HETATM 0 H72 STE A 102 5.201 7.356 5.845 1.00 1.00 H new HETATM 0 H71 STE A 102 6.807 7.527 5.166 1.00 1.00 H new HETATM 0 H62 STE A 102 7.667 6.186 7.217 1.00 1.00 H new HETATM 0 H61 STE A 102 6.072 6.402 7.909 1.00 1.00 H new HETATM 0 H52 STE A 102 7.696 8.771 6.878 1.00 1.00 H new HETATM 0 H51 STE A 102 7.883 8.175 8.516 1.00 1.00 H new HETATM 0 H42 STE A 102 5.363 8.435 8.831 1.00 1.00 H new HETATM 0 H41 STE A 102 5.286 9.179 7.246 1.00 1.00 H new HETATM 0 H32 STE A 102 6.714 11.022 7.934 1.00 1.00 H new HETATM 0 H31 STE A 102 7.170 10.207 9.417 1.00 1.00 H new HETATM 0 H22 STE A 102 4.963 10.462 10.368 1.00 1.00 H new HETATM 0 H21 STE A 102 4.254 10.868 8.818 1.00 1.00 H new