USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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+ 168:sc= -4.58! (180deg=-3.78!) USER MOD Set 1.2: A 47 ASN : amide:sc= -6.4! C(o=-11!,f=-22!) USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0159 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.151) USER MOD Single : A 5 THR OG1 : rot -120:sc= -0.682 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -88:sc= -0.35 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 29 SER OG : rot -76:sc= 1.29 USER MOD Single : A 32 SER OG : rot 180:sc= -0.026 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 62:sc= 0.99 USER MOD Single : A 46 MET CE :methyl 151:sc= -0.156 (180deg=-1.69) USER MOD Single : A 55 ASN : amide:sc= -0.684! K(o=-0.68!,f=-1.5) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0823 (180deg=-0.546) USER MOD Single : A 62 GLN : amide:sc= 0.203 K(o=0.2,f=-4.2!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.36 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.74! C(o=-9.4!,f=-2.7!) USER MOD Single : A 69 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.3) USER MOD Single : A 80 LYS NZ :NH3+ -136:sc= -2.3 (180deg=-5.31!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 107:sc= -0.153 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.436 -7.905 1.249 1.00 1.00 N ATOM 2 CA ALA A 1 -9.468 -7.791 0.121 1.00 1.00 C ATOM 3 C ALA A 1 -9.108 -9.188 -0.373 1.00 1.00 C ATOM 4 O ALA A 1 -8.903 -10.105 0.421 1.00 1.00 O ATOM 5 CB ALA A 1 -8.209 -7.067 0.603 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.211 -7.193 1.973 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.401 -7.746 0.896 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.372 -8.855 1.667 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.915 -7.224 -0.695 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.500 -6.983 -0.221 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.475 -6.071 0.956 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.754 -7.631 1.417 1.00 1.00 H new ATOM 13 N LYS A 2 -9.027 -9.341 -1.689 1.00 1.00 N ATOM 14 CA LYS A 2 -8.685 -10.628 -2.282 1.00 1.00 C ATOM 15 C LYS A 2 -7.170 -10.806 -2.295 1.00 1.00 C ATOM 16 O LYS A 2 -6.417 -9.835 -2.258 1.00 1.00 O ATOM 17 CB LYS A 2 -9.225 -10.703 -3.725 1.00 1.00 C ATOM 18 CG LYS A 2 -9.194 -9.298 -4.372 1.00 1.00 C ATOM 19 CD LYS A 2 -10.544 -8.600 -4.171 1.00 1.00 C ATOM 20 CE LYS A 2 -10.504 -7.221 -4.818 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.808 -6.541 -4.603 1.00 1.00 N ATOM 0 H LYS A 2 -9.193 -8.594 -2.363 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.137 -11.422 -1.688 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.623 -11.397 -4.312 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.244 -11.089 -3.722 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.397 -8.701 -3.928 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.974 -9.383 -5.436 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.343 -9.197 -4.611 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.763 -8.508 -3.107 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.696 -6.628 -4.389 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.300 -7.313 -5.885 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.785 -5.599 -5.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.569 -7.105 -5.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.984 -6.442 -3.583 1.00 1.00 H new ATOM 35 N LYS A 3 -6.739 -12.051 -2.357 1.00 1.00 N ATOM 36 CA LYS A 3 -5.319 -12.368 -2.382 1.00 1.00 C ATOM 37 C LYS A 3 -4.664 -11.793 -3.635 1.00 1.00 C ATOM 38 O LYS A 3 -3.437 -11.700 -3.722 1.00 1.00 O ATOM 39 CB LYS A 3 -5.124 -13.896 -2.342 1.00 1.00 C ATOM 40 CG LYS A 3 -6.302 -14.607 -3.018 1.00 1.00 C ATOM 41 CD LYS A 3 -6.481 -14.084 -4.451 1.00 1.00 C ATOM 42 CE LYS A 3 -7.250 -15.098 -5.283 1.00 1.00 C ATOM 43 NZ LYS A 3 -8.608 -15.279 -4.700 1.00 1.00 N ATOM 0 H LYS A 3 -7.353 -12.865 -2.391 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.846 -11.921 -1.507 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.194 -14.163 -2.844 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.035 -14.230 -1.308 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.127 -15.683 -3.034 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -7.214 -14.441 -2.445 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.015 -13.134 -4.436 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -5.507 -13.895 -4.902 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -7.327 -14.756 -6.315 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -6.719 -16.050 -5.301 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -9.210 -15.792 -5.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.537 -15.823 -3.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -9.027 -14.348 -4.501 1.00 1.00 H new ATOM 57 N GLU A 4 -5.484 -11.424 -4.607 1.00 1.00 N ATOM 58 CA GLU A 4 -4.972 -10.875 -5.852 1.00 1.00 C ATOM 59 C GLU A 4 -4.539 -9.428 -5.660 1.00 1.00 C ATOM 60 O GLU A 4 -3.486 -9.018 -6.140 1.00 1.00 O ATOM 61 CB GLU A 4 -6.043 -10.958 -6.948 1.00 1.00 C ATOM 62 CG GLU A 4 -5.389 -10.804 -8.329 1.00 1.00 C ATOM 63 CD GLU A 4 -4.868 -9.381 -8.502 1.00 1.00 C ATOM 64 OE1 GLU A 4 -5.483 -8.477 -7.959 1.00 1.00 O ATOM 65 OE2 GLU A 4 -3.859 -9.217 -9.167 1.00 1.00 O ATOM 0 H GLU A 4 -6.500 -11.494 -4.558 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.105 -11.462 -6.156 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.565 -11.913 -6.887 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.789 -10.177 -6.800 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.570 -11.516 -8.434 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.113 -11.033 -9.111 1.00 1.00 H new ATOM 72 N THR A 5 -5.365 -8.664 -4.956 1.00 1.00 N ATOM 73 CA THR A 5 -5.070 -7.259 -4.702 1.00 1.00 C ATOM 74 C THR A 5 -3.787 -7.119 -3.893 1.00 1.00 C ATOM 75 O THR A 5 -2.956 -6.257 -4.172 1.00 1.00 O ATOM 76 CB THR A 5 -6.229 -6.608 -3.943 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.395 -6.638 -4.753 1.00 1.00 O ATOM 78 CG2 THR A 5 -5.874 -5.158 -3.612 1.00 1.00 C ATOM 0 H THR A 5 -6.242 -8.992 -4.552 1.00 1.00 H new ATOM 0 HA THR A 5 -4.938 -6.757 -5.661 1.00 1.00 H new ATOM 0 HB THR A 5 -6.412 -7.154 -3.018 1.00 1.00 H new ATOM 0 HG1 THR A 5 -7.706 -5.722 -4.913 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.700 -4.695 -3.072 1.00 1.00 H new ATOM 0 HG22 THR A 5 -4.977 -5.135 -2.993 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.691 -4.608 -4.535 1.00 1.00 H new ATOM 86 N ILE A 6 -3.637 -7.970 -2.886 1.00 1.00 N ATOM 87 CA ILE A 6 -2.455 -7.932 -2.034 1.00 1.00 C ATOM 88 C ILE A 6 -1.191 -8.097 -2.870 1.00 1.00 C ATOM 89 O ILE A 6 -0.174 -7.454 -2.608 1.00 1.00 O ATOM 90 CB ILE A 6 -2.521 -9.051 -0.994 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.854 -8.971 -0.244 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.367 -8.895 0.001 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.990 -10.169 0.708 1.00 1.00 C ATOM 0 H ILE A 6 -4.315 -8.691 -2.640 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.427 -6.966 -1.529 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.441 -10.016 -1.494 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.909 -8.039 0.319 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.681 -8.964 -0.954 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.415 -9.693 0.742 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.418 -8.951 -0.531 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.446 -7.930 0.502 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.940 -10.106 1.238 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -3.955 -11.095 0.134 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.171 -10.157 1.428 1.00 1.00 H new ATOM 105 N ASP A 7 -1.259 -8.964 -3.873 1.00 1.00 N ATOM 106 CA ASP A 7 -0.112 -9.207 -4.736 1.00 1.00 C ATOM 107 C ASP A 7 0.281 -7.933 -5.470 1.00 1.00 C ATOM 108 O ASP A 7 1.465 -7.625 -5.601 1.00 1.00 O ATOM 109 CB ASP A 7 -0.444 -10.302 -5.753 1.00 1.00 C ATOM 110 CG ASP A 7 0.768 -10.582 -6.637 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.746 -9.863 -6.512 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.700 -11.512 -7.422 1.00 1.00 O ATOM 0 H ASP A 7 -2.090 -9.507 -4.107 1.00 1.00 H new ATOM 0 HA ASP A 7 0.724 -9.530 -4.116 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.743 -11.213 -5.234 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.289 -9.993 -6.368 1.00 1.00 H new ATOM 117 N LYS A 8 -0.713 -7.198 -5.955 1.00 1.00 N ATOM 118 CA LYS A 8 -0.446 -5.965 -6.684 1.00 1.00 C ATOM 119 C LYS A 8 0.207 -4.928 -5.779 1.00 1.00 C ATOM 120 O LYS A 8 1.220 -4.327 -6.138 1.00 1.00 O ATOM 121 CB LYS A 8 -1.747 -5.399 -7.239 1.00 1.00 C ATOM 122 CG LYS A 8 -2.528 -6.509 -7.973 1.00 1.00 C ATOM 123 CD LYS A 8 -3.384 -5.895 -9.084 1.00 1.00 C ATOM 124 CE LYS A 8 -4.292 -4.818 -8.490 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.370 -4.490 -9.463 1.00 1.00 N ATOM 0 H LYS A 8 -1.701 -7.431 -5.858 1.00 1.00 H new ATOM 0 HA LYS A 8 0.236 -6.196 -7.502 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.352 -4.991 -6.429 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.534 -4.578 -7.923 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.834 -7.235 -8.396 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.162 -7.047 -7.268 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.745 -5.463 -9.854 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.984 -6.668 -9.565 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.726 -5.168 -7.554 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.712 -3.925 -8.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.989 -3.757 -9.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.946 -4.139 -10.346 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.929 -5.344 -9.663 1.00 1.00 H new ATOM 139 N VAL A 9 -0.380 -4.724 -4.606 1.00 1.00 N ATOM 140 CA VAL A 9 0.154 -3.757 -3.660 1.00 1.00 C ATOM 141 C VAL A 9 1.535 -4.190 -3.179 1.00 1.00 C ATOM 142 O VAL A 9 2.463 -3.393 -3.136 1.00 1.00 O ATOM 143 CB VAL A 9 -0.787 -3.623 -2.461 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.227 -2.594 -1.475 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.166 -3.169 -2.938 1.00 1.00 C ATOM 0 H VAL A 9 -1.219 -5.211 -4.290 1.00 1.00 H new ATOM 0 HA VAL A 9 0.240 -2.793 -4.162 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.873 -4.590 -1.965 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.901 -2.502 -0.623 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.754 -2.919 -1.128 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.135 -1.628 -1.971 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.834 -3.074 -2.082 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.079 -2.205 -3.438 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.570 -3.904 -3.634 1.00 1.00 H new ATOM 155 N SER A 10 1.664 -5.460 -2.823 1.00 1.00 N ATOM 156 CA SER A 10 2.939 -5.984 -2.346 1.00 1.00 C ATOM 157 C SER A 10 4.014 -5.860 -3.419 1.00 1.00 C ATOM 158 O SER A 10 5.162 -5.522 -3.125 1.00 1.00 O ATOM 159 CB SER A 10 2.781 -7.449 -1.947 1.00 1.00 C ATOM 160 OG SER A 10 2.335 -8.194 -3.071 1.00 1.00 O ATOM 0 H SER A 10 0.908 -6.144 -2.854 1.00 1.00 H new ATOM 0 HA SER A 10 3.246 -5.399 -1.479 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.731 -7.845 -1.587 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.067 -7.540 -1.129 1.00 1.00 H new ATOM 0 HG SER A 10 1.356 -8.182 -3.104 1.00 1.00 H new ATOM 166 N ASP A 11 3.639 -6.137 -4.662 1.00 1.00 N ATOM 167 CA ASP A 11 4.583 -6.055 -5.770 1.00 1.00 C ATOM 168 C ASP A 11 5.127 -4.639 -5.913 1.00 1.00 C ATOM 169 O ASP A 11 6.322 -4.436 -6.098 1.00 1.00 O ATOM 170 CB ASP A 11 3.898 -6.466 -7.067 1.00 1.00 C ATOM 171 CG ASP A 11 4.933 -6.648 -8.174 1.00 1.00 C ATOM 172 OD1 ASP A 11 6.108 -6.711 -7.854 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.533 -6.724 -9.324 1.00 1.00 O ATOM 0 H ASP A 11 2.695 -6.418 -4.927 1.00 1.00 H new ATOM 0 HA ASP A 11 5.412 -6.731 -5.562 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.347 -7.395 -6.918 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.171 -5.708 -7.359 1.00 1.00 H new ATOM 178 N ILE A 12 4.243 -3.664 -5.831 1.00 1.00 N ATOM 179 CA ILE A 12 4.648 -2.271 -5.944 1.00 1.00 C ATOM 180 C ILE A 12 5.437 -1.841 -4.712 1.00 1.00 C ATOM 181 O ILE A 12 6.426 -1.119 -4.815 1.00 1.00 O ATOM 182 CB ILE A 12 3.418 -1.380 -6.103 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.622 -1.827 -7.340 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.859 0.077 -6.280 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.198 -1.292 -7.247 1.00 1.00 C ATOM 0 H ILE A 12 3.243 -3.806 -5.687 1.00 1.00 H new ATOM 0 HA ILE A 12 5.285 -2.168 -6.823 1.00 1.00 H new ATOM 0 HB ILE A 12 2.792 -1.463 -5.215 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.102 -1.459 -8.247 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.610 -2.915 -7.404 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.980 0.712 -6.393 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.426 0.395 -5.405 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.485 0.162 -7.168 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.633 -1.608 -8.124 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.721 -1.681 -6.348 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.221 -0.203 -7.203 1.00 1.00 H new ATOM 197 N VAL A 13 4.973 -2.264 -3.547 1.00 1.00 N ATOM 198 CA VAL A 13 5.635 -1.887 -2.298 1.00 1.00 C ATOM 199 C VAL A 13 7.035 -2.486 -2.204 1.00 1.00 C ATOM 200 O VAL A 13 8.006 -1.779 -1.940 1.00 1.00 O ATOM 201 CB VAL A 13 4.802 -2.365 -1.103 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.572 -2.120 0.201 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.474 -1.601 -1.068 1.00 1.00 C ATOM 0 H VAL A 13 4.153 -2.860 -3.435 1.00 1.00 H new ATOM 0 HA VAL A 13 5.723 -0.801 -2.284 1.00 1.00 H new ATOM 0 HB VAL A 13 4.605 -3.432 -1.206 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.974 -2.462 1.046 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.513 -2.669 0.176 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.776 -1.055 0.308 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.881 -1.940 -0.219 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.671 -0.533 -0.970 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.924 -1.785 -1.991 1.00 1.00 H new ATOM 213 N LYS A 14 7.132 -3.786 -2.416 1.00 1.00 N ATOM 214 CA LYS A 14 8.419 -4.465 -2.340 1.00 1.00 C ATOM 215 C LYS A 14 9.373 -3.945 -3.410 1.00 1.00 C ATOM 216 O LYS A 14 10.576 -3.824 -3.179 1.00 1.00 O ATOM 217 CB LYS A 14 8.211 -5.972 -2.507 1.00 1.00 C ATOM 218 CG LYS A 14 7.907 -6.297 -3.968 1.00 1.00 C ATOM 219 CD LYS A 14 7.341 -7.713 -4.079 1.00 1.00 C ATOM 220 CE LYS A 14 8.254 -8.691 -3.340 1.00 1.00 C ATOM 221 NZ LYS A 14 7.954 -10.078 -3.781 1.00 1.00 N ATOM 0 H LYS A 14 6.343 -4.392 -2.641 1.00 1.00 H new ATOM 0 HA LYS A 14 8.864 -4.264 -1.365 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.103 -6.509 -2.184 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.390 -6.307 -1.873 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.192 -5.578 -4.369 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.815 -6.211 -4.565 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.337 -7.748 -3.657 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.256 -8.000 -5.127 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.299 -8.452 -3.540 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.107 -8.600 -2.264 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.575 -10.744 -3.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.961 -10.303 -3.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.116 -10.159 -4.805 1.00 1.00 H new ATOM 235 N GLU A 15 8.824 -3.644 -4.577 1.00 1.00 N ATOM 236 CA GLU A 15 9.626 -3.136 -5.681 1.00 1.00 C ATOM 237 C GLU A 15 10.076 -1.704 -5.413 1.00 1.00 C ATOM 238 O GLU A 15 11.165 -1.295 -5.815 1.00 1.00 O ATOM 239 CB GLU A 15 8.821 -3.189 -6.981 1.00 1.00 C ATOM 240 CG GLU A 15 8.721 -4.642 -7.464 1.00 1.00 C ATOM 241 CD GLU A 15 10.074 -5.115 -7.978 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.883 -4.271 -8.327 1.00 1.00 O ATOM 243 OE2 GLU A 15 10.285 -6.317 -8.015 1.00 1.00 O ATOM 0 H GLU A 15 7.830 -3.742 -4.784 1.00 1.00 H new ATOM 0 HA GLU A 15 10.511 -3.765 -5.776 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.824 -2.779 -6.820 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.300 -2.574 -7.743 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.389 -5.283 -6.647 1.00 1.00 H new ATOM 0 HG3 GLU A 15 7.975 -4.720 -8.255 1.00 1.00 H new ATOM 250 N LYS A 16 9.223 -0.943 -4.754 1.00 1.00 N ATOM 251 CA LYS A 16 9.532 0.443 -4.441 1.00 1.00 C ATOM 252 C LYS A 16 10.570 0.544 -3.336 1.00 1.00 C ATOM 253 O LYS A 16 11.365 1.483 -3.301 1.00 1.00 O ATOM 254 CB LYS A 16 8.262 1.173 -4.018 1.00 1.00 C ATOM 255 CG LYS A 16 7.358 1.392 -5.252 1.00 1.00 C ATOM 256 CD LYS A 16 7.704 2.727 -5.936 1.00 1.00 C ATOM 257 CE LYS A 16 6.968 3.874 -5.240 1.00 1.00 C ATOM 258 NZ LYS A 16 7.207 5.132 -5.990 1.00 1.00 N ATOM 0 H LYS A 16 8.311 -1.259 -4.424 1.00 1.00 H new ATOM 0 HA LYS A 16 9.944 0.906 -5.338 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.731 0.593 -3.263 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.515 2.131 -3.564 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.487 0.570 -5.956 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.311 1.391 -4.949 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.780 2.897 -5.898 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.424 2.690 -6.989 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.900 3.662 -5.193 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.318 3.977 -4.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 6.556 5.868 -5.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.189 5.443 -5.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 7.044 4.968 -7.004 1.00 1.00 H new ATOM 272 N LEU A 17 10.537 -0.411 -2.416 1.00 1.00 N ATOM 273 CA LEU A 17 11.466 -0.413 -1.288 1.00 1.00 C ATOM 274 C LEU A 17 12.684 -1.270 -1.584 1.00 1.00 C ATOM 275 O LEU A 17 13.603 -1.350 -0.771 1.00 1.00 O ATOM 276 CB LEU A 17 10.752 -0.942 -0.042 1.00 1.00 C ATOM 277 CG LEU A 17 9.512 -0.083 0.250 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.777 -0.650 1.468 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.928 1.370 0.531 1.00 1.00 C ATOM 0 H LEU A 17 9.881 -1.192 -2.426 1.00 1.00 H new ATOM 0 HA LEU A 17 11.804 0.609 -1.116 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.459 -1.981 -0.193 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.429 -0.923 0.812 1.00 1.00 H new ATOM 0 HG LEU A 17 8.853 -0.100 -0.618 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.897 -0.042 1.677 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.469 -1.675 1.263 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.441 -0.637 2.332 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.041 1.969 0.737 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.593 1.398 1.394 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.446 1.775 -0.339 1.00 1.00 H new ATOM 291 N ALA A 18 12.693 -1.895 -2.755 1.00 1.00 N ATOM 292 CA ALA A 18 13.816 -2.737 -3.148 1.00 1.00 C ATOM 293 C ALA A 18 13.573 -3.348 -4.524 1.00 1.00 C ATOM 294 O ALA A 18 12.630 -2.983 -5.217 1.00 1.00 O ATOM 295 CB ALA A 18 14.017 -3.851 -2.119 1.00 1.00 C ATOM 0 H ALA A 18 11.943 -1.836 -3.444 1.00 1.00 H new ATOM 0 HA ALA A 18 14.712 -2.118 -3.193 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.858 -4.476 -2.419 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.222 -3.412 -1.143 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.115 -4.460 -2.061 1.00 1.00 H new ATOM 301 N LEU A 19 14.432 -4.281 -4.911 1.00 1.00 N ATOM 302 CA LEU A 19 14.298 -4.933 -6.210 1.00 1.00 C ATOM 303 C LEU A 19 13.086 -5.851 -6.228 1.00 1.00 C ATOM 304 O LEU A 19 12.532 -6.142 -7.287 1.00 1.00 O ATOM 305 CB LEU A 19 15.557 -5.745 -6.513 1.00 1.00 C ATOM 306 CG LEU A 19 16.791 -4.847 -6.370 1.00 1.00 C ATOM 307 CD1 LEU A 19 18.054 -5.676 -6.620 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.720 -3.695 -7.388 1.00 1.00 C ATOM 0 H LEU A 19 15.222 -4.602 -4.352 1.00 1.00 H new ATOM 0 HA LEU A 19 14.166 -4.163 -6.970 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.629 -6.592 -5.831 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.506 -6.153 -7.523 1.00 1.00 H new ATOM 0 HG LEU A 19 16.820 -4.432 -5.363 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.933 -5.039 -6.519 1.00 1.00 H new ATOM 0 HD12 LEU A 19 18.107 -6.486 -5.893 1.00 1.00 H new ATOM 0 HD13 LEU A 19 18.022 -6.093 -7.626 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.600 -3.060 -7.281 1.00 1.00 H new ATOM 0 HD22 LEU A 19 16.688 -4.103 -8.398 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.822 -3.104 -7.207 1.00 1.00 H new ATOM 320 N GLY A 20 12.673 -6.300 -5.049 1.00 1.00 N ATOM 321 CA GLY A 20 11.517 -7.185 -4.934 1.00 1.00 C ATOM 322 C GLY A 20 11.953 -8.644 -4.851 1.00 1.00 C ATOM 323 O GLY A 20 11.223 -9.491 -4.344 1.00 1.00 O ATOM 0 H GLY A 20 13.118 -6.068 -4.161 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.940 -6.923 -4.047 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.861 -7.046 -5.793 1.00 1.00 H new ATOM 327 N ALA A 21 13.150 -8.929 -5.354 1.00 1.00 N ATOM 328 CA ALA A 21 13.677 -10.293 -5.334 1.00 1.00 C ATOM 329 C ALA A 21 14.519 -10.526 -4.086 1.00 1.00 C ATOM 330 O ALA A 21 14.610 -11.648 -3.590 1.00 1.00 O ATOM 331 CB ALA A 21 14.530 -10.539 -6.576 1.00 1.00 C ATOM 0 H ALA A 21 13.771 -8.240 -5.778 1.00 1.00 H new ATOM 0 HA ALA A 21 12.836 -10.986 -5.325 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.919 -11.557 -6.554 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.920 -10.403 -7.469 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.361 -9.833 -6.593 1.00 1.00 H new ATOM 337 N ASP A 22 15.135 -9.460 -3.583 1.00 1.00 N ATOM 338 CA ASP A 22 15.975 -9.556 -2.390 1.00 1.00 C ATOM 339 C ASP A 22 15.181 -9.208 -1.142 1.00 1.00 C ATOM 340 O ASP A 22 15.734 -9.144 -0.046 1.00 1.00 O ATOM 341 CB ASP A 22 17.165 -8.607 -2.516 1.00 1.00 C ATOM 342 CG ASP A 22 16.679 -7.190 -2.797 1.00 1.00 C ATOM 343 OD1 ASP A 22 15.486 -6.959 -2.680 1.00 1.00 O ATOM 344 OD2 ASP A 22 17.506 -6.356 -3.127 1.00 1.00 O ATOM 0 H ASP A 22 15.070 -8.523 -3.980 1.00 1.00 H new ATOM 0 HA ASP A 22 16.331 -10.583 -2.304 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.751 -8.623 -1.597 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.822 -8.940 -3.319 1.00 1.00 H new ATOM 349 N VAL A 23 13.881 -8.979 -1.311 1.00 1.00 N ATOM 350 CA VAL A 23 13.016 -8.630 -0.184 1.00 1.00 C ATOM 351 C VAL A 23 11.763 -9.493 -0.192 1.00 1.00 C ATOM 352 O VAL A 23 11.341 -9.975 -1.243 1.00 1.00 O ATOM 353 CB VAL A 23 12.615 -7.154 -0.278 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.977 -6.874 -1.641 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.616 -6.825 0.834 1.00 1.00 C ATOM 0 H VAL A 23 13.404 -9.028 -2.211 1.00 1.00 H new ATOM 0 HA VAL A 23 13.563 -8.804 0.743 1.00 1.00 H new ATOM 0 HB VAL A 23 13.503 -6.532 -0.165 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.694 -5.823 -1.701 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.692 -7.103 -2.431 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.090 -7.496 -1.762 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.330 -5.775 0.768 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.730 -7.450 0.723 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.075 -7.015 1.804 1.00 1.00 H new ATOM 365 N VAL A 24 11.167 -9.677 0.982 1.00 1.00 N ATOM 366 CA VAL A 24 9.948 -10.476 1.101 1.00 1.00 C ATOM 367 C VAL A 24 8.865 -9.670 1.804 1.00 1.00 C ATOM 368 O VAL A 24 9.071 -9.170 2.909 1.00 1.00 O ATOM 369 CB VAL A 24 10.240 -11.749 1.898 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.931 -12.489 2.179 1.00 1.00 C ATOM 371 CG2 VAL A 24 11.174 -12.648 1.086 1.00 1.00 C ATOM 0 H VAL A 24 11.505 -9.287 1.862 1.00 1.00 H new ATOM 0 HA VAL A 24 9.602 -10.746 0.103 1.00 1.00 H new ATOM 0 HB VAL A 24 10.715 -11.488 2.844 1.00 1.00 H new ATOM 0 HG11 VAL A 24 9.140 -13.396 2.747 1.00 1.00 H new ATOM 0 HG12 VAL A 24 8.266 -11.846 2.755 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.453 -12.754 1.236 1.00 1.00 H new ATOM 0 HG21 VAL A 24 11.385 -13.557 1.650 1.00 1.00 H new ATOM 0 HG22 VAL A 24 10.697 -12.910 0.141 1.00 1.00 H new ATOM 0 HG23 VAL A 24 12.106 -12.119 0.887 1.00 1.00 H new ATOM 381 N VAL A 25 7.709 -9.554 1.155 1.00 1.00 N ATOM 382 CA VAL A 25 6.580 -8.810 1.719 1.00 1.00 C ATOM 383 C VAL A 25 5.388 -9.734 1.932 1.00 1.00 C ATOM 384 O VAL A 25 5.047 -10.535 1.061 1.00 1.00 O ATOM 385 CB VAL A 25 6.186 -7.666 0.781 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.882 -7.025 1.271 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.302 -6.616 0.759 1.00 1.00 C ATOM 0 H VAL A 25 7.527 -9.964 0.239 1.00 1.00 H new ATOM 0 HA VAL A 25 6.882 -8.398 2.682 1.00 1.00 H new ATOM 0 HB VAL A 25 6.038 -8.056 -0.226 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.603 -6.211 0.602 1.00 1.00 H new ATOM 0 HG12 VAL A 25 4.090 -7.774 1.281 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.025 -6.634 2.278 1.00 1.00 H new ATOM 0 HG21 VAL A 25 7.022 -5.801 0.091 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.453 -6.225 1.765 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.226 -7.074 0.405 1.00 1.00 H new ATOM 397 N THR A 26 4.758 -9.614 3.096 1.00 1.00 N ATOM 398 CA THR A 26 3.593 -10.438 3.429 1.00 1.00 C ATOM 399 C THR A 26 2.485 -9.581 4.035 1.00 1.00 C ATOM 400 O THR A 26 2.732 -8.465 4.497 1.00 1.00 O ATOM 401 CB THR A 26 4.003 -11.543 4.416 1.00 1.00 C ATOM 402 OG1 THR A 26 4.987 -11.037 5.306 1.00 1.00 O ATOM 403 CG2 THR A 26 4.568 -12.738 3.652 1.00 1.00 C ATOM 0 H THR A 26 5.031 -8.956 3.826 1.00 1.00 H new ATOM 0 HA THR A 26 3.215 -10.894 2.514 1.00 1.00 H new ATOM 0 HB THR A 26 3.129 -11.864 4.982 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.249 -11.739 5.938 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.857 -13.517 4.357 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.810 -13.127 2.972 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.442 -12.424 3.080 1.00 1.00 H new ATOM 411 N ALA A 27 1.267 -10.112 4.025 1.00 1.00 N ATOM 412 CA ALA A 27 0.129 -9.399 4.570 1.00 1.00 C ATOM 413 C ALA A 27 0.353 -9.092 6.046 1.00 1.00 C ATOM 414 O ALA A 27 -0.190 -8.127 6.579 1.00 1.00 O ATOM 415 CB ALA A 27 -1.135 -10.247 4.402 1.00 1.00 C ATOM 0 H ALA A 27 1.048 -11.033 3.645 1.00 1.00 H new ATOM 0 HA ALA A 27 0.010 -8.458 4.032 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.990 -9.710 4.812 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.303 -10.443 3.343 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.012 -11.192 4.931 1.00 1.00 H new ATOM 421 N ASP A 28 1.149 -9.926 6.703 1.00 1.00 N ATOM 422 CA ASP A 28 1.432 -9.737 8.125 1.00 1.00 C ATOM 423 C ASP A 28 2.610 -8.788 8.318 1.00 1.00 C ATOM 424 O ASP A 28 2.897 -8.362 9.437 1.00 1.00 O ATOM 425 CB ASP A 28 1.755 -11.083 8.771 1.00 1.00 C ATOM 426 CG ASP A 28 1.693 -10.960 10.291 1.00 1.00 C ATOM 427 OD1 ASP A 28 0.672 -10.512 10.788 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.666 -11.315 10.936 1.00 1.00 O ATOM 0 H ASP A 28 1.608 -10.734 6.281 1.00 1.00 H new ATOM 0 HA ASP A 28 0.550 -9.304 8.597 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.047 -11.839 8.430 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.747 -11.414 8.465 1.00 1.00 H new ATOM 433 N SER A 29 3.291 -8.463 7.223 1.00 1.00 N ATOM 434 CA SER A 29 4.435 -7.565 7.290 1.00 1.00 C ATOM 435 C SER A 29 3.974 -6.121 7.434 1.00 1.00 C ATOM 436 O SER A 29 2.940 -5.733 6.891 1.00 1.00 O ATOM 437 CB SER A 29 5.281 -7.706 6.024 1.00 1.00 C ATOM 438 OG SER A 29 4.748 -6.871 5.006 1.00 1.00 O ATOM 0 H SER A 29 3.072 -8.805 6.287 1.00 1.00 H new ATOM 0 HA SER A 29 5.033 -7.832 8.161 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.315 -7.431 6.232 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.288 -8.744 5.692 1.00 1.00 H new ATOM 0 HG SER A 29 3.938 -7.281 4.638 1.00 1.00 H new ATOM 444 N GLU A 30 4.754 -5.324 8.160 1.00 1.00 N ATOM 445 CA GLU A 30 4.425 -3.912 8.367 1.00 1.00 C ATOM 446 C GLU A 30 5.277 -3.032 7.461 1.00 1.00 C ATOM 447 O GLU A 30 6.455 -3.300 7.254 1.00 1.00 O ATOM 448 CB GLU A 30 4.662 -3.530 9.827 1.00 1.00 C ATOM 449 CG GLU A 30 3.627 -4.228 10.710 1.00 1.00 C ATOM 450 CD GLU A 30 3.918 -3.944 12.179 1.00 1.00 C ATOM 451 OE1 GLU A 30 4.867 -3.225 12.445 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.189 -4.450 13.016 1.00 1.00 O ATOM 0 H GLU A 30 5.615 -5.628 8.614 1.00 1.00 H new ATOM 0 HA GLU A 30 3.374 -3.759 8.121 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.668 -3.818 10.131 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.589 -2.449 9.948 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.626 -3.880 10.455 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.647 -5.303 10.528 1.00 1.00 H new ATOM 459 N PHE A 31 4.672 -1.981 6.927 1.00 1.00 N ATOM 460 CA PHE A 31 5.387 -1.072 6.039 1.00 1.00 C ATOM 461 C PHE A 31 6.701 -0.629 6.673 1.00 1.00 C ATOM 462 O PHE A 31 7.718 -0.510 5.990 1.00 1.00 O ATOM 463 CB PHE A 31 4.521 0.158 5.748 1.00 1.00 C ATOM 464 CG PHE A 31 3.411 -0.217 4.793 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.684 -0.356 3.425 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.107 -0.420 5.269 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.657 -0.701 2.543 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.084 -0.767 4.380 1.00 1.00 C ATOM 469 CZ PHE A 31 1.359 -0.904 3.017 1.00 1.00 C ATOM 0 H PHE A 31 3.695 -1.736 7.090 1.00 1.00 H new ATOM 0 HA PHE A 31 5.603 -1.596 5.108 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.100 0.547 6.675 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.132 0.952 5.318 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.686 -0.197 3.054 1.00 1.00 H new ATOM 0 HD2 PHE A 31 1.893 -0.308 6.322 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.868 -0.811 1.490 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.081 -0.929 4.747 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.568 -1.167 2.330 1.00 1.00 H new ATOM 479 N SER A 32 6.673 -0.383 7.976 1.00 1.00 N ATOM 480 CA SER A 32 7.871 0.050 8.685 1.00 1.00 C ATOM 481 C SER A 32 8.953 -1.025 8.621 1.00 1.00 C ATOM 482 O SER A 32 10.137 -0.721 8.472 1.00 1.00 O ATOM 483 CB SER A 32 7.533 0.347 10.145 1.00 1.00 C ATOM 484 OG SER A 32 7.046 -0.836 10.765 1.00 1.00 O ATOM 0 H SER A 32 5.842 -0.475 8.560 1.00 1.00 H new ATOM 0 HA SER A 32 8.246 0.955 8.206 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.418 0.708 10.669 1.00 1.00 H new ATOM 0 HB3 SER A 32 6.784 1.137 10.203 1.00 1.00 H new ATOM 0 HG SER A 32 6.830 -0.649 11.702 1.00 1.00 H new ATOM 490 N LYS A 33 8.541 -2.280 8.738 1.00 1.00 N ATOM 491 CA LYS A 33 9.483 -3.394 8.695 1.00 1.00 C ATOM 492 C LYS A 33 10.186 -3.456 7.347 1.00 1.00 C ATOM 493 O LYS A 33 11.374 -3.765 7.270 1.00 1.00 O ATOM 494 CB LYS A 33 8.741 -4.709 8.953 1.00 1.00 C ATOM 495 CG LYS A 33 8.219 -4.746 10.401 1.00 1.00 C ATOM 496 CD LYS A 33 9.321 -5.241 11.345 1.00 1.00 C ATOM 497 CE LYS A 33 8.777 -5.315 12.766 1.00 1.00 C ATOM 498 NZ LYS A 33 9.832 -5.860 13.665 1.00 1.00 N ATOM 0 H LYS A 33 7.566 -2.553 8.863 1.00 1.00 H new ATOM 0 HA LYS A 33 10.235 -3.241 9.469 1.00 1.00 H new ATOM 0 HB2 LYS A 33 7.909 -4.809 8.256 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.408 -5.553 8.777 1.00 1.00 H new ATOM 0 HG2 LYS A 33 7.890 -3.752 10.703 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.351 -5.402 10.466 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.673 -6.222 11.027 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.177 -4.568 11.307 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.471 -4.325 13.103 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.892 -5.950 12.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 9.466 -5.913 14.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.103 -6.812 13.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 10.664 -5.237 13.642 1.00 1.00 H new ATOM 512 N LEU A 34 9.442 -3.167 6.289 1.00 1.00 N ATOM 513 CA LEU A 34 10.002 -3.199 4.945 1.00 1.00 C ATOM 514 C LEU A 34 11.057 -2.116 4.782 1.00 1.00 C ATOM 515 O LEU A 34 11.900 -2.191 3.893 1.00 1.00 O ATOM 516 CB LEU A 34 8.892 -2.998 3.912 1.00 1.00 C ATOM 517 CG LEU A 34 7.744 -3.971 4.197 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.678 -3.839 3.109 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.273 -5.412 4.233 1.00 1.00 C ATOM 0 H LEU A 34 8.456 -2.909 6.334 1.00 1.00 H new ATOM 0 HA LEU A 34 10.470 -4.171 4.787 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.529 -1.971 3.948 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.282 -3.163 2.908 1.00 1.00 H new ATOM 0 HG LEU A 34 7.305 -3.731 5.165 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.862 -4.532 3.313 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.294 -2.819 3.098 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.117 -4.072 2.139 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.450 -6.097 4.436 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.721 -5.659 3.271 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.024 -5.504 5.018 1.00 1.00 H new ATOM 531 N GLY A 35 11.008 -1.110 5.651 1.00 1.00 N ATOM 532 CA GLY A 35 11.972 -0.008 5.601 1.00 1.00 C ATOM 533 C GLY A 35 11.324 1.259 5.061 1.00 1.00 C ATOM 534 O GLY A 35 11.979 2.291 4.930 1.00 1.00 O ATOM 0 H GLY A 35 10.316 -1.032 6.396 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.368 0.179 6.599 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.816 -0.287 4.970 1.00 1.00 H new ATOM 538 N ALA A 36 10.034 1.176 4.746 1.00 1.00 N ATOM 539 CA ALA A 36 9.317 2.328 4.222 1.00 1.00 C ATOM 540 C ALA A 36 9.508 3.535 5.132 1.00 1.00 C ATOM 541 O ALA A 36 8.957 3.587 6.230 1.00 1.00 O ATOM 542 CB ALA A 36 7.825 2.001 4.109 1.00 1.00 C ATOM 0 H ALA A 36 9.471 0.331 4.844 1.00 1.00 H new ATOM 0 HA ALA A 36 9.714 2.566 3.235 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.292 2.867 3.716 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.688 1.154 3.436 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.432 1.749 5.094 1.00 1.00 H new ATOM 548 N ASP A 37 10.283 4.506 4.662 1.00 1.00 N ATOM 549 CA ASP A 37 10.538 5.722 5.433 1.00 1.00 C ATOM 550 C ASP A 37 9.544 6.812 5.053 1.00 1.00 C ATOM 551 O ASP A 37 8.635 6.585 4.256 1.00 1.00 O ATOM 552 CB ASP A 37 11.961 6.214 5.175 1.00 1.00 C ATOM 553 CG ASP A 37 12.965 5.272 5.835 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.564 4.533 6.719 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.119 5.302 5.442 1.00 1.00 O ATOM 0 H ASP A 37 10.746 4.477 3.753 1.00 1.00 H new ATOM 0 HA ASP A 37 10.421 5.491 6.492 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.148 6.265 4.102 1.00 1.00 H new ATOM 0 HB3 ASP A 37 12.083 7.223 5.569 1.00 1.00 H new ATOM 560 N SER A 38 9.723 7.994 5.631 1.00 1.00 N ATOM 561 CA SER A 38 8.832 9.114 5.347 1.00 1.00 C ATOM 562 C SER A 38 8.869 9.461 3.864 1.00 1.00 C ATOM 563 O SER A 38 7.829 9.664 3.243 1.00 1.00 O ATOM 564 CB SER A 38 9.250 10.331 6.170 1.00 1.00 C ATOM 0 H SER A 38 10.470 8.202 6.294 1.00 1.00 H new ATOM 0 HA SER A 38 7.815 8.827 5.615 1.00 1.00 H new ATOM 569 N LEU A 39 10.073 9.524 3.307 1.00 1.00 N ATOM 570 CA LEU A 39 10.242 9.843 1.893 1.00 1.00 C ATOM 571 C LEU A 39 9.664 8.736 1.022 1.00 1.00 C ATOM 572 O LEU A 39 9.093 8.997 -0.036 1.00 1.00 O ATOM 573 CB LEU A 39 11.726 10.033 1.573 1.00 1.00 C ATOM 574 CG LEU A 39 12.256 11.270 2.310 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.780 11.326 2.177 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.635 12.557 1.724 1.00 1.00 C ATOM 0 H LEU A 39 10.945 9.359 3.811 1.00 1.00 H new ATOM 0 HA LEU A 39 9.707 10.769 1.681 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.289 9.149 1.873 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.865 10.150 0.498 1.00 1.00 H new ATOM 0 HG LEU A 39 11.980 11.199 3.362 1.00 1.00 H new ATOM 0 HD11 LEU A 39 14.159 12.204 2.700 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.217 10.428 2.613 1.00 1.00 H new ATOM 0 HD13 LEU A 39 14.051 11.386 1.123 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.022 13.424 2.259 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.893 12.637 0.668 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.551 12.519 1.831 1.00 1.00 H new ATOM 588 N ASP A 40 9.837 7.500 1.464 1.00 1.00 N ATOM 589 CA ASP A 40 9.331 6.358 0.718 1.00 1.00 C ATOM 590 C ASP A 40 7.836 6.184 0.939 1.00 1.00 C ATOM 591 O ASP A 40 7.084 6.003 -0.014 1.00 1.00 O ATOM 592 CB ASP A 40 10.060 5.086 1.152 1.00 1.00 C ATOM 593 CG ASP A 40 11.492 5.104 0.631 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.772 5.899 -0.251 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.291 4.324 1.124 1.00 1.00 O ATOM 0 H ASP A 40 10.321 7.263 2.330 1.00 1.00 H new ATOM 0 HA ASP A 40 9.509 6.540 -0.342 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.061 5.010 2.239 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.537 4.209 0.771 1.00 1.00 H new ATOM 600 N THR A 41 7.415 6.234 2.199 1.00 1.00 N ATOM 601 CA THR A 41 6.007 6.047 2.537 1.00 1.00 C ATOM 602 C THR A 41 5.111 6.863 1.615 1.00 1.00 C ATOM 603 O THR A 41 4.110 6.359 1.103 1.00 1.00 O ATOM 604 CB THR A 41 5.761 6.478 3.989 1.00 1.00 C ATOM 605 OG1 THR A 41 6.484 5.629 4.868 1.00 1.00 O ATOM 606 CG2 THR A 41 4.267 6.391 4.306 1.00 1.00 C ATOM 0 H THR A 41 8.025 6.401 3.000 1.00 1.00 H new ATOM 0 HA THR A 41 5.766 4.991 2.415 1.00 1.00 H new ATOM 0 HB THR A 41 6.098 7.506 4.121 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.444 5.714 4.689 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.096 6.698 5.338 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.714 7.049 3.635 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.926 5.365 4.171 1.00 1.00 H new ATOM 614 N VAL A 42 5.478 8.109 1.398 1.00 1.00 N ATOM 615 CA VAL A 42 4.702 8.985 0.526 1.00 1.00 C ATOM 616 C VAL A 42 4.725 8.465 -0.906 1.00 1.00 C ATOM 617 O VAL A 42 3.761 8.633 -1.654 1.00 1.00 O ATOM 618 CB VAL A 42 5.257 10.412 0.580 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.742 10.394 0.236 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.513 11.288 -0.430 1.00 1.00 C ATOM 0 H VAL A 42 6.305 8.543 1.809 1.00 1.00 H new ATOM 0 HA VAL A 42 3.669 8.996 0.875 1.00 1.00 H new ATOM 0 HB VAL A 42 5.120 10.816 1.583 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.137 11.409 0.274 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.274 9.770 0.954 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.878 9.989 -0.767 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.908 12.303 -0.392 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.650 10.883 -1.433 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.451 11.302 -0.186 1.00 1.00 H new ATOM 630 N GLU A 43 5.832 7.845 -1.287 1.00 1.00 N ATOM 631 CA GLU A 43 5.965 7.314 -2.630 1.00 1.00 C ATOM 632 C GLU A 43 5.087 6.079 -2.805 1.00 1.00 C ATOM 633 O GLU A 43 4.549 5.835 -3.885 1.00 1.00 O ATOM 634 CB GLU A 43 7.449 6.968 -2.911 1.00 1.00 C ATOM 635 CG GLU A 43 7.863 7.506 -4.283 1.00 1.00 C ATOM 636 CD GLU A 43 8.061 9.014 -4.208 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.979 9.550 -3.114 1.00 1.00 O ATOM 638 OE2 GLU A 43 8.286 9.616 -5.245 1.00 1.00 O ATOM 0 H GLU A 43 6.645 7.699 -0.688 1.00 1.00 H new ATOM 0 HA GLU A 43 5.636 8.069 -3.344 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.084 7.398 -2.136 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.592 5.888 -2.877 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.785 7.025 -4.609 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.099 7.267 -5.023 1.00 1.00 H new ATOM 645 N ILE A 44 4.966 5.296 -1.742 1.00 1.00 N ATOM 646 CA ILE A 44 4.169 4.080 -1.796 1.00 1.00 C ATOM 647 C ILE A 44 2.718 4.399 -2.106 1.00 1.00 C ATOM 648 O ILE A 44 2.126 3.811 -3.007 1.00 1.00 O ATOM 649 CB ILE A 44 4.249 3.345 -0.454 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.712 3.038 -0.111 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.467 2.043 -0.526 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.373 2.220 -1.225 1.00 1.00 C ATOM 0 H ILE A 44 5.405 5.479 -0.840 1.00 1.00 H new ATOM 0 HA ILE A 44 4.567 3.447 -2.589 1.00 1.00 H new ATOM 0 HB ILE A 44 3.821 3.983 0.319 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.259 3.969 0.035 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.762 2.488 0.829 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.530 1.528 0.432 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.423 2.258 -0.755 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.887 1.409 -1.307 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.410 2.015 -0.959 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.838 1.279 -1.352 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.342 2.784 -2.157 1.00 1.00 H new ATOM 664 N VAL A 45 2.153 5.332 -1.360 1.00 1.00 N ATOM 665 CA VAL A 45 0.767 5.722 -1.570 1.00 1.00 C ATOM 666 C VAL A 45 0.595 6.415 -2.918 1.00 1.00 C ATOM 667 O VAL A 45 -0.373 6.164 -3.634 1.00 1.00 O ATOM 668 CB VAL A 45 0.313 6.657 -0.448 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.271 7.846 -0.351 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.103 7.167 -0.745 1.00 1.00 C ATOM 0 H VAL A 45 2.627 5.832 -0.608 1.00 1.00 H new ATOM 0 HA VAL A 45 0.154 4.821 -1.563 1.00 1.00 H new ATOM 0 HB VAL A 45 0.313 6.112 0.496 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.946 8.511 0.449 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.277 7.486 -0.137 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.273 8.389 -1.296 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.425 7.833 0.055 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.104 7.709 -1.691 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.788 6.322 -0.811 1.00 1.00 H new ATOM 680 N MET A 46 1.529 7.291 -3.253 1.00 1.00 N ATOM 681 CA MET A 46 1.454 8.025 -4.507 1.00 1.00 C ATOM 682 C MET A 46 1.364 7.072 -5.688 1.00 1.00 C ATOM 683 O MET A 46 0.524 7.245 -6.571 1.00 1.00 O ATOM 684 CB MET A 46 2.682 8.922 -4.657 1.00 1.00 C ATOM 685 CG MET A 46 2.585 9.712 -5.966 1.00 1.00 C ATOM 686 SD MET A 46 3.738 11.106 -5.926 1.00 1.00 S ATOM 687 CE MET A 46 5.243 10.155 -5.621 1.00 1.00 C ATOM 0 H MET A 46 2.343 7.510 -2.679 1.00 1.00 H new ATOM 0 HA MET A 46 0.554 8.640 -4.492 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.750 9.607 -3.812 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.589 8.318 -4.652 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.814 9.063 -6.811 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.567 10.074 -6.109 1.00 1.00 H new ATOM 0 HE1 MET A 46 6.097 10.678 -6.050 1.00 1.00 H new ATOM 0 HE2 MET A 46 5.390 10.041 -4.547 1.00 1.00 H new ATOM 0 HE3 MET A 46 5.151 9.171 -6.081 1.00 1.00 H new ATOM 697 N ASN A 47 2.225 6.066 -5.700 1.00 1.00 N ATOM 698 CA ASN A 47 2.221 5.091 -6.783 1.00 1.00 C ATOM 699 C ASN A 47 0.930 4.276 -6.774 1.00 1.00 C ATOM 700 O ASN A 47 0.337 4.025 -7.823 1.00 1.00 O ATOM 701 CB ASN A 47 3.429 4.155 -6.634 1.00 1.00 C ATOM 702 CG ASN A 47 4.687 4.838 -7.160 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.639 4.165 -7.554 1.00 1.00 O ATOM 704 ND2 ASN A 47 4.750 6.141 -7.183 1.00 1.00 N ATOM 0 H ASN A 47 2.929 5.903 -4.980 1.00 1.00 H new ATOM 0 HA ASN A 47 2.284 5.623 -7.732 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.563 3.885 -5.587 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.252 3.229 -7.182 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.590 6.605 -7.528 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.959 6.696 -6.856 1.00 1.00 H new ATOM 711 N LEU A 48 0.503 3.862 -5.587 1.00 1.00 N ATOM 712 CA LEU A 48 -0.713 3.073 -5.463 1.00 1.00 C ATOM 713 C LEU A 48 -1.922 3.882 -5.902 1.00 1.00 C ATOM 714 O LEU A 48 -2.791 3.381 -6.611 1.00 1.00 O ATOM 715 CB LEU A 48 -0.885 2.614 -4.009 1.00 1.00 C ATOM 716 CG LEU A 48 0.206 1.599 -3.649 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.289 1.460 -2.125 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.126 0.230 -4.254 1.00 1.00 C ATOM 0 H LEU A 48 0.977 4.058 -4.705 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.632 2.199 -6.109 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.831 3.472 -3.339 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.869 2.166 -3.874 1.00 1.00 H new ATOM 0 HG LEU A 48 1.158 1.949 -4.047 1.00 1.00 H new ATOM 0 HD11 LEU A 48 1.064 0.739 -1.867 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.532 2.427 -1.684 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.670 1.116 -1.738 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.656 -0.483 -3.992 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.081 -0.119 -3.862 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.189 0.317 -5.339 1.00 1.00 H new ATOM 730 N GLU A 49 -1.966 5.135 -5.489 1.00 1.00 N ATOM 731 CA GLU A 49 -3.077 6.002 -5.857 1.00 1.00 C ATOM 732 C GLU A 49 -3.192 6.110 -7.372 1.00 1.00 C ATOM 733 O GLU A 49 -4.292 6.149 -7.922 1.00 1.00 O ATOM 734 CB GLU A 49 -2.877 7.392 -5.246 1.00 1.00 C ATOM 735 CG GLU A 49 -3.208 7.358 -3.751 1.00 1.00 C ATOM 736 CD GLU A 49 -2.926 8.716 -3.124 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.441 9.584 -3.830 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.209 8.870 -1.947 1.00 1.00 O ATOM 0 H GLU A 49 -1.255 5.575 -4.905 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.000 5.570 -5.470 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.847 7.718 -5.392 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.515 8.116 -5.752 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.256 7.093 -3.608 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.614 6.589 -3.256 1.00 1.00 H new ATOM 745 N GLU A 50 -2.050 6.158 -8.035 1.00 1.00 N ATOM 746 CA GLU A 50 -2.022 6.257 -9.490 1.00 1.00 C ATOM 747 C GLU A 50 -2.407 4.928 -10.131 1.00 1.00 C ATOM 748 O GLU A 50 -3.069 4.899 -11.169 1.00 1.00 O ATOM 749 CB GLU A 50 -0.624 6.667 -9.960 1.00 1.00 C ATOM 750 CG GLU A 50 -0.332 8.101 -9.516 1.00 1.00 C ATOM 751 CD GLU A 50 -1.235 9.078 -10.263 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.720 8.716 -11.322 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.427 10.175 -9.765 1.00 1.00 O ATOM 0 H GLU A 50 -1.131 6.130 -7.594 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.745 7.014 -9.794 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.123 5.989 -9.547 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.558 6.591 -11.045 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.491 8.196 -8.442 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.714 8.343 -9.706 1.00 1.00 H new ATOM 760 N GLU A 51 -1.977 3.829 -9.515 1.00 1.00 N ATOM 761 CA GLU A 51 -2.274 2.510 -10.046 1.00 1.00 C ATOM 762 C GLU A 51 -3.759 2.199 -9.939 1.00 1.00 C ATOM 763 O GLU A 51 -4.361 1.673 -10.873 1.00 1.00 O ATOM 764 CB GLU A 51 -1.473 1.451 -9.284 1.00 1.00 C ATOM 765 CG GLU A 51 -1.473 0.133 -10.064 1.00 1.00 C ATOM 766 CD GLU A 51 -2.851 -0.514 -9.991 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.444 -0.479 -8.925 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.294 -1.036 -11.001 1.00 1.00 O ATOM 0 H GLU A 51 -1.427 3.829 -8.656 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.993 2.497 -11.099 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.449 1.795 -9.135 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.905 1.298 -8.295 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.202 0.316 -11.104 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.722 -0.542 -9.653 1.00 1.00 H new ATOM 775 N PHE A 52 -4.345 2.519 -8.790 1.00 1.00 N ATOM 776 CA PHE A 52 -5.766 2.261 -8.567 1.00 1.00 C ATOM 777 C PHE A 52 -6.595 3.485 -8.931 1.00 1.00 C ATOM 778 O PHE A 52 -7.824 3.449 -8.889 1.00 1.00 O ATOM 779 CB PHE A 52 -5.999 1.895 -7.099 1.00 1.00 C ATOM 780 CG PHE A 52 -5.454 0.512 -6.828 1.00 1.00 C ATOM 781 CD1 PHE A 52 -4.124 0.351 -6.423 1.00 1.00 C ATOM 782 CD2 PHE A 52 -6.277 -0.607 -6.983 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.616 -0.923 -6.172 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.769 -1.887 -6.731 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.438 -2.045 -6.324 1.00 1.00 C ATOM 0 H PHE A 52 -3.864 2.954 -8.003 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.075 1.431 -9.202 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.511 2.623 -6.451 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.064 1.928 -6.870 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -3.489 1.217 -6.304 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -7.303 -0.484 -7.297 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -2.589 -1.044 -5.861 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -6.403 -2.753 -6.850 1.00 1.00 H new ATOM 0 HZ PHE A 52 -4.047 -3.032 -6.128 1.00 1.00 H new ATOM 795 N GLY A 53 -5.916 4.565 -9.302 1.00 1.00 N ATOM 796 CA GLY A 53 -6.604 5.791 -9.686 1.00 1.00 C ATOM 797 C GLY A 53 -7.547 6.257 -8.586 1.00 1.00 C ATOM 798 O GLY A 53 -8.721 6.521 -8.837 1.00 1.00 O ATOM 0 H GLY A 53 -4.898 4.616 -9.345 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.873 6.571 -9.897 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.166 5.624 -10.605 1.00 1.00 H new ATOM 802 N ILE A 54 -7.025 6.357 -7.366 1.00 1.00 N ATOM 803 CA ILE A 54 -7.827 6.798 -6.220 1.00 1.00 C ATOM 804 C ILE A 54 -7.165 7.983 -5.532 1.00 1.00 C ATOM 805 O ILE A 54 -6.239 8.587 -6.070 1.00 1.00 O ATOM 806 CB ILE A 54 -7.993 5.645 -5.227 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.616 5.126 -4.815 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.792 4.514 -5.882 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.760 4.114 -3.678 1.00 1.00 C ATOM 0 H ILE A 54 -6.054 6.140 -7.142 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.809 7.107 -6.579 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.526 6.000 -4.345 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.123 4.660 -5.668 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.985 5.956 -4.497 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.909 3.694 -5.174 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.775 4.885 -6.174 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.261 4.158 -6.765 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.775 3.748 -3.389 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.234 4.594 -2.822 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.374 3.277 -4.011 1.00 1.00 H new ATOM 821 N ASN A 55 -7.651 8.313 -4.341 1.00 1.00 N ATOM 822 CA ASN A 55 -7.105 9.435 -3.583 1.00 1.00 C ATOM 823 C ASN A 55 -7.215 9.172 -2.088 1.00 1.00 C ATOM 824 O ASN A 55 -8.315 9.074 -1.546 1.00 1.00 O ATOM 825 CB ASN A 55 -7.861 10.717 -3.933 1.00 1.00 C ATOM 826 CG ASN A 55 -9.365 10.457 -3.920 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.994 10.393 -4.975 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.981 10.300 -2.780 1.00 1.00 N ATOM 0 H ASN A 55 -8.418 7.823 -3.880 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.053 9.550 -3.845 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.613 11.502 -3.218 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.554 11.073 -4.916 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.986 10.124 -2.763 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.458 10.353 -1.906 1.00 1.00 H new ATOM 835 N VAL A 56 -6.068 9.059 -1.423 1.00 1.00 N ATOM 836 CA VAL A 56 -6.044 8.812 0.019 1.00 1.00 C ATOM 837 C VAL A 56 -5.062 9.758 0.702 1.00 1.00 C ATOM 838 O VAL A 56 -3.930 9.924 0.248 1.00 1.00 O ATOM 839 CB VAL A 56 -5.641 7.364 0.294 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.463 7.158 1.800 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.733 6.429 -0.228 1.00 1.00 C ATOM 0 H VAL A 56 -5.147 9.134 -1.855 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.042 8.990 0.420 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.701 7.144 -0.211 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.176 6.125 1.994 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -4.685 7.827 2.169 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.401 7.376 2.310 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.450 5.395 -0.034 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.673 6.649 0.278 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.856 6.576 -1.301 1.00 1.00 H new ATOM 851 N ASP A 57 -5.499 10.367 1.799 1.00 1.00 N ATOM 852 CA ASP A 57 -4.648 11.288 2.550 1.00 1.00 C ATOM 853 C ASP A 57 -3.855 10.533 3.611 1.00 1.00 C ATOM 854 O ASP A 57 -4.294 9.497 4.110 1.00 1.00 O ATOM 855 CB ASP A 57 -5.506 12.362 3.216 1.00 1.00 C ATOM 856 CG ASP A 57 -6.050 13.322 2.162 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.516 13.330 1.065 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.989 14.037 2.470 1.00 1.00 O ATOM 0 H ASP A 57 -6.433 10.242 2.188 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.950 11.760 1.859 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -6.330 11.897 3.757 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.913 12.910 3.948 1.00 1.00 H new ATOM 863 N GLU A 58 -2.686 11.062 3.953 1.00 1.00 N ATOM 864 CA GLU A 58 -1.838 10.433 4.960 1.00 1.00 C ATOM 865 C GLU A 58 -2.561 10.357 6.299 1.00 1.00 C ATOM 866 O GLU A 58 -2.408 9.388 7.043 1.00 1.00 O ATOM 867 CB GLU A 58 -0.543 11.231 5.122 1.00 1.00 C ATOM 868 CG GLU A 58 0.335 11.053 3.881 1.00 1.00 C ATOM 869 CD GLU A 58 0.846 9.618 3.807 1.00 1.00 C ATOM 870 OE1 GLU A 58 0.869 8.965 4.838 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.203 9.192 2.724 1.00 1.00 O ATOM 0 H GLU A 58 -2.305 11.919 3.551 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.604 9.421 4.630 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.772 12.287 5.268 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.007 10.895 6.009 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.236 11.291 2.984 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.176 11.746 3.917 1.00 1.00 H new ATOM 878 N ASP A 59 -3.346 11.383 6.600 1.00 1.00 N ATOM 879 CA ASP A 59 -4.087 11.423 7.854 1.00 1.00 C ATOM 880 C ASP A 59 -5.078 10.266 7.924 1.00 1.00 C ATOM 881 O ASP A 59 -5.303 9.695 8.992 1.00 1.00 O ATOM 882 CB ASP A 59 -4.841 12.748 7.974 1.00 1.00 C ATOM 883 CG ASP A 59 -3.857 13.886 8.221 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.688 13.600 8.418 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.288 15.027 8.211 1.00 1.00 O ATOM 0 H ASP A 59 -3.486 12.194 5.997 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.378 11.333 8.677 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.408 12.937 7.062 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.560 12.694 8.791 1.00 1.00 H new ATOM 890 N LYS A 60 -5.672 9.926 6.783 1.00 1.00 N ATOM 891 CA LYS A 60 -6.639 8.835 6.730 1.00 1.00 C ATOM 892 C LYS A 60 -5.931 7.497 6.565 1.00 1.00 C ATOM 893 O LYS A 60 -6.527 6.439 6.770 1.00 1.00 O ATOM 894 CB LYS A 60 -7.598 9.048 5.562 1.00 1.00 C ATOM 895 CG LYS A 60 -8.448 10.293 5.825 1.00 1.00 C ATOM 896 CD LYS A 60 -9.417 10.502 4.663 1.00 1.00 C ATOM 897 CE LYS A 60 -10.204 11.797 4.877 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.973 11.706 6.151 1.00 1.00 N ATOM 0 H LYS A 60 -5.502 10.387 5.889 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.197 8.825 7.666 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.038 9.165 4.634 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.239 8.175 5.439 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.001 10.179 6.758 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.807 11.167 5.940 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.868 10.549 3.723 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.101 9.657 4.590 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -9.523 12.648 4.911 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.883 11.965 4.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.726 12.424 6.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.396 10.760 6.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -10.334 11.871 6.955 1.00 1.00 H new ATOM 912 N ALA A 61 -4.655 7.548 6.191 1.00 1.00 N ATOM 913 CA ALA A 61 -3.871 6.330 5.995 1.00 1.00 C ATOM 914 C ALA A 61 -3.165 5.927 7.289 1.00 1.00 C ATOM 915 O ALA A 61 -2.296 5.056 7.291 1.00 1.00 O ATOM 916 CB ALA A 61 -2.834 6.543 4.896 1.00 1.00 C ATOM 0 H ALA A 61 -4.144 8.414 6.018 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.552 5.532 5.702 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.256 5.629 4.759 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.339 6.796 3.964 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.165 7.356 5.179 1.00 1.00 H new ATOM 922 N GLN A 62 -3.537 6.578 8.383 1.00 1.00 N ATOM 923 CA GLN A 62 -2.932 6.291 9.682 1.00 1.00 C ATOM 924 C GLN A 62 -3.335 4.906 10.175 1.00 1.00 C ATOM 925 O GLN A 62 -2.529 4.187 10.767 1.00 1.00 O ATOM 926 CB GLN A 62 -3.362 7.343 10.704 1.00 1.00 C ATOM 927 CG GLN A 62 -2.815 8.713 10.293 1.00 1.00 C ATOM 928 CD GLN A 62 -1.295 8.725 10.404 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.742 8.297 11.418 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.581 9.195 9.418 1.00 1.00 N ATOM 0 H GLN A 62 -4.251 7.306 8.400 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.849 6.318 9.565 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.450 7.379 10.768 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.993 7.075 11.694 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.114 8.941 9.270 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.240 9.489 10.930 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.041 9.549 8.579 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.437 9.208 9.486 1.00 1.00 H new ATOM 939 N ASP A 63 -4.588 4.540 9.930 1.00 1.00 N ATOM 940 CA ASP A 63 -5.093 3.241 10.357 1.00 1.00 C ATOM 941 C ASP A 63 -4.366 2.116 9.630 1.00 1.00 C ATOM 942 O ASP A 63 -4.563 0.940 9.932 1.00 1.00 O ATOM 943 CB ASP A 63 -6.596 3.147 10.083 1.00 1.00 C ATOM 944 CG ASP A 63 -7.363 4.027 11.066 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.772 4.443 12.049 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.533 4.272 10.820 1.00 1.00 O ATOM 0 H ASP A 63 -5.269 5.121 9.441 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.914 3.138 11.427 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.808 3.460 9.061 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.926 2.112 10.174 1.00 1.00 H new ATOM 951 N ILE A 64 -3.521 2.486 8.672 1.00 1.00 N ATOM 952 CA ILE A 64 -2.764 1.498 7.912 1.00 1.00 C ATOM 953 C ILE A 64 -1.577 1.002 8.716 1.00 1.00 C ATOM 954 O ILE A 64 -0.768 1.794 9.194 1.00 1.00 O ATOM 955 CB ILE A 64 -2.276 2.109 6.599 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.464 2.729 5.864 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.635 1.034 5.730 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.558 1.678 5.611 1.00 1.00 C ATOM 0 H ILE A 64 -3.344 3.455 8.405 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.419 0.654 7.696 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.533 2.878 6.810 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.872 3.551 6.452 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.131 3.150 4.915 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.290 1.479 4.796 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.788 0.596 6.258 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.368 0.257 5.513 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.394 2.142 5.087 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.152 0.869 5.003 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.905 1.277 6.563 1.00 1.00 H new ATOM 970 N SER A 65 -1.480 -0.320 8.860 1.00 1.00 N ATOM 971 CA SER A 65 -0.382 -0.930 9.611 1.00 1.00 C ATOM 972 C SER A 65 0.366 -1.935 8.750 1.00 1.00 C ATOM 973 O SER A 65 1.594 -1.969 8.751 1.00 1.00 O ATOM 974 CB SER A 65 -0.932 -1.629 10.850 1.00 1.00 C ATOM 975 OG SER A 65 -1.472 -2.890 10.482 1.00 1.00 O ATOM 0 H SER A 65 -2.145 -0.987 8.468 1.00 1.00 H new ATOM 0 HA SER A 65 0.311 -0.143 9.910 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.140 -1.762 11.587 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.702 -1.014 11.316 1.00 1.00 H new ATOM 0 HG SER A 65 -1.824 -3.340 11.278 1.00 1.00 H new ATOM 981 N THR A 66 -0.383 -2.754 8.016 1.00 1.00 N ATOM 982 CA THR A 66 0.216 -3.774 7.148 1.00 1.00 C ATOM 983 C THR A 66 -0.320 -3.653 5.728 1.00 1.00 C ATOM 984 O THR A 66 -1.159 -2.801 5.440 1.00 1.00 O ATOM 985 CB THR A 66 -0.091 -5.169 7.696 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.492 -5.394 7.659 1.00 1.00 O ATOM 987 CG2 THR A 66 0.411 -5.281 9.138 1.00 1.00 C ATOM 0 H THR A 66 -1.403 -2.735 8.002 1.00 1.00 H new ATOM 0 HA THR A 66 1.295 -3.620 7.129 1.00 1.00 H new ATOM 0 HB THR A 66 0.413 -5.916 7.083 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.689 -6.288 8.008 1.00 1.00 H new ATOM 0 HG21 THR A 66 0.190 -6.276 9.524 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.488 -5.113 9.163 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.087 -4.534 9.756 1.00 1.00 H new ATOM 995 N ILE A 67 0.183 -4.502 4.841 1.00 1.00 N ATOM 996 CA ILE A 67 -0.243 -4.471 3.447 1.00 1.00 C ATOM 997 C ILE A 67 -1.738 -4.716 3.347 1.00 1.00 C ATOM 998 O ILE A 67 -2.437 -4.022 2.612 1.00 1.00 O ATOM 999 CB ILE A 67 0.504 -5.542 2.650 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.018 -5.368 2.832 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.143 -5.443 1.174 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.445 -3.947 2.435 1.00 1.00 C ATOM 0 H ILE A 67 0.880 -5.214 5.058 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.016 -3.488 3.036 1.00 1.00 H new ATOM 0 HB ILE A 67 0.212 -6.525 3.019 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.290 -5.560 3.870 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.550 -6.098 2.222 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.680 -6.210 0.616 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.930 -5.590 1.051 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.420 -4.459 0.797 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.521 -3.840 2.570 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.191 -3.769 1.390 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.927 -3.222 3.063 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.229 -5.698 4.085 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.651 -6.007 4.058 1.00 1.00 C ATOM 1016 C GLN A 68 -4.477 -4.765 4.386 1.00 1.00 C ATOM 1017 O GLN A 68 -5.500 -4.504 3.750 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.954 -7.128 5.082 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.105 -8.470 4.365 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.459 -8.520 3.663 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.508 -8.505 2.363 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.500 -8.556 4.320 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.673 -6.289 4.703 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.920 -6.344 3.057 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.150 -7.188 5.816 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.868 -6.894 5.629 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.302 -8.600 3.640 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.023 -9.288 5.080 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.460 -8.568 5.339 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.402 -8.574 3.845 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.035 -4.012 5.383 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.755 -2.815 5.787 1.00 1.00 C ATOM 1033 C GLN A 69 -4.907 -1.864 4.606 1.00 1.00 C ATOM 1034 O GLN A 69 -5.994 -1.345 4.350 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.999 -2.110 6.913 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.840 -3.061 8.099 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.204 -3.401 8.681 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.996 -2.506 8.979 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.527 -4.647 8.863 1.00 1.00 N ATOM 0 H GLN A 69 -3.191 -4.206 5.921 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.745 -3.106 6.139 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.020 -1.786 6.560 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.539 -1.215 7.222 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.335 -3.972 7.779 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.214 -2.601 8.863 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.869 -5.386 8.615 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.439 -4.886 9.254 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.812 -1.645 3.885 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.839 -0.761 2.727 1.00 1.00 C ATOM 1050 C ALA A 70 -4.710 -1.352 1.622 1.00 1.00 C ATOM 1051 O ALA A 70 -5.452 -0.635 0.953 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.414 -0.545 2.202 1.00 1.00 C ATOM 0 H ALA A 70 -2.903 -2.064 4.080 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.262 0.196 3.032 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.442 0.117 1.336 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.803 -0.094 2.984 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.984 -1.504 1.912 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.609 -2.663 1.433 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.387 -3.336 0.400 1.00 1.00 C ATOM 1060 C ALA A 71 -6.880 -3.214 0.682 1.00 1.00 C ATOM 1061 O ALA A 71 -7.678 -3.023 -0.236 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.000 -4.814 0.334 1.00 1.00 C ATOM 0 H ALA A 71 -4.002 -3.276 1.976 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.170 -2.859 -0.556 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.586 -5.309 -0.440 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.939 -4.902 0.099 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.198 -5.285 1.297 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.248 -3.324 1.952 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.650 -3.226 2.345 1.00 1.00 C ATOM 1070 C ASP A 72 -9.201 -1.839 2.023 1.00 1.00 C ATOM 1071 O ASP A 72 -10.339 -1.695 1.581 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.791 -3.497 3.843 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.262 -3.458 4.243 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.079 -3.150 3.390 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.551 -3.743 5.393 1.00 1.00 O ATOM 0 H ASP A 72 -6.600 -3.480 2.724 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.218 -3.969 1.786 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.365 -4.470 4.087 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.231 -2.753 4.410 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.388 -0.819 2.258 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.802 0.551 1.982 1.00 1.00 C ATOM 1082 C VAL A 73 -8.823 0.817 0.481 1.00 1.00 C ATOM 1083 O VAL A 73 -9.758 1.425 -0.038 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.852 1.535 2.665 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.216 2.967 2.264 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.971 1.386 4.183 1.00 1.00 C ATOM 0 H VAL A 73 -7.445 -0.911 2.636 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.809 0.689 2.376 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.829 1.323 2.355 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.537 3.666 2.753 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.131 3.075 1.183 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.240 3.182 2.571 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.294 2.087 4.672 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.995 1.597 4.490 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.708 0.368 4.470 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.777 0.375 -0.208 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.680 0.592 -1.647 1.00 1.00 C ATOM 1098 C ILE A 74 -8.827 -0.088 -2.384 1.00 1.00 C ATOM 1099 O ILE A 74 -9.490 0.533 -3.214 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.347 0.041 -2.168 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.194 0.900 -1.639 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.337 0.062 -3.702 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.871 0.164 -1.854 1.00 1.00 C ATOM 0 H ILE A 74 -6.991 -0.131 0.201 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.736 1.665 -1.830 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.226 -0.985 -1.822 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.176 1.861 -2.154 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.338 1.109 -0.579 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.387 -0.331 -4.065 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.153 -0.555 -4.080 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.464 1.086 -4.053 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.050 0.774 -1.478 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.892 -0.786 -1.319 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.727 -0.022 -2.918 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.053 -1.357 -2.078 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.118 -2.112 -2.724 1.00 1.00 C ATOM 1117 C GLU A 75 -11.487 -1.568 -2.323 1.00 1.00 C ATOM 1118 O GLU A 75 -12.444 -1.629 -3.096 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.011 -3.589 -2.340 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.388 -3.774 -0.863 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.905 -3.857 -0.700 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.543 -4.443 -1.558 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.407 -3.319 0.274 1.00 1.00 O ATOM 0 H GLU A 75 -8.516 -1.884 -1.389 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.010 -2.010 -3.804 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.670 -4.186 -2.970 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.996 -3.946 -2.513 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.925 -4.681 -0.475 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.999 -2.942 -0.276 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.574 -1.056 -1.102 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.828 -0.518 -0.594 1.00 1.00 C ATOM 1132 C GLY A 76 -13.229 0.751 -1.339 1.00 1.00 C ATOM 1133 O GLY A 76 -14.412 1.089 -1.416 1.00 1.00 O ATOM 0 H GLY A 76 -10.794 -1.002 -0.447 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.615 -1.266 -0.695 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.729 -0.302 0.470 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.241 1.454 -1.876 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.499 2.681 -2.610 1.00 1.00 C ATOM 1139 C LEU A 77 -13.072 2.385 -3.986 1.00 1.00 C ATOM 1140 O LEU A 77 -13.881 3.151 -4.508 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.208 3.488 -2.739 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.841 4.100 -1.376 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.382 4.563 -1.403 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.753 5.307 -1.062 1.00 1.00 C ATOM 0 H LEU A 77 -11.256 1.195 -1.816 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.235 3.264 -2.057 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.400 2.846 -3.090 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.333 4.277 -3.481 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.978 3.343 -0.603 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.120 4.997 -0.438 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.733 3.711 -1.606 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.252 5.312 -2.185 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.480 5.728 -0.094 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.631 6.066 -1.835 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.793 4.980 -1.035 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.628 1.287 -4.575 1.00 1.00 N ATOM 1157 CA LEU A 78 -13.088 0.915 -5.906 1.00 1.00 C ATOM 1158 C LEU A 78 -14.591 0.677 -5.912 1.00 1.00 C ATOM 1159 O LEU A 78 -15.300 1.109 -6.821 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.373 -0.358 -6.360 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.874 -0.234 -6.074 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.124 -1.408 -6.710 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.337 1.091 -6.625 1.00 1.00 C ATOM 0 H LEU A 78 -11.956 0.642 -4.159 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.860 1.733 -6.589 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.783 -1.223 -5.839 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.538 -0.520 -7.425 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.718 -0.253 -4.995 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.058 -1.314 -6.503 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.493 -2.345 -6.293 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -10.286 -1.402 -7.788 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.270 1.167 -6.415 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.498 1.129 -7.702 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.860 1.921 -6.150 1.00 1.00 H new ATOM 1175 N GLU A 79 -15.071 -0.010 -4.891 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.494 -0.297 -4.782 1.00 1.00 C ATOM 1177 C GLU A 79 -17.278 0.976 -4.460 1.00 1.00 C ATOM 1178 O GLU A 79 -18.284 1.280 -5.101 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.738 -1.343 -3.689 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.970 -0.970 -2.415 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.094 -2.075 -1.382 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -15.864 -3.220 -1.735 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.408 -1.759 -0.248 1.00 1.00 O ATOM 0 H GLU A 79 -14.502 -0.379 -4.129 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.839 -0.688 -5.739 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -17.804 -1.411 -3.472 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -16.421 -2.325 -4.039 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.920 -0.801 -2.652 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.359 -0.037 -2.008 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.812 1.704 -3.455 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.473 2.936 -3.043 1.00 1.00 C ATOM 1192 C LYS A 80 -17.299 4.022 -4.096 1.00 1.00 C ATOM 1193 O LYS A 80 -18.266 4.667 -4.501 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.897 3.422 -1.713 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.715 4.610 -1.208 1.00 1.00 C ATOM 1196 CD LYS A 80 -17.244 4.990 0.200 1.00 1.00 C ATOM 1197 CE LYS A 80 -15.785 5.471 0.157 1.00 1.00 C ATOM 1198 NZ LYS A 80 -14.878 4.293 0.260 1.00 1.00 N ATOM 0 H LYS A 80 -15.983 1.465 -2.911 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.536 2.727 -2.926 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.916 2.616 -0.980 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.854 3.713 -1.840 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.600 5.458 -1.883 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.775 4.356 -1.193 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -17.882 5.775 0.606 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -17.333 4.131 0.866 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -15.595 6.012 -0.770 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -15.594 6.165 0.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -14.107 4.506 0.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -15.414 3.471 0.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -14.479 4.079 -0.676 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.061 4.215 -4.538 1.00 1.00 N ATOM 1213 CA LYS A 81 -15.770 5.226 -5.547 1.00 1.00 C ATOM 1214 C LYS A 81 -16.493 6.530 -5.229 1.00 1.00 C ATOM 1215 O LYS A 81 -17.083 6.683 -4.159 1.00 1.00 O ATOM 1216 CB LYS A 81 -16.203 4.708 -6.933 1.00 1.00 C ATOM 1217 CG LYS A 81 -15.083 3.854 -7.559 1.00 1.00 C ATOM 1218 CD LYS A 81 -14.083 4.758 -8.288 1.00 1.00 C ATOM 1219 CE LYS A 81 -13.027 3.902 -8.970 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.069 4.786 -9.689 1.00 1.00 N ATOM 0 H LYS A 81 -15.249 3.689 -4.216 1.00 1.00 H new ATOM 0 HA LYS A 81 -14.698 5.422 -5.549 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -17.113 4.115 -6.839 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -16.437 5.549 -7.586 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.572 3.283 -6.783 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -15.510 3.133 -8.256 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -14.601 5.371 -9.026 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -13.612 5.441 -7.581 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -12.499 3.298 -8.232 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -13.498 3.211 -9.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.345 4.205 -10.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.580 5.344 -10.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -11.612 5.428 -9.010 1.00 1.00 H new ATOM 1234 N ALA A 82 -16.436 7.470 -6.166 1.00 1.00 N ATOM 1235 CA ALA A 82 -17.085 8.758 -5.981 1.00 1.00 C ATOM 1236 C ALA A 82 -18.591 8.575 -5.824 1.00 1.00 C ATOM 1237 O ALA A 82 -19.210 9.430 -5.213 1.00 1.00 O ATOM 1238 CB ALA A 82 -16.800 9.665 -7.179 1.00 1.00 C ATOM 1239 OXT ALA A 82 -19.103 7.582 -6.317 1.00 1.00 O ATOM 0 H ALA A 82 -15.949 7.363 -7.056 1.00 1.00 H new ATOM 0 HA ALA A 82 -16.688 9.220 -5.077 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.290 10.627 -7.032 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -15.725 9.816 -7.273 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.182 9.199 -8.087 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.354 11.405 5.913 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.273 12.659 6.918 1.00 1.00 P HETATM 1248 O25 PNS A 101 8.504 13.895 6.138 1.00 1.00 O HETATM 1249 O26 PNS A 101 9.113 12.362 8.098 1.00 1.00 O HETATM 1250 O27 PNS A 101 6.731 12.636 7.382 1.00 1.00 O HETATM 1251 C28 PNS A 101 6.309 11.782 8.435 1.00 1.00 C HETATM 1252 C29 PNS A 101 4.876 11.308 8.160 1.00 1.00 C HETATM 1253 C30 PNS A 101 4.759 10.817 6.719 1.00 1.00 C HETATM 1254 C31 PNS A 101 3.908 12.477 8.391 1.00 1.00 C HETATM 1255 C32 PNS A 101 4.522 10.153 9.091 1.00 1.00 C HETATM 1256 O33 PNS A 101 5.465 9.115 8.897 1.00 1.00 O HETATM 1257 C34 PNS A 101 4.578 10.620 10.542 1.00 1.00 C HETATM 1258 O35 PNS A 101 5.655 10.873 11.076 1.00 1.00 O HETATM 1259 N36 PNS A 101 3.409 10.735 11.171 1.00 1.00 N HETATM 1260 C37 PNS A 101 3.327 11.179 12.565 1.00 1.00 C HETATM 1261 C38 PNS A 101 2.644 10.113 13.419 1.00 1.00 C HETATM 1262 C39 PNS A 101 3.157 8.729 13.037 1.00 1.00 C HETATM 1263 O40 PNS A 101 4.290 8.367 13.356 1.00 1.00 O HETATM 1264 N41 PNS A 101 2.319 7.961 12.352 1.00 1.00 N HETATM 1265 C42 PNS A 101 2.702 6.618 11.933 1.00 1.00 C HETATM 1266 C43 PNS A 101 1.592 5.995 11.075 1.00 1.00 C HETATM 1267 S44 PNS A 101 2.313 4.852 9.903 1.00 1.00 S HETATM 0 H432 PNS A 101 0.875 5.476 11.711 1.00 1.00 H new HETATM 0 H431 PNS A 101 1.044 6.776 10.547 1.00 1.00 H new HETATM 0 H422 PNS A 101 2.889 5.995 12.808 1.00 1.00 H new HETATM 0 H421 PNS A 101 3.632 6.657 11.366 1.00 1.00 H new HETATM 0 H382 PNS A 101 1.564 10.161 13.279 1.00 1.00 H new HETATM 0 H381 PNS A 101 2.837 10.303 14.475 1.00 1.00 H new HETATM 0 H372 PNS A 101 2.770 12.114 12.624 1.00 1.00 H new HETATM 0 H371 PNS A 101 4.327 11.378 12.950 1.00 1.00 H new HETATM 0 H313 PNS A 101 2.887 12.148 8.197 1.00 1.00 H new HETATM 0 H312 PNS A 101 4.159 13.296 7.717 1.00 1.00 H new HETATM 0 H311 PNS A 101 3.990 12.819 9.423 1.00 1.00 H new HETATM 0 H303 PNS A 101 3.739 10.482 6.530 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.449 9.988 6.560 1.00 1.00 H new HETATM 0 H301 PNS A 101 5.006 11.630 6.036 1.00 1.00 H new HETATM 0 H282 PNS A 101 6.353 12.311 9.387 1.00 1.00 H new HETATM 0 H281 PNS A 101 6.979 10.926 8.515 1.00 1.00 H new HETATM 0 H41 PNS A 101 1.393 8.316 12.115 1.00 1.00 H new HETATM 0 H36 PNS A 101 2.550 10.508 10.670 1.00 1.00 H new HETATM 0 H33 PNS A 101 6.075 9.080 9.663 1.00 1.00 H new HETATM 0 H32 PNS A 101 3.515 9.797 8.872 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.107 5.252 8.223 1.00 1.00 C HETATM 1289 O1 DKA A 102 1.515 6.238 7.842 1.00 1.00 O HETATM 1290 C2 DKA A 102 2.748 4.235 7.327 1.00 1.00 C HETATM 1291 C3 DKA A 102 1.994 4.167 6.003 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.551 3.016 5.153 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.571 2.673 4.033 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.595 3.775 2.970 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.716 3.370 1.778 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.754 3.674 2.089 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.608 3.365 0.864 1.00 1.00 C HETATM 1298 C10 DKA A 102 -3.083 3.541 1.220 1.00 1.00 C HETATM 0 H103 DKA A 102 -3.346 2.860 2.029 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.260 4.568 1.539 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.697 3.321 0.347 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.339 4.028 0.042 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.423 2.346 0.525 1.00 1.00 H new HETATM 0 H82 DKA A 102 -1.088 3.078 2.938 1.00 1.00 H new HETATM 0 H81 DKA A 102 -0.868 4.721 2.370 1.00 1.00 H new HETATM 0 H72 DKA A 102 1.027 3.911 0.884 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.840 2.308 1.567 1.00 1.00 H new HETATM 0 H62 DKA A 102 1.236 4.712 3.396 1.00 1.00 H new HETATM 0 H61 DKA A 102 2.618 3.948 2.636 1.00 1.00 H new HETATM 0 H52 DKA A 102 1.837 1.716 3.584 1.00 1.00 H new HETATM 0 H51 DKA A 102 0.564 2.567 4.437 1.00 1.00 H new HETATM 0 H42 DKA A 102 3.515 3.299 4.730 1.00 1.00 H new HETATM 0 H41 DKA A 102 2.722 2.140 5.779 1.00 1.00 H new HETATM 0 H32 DKA A 102 0.930 4.016 6.186 1.00 1.00 H new HETATM 0 H31 DKA A 102 2.094 5.111 5.467 1.00 1.00 H new HETATM 0 H22 DKA A 102 3.791 4.499 7.149 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.744 3.258 7.809 1.00 1.00 H new