USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.35) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.465 (180deg=-1.96!) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.137 (180deg=-1.28!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -0.0471 (180deg=-0.422) USER MOD Single : A 5 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.66) USER MOD Single : A 6 THR OG1 : rot 84:sc= 0.0974 USER MOD Single : A 10 THR OG1 : rot -66:sc= 1.14 USER MOD Single : A 11 ASN : amide:sc= -0.906 K(o=-0.91,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 135:sc= -0.136 (180deg=-1) USER MOD Single : A 16 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1.5) USER MOD Single : A 21 MET CE :methyl 145:sc= -0.0494 (180deg=-0.528) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= -1.52 (180deg=-2.02) USER MOD Single : A 38 ASN : amide:sc= -5.87! C(o=-5.9!,f=-14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.65! C(o=-2.6!,f=-9.4!) USER MOD Single : A 48 SER OG : rot -143:sc= 0.217 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -80:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0485 K(o=-0.048,f=-1.6!) USER MOD Single : A 68 THR OG1 : rot 160:sc= -4.13! USER MOD Single : A 71 GLN : amide:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 84 ASN : amide:sc= -1.96! C(o=-2!,f=-2.2!) USER MOD Single : A 85 SER OG : rot -55:sc= 0.428! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.524 -14.689 15.598 1.00 0.00 N ATOM 2 CA MET A 1 48.629 -14.640 16.596 1.00 0.00 C ATOM 3 C MET A 1 49.778 -13.808 16.038 1.00 0.00 C ATOM 4 O MET A 1 49.672 -13.231 14.955 1.00 0.00 O ATOM 5 CB MET A 1 49.110 -16.063 16.891 1.00 0.00 C ATOM 6 CG MET A 1 49.473 -16.761 15.579 1.00 0.00 C ATOM 7 SD MET A 1 49.808 -18.511 15.900 1.00 0.00 S ATOM 8 CE MET A 1 48.143 -18.964 16.446 1.00 0.00 C ATOM 0 H1 MET A 1 47.081 -15.630 15.616 1.00 0.00 H new ATOM 0 H2 MET A 1 46.813 -13.967 15.832 1.00 0.00 H new ATOM 0 H3 MET A 1 47.905 -14.504 14.648 1.00 0.00 H new ATOM 0 HA MET A 1 48.272 -14.184 17.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.976 -16.036 17.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.331 -16.622 17.409 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.657 -16.661 14.863 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.348 -16.288 15.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.930 -19.991 16.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 48.080 -18.879 17.531 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.415 -18.295 15.987 1.00 0.00 H new ATOM 20 N THR A 2 50.877 -13.750 16.783 1.00 0.00 N ATOM 21 CA THR A 2 52.041 -12.985 16.352 1.00 0.00 C ATOM 22 C THR A 2 52.907 -13.813 15.409 1.00 0.00 C ATOM 23 O THR A 2 52.830 -15.042 15.398 1.00 0.00 O ATOM 24 CB THR A 2 52.868 -12.562 17.568 1.00 0.00 C ATOM 25 OG1 THR A 2 53.265 -13.717 18.294 1.00 0.00 O ATOM 26 CG2 THR A 2 52.029 -11.654 18.469 1.00 0.00 C ATOM 0 H THR A 2 50.986 -14.220 17.682 1.00 0.00 H new ATOM 0 HA THR A 2 51.693 -12.098 15.823 1.00 0.00 H new ATOM 0 HB THR A 2 53.753 -12.020 17.234 1.00 0.00 H new ATOM 0 HG1 THR A 2 53.796 -13.448 19.072 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.620 -11.354 19.334 1.00 0.00 H new ATOM 0 HG22 THR A 2 51.726 -10.768 17.911 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.143 -12.193 18.804 1.00 0.00 H new ATOM 34 N VAL A 3 53.731 -13.133 14.619 1.00 0.00 N ATOM 35 CA VAL A 3 54.607 -13.817 13.676 1.00 0.00 C ATOM 36 C VAL A 3 56.025 -13.260 13.760 1.00 0.00 C ATOM 37 O VAL A 3 56.252 -12.076 13.515 1.00 0.00 O ATOM 38 CB VAL A 3 54.075 -13.649 12.252 1.00 0.00 C ATOM 39 CG1 VAL A 3 54.955 -14.439 11.281 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.640 -14.174 12.180 1.00 0.00 C ATOM 0 H VAL A 3 53.810 -12.116 14.613 1.00 0.00 H new ATOM 0 HA VAL A 3 54.629 -14.876 13.933 1.00 0.00 H new ATOM 0 HB VAL A 3 54.091 -12.594 11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.576 -14.319 10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 3 55.978 -14.067 11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.939 -15.495 11.552 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.259 -14.055 11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.625 -15.229 12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.012 -13.612 12.871 1.00 0.00 H new ATOM 50 N LYS A 4 56.974 -14.123 14.107 1.00 0.00 N ATOM 51 CA LYS A 4 58.367 -13.707 14.220 1.00 0.00 C ATOM 52 C LYS A 4 59.261 -14.590 13.357 1.00 0.00 C ATOM 53 O LYS A 4 58.802 -15.572 12.773 1.00 0.00 O ATOM 54 CB LYS A 4 58.820 -13.790 15.679 1.00 0.00 C ATOM 55 CG LYS A 4 58.581 -15.205 16.209 1.00 0.00 C ATOM 56 CD LYS A 4 58.665 -15.200 17.737 1.00 0.00 C ATOM 57 CE LYS A 4 58.323 -16.591 18.272 1.00 0.00 C ATOM 58 NZ LYS A 4 59.345 -17.569 17.803 1.00 0.00 N ATOM 0 H LYS A 4 56.806 -15.108 14.313 1.00 0.00 H new ATOM 0 HA LYS A 4 58.449 -12.677 13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.877 -13.535 15.758 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.272 -13.067 16.283 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.603 -15.564 15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 4 59.322 -15.889 15.796 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.667 -14.913 18.056 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.976 -14.462 18.147 1.00 0.00 H new ATOM 0 HE2 LYS A 4 58.292 -16.576 19.361 1.00 0.00 H new ATOM 0 HE3 LYS A 4 57.333 -16.891 17.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 59.290 -18.432 18.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.166 -17.807 16.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 60.293 -17.151 17.894 1.00 0.00 H new ATOM 72 N GLN A 5 60.540 -14.235 13.281 1.00 0.00 N ATOM 73 CA GLN A 5 61.489 -15.004 12.485 1.00 0.00 C ATOM 74 C GLN A 5 62.921 -14.666 12.885 1.00 0.00 C ATOM 75 O GLN A 5 63.287 -13.495 12.989 1.00 0.00 O ATOM 76 CB GLN A 5 61.288 -14.705 10.998 1.00 0.00 C ATOM 77 CG GLN A 5 61.009 -16.009 10.248 1.00 0.00 C ATOM 78 CD GLN A 5 62.199 -16.954 10.385 1.00 0.00 C ATOM 79 OE1 GLN A 5 62.195 -17.838 11.242 1.00 0.00 O ATOM 80 NE2 GLN A 5 63.222 -16.819 9.587 1.00 0.00 N ATOM 0 H GLN A 5 60.940 -13.426 13.757 1.00 0.00 H new ATOM 0 HA GLN A 5 61.313 -16.064 12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.458 -14.012 10.865 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.176 -14.221 10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.111 -16.482 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 5 60.820 -15.799 9.195 1.00 0.00 H new ATOM 0 HE21 GLN A 5 63.222 -16.086 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 5 64.021 -17.447 9.672 1.00 0.00 H new ATOM 89 N THR A 6 63.728 -15.698 13.107 1.00 0.00 N ATOM 90 CA THR A 6 65.119 -15.498 13.496 1.00 0.00 C ATOM 91 C THR A 6 65.968 -15.137 12.281 1.00 0.00 C ATOM 92 O THR A 6 65.944 -15.832 11.266 1.00 0.00 O ATOM 93 CB THR A 6 65.668 -16.771 14.145 1.00 0.00 C ATOM 94 OG1 THR A 6 64.624 -17.727 14.265 1.00 0.00 O ATOM 95 CG2 THR A 6 66.223 -16.440 15.531 1.00 0.00 C ATOM 0 H THR A 6 63.446 -16.675 13.025 1.00 0.00 H new ATOM 0 HA THR A 6 65.162 -14.678 14.212 1.00 0.00 H new ATOM 0 HB THR A 6 66.466 -17.181 13.526 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.530 -18.217 13.421 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.614 -17.347 15.993 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.024 -15.707 15.437 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.427 -16.030 16.153 1.00 0.00 H new ATOM 103 N VAL A 7 66.719 -14.046 12.394 1.00 0.00 N ATOM 104 CA VAL A 7 67.573 -13.602 11.299 1.00 0.00 C ATOM 105 C VAL A 7 68.993 -13.348 11.796 1.00 0.00 C ATOM 106 O VAL A 7 69.205 -12.571 12.727 1.00 0.00 O ATOM 107 CB VAL A 7 67.010 -12.321 10.683 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.928 -11.848 9.555 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.614 -12.598 10.120 1.00 0.00 C ATOM 0 H VAL A 7 66.754 -13.457 13.226 1.00 0.00 H new ATOM 0 HA VAL A 7 67.599 -14.387 10.543 1.00 0.00 H new ATOM 0 HB VAL A 7 66.949 -11.548 11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.525 -10.935 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.923 -11.651 9.954 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.991 -12.621 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.211 -11.685 9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.677 -13.372 9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.958 -12.934 10.923 1.00 0.00 H new ATOM 119 N GLU A 8 69.961 -14.010 11.171 1.00 0.00 N ATOM 120 CA GLU A 8 71.357 -13.848 11.559 1.00 0.00 C ATOM 121 C GLU A 8 71.941 -12.579 10.949 1.00 0.00 C ATOM 122 O GLU A 8 71.870 -12.371 9.737 1.00 0.00 O ATOM 123 CB GLU A 8 72.170 -15.059 11.098 1.00 0.00 C ATOM 124 CG GLU A 8 73.591 -14.963 11.656 1.00 0.00 C ATOM 125 CD GLU A 8 74.397 -16.191 11.245 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.825 -17.068 10.620 1.00 0.00 O ATOM 127 OE2 GLU A 8 75.575 -16.235 11.561 1.00 0.00 O ATOM 0 H GLU A 8 69.806 -14.659 10.399 1.00 0.00 H new ATOM 0 HA GLU A 8 71.405 -13.769 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 8 71.696 -15.979 11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 8 72.198 -15.099 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 8 74.075 -14.059 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 8 73.559 -14.886 12.743 1.00 0.00 H new ATOM 134 N ILE A 9 72.519 -11.733 11.795 1.00 0.00 N ATOM 135 CA ILE A 9 73.113 -10.486 11.328 1.00 0.00 C ATOM 136 C ILE A 9 74.578 -10.696 10.958 1.00 0.00 C ATOM 137 O ILE A 9 75.436 -10.826 11.831 1.00 0.00 O ATOM 138 CB ILE A 9 73.009 -9.417 12.417 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.581 -9.388 12.967 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.354 -8.049 11.826 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.586 -9.394 11.805 1.00 0.00 C ATOM 0 H ILE A 9 72.589 -11.886 12.801 1.00 0.00 H new ATOM 0 HA ILE A 9 72.569 -10.156 10.443 1.00 0.00 H new ATOM 0 HB ILE A 9 73.706 -9.651 13.222 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.410 -10.251 13.610 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.434 -8.499 13.581 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.280 -7.288 12.603 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.371 -8.068 11.433 1.00 0.00 H new ATOM 0 HG23 ILE A 9 72.658 -7.815 11.021 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.569 -9.373 12.197 1.00 0.00 H new ATOM 0 HD12 ILE A 9 70.752 -8.517 11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.727 -10.296 11.210 1.00 0.00 H new ATOM 153 N THR A 10 74.856 -10.730 9.659 1.00 0.00 N ATOM 154 CA THR A 10 76.221 -10.926 9.184 1.00 0.00 C ATOM 155 C THR A 10 76.981 -9.603 9.175 1.00 0.00 C ATOM 156 O THR A 10 77.491 -9.177 8.139 1.00 0.00 O ATOM 157 CB THR A 10 76.204 -11.518 7.773 1.00 0.00 C ATOM 158 OG1 THR A 10 77.467 -11.304 7.157 1.00 0.00 O ATOM 159 CG2 THR A 10 75.110 -10.841 6.947 1.00 0.00 C ATOM 0 H THR A 10 74.160 -10.625 8.921 1.00 0.00 H new ATOM 0 HA THR A 10 76.725 -11.616 9.860 1.00 0.00 H new ATOM 0 HB THR A 10 76.003 -12.588 7.829 1.00 0.00 H new ATOM 0 HG1 THR A 10 77.607 -10.343 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 10 75.099 -11.263 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 10 74.142 -11.005 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 10 75.308 -9.771 6.888 1.00 0.00 H new ATOM 167 N ASN A 11 77.052 -8.959 10.335 1.00 0.00 N ATOM 168 CA ASN A 11 77.752 -7.685 10.448 1.00 0.00 C ATOM 169 C ASN A 11 77.104 -6.635 9.551 1.00 0.00 C ATOM 170 O ASN A 11 77.766 -5.707 9.086 1.00 0.00 O ATOM 171 CB ASN A 11 79.220 -7.859 10.055 1.00 0.00 C ATOM 172 CG ASN A 11 79.851 -8.976 10.878 1.00 0.00 C ATOM 173 OD1 ASN A 11 80.406 -9.923 10.319 1.00 0.00 O ATOM 174 ND2 ASN A 11 79.799 -8.924 12.181 1.00 0.00 N ATOM 0 H ASN A 11 76.637 -9.295 11.204 1.00 0.00 H new ATOM 0 HA ASN A 11 77.690 -7.349 11.483 1.00 0.00 H new ATOM 0 HB2 ASN A 11 79.296 -8.092 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 11 79.761 -6.927 10.217 1.00 0.00 H new ATOM 0 HD21 ASN A 11 80.218 -9.668 12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 11 79.339 -8.139 12.642 1.00 0.00 H new ATOM 181 N LYS A 12 75.805 -6.789 9.313 1.00 0.00 N ATOM 182 CA LYS A 12 75.077 -5.847 8.470 1.00 0.00 C ATOM 183 C LYS A 12 73.574 -6.089 8.572 1.00 0.00 C ATOM 184 O LYS A 12 73.027 -6.955 7.890 1.00 0.00 O ATOM 185 CB LYS A 12 75.521 -5.998 7.014 1.00 0.00 C ATOM 186 CG LYS A 12 74.679 -5.080 6.125 1.00 0.00 C ATOM 187 CD LYS A 12 75.060 -5.298 4.659 1.00 0.00 C ATOM 188 CE LYS A 12 74.290 -4.311 3.779 1.00 0.00 C ATOM 189 NZ LYS A 12 74.734 -4.458 2.364 1.00 0.00 N ATOM 0 H LYS A 12 75.239 -7.550 9.688 1.00 0.00 H new ATOM 0 HA LYS A 12 75.296 -4.836 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 12 76.577 -5.747 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 12 75.409 -7.034 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 12 73.619 -5.287 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 12 74.841 -4.039 6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 12 76.133 -5.159 4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 12 74.832 -6.321 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 12 73.219 -4.497 3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 74.462 -3.291 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 74.211 -3.788 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 75.753 -4.260 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 74.548 -5.429 2.041 1.00 0.00 H new ATOM 203 N LEU A 13 72.913 -5.317 9.429 1.00 0.00 N ATOM 204 CA LEU A 13 71.473 -5.457 9.613 1.00 0.00 C ATOM 205 C LEU A 13 70.738 -5.196 8.302 1.00 0.00 C ATOM 206 O LEU A 13 69.518 -5.343 8.225 1.00 0.00 O ATOM 207 CB LEU A 13 70.985 -4.474 10.679 1.00 0.00 C ATOM 208 CG LEU A 13 70.312 -5.245 11.815 1.00 0.00 C ATOM 209 CD1 LEU A 13 69.873 -4.267 12.906 1.00 0.00 C ATOM 210 CD2 LEU A 13 69.087 -5.984 11.272 1.00 0.00 C ATOM 0 H LEU A 13 73.347 -4.594 10.003 1.00 0.00 H new ATOM 0 HA LEU A 13 71.264 -6.477 9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 13 71.823 -3.895 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 13 70.283 -3.765 10.241 1.00 0.00 H new ATOM 0 HG LEU A 13 71.016 -5.964 12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 13 69.393 -4.817 13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 13 70.744 -3.738 13.293 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.168 -3.548 12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.606 -6.534 12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.383 -5.264 10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 13 69.398 -6.681 10.494 1.00 0.00 H new ATOM 222 N GLY A 14 71.487 -4.810 7.275 1.00 0.00 N ATOM 223 CA GLY A 14 70.894 -4.532 5.972 1.00 0.00 C ATOM 224 C GLY A 14 71.604 -3.370 5.287 1.00 0.00 C ATOM 225 O GLY A 14 72.753 -3.058 5.602 1.00 0.00 O ATOM 0 H GLY A 14 72.498 -4.683 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 14 70.954 -5.421 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 14 69.836 -4.297 6.092 1.00 0.00 H new ATOM 229 N MET A 15 70.913 -2.731 4.348 1.00 0.00 N ATOM 230 CA MET A 15 71.488 -1.604 3.624 1.00 0.00 C ATOM 231 C MET A 15 71.627 -0.393 4.541 1.00 0.00 C ATOM 232 O MET A 15 70.713 0.424 4.649 1.00 0.00 O ATOM 233 CB MET A 15 70.602 -1.243 2.430 1.00 0.00 C ATOM 234 CG MET A 15 70.692 -2.348 1.375 1.00 0.00 C ATOM 235 SD MET A 15 69.587 -1.956 -0.004 1.00 0.00 S ATOM 236 CE MET A 15 70.519 -0.546 -0.649 1.00 0.00 C ATOM 0 H MET A 15 69.961 -2.972 4.072 1.00 0.00 H new ATOM 0 HA MET A 15 72.477 -1.892 3.268 1.00 0.00 H new ATOM 0 HB2 MET A 15 69.569 -1.119 2.755 1.00 0.00 H new ATOM 0 HB3 MET A 15 70.919 -0.291 2.003 1.00 0.00 H new ATOM 0 HG2 MET A 15 71.718 -2.442 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.418 -3.308 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 15 70.590 -0.623 -1.734 1.00 0.00 H new ATOM 0 HE2 MET A 15 70.009 0.380 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 15 71.521 -0.544 -0.219 1.00 0.00 H new ATOM 246 N HIS A 16 72.777 -0.285 5.200 1.00 0.00 N ATOM 247 CA HIS A 16 73.024 0.831 6.106 1.00 0.00 C ATOM 248 C HIS A 16 71.956 0.884 7.194 1.00 0.00 C ATOM 249 O HIS A 16 71.575 -0.144 7.753 1.00 0.00 O ATOM 250 CB HIS A 16 73.025 2.147 5.326 1.00 0.00 C ATOM 251 CG HIS A 16 73.924 2.019 4.127 1.00 0.00 C ATOM 252 ND1 HIS A 16 73.485 1.480 2.928 1.00 0.00 N ATOM 253 CD2 HIS A 16 75.240 2.357 3.926 1.00 0.00 C ATOM 254 CE1 HIS A 16 74.519 1.508 2.067 1.00 0.00 C ATOM 255 NE2 HIS A 16 75.613 2.033 2.625 1.00 0.00 N ATOM 0 H HIS A 16 73.546 -0.951 5.125 1.00 0.00 H new ATOM 0 HA HIS A 16 73.998 0.686 6.574 1.00 0.00 H new ATOM 0 HB2 HIS A 16 72.012 2.395 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.367 2.961 5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.887 2.806 4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 16 74.470 1.150 1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 16 76.526 2.168 2.191 1.00 0.00 H new ATOM 263 N ALA A 17 71.478 2.088 7.488 1.00 0.00 N ATOM 264 CA ALA A 17 70.453 2.263 8.511 1.00 0.00 C ATOM 265 C ALA A 17 69.089 2.489 7.868 1.00 0.00 C ATOM 266 O ALA A 17 68.107 2.773 8.555 1.00 0.00 O ATOM 267 CB ALA A 17 70.804 3.455 9.403 1.00 0.00 C ATOM 0 H ALA A 17 71.781 2.951 7.037 1.00 0.00 H new ATOM 0 HA ALA A 17 70.411 1.358 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 17 70.034 3.579 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 17 71.765 3.278 9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 17 70.863 4.359 8.796 1.00 0.00 H new ATOM 273 N ARG A 18 69.034 2.362 6.546 1.00 0.00 N ATOM 274 CA ARG A 18 67.784 2.555 5.820 1.00 0.00 C ATOM 275 C ARG A 18 66.704 1.622 6.357 1.00 0.00 C ATOM 276 O ARG A 18 65.590 2.051 6.657 1.00 0.00 O ATOM 277 CB ARG A 18 67.999 2.286 4.330 1.00 0.00 C ATOM 278 CG ARG A 18 68.055 3.615 3.574 1.00 0.00 C ATOM 279 CD ARG A 18 66.644 4.190 3.446 1.00 0.00 C ATOM 280 NE ARG A 18 66.692 5.518 2.845 1.00 0.00 N ATOM 281 CZ ARG A 18 66.829 5.673 1.533 1.00 0.00 C ATOM 282 NH1 ARG A 18 66.869 6.872 1.018 1.00 0.00 N ATOM 283 NH2 ARG A 18 66.924 4.627 0.758 1.00 0.00 N ATOM 0 H ARG A 18 69.835 2.128 5.959 1.00 0.00 H new ATOM 0 HA ARG A 18 67.460 3.586 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 18 68.925 1.731 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 18 67.190 1.668 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 68.699 4.319 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 18 68.489 3.465 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 18 66.028 3.529 2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 18 66.176 4.245 4.429 1.00 0.00 H new ATOM 0 HE ARG A 18 66.619 6.342 3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 18 66.795 7.690 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 18 66.974 6.991 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 18 66.893 3.690 1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 18 67.029 4.747 -0.249 1.00 0.00 H new ATOM 297 N PRO A 19 67.017 0.361 6.480 1.00 0.00 N ATOM 298 CA PRO A 19 66.062 -0.663 6.991 1.00 0.00 C ATOM 299 C PRO A 19 65.355 -0.204 8.264 1.00 0.00 C ATOM 300 O PRO A 19 64.127 -0.203 8.338 1.00 0.00 O ATOM 301 CB PRO A 19 66.946 -1.880 7.265 1.00 0.00 C ATOM 302 CG PRO A 19 68.126 -1.726 6.363 1.00 0.00 C ATOM 303 CD PRO A 19 68.324 -0.225 6.144 1.00 0.00 C ATOM 0 HA PRO A 19 65.261 -0.866 6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.253 -1.915 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.412 -2.808 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.015 -2.172 6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.956 -2.236 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.114 0.170 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.606 -0.006 5.114 1.00 0.00 H new ATOM 311 N ALA A 20 66.141 0.185 9.264 1.00 0.00 N ATOM 312 CA ALA A 20 65.579 0.645 10.528 1.00 0.00 C ATOM 313 C ALA A 20 64.688 1.862 10.306 1.00 0.00 C ATOM 314 O ALA A 20 63.580 1.938 10.838 1.00 0.00 O ATOM 315 CB ALA A 20 66.705 1.004 11.500 1.00 0.00 C ATOM 0 H ALA A 20 67.160 0.191 9.224 1.00 0.00 H new ATOM 0 HA ALA A 20 64.977 -0.159 10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.277 1.347 12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.323 0.125 11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.318 1.796 11.070 1.00 0.00 H new ATOM 321 N MET A 21 65.178 2.812 9.517 1.00 0.00 N ATOM 322 CA MET A 21 64.416 4.022 9.230 1.00 0.00 C ATOM 323 C MET A 21 63.180 3.691 8.400 1.00 0.00 C ATOM 324 O MET A 21 62.097 4.223 8.642 1.00 0.00 O ATOM 325 CB MET A 21 65.290 5.022 8.471 1.00 0.00 C ATOM 326 CG MET A 21 66.302 5.650 9.431 1.00 0.00 C ATOM 327 SD MET A 21 67.381 6.780 8.518 1.00 0.00 S ATOM 328 CE MET A 21 66.188 8.127 8.326 1.00 0.00 C ATOM 0 H MET A 21 66.093 2.769 9.068 1.00 0.00 H new ATOM 0 HA MET A 21 64.098 4.462 10.175 1.00 0.00 H new ATOM 0 HB2 MET A 21 65.810 4.520 7.655 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.668 5.797 8.023 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.782 6.188 10.223 1.00 0.00 H new ATOM 0 HG3 MET A 21 66.896 4.872 9.911 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.708 9.084 8.379 1.00 0.00 H new ATOM 0 HE2 MET A 21 65.690 8.037 7.360 1.00 0.00 H new ATOM 0 HE3 MET A 21 65.446 8.073 9.123 1.00 0.00 H new ATOM 338 N LYS A 22 63.350 2.807 7.422 1.00 0.00 N ATOM 339 CA LYS A 22 62.241 2.410 6.563 1.00 0.00 C ATOM 340 C LYS A 22 61.152 1.723 7.380 1.00 0.00 C ATOM 341 O LYS A 22 59.961 1.908 7.127 1.00 0.00 O ATOM 342 CB LYS A 22 62.739 1.462 5.471 1.00 0.00 C ATOM 343 CG LYS A 22 63.446 2.267 4.379 1.00 0.00 C ATOM 344 CD LYS A 22 62.405 2.883 3.443 1.00 0.00 C ATOM 345 CE LYS A 22 63.113 3.673 2.340 1.00 0.00 C ATOM 346 NZ LYS A 22 63.717 4.905 2.922 1.00 0.00 N ATOM 0 H LYS A 22 64.238 2.355 7.206 1.00 0.00 H new ATOM 0 HA LYS A 22 61.824 3.305 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.423 0.728 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 22 61.902 0.909 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.056 3.051 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.120 1.622 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 22 61.787 2.100 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 22 61.739 3.539 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.886 3.060 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 22 62.404 3.938 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.297 5.381 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.962 5.546 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.315 4.649 3.734 1.00 0.00 H new ATOM 360 N LEU A 23 61.568 0.928 8.361 1.00 0.00 N ATOM 361 CA LEU A 23 60.618 0.218 9.210 1.00 0.00 C ATOM 362 C LEU A 23 59.557 1.175 9.742 1.00 0.00 C ATOM 363 O LEU A 23 58.364 0.873 9.713 1.00 0.00 O ATOM 364 CB LEU A 23 61.353 -0.436 10.382 1.00 0.00 C ATOM 365 CG LEU A 23 61.334 -1.956 10.213 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.236 -2.599 11.267 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.903 -2.469 10.387 1.00 0.00 C ATOM 0 H LEU A 23 62.548 0.760 8.587 1.00 0.00 H new ATOM 0 HA LEU A 23 60.130 -0.552 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.381 -0.077 10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.878 -0.158 11.323 1.00 0.00 H new ATOM 0 HG LEU A 23 61.696 -2.215 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.222 -3.682 11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.256 -2.233 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 23 61.874 -2.340 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.888 -3.552 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.542 -2.209 11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.259 -2.012 9.636 1.00 0.00 H new ATOM 379 N PHE A 24 60.000 2.330 10.229 1.00 0.00 N ATOM 380 CA PHE A 24 59.078 3.325 10.764 1.00 0.00 C ATOM 381 C PHE A 24 58.025 3.693 9.724 1.00 0.00 C ATOM 382 O PHE A 24 56.854 3.885 10.052 1.00 0.00 O ATOM 383 CB PHE A 24 59.847 4.580 11.181 1.00 0.00 C ATOM 384 CG PHE A 24 60.277 4.451 12.623 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.471 3.794 12.942 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.481 4.989 13.641 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.870 3.675 14.278 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.879 4.869 14.978 1.00 0.00 C ATOM 389 CZ PHE A 24 61.073 4.212 15.297 1.00 0.00 C ATOM 0 H PHE A 24 60.983 2.598 10.264 1.00 0.00 H new ATOM 0 HA PHE A 24 58.579 2.899 11.635 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.719 4.715 10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.220 5.463 11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.085 3.379 12.156 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.560 5.497 13.395 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.792 3.169 14.523 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.264 5.284 15.763 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.380 4.119 16.328 1.00 0.00 H new ATOM 399 N GLU A 25 58.450 3.788 8.468 1.00 0.00 N ATOM 400 CA GLU A 25 57.535 4.132 7.387 1.00 0.00 C ATOM 401 C GLU A 25 56.628 2.950 7.058 1.00 0.00 C ATOM 402 O GLU A 25 55.457 3.128 6.724 1.00 0.00 O ATOM 403 CB GLU A 25 58.326 4.533 6.140 1.00 0.00 C ATOM 404 CG GLU A 25 59.057 5.852 6.402 1.00 0.00 C ATOM 405 CD GLU A 25 58.054 6.998 6.476 1.00 0.00 C ATOM 406 OE1 GLU A 25 56.952 6.828 5.980 1.00 0.00 O ATOM 407 OE2 GLU A 25 58.402 8.029 7.028 1.00 0.00 O ATOM 0 H GLU A 25 59.415 3.633 8.176 1.00 0.00 H new ATOM 0 HA GLU A 25 56.919 4.971 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.042 3.752 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.654 4.640 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.618 5.788 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.780 6.041 5.608 1.00 0.00 H new ATOM 414 N LEU A 26 57.179 1.745 7.156 1.00 0.00 N ATOM 415 CA LEU A 26 56.410 0.539 6.868 1.00 0.00 C ATOM 416 C LEU A 26 55.315 0.343 7.911 1.00 0.00 C ATOM 417 O LEU A 26 54.178 0.008 7.576 1.00 0.00 O ATOM 418 CB LEU A 26 57.335 -0.680 6.860 1.00 0.00 C ATOM 419 CG LEU A 26 58.325 -0.562 5.700 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.258 -1.773 5.699 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.555 -0.511 4.378 1.00 0.00 C ATOM 0 H LEU A 26 58.147 1.577 7.430 1.00 0.00 H new ATOM 0 HA LEU A 26 55.947 0.649 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.873 -0.748 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.749 -1.594 6.760 1.00 0.00 H new ATOM 0 HG LEU A 26 58.913 0.348 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 26 59.963 -1.688 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.806 -1.811 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.671 -2.684 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.259 -0.427 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 26 56.968 -1.422 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 26 56.890 0.352 4.378 1.00 0.00 H new ATOM 433 N MET A 27 55.665 0.553 9.176 1.00 0.00 N ATOM 434 CA MET A 27 54.702 0.397 10.260 1.00 0.00 C ATOM 435 C MET A 27 53.477 1.273 10.018 1.00 0.00 C ATOM 436 O MET A 27 52.373 0.948 10.454 1.00 0.00 O ATOM 437 CB MET A 27 55.350 0.780 11.592 1.00 0.00 C ATOM 438 CG MET A 27 54.284 1.332 12.540 1.00 0.00 C ATOM 439 SD MET A 27 54.925 1.338 14.232 1.00 0.00 S ATOM 440 CE MET A 27 53.739 2.519 14.920 1.00 0.00 C ATOM 0 H MET A 27 56.600 0.829 9.474 1.00 0.00 H new ATOM 0 HA MET A 27 54.388 -0.646 10.295 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.832 -0.090 12.037 1.00 0.00 H new ATOM 0 HB3 MET A 27 56.128 1.526 11.429 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.005 2.343 12.242 1.00 0.00 H new ATOM 0 HG3 MET A 27 53.382 0.723 12.484 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.787 2.490 16.009 1.00 0.00 H new ATOM 0 HE2 MET A 27 53.982 3.523 14.573 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.733 2.256 14.594 1.00 0.00 H new ATOM 450 N GLN A 28 53.680 2.385 9.318 1.00 0.00 N ATOM 451 CA GLN A 28 52.585 3.300 9.022 1.00 0.00 C ATOM 452 C GLN A 28 51.829 2.846 7.777 1.00 0.00 C ATOM 453 O GLN A 28 50.615 3.023 7.677 1.00 0.00 O ATOM 454 CB GLN A 28 53.129 4.713 8.804 1.00 0.00 C ATOM 455 CG GLN A 28 53.772 5.219 10.096 1.00 0.00 C ATOM 456 CD GLN A 28 52.728 5.287 11.206 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.679 5.908 11.034 1.00 0.00 O ATOM 458 NE2 GLN A 28 52.954 4.683 12.340 1.00 0.00 N ATOM 0 H GLN A 28 54.586 2.672 8.948 1.00 0.00 H new ATOM 0 HA GLN A 28 51.899 3.302 9.869 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.862 4.711 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.323 5.381 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 28 54.586 4.556 10.391 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.207 6.205 9.934 1.00 0.00 H new ATOM 0 HE21 GLN A 28 53.824 4.169 12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 28 52.261 4.724 13.087 1.00 0.00 H new ATOM 467 N GLY A 29 52.556 2.258 6.832 1.00 0.00 N ATOM 468 CA GLY A 29 51.944 1.780 5.598 1.00 0.00 C ATOM 469 C GLY A 29 51.224 0.456 5.825 1.00 0.00 C ATOM 470 O GLY A 29 50.174 0.200 5.237 1.00 0.00 O ATOM 0 H GLY A 29 53.562 2.102 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.239 2.523 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.710 1.656 4.832 1.00 0.00 H new ATOM 474 N PHE A 30 51.797 -0.383 6.682 1.00 0.00 N ATOM 475 CA PHE A 30 51.201 -1.680 6.981 1.00 0.00 C ATOM 476 C PHE A 30 50.458 -1.634 8.313 1.00 0.00 C ATOM 477 O PHE A 30 50.704 -0.757 9.141 1.00 0.00 O ATOM 478 CB PHE A 30 52.289 -2.754 7.038 1.00 0.00 C ATOM 479 CG PHE A 30 53.169 -2.646 5.816 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.523 -2.990 5.896 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.630 -2.201 4.603 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.339 -2.889 4.763 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.446 -2.101 3.470 1.00 0.00 C ATOM 484 CZ PHE A 30 54.801 -2.445 3.550 1.00 0.00 C ATOM 0 H PHE A 30 52.667 -0.190 7.178 1.00 0.00 H new ATOM 0 HA PHE A 30 50.491 -1.924 6.190 1.00 0.00 H new ATOM 0 HB2 PHE A 30 52.887 -2.633 7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.835 -3.744 7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.939 -3.333 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.585 -1.935 4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.384 -3.154 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.030 -1.758 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.431 -2.368 2.676 1.00 0.00 H new ATOM 494 N ASP A 31 49.550 -2.583 8.512 1.00 0.00 N ATOM 495 CA ASP A 31 48.777 -2.639 9.747 1.00 0.00 C ATOM 496 C ASP A 31 49.310 -3.737 10.663 1.00 0.00 C ATOM 497 O ASP A 31 48.908 -4.896 10.558 1.00 0.00 O ATOM 498 CB ASP A 31 47.304 -2.906 9.431 1.00 0.00 C ATOM 499 CG ASP A 31 46.484 -2.892 10.716 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.082 -2.805 11.776 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.270 -2.969 10.622 1.00 0.00 O ATOM 0 H ASP A 31 49.332 -3.319 7.840 1.00 0.00 H new ATOM 0 HA ASP A 31 48.870 -1.679 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.928 -2.149 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 31 47.199 -3.870 8.934 1.00 0.00 H new ATOM 506 N ALA A 32 50.216 -3.364 11.560 1.00 0.00 N ATOM 507 CA ALA A 32 50.798 -4.325 12.490 1.00 0.00 C ATOM 508 C ALA A 32 51.959 -3.697 13.254 1.00 0.00 C ATOM 509 O ALA A 32 52.551 -2.715 12.806 1.00 0.00 O ATOM 510 CB ALA A 32 51.292 -5.556 11.728 1.00 0.00 C ATOM 0 H ALA A 32 50.562 -2.410 11.663 1.00 0.00 H new ATOM 0 HA ALA A 32 50.029 -4.623 13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.725 -6.269 12.430 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.455 -6.022 11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.048 -5.256 11.003 1.00 0.00 H new ATOM 516 N GLU A 33 52.279 -4.270 14.410 1.00 0.00 N ATOM 517 CA GLU A 33 53.371 -3.757 15.229 1.00 0.00 C ATOM 518 C GLU A 33 54.612 -4.630 15.074 1.00 0.00 C ATOM 519 O GLU A 33 54.556 -5.845 15.264 1.00 0.00 O ATOM 520 CB GLU A 33 52.950 -3.721 16.699 1.00 0.00 C ATOM 521 CG GLU A 33 54.023 -3.002 17.520 1.00 0.00 C ATOM 522 CD GLU A 33 53.541 -2.812 18.954 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.422 -3.206 19.239 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.297 -2.275 19.746 1.00 0.00 O ATOM 0 H GLU A 33 51.802 -5.084 14.798 1.00 0.00 H new ATOM 0 HA GLU A 33 53.607 -2.747 14.895 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.994 -3.208 16.802 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.810 -4.735 17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.947 -3.580 17.512 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.248 -2.034 17.072 1.00 0.00 H new ATOM 531 N VAL A 34 55.732 -4.003 14.728 1.00 0.00 N ATOM 532 CA VAL A 34 56.982 -4.734 14.551 1.00 0.00 C ATOM 533 C VAL A 34 57.903 -4.518 15.748 1.00 0.00 C ATOM 534 O VAL A 34 58.068 -3.395 16.222 1.00 0.00 O ATOM 535 CB VAL A 34 57.683 -4.266 13.275 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.044 -4.955 13.158 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.824 -4.628 12.061 1.00 0.00 C ATOM 0 H VAL A 34 55.800 -2.998 14.566 1.00 0.00 H new ATOM 0 HA VAL A 34 56.752 -5.796 14.471 1.00 0.00 H new ATOM 0 HB VAL A 34 57.824 -3.186 13.313 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.544 -4.621 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.656 -4.700 14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.903 -6.035 13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.322 -4.295 11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.684 -5.708 12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.853 -4.139 12.143 1.00 0.00 H new ATOM 547 N LEU A 35 58.500 -5.603 16.231 1.00 0.00 N ATOM 548 CA LEU A 35 59.403 -5.521 17.374 1.00 0.00 C ATOM 549 C LEU A 35 60.650 -6.365 17.133 1.00 0.00 C ATOM 550 O LEU A 35 60.565 -7.487 16.634 1.00 0.00 O ATOM 551 CB LEU A 35 58.692 -6.007 18.638 1.00 0.00 C ATOM 552 CG LEU A 35 59.714 -6.195 19.759 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.141 -5.655 21.070 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.028 -7.684 19.917 1.00 0.00 C ATOM 0 H LEU A 35 58.377 -6.542 15.853 1.00 0.00 H new ATOM 0 HA LEU A 35 59.701 -4.481 17.503 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.933 -5.286 18.941 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.177 -6.947 18.440 1.00 0.00 H new ATOM 0 HG LEU A 35 60.627 -5.653 19.512 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.870 -5.790 21.869 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.916 -4.594 20.959 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.228 -6.196 21.318 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.757 -7.819 20.716 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.114 -8.224 20.164 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.437 -8.071 18.984 1.00 0.00 H new ATOM 566 N LEU A 36 61.807 -5.818 17.491 1.00 0.00 N ATOM 567 CA LEU A 36 63.066 -6.531 17.308 1.00 0.00 C ATOM 568 C LEU A 36 63.628 -6.979 18.654 1.00 0.00 C ATOM 569 O LEU A 36 63.405 -6.332 19.677 1.00 0.00 O ATOM 570 CB LEU A 36 64.081 -5.627 16.605 1.00 0.00 C ATOM 571 CG LEU A 36 63.463 -5.065 15.324 1.00 0.00 C ATOM 572 CD1 LEU A 36 63.255 -3.558 15.476 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.402 -5.333 14.146 1.00 0.00 C ATOM 0 H LEU A 36 61.899 -4.891 17.906 1.00 0.00 H new ATOM 0 HA LEU A 36 62.877 -7.412 16.694 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.377 -4.813 17.266 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.984 -6.191 16.369 1.00 0.00 H new ATOM 0 HG LEU A 36 62.503 -5.548 15.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.815 -3.158 14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.587 -3.366 16.316 1.00 0.00 H new ATOM 0 HD13 LEU A 36 64.215 -3.075 15.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.963 -4.933 13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.362 -4.850 14.329 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.551 -6.407 14.037 1.00 0.00 H new ATOM 585 N ARG A 37 64.358 -8.090 18.644 1.00 0.00 N ATOM 586 CA ARG A 37 64.947 -8.616 19.870 1.00 0.00 C ATOM 587 C ARG A 37 66.276 -9.304 19.574 1.00 0.00 C ATOM 588 O ARG A 37 66.391 -10.064 18.613 1.00 0.00 O ATOM 589 CB ARG A 37 63.989 -9.613 20.525 1.00 0.00 C ATOM 590 CG ARG A 37 64.791 -10.645 21.321 1.00 0.00 C ATOM 591 CD ARG A 37 63.856 -11.399 22.268 1.00 0.00 C ATOM 592 NE ARG A 37 63.449 -10.535 23.370 1.00 0.00 N ATOM 593 CZ ARG A 37 62.684 -10.992 24.356 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.333 -10.200 25.331 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.285 -12.235 24.349 1.00 0.00 N ATOM 0 H ARG A 37 64.555 -8.640 17.808 1.00 0.00 H new ATOM 0 HA ARG A 37 65.125 -7.784 20.551 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.296 -9.089 21.183 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.390 -10.112 19.763 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.279 -11.344 20.642 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.579 -10.150 21.889 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.977 -11.744 21.724 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.358 -12.285 22.657 1.00 0.00 H new ATOM 0 HE ARG A 37 63.757 -9.563 23.384 1.00 0.00 H new ATOM 0 HH11 ARG A 37 62.646 -9.229 25.337 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.746 -10.551 26.087 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.560 -12.855 23.587 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.698 -12.586 25.105 1.00 0.00 H new ATOM 609 N ASN A 38 67.277 -9.030 20.405 1.00 0.00 N ATOM 610 CA ASN A 38 68.594 -9.629 20.221 1.00 0.00 C ATOM 611 C ASN A 38 68.708 -10.927 21.015 1.00 0.00 C ATOM 612 O ASN A 38 67.992 -11.131 21.995 1.00 0.00 O ATOM 613 CB ASN A 38 69.679 -8.652 20.678 1.00 0.00 C ATOM 614 CG ASN A 38 69.739 -7.459 19.730 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.126 -7.482 18.662 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.445 -6.412 20.057 1.00 0.00 N ATOM 0 H ASN A 38 67.203 -8.403 21.206 1.00 0.00 H new ATOM 0 HA ASN A 38 68.727 -9.851 19.162 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.469 -8.311 21.692 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.646 -9.155 20.704 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.490 -5.610 19.428 1.00 0.00 H new ATOM 0 HD22 ASN A 38 70.952 -6.395 20.942 1.00 0.00 H new ATOM 623 N ASP A 39 69.613 -11.800 20.584 1.00 0.00 N ATOM 624 CA ASP A 39 69.813 -13.075 21.262 1.00 0.00 C ATOM 625 C ASP A 39 70.053 -12.858 22.753 1.00 0.00 C ATOM 626 O ASP A 39 69.743 -13.722 23.573 1.00 0.00 O ATOM 627 CB ASP A 39 71.008 -13.809 20.652 1.00 0.00 C ATOM 628 CG ASP A 39 71.091 -15.226 21.211 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.173 -15.992 20.968 1.00 0.00 O ATOM 630 OD2 ASP A 39 72.071 -15.523 21.874 1.00 0.00 O ATOM 0 H ASP A 39 70.215 -11.649 19.775 1.00 0.00 H new ATOM 0 HA ASP A 39 68.914 -13.677 21.135 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.909 -13.843 19.567 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.928 -13.268 20.872 1.00 0.00 H new ATOM 635 N GLU A 40 70.608 -11.700 23.095 1.00 0.00 N ATOM 636 CA GLU A 40 70.886 -11.381 24.491 1.00 0.00 C ATOM 637 C GLU A 40 69.586 -11.202 25.269 1.00 0.00 C ATOM 638 O GLU A 40 69.592 -11.130 26.498 1.00 0.00 O ATOM 639 CB GLU A 40 71.716 -10.099 24.578 1.00 0.00 C ATOM 640 CG GLU A 40 73.014 -10.276 23.787 1.00 0.00 C ATOM 641 CD GLU A 40 73.798 -8.969 23.772 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.156 -8.504 24.842 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.030 -8.452 22.692 1.00 0.00 O ATOM 0 H GLU A 40 70.872 -10.972 22.431 1.00 0.00 H new ATOM 0 HA GLU A 40 71.447 -12.207 24.928 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.148 -9.258 24.181 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.941 -9.869 25.619 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.617 -11.066 24.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 72.788 -10.586 22.767 1.00 0.00 H new ATOM 650 N GLY A 41 68.474 -11.130 24.545 1.00 0.00 N ATOM 651 CA GLY A 41 67.172 -10.959 25.178 1.00 0.00 C ATOM 652 C GLY A 41 66.800 -9.484 25.272 1.00 0.00 C ATOM 653 O GLY A 41 65.848 -9.116 25.960 1.00 0.00 O ATOM 0 H GLY A 41 68.448 -11.187 23.527 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.413 -11.493 24.607 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.188 -11.398 26.176 1.00 0.00 H new ATOM 657 N THR A 42 67.559 -8.642 24.577 1.00 0.00 N ATOM 658 CA THR A 42 67.299 -7.207 24.590 1.00 0.00 C ATOM 659 C THR A 42 66.232 -6.847 23.562 1.00 0.00 C ATOM 660 O THR A 42 66.424 -7.036 22.361 1.00 0.00 O ATOM 661 CB THR A 42 68.587 -6.440 24.282 1.00 0.00 C ATOM 662 OG1 THR A 42 69.324 -6.253 25.483 1.00 0.00 O ATOM 663 CG2 THR A 42 68.241 -5.079 23.676 1.00 0.00 C ATOM 0 H THR A 42 68.353 -8.926 24.002 1.00 0.00 H new ATOM 0 HA THR A 42 66.940 -6.930 25.581 1.00 0.00 H new ATOM 0 HB THR A 42 69.187 -7.009 23.572 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.150 -5.763 25.287 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.159 -4.534 23.457 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.677 -5.224 22.755 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.640 -4.508 24.384 1.00 0.00 H new ATOM 671 N GLU A 43 65.107 -6.327 24.041 1.00 0.00 N ATOM 672 CA GLU A 43 64.015 -5.943 23.154 1.00 0.00 C ATOM 673 C GLU A 43 64.317 -4.610 22.478 1.00 0.00 C ATOM 674 O GLU A 43 64.196 -3.550 23.093 1.00 0.00 O ATOM 675 CB GLU A 43 62.712 -5.832 23.947 1.00 0.00 C ATOM 676 CG GLU A 43 62.365 -7.194 24.554 1.00 0.00 C ATOM 677 CD GLU A 43 61.051 -7.102 25.323 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.507 -6.013 25.399 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.609 -8.123 25.825 1.00 0.00 O ATOM 0 H GLU A 43 64.928 -6.163 25.032 1.00 0.00 H new ATOM 0 HA GLU A 43 63.909 -6.710 22.387 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.816 -5.087 24.735 1.00 0.00 H new ATOM 0 HB3 GLU A 43 61.905 -5.496 23.296 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.283 -7.943 23.766 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.164 -7.519 25.220 1.00 0.00 H new ATOM 686 N ALA A 44 64.709 -4.670 21.210 1.00 0.00 N ATOM 687 CA ALA A 44 65.025 -3.460 20.460 1.00 0.00 C ATOM 688 C ALA A 44 63.777 -2.913 19.774 1.00 0.00 C ATOM 689 O ALA A 44 63.693 -2.887 18.547 1.00 0.00 O ATOM 690 CB ALA A 44 66.096 -3.762 19.410 1.00 0.00 C ATOM 0 H ALA A 44 64.815 -5.537 20.683 1.00 0.00 H new ATOM 0 HA ALA A 44 65.400 -2.711 21.157 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.327 -2.853 18.854 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.998 -4.124 19.904 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.728 -4.524 18.723 1.00 0.00 H new ATOM 696 N GLU A 45 62.811 -2.477 20.576 1.00 0.00 N ATOM 697 CA GLU A 45 61.571 -1.933 20.035 1.00 0.00 C ATOM 698 C GLU A 45 61.857 -1.048 18.826 1.00 0.00 C ATOM 699 O GLU A 45 62.579 -0.057 18.926 1.00 0.00 O ATOM 700 CB GLU A 45 60.835 -1.132 21.104 1.00 0.00 C ATOM 701 CG GLU A 45 60.742 -1.964 22.376 1.00 0.00 C ATOM 702 CD GLU A 45 59.837 -1.273 23.390 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.102 -1.970 24.070 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.891 -0.057 23.471 1.00 0.00 O ATOM 0 H GLU A 45 62.862 -2.489 21.595 1.00 0.00 H new ATOM 0 HA GLU A 45 60.941 -2.764 19.718 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.361 -0.199 21.303 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.837 -0.867 20.755 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.351 -2.955 22.144 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.736 -2.105 22.801 1.00 0.00 H new ATOM 711 N ALA A 46 61.285 -1.415 17.683 1.00 0.00 N ATOM 712 CA ALA A 46 61.486 -0.647 16.459 1.00 0.00 C ATOM 713 C ALA A 46 60.926 0.764 16.614 1.00 0.00 C ATOM 714 O ALA A 46 61.134 1.622 15.757 1.00 0.00 O ATOM 715 CB ALA A 46 60.797 -1.345 15.286 1.00 0.00 C ATOM 0 H ALA A 46 60.684 -2.232 17.579 1.00 0.00 H new ATOM 0 HA ALA A 46 62.557 -0.582 16.265 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.952 -0.765 14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.219 -2.342 15.157 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.729 -1.426 15.487 1.00 0.00 H new ATOM 721 N ASN A 47 60.215 0.995 17.713 1.00 0.00 N ATOM 722 CA ASN A 47 59.630 2.306 17.970 1.00 0.00 C ATOM 723 C ASN A 47 60.485 3.089 18.961 1.00 0.00 C ATOM 724 O ASN A 47 59.985 3.956 19.678 1.00 0.00 O ATOM 725 CB ASN A 47 58.215 2.145 18.530 1.00 0.00 C ATOM 726 CG ASN A 47 58.274 1.543 19.930 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.359 1.290 20.453 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.164 1.296 20.571 1.00 0.00 N ATOM 0 H ASN A 47 60.031 0.298 18.434 1.00 0.00 H new ATOM 0 HA ASN A 47 59.589 2.856 17.030 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.715 3.113 18.562 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.626 1.504 17.874 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.195 0.893 21.507 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.266 1.507 20.136 1.00 0.00 H new ATOM 735 N SER A 48 61.777 2.778 18.995 1.00 0.00 N ATOM 736 CA SER A 48 62.693 3.460 19.902 1.00 0.00 C ATOM 737 C SER A 48 64.065 3.621 19.255 1.00 0.00 C ATOM 738 O SER A 48 64.680 2.643 18.830 1.00 0.00 O ATOM 739 CB SER A 48 62.829 2.666 21.201 1.00 0.00 C ATOM 740 OG SER A 48 64.127 2.872 21.744 1.00 0.00 O ATOM 0 H SER A 48 62.211 2.064 18.410 1.00 0.00 H new ATOM 0 HA SER A 48 62.289 4.448 20.122 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.069 2.982 21.915 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.666 1.605 21.011 1.00 0.00 H new ATOM 0 HG SER A 48 64.448 2.039 22.149 1.00 0.00 H new ATOM 746 N VAL A 49 64.539 4.860 19.185 1.00 0.00 N ATOM 747 CA VAL A 49 65.841 5.137 18.588 1.00 0.00 C ATOM 748 C VAL A 49 66.954 4.480 19.398 1.00 0.00 C ATOM 749 O VAL A 49 67.953 4.024 18.842 1.00 0.00 O ATOM 750 CB VAL A 49 66.076 6.647 18.525 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.026 7.290 17.617 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.963 7.238 19.932 1.00 0.00 C ATOM 0 H VAL A 49 64.046 5.683 19.531 1.00 0.00 H new ATOM 0 HA VAL A 49 65.851 4.725 17.579 1.00 0.00 H new ATOM 0 HB VAL A 49 67.071 6.844 18.125 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.194 8.366 17.572 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.104 6.869 16.615 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.031 7.094 18.016 1.00 0.00 H new ATOM 0 HG21 VAL A 49 66.130 8.314 19.889 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.968 7.041 20.331 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.710 6.780 20.580 1.00 0.00 H new ATOM 762 N ILE A 50 66.774 4.437 20.714 1.00 0.00 N ATOM 763 CA ILE A 50 67.771 3.833 21.591 1.00 0.00 C ATOM 764 C ILE A 50 67.946 2.353 21.266 1.00 0.00 C ATOM 765 O ILE A 50 69.054 1.820 21.331 1.00 0.00 O ATOM 766 CB ILE A 50 67.344 3.989 23.052 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.398 5.468 23.443 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.291 3.190 23.949 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.630 5.679 24.749 1.00 0.00 C ATOM 0 H ILE A 50 65.955 4.810 21.194 1.00 0.00 H new ATOM 0 HA ILE A 50 68.722 4.342 21.433 1.00 0.00 H new ATOM 0 HB ILE A 50 66.327 3.617 23.175 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.434 5.786 23.562 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.966 6.080 22.652 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.987 3.301 24.990 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.254 2.137 23.671 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.308 3.562 23.827 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.668 6.732 25.028 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.591 5.377 24.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 67.082 5.078 25.538 1.00 0.00 H new ATOM 781 N ALA A 51 66.846 1.695 20.914 1.00 0.00 N ATOM 782 CA ALA A 51 66.890 0.276 20.580 1.00 0.00 C ATOM 783 C ALA A 51 67.696 0.051 19.305 1.00 0.00 C ATOM 784 O ALA A 51 68.492 -0.883 19.219 1.00 0.00 O ATOM 785 CB ALA A 51 65.470 -0.260 20.391 1.00 0.00 C ATOM 0 H ALA A 51 65.920 2.118 20.853 1.00 0.00 H new ATOM 0 HA ALA A 51 67.372 -0.257 21.399 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.511 -1.320 20.142 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.905 -0.126 21.313 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.980 0.284 19.583 1.00 0.00 H new ATOM 791 N LEU A 52 67.482 0.913 18.316 1.00 0.00 N ATOM 792 CA LEU A 52 68.194 0.799 17.048 1.00 0.00 C ATOM 793 C LEU A 52 69.701 0.870 17.272 1.00 0.00 C ATOM 794 O LEU A 52 70.469 0.163 16.620 1.00 0.00 O ATOM 795 CB LEU A 52 67.762 1.922 16.103 1.00 0.00 C ATOM 796 CG LEU A 52 68.474 1.760 14.759 1.00 0.00 C ATOM 797 CD1 LEU A 52 68.184 0.370 14.191 1.00 0.00 C ATOM 798 CD2 LEU A 52 67.966 2.824 13.784 1.00 0.00 C ATOM 0 H LEU A 52 66.826 1.693 18.367 1.00 0.00 H new ATOM 0 HA LEU A 52 67.950 -0.165 16.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.682 1.896 15.960 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.002 2.892 16.539 1.00 0.00 H new ATOM 0 HG LEU A 52 69.548 1.877 14.900 1.00 0.00 H new ATOM 0 HD11 LEU A 52 68.692 0.255 13.233 1.00 0.00 H new ATOM 0 HD12 LEU A 52 68.544 -0.389 14.886 1.00 0.00 H new ATOM 0 HD13 LEU A 52 67.110 0.252 14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 52 68.472 2.710 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.892 2.705 13.643 1.00 0.00 H new ATOM 0 HD23 LEU A 52 68.172 3.815 14.188 1.00 0.00 H new ATOM 810 N LEU A 53 70.117 1.729 18.197 1.00 0.00 N ATOM 811 CA LEU A 53 71.536 1.884 18.497 1.00 0.00 C ATOM 812 C LEU A 53 72.099 0.601 19.099 1.00 0.00 C ATOM 813 O LEU A 53 73.240 0.226 18.828 1.00 0.00 O ATOM 814 CB LEU A 53 71.738 3.042 19.477 1.00 0.00 C ATOM 815 CG LEU A 53 72.099 4.310 18.702 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.058 5.514 19.645 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.506 4.168 18.119 1.00 0.00 C ATOM 0 H LEU A 53 69.498 2.324 18.748 1.00 0.00 H new ATOM 0 HA LEU A 53 72.064 2.098 17.568 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.829 3.204 20.057 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.530 2.799 20.186 1.00 0.00 H new ATOM 0 HG LEU A 53 71.383 4.457 17.893 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.315 6.418 19.093 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.056 5.616 20.061 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.774 5.367 20.454 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.764 5.072 17.566 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.222 4.021 18.928 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.536 3.311 17.447 1.00 0.00 H new ATOM 829 N MET A 54 71.292 -0.068 19.916 1.00 0.00 N ATOM 830 CA MET A 54 71.721 -1.308 20.551 1.00 0.00 C ATOM 831 C MET A 54 71.889 -2.412 19.511 1.00 0.00 C ATOM 832 O MET A 54 72.806 -3.228 19.601 1.00 0.00 O ATOM 833 CB MET A 54 70.693 -1.743 21.597 1.00 0.00 C ATOM 834 CG MET A 54 70.676 -0.733 22.746 1.00 0.00 C ATOM 835 SD MET A 54 72.173 -0.931 23.745 1.00 0.00 S ATOM 836 CE MET A 54 71.794 0.342 24.975 1.00 0.00 C ATOM 0 H MET A 54 70.344 0.225 20.153 1.00 0.00 H new ATOM 0 HA MET A 54 72.681 -1.132 21.037 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.704 -1.811 21.144 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.940 -2.735 21.974 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.620 0.282 22.352 1.00 0.00 H new ATOM 0 HG3 MET A 54 69.791 -0.884 23.364 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.601 0.394 25.706 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.691 1.307 24.480 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.862 0.093 25.481 1.00 0.00 H new ATOM 846 N LEU A 55 70.998 -2.429 18.525 1.00 0.00 N ATOM 847 CA LEU A 55 71.058 -3.437 17.473 1.00 0.00 C ATOM 848 C LEU A 55 72.357 -3.312 16.684 1.00 0.00 C ATOM 849 O LEU A 55 72.919 -4.309 16.232 1.00 0.00 O ATOM 850 CB LEU A 55 69.867 -3.276 16.527 1.00 0.00 C ATOM 851 CG LEU A 55 68.573 -3.598 17.276 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.373 -3.297 16.376 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.562 -5.080 17.658 1.00 0.00 C ATOM 0 H LEU A 55 70.232 -1.762 18.432 1.00 0.00 H new ATOM 0 HA LEU A 55 71.022 -4.422 17.938 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.832 -2.258 16.140 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.978 -3.940 15.669 1.00 0.00 H new ATOM 0 HG LEU A 55 68.514 -2.988 18.177 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.451 -3.527 16.910 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.380 -2.242 16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.432 -3.907 15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.640 -5.311 18.192 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.621 -5.689 16.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.417 -5.297 18.299 1.00 0.00 H new ATOM 865 N ASP A 56 72.829 -2.080 16.522 1.00 0.00 N ATOM 866 CA ASP A 56 74.063 -1.835 15.786 1.00 0.00 C ATOM 867 C ASP A 56 75.204 -2.671 16.359 1.00 0.00 C ATOM 868 O ASP A 56 76.085 -3.121 15.626 1.00 0.00 O ATOM 869 CB ASP A 56 74.429 -0.351 15.858 1.00 0.00 C ATOM 870 CG ASP A 56 73.509 0.457 14.950 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.787 -0.152 14.178 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.539 1.673 15.041 1.00 0.00 O ATOM 0 H ASP A 56 72.379 -1.241 16.888 1.00 0.00 H new ATOM 0 HA ASP A 56 73.906 -2.120 14.746 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.343 0.004 16.885 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.467 -0.209 15.557 1.00 0.00 H new ATOM 877 N SER A 57 75.180 -2.874 17.672 1.00 0.00 N ATOM 878 CA SER A 57 76.217 -3.658 18.332 1.00 0.00 C ATOM 879 C SER A 57 75.986 -5.149 18.110 1.00 0.00 C ATOM 880 O SER A 57 76.816 -5.978 18.483 1.00 0.00 O ATOM 881 CB SER A 57 76.222 -3.359 19.832 1.00 0.00 C ATOM 882 OG SER A 57 75.033 -3.873 20.417 1.00 0.00 O ATOM 0 H SER A 57 74.460 -2.510 18.296 1.00 0.00 H new ATOM 0 HA SER A 57 77.181 -3.384 17.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.096 -3.810 20.301 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.289 -2.284 20.000 1.00 0.00 H new ATOM 0 HG SER A 57 74.292 -3.254 20.250 1.00 0.00 H new ATOM 888 N ALA A 58 74.853 -5.483 17.499 1.00 0.00 N ATOM 889 CA ALA A 58 74.524 -6.878 17.232 1.00 0.00 C ATOM 890 C ALA A 58 75.207 -7.354 15.954 1.00 0.00 C ATOM 891 O ALA A 58 74.700 -8.235 15.260 1.00 0.00 O ATOM 892 CB ALA A 58 73.009 -7.039 17.094 1.00 0.00 C ATOM 0 H ALA A 58 74.153 -4.812 17.182 1.00 0.00 H new ATOM 0 HA ALA A 58 74.879 -7.482 18.067 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.771 -8.084 16.895 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.524 -6.726 18.019 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.651 -6.422 16.270 1.00 0.00 H new ATOM 898 N LYS A 59 76.359 -6.766 15.651 1.00 0.00 N ATOM 899 CA LYS A 59 77.104 -7.139 14.454 1.00 0.00 C ATOM 900 C LYS A 59 77.682 -8.543 14.597 1.00 0.00 C ATOM 901 O LYS A 59 78.741 -8.730 15.197 1.00 0.00 O ATOM 902 CB LYS A 59 78.237 -6.141 14.211 1.00 0.00 C ATOM 903 CG LYS A 59 77.690 -4.914 13.479 1.00 0.00 C ATOM 904 CD LYS A 59 78.680 -3.755 13.612 1.00 0.00 C ATOM 905 CE LYS A 59 79.985 -4.114 12.900 1.00 0.00 C ATOM 906 NZ LYS A 59 80.851 -2.904 12.810 1.00 0.00 N ATOM 0 H LYS A 59 76.795 -6.035 16.213 1.00 0.00 H new ATOM 0 HA LYS A 59 76.420 -7.125 13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 59 78.682 -5.843 15.160 1.00 0.00 H new ATOM 0 HB3 LYS A 59 79.026 -6.607 13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.527 -5.148 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.724 -4.630 13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.255 -2.849 13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.873 -3.547 14.664 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.502 -4.905 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.774 -4.498 11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.739 -3.148 12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.357 -2.162 12.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.063 -2.557 13.767 1.00 0.00 H new ATOM 920 N GLY A 60 76.981 -9.527 14.043 1.00 0.00 N ATOM 921 CA GLY A 60 77.435 -10.910 14.116 1.00 0.00 C ATOM 922 C GLY A 60 76.599 -11.707 15.112 1.00 0.00 C ATOM 923 O GLY A 60 76.883 -12.873 15.383 1.00 0.00 O ATOM 0 H GLY A 60 76.103 -9.394 13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.370 -11.371 13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.484 -10.937 14.412 1.00 0.00 H new ATOM 927 N ARG A 61 75.566 -11.070 15.653 1.00 0.00 N ATOM 928 CA ARG A 61 74.694 -11.730 16.618 1.00 0.00 C ATOM 929 C ARG A 61 73.352 -12.074 15.981 1.00 0.00 C ATOM 930 O ARG A 61 73.013 -11.566 14.912 1.00 0.00 O ATOM 931 CB ARG A 61 74.469 -10.819 17.827 1.00 0.00 C ATOM 932 CG ARG A 61 75.820 -10.348 18.370 1.00 0.00 C ATOM 933 CD ARG A 61 75.644 -9.834 19.800 1.00 0.00 C ATOM 934 NE ARG A 61 75.439 -10.951 20.715 1.00 0.00 N ATOM 935 CZ ARG A 61 75.625 -10.810 22.024 1.00 0.00 C ATOM 936 NH1 ARG A 61 75.435 -11.824 22.823 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.999 -9.657 22.509 1.00 0.00 N ATOM 0 H ARG A 61 75.313 -10.105 15.442 1.00 0.00 H new ATOM 0 HA ARG A 61 75.176 -12.652 16.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.861 -9.961 17.541 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.920 -11.354 18.602 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.537 -11.169 18.353 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.224 -9.559 17.736 1.00 0.00 H new ATOM 0 HD2 ARG A 61 76.524 -9.265 20.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.793 -9.154 19.848 1.00 0.00 H new ATOM 0 HE ARG A 61 75.148 -11.856 20.345 1.00 0.00 H new ATOM 0 HH11 ARG A 61 75.144 -12.725 22.443 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.578 -11.716 23.827 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.148 -8.865 21.884 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.142 -9.548 23.513 1.00 0.00 H new ATOM 951 N GLN A 62 72.593 -12.941 16.643 1.00 0.00 N ATOM 952 CA GLN A 62 71.290 -13.347 16.131 1.00 0.00 C ATOM 953 C GLN A 62 70.176 -12.560 16.813 1.00 0.00 C ATOM 954 O GLN A 62 70.256 -12.254 18.003 1.00 0.00 O ATOM 955 CB GLN A 62 71.078 -14.844 16.369 1.00 0.00 C ATOM 956 CG GLN A 62 72.038 -15.642 15.485 1.00 0.00 C ATOM 957 CD GLN A 62 71.996 -17.117 15.869 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.682 -17.454 17.010 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.295 -18.023 14.978 1.00 0.00 N ATOM 0 H GLN A 62 72.855 -13.373 17.529 1.00 0.00 H new ATOM 0 HA GLN A 62 71.262 -13.141 15.061 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.249 -15.084 17.418 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.047 -15.117 16.143 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.764 -15.523 14.437 1.00 0.00 H new ATOM 0 HG3 GLN A 62 73.052 -15.258 15.596 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.555 -17.742 14.033 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.268 -19.012 15.227 1.00 0.00 H new ATOM 968 N ILE A 63 69.136 -12.234 16.051 1.00 0.00 N ATOM 969 CA ILE A 63 68.010 -11.482 16.592 1.00 0.00 C ATOM 970 C ILE A 63 66.691 -12.154 16.225 1.00 0.00 C ATOM 971 O ILE A 63 66.642 -13.000 15.332 1.00 0.00 O ATOM 972 CB ILE A 63 68.026 -10.053 16.047 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.806 -10.084 14.532 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.377 -9.405 16.351 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.820 -8.656 13.984 1.00 0.00 C ATOM 0 H ILE A 63 69.050 -12.477 15.064 1.00 0.00 H new ATOM 0 HA ILE A 63 68.102 -11.457 17.678 1.00 0.00 H new ATOM 0 HB ILE A 63 67.232 -9.475 16.520 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.586 -10.676 14.053 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.855 -10.564 14.302 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.388 -8.387 15.962 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.536 -9.384 17.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.172 -9.982 15.879 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.663 -8.679 12.906 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.024 -8.078 14.454 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.782 -8.192 14.201 1.00 0.00 H new ATOM 987 N GLU A 64 65.624 -11.772 16.919 1.00 0.00 N ATOM 988 CA GLU A 64 64.309 -12.346 16.657 1.00 0.00 C ATOM 989 C GLU A 64 63.295 -11.246 16.360 1.00 0.00 C ATOM 990 O GLU A 64 62.800 -10.582 17.271 1.00 0.00 O ATOM 991 CB GLU A 64 63.844 -13.159 17.866 1.00 0.00 C ATOM 992 CG GLU A 64 65.044 -13.867 18.498 1.00 0.00 C ATOM 993 CD GLU A 64 64.569 -14.841 19.571 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.666 -14.484 20.309 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.115 -15.930 19.638 1.00 0.00 O ATOM 0 H GLU A 64 65.643 -11.073 17.662 1.00 0.00 H new ATOM 0 HA GLU A 64 64.384 -13.000 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.369 -12.504 18.596 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.097 -13.891 17.560 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.606 -14.402 17.732 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.721 -13.133 18.935 1.00 0.00 H new ATOM 1002 N VAL A 65 62.989 -11.060 15.080 1.00 0.00 N ATOM 1003 CA VAL A 65 62.032 -10.037 14.674 1.00 0.00 C ATOM 1004 C VAL A 65 60.603 -10.545 14.839 1.00 0.00 C ATOM 1005 O VAL A 65 60.248 -11.606 14.326 1.00 0.00 O ATOM 1006 CB VAL A 65 62.272 -9.648 13.215 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.408 -8.436 12.861 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.748 -9.295 13.018 1.00 0.00 C ATOM 0 H VAL A 65 63.386 -11.600 14.311 1.00 0.00 H new ATOM 0 HA VAL A 65 62.170 -9.163 15.310 1.00 0.00 H new ATOM 0 HB VAL A 65 62.008 -10.485 12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.579 -8.159 11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.356 -8.685 13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.672 -7.599 13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.920 -9.018 11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 65 64.012 -8.458 13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.365 -10.157 13.270 1.00 0.00 H new ATOM 1018 N GLU A 66 59.788 -9.779 15.557 1.00 0.00 N ATOM 1019 CA GLU A 66 58.399 -10.161 15.783 1.00 0.00 C ATOM 1020 C GLU A 66 57.454 -9.109 15.211 1.00 0.00 C ATOM 1021 O GLU A 66 57.693 -7.908 15.345 1.00 0.00 O ATOM 1022 CB GLU A 66 58.138 -10.323 17.282 1.00 0.00 C ATOM 1023 CG GLU A 66 56.657 -10.625 17.514 1.00 0.00 C ATOM 1024 CD GLU A 66 56.434 -11.064 18.957 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.404 -11.125 19.693 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.295 -11.333 19.304 1.00 0.00 O ATOM 0 H GLU A 66 60.062 -8.897 15.989 1.00 0.00 H new ATOM 0 HA GLU A 66 58.217 -11.110 15.278 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.751 -11.130 17.683 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.422 -9.413 17.811 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.059 -9.740 17.298 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.326 -11.408 16.832 1.00 0.00 H new ATOM 1033 N ALA A 67 56.382 -9.566 14.573 1.00 0.00 N ATOM 1034 CA ALA A 67 55.408 -8.654 13.984 1.00 0.00 C ATOM 1035 C ALA A 67 53.987 -9.129 14.271 1.00 0.00 C ATOM 1036 O ALA A 67 53.660 -10.298 14.067 1.00 0.00 O ATOM 1037 CB ALA A 67 55.623 -8.565 12.473 1.00 0.00 C ATOM 0 H ALA A 67 56.166 -10.555 14.451 1.00 0.00 H new ATOM 0 HA ALA A 67 55.546 -7.668 14.429 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.892 -7.882 12.041 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.628 -8.196 12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.503 -9.553 12.030 1.00 0.00 H new ATOM 1043 N THR A 68 53.147 -8.214 14.744 1.00 0.00 N ATOM 1044 CA THR A 68 51.762 -8.551 15.055 1.00 0.00 C ATOM 1045 C THR A 68 50.806 -7.641 14.290 1.00 0.00 C ATOM 1046 O THR A 68 50.946 -6.419 14.310 1.00 0.00 O ATOM 1047 CB THR A 68 51.514 -8.408 16.558 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.451 -9.206 17.268 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.094 -8.867 16.889 1.00 0.00 C ATOM 0 H THR A 68 53.398 -7.241 14.919 1.00 0.00 H new ATOM 0 HA THR A 68 51.582 -9.583 14.755 1.00 0.00 H new ATOM 0 HB THR A 68 51.631 -7.364 16.849 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.518 -8.887 18.192 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.919 -8.765 17.960 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.377 -8.253 16.344 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.972 -9.911 16.600 1.00 0.00 H new ATOM 1057 N GLY A 69 49.833 -8.247 13.617 1.00 0.00 N ATOM 1058 CA GLY A 69 48.858 -7.482 12.849 1.00 0.00 C ATOM 1059 C GLY A 69 48.511 -8.193 11.546 1.00 0.00 C ATOM 1060 O GLY A 69 49.240 -9.077 11.094 1.00 0.00 O ATOM 0 H GLY A 69 49.699 -9.258 13.588 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.954 -7.339 13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.257 -6.491 12.632 1.00 0.00 H new ATOM 1064 N PRO A 70 47.416 -7.822 10.942 1.00 0.00 N ATOM 1065 CA PRO A 70 46.953 -8.431 9.661 1.00 0.00 C ATOM 1066 C PRO A 70 48.073 -8.515 8.628 1.00 0.00 C ATOM 1067 O PRO A 70 48.249 -9.541 7.971 1.00 0.00 O ATOM 1068 CB PRO A 70 45.845 -7.487 9.191 1.00 0.00 C ATOM 1069 CG PRO A 70 45.332 -6.826 10.428 1.00 0.00 C ATOM 1070 CD PRO A 70 46.496 -6.778 11.418 1.00 0.00 C ATOM 0 HA PRO A 70 46.614 -9.458 9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.230 -6.752 8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.052 -8.035 8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.970 -5.822 10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.493 -7.383 10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.974 -5.798 11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.161 -6.976 12.436 1.00 0.00 H new ATOM 1078 N GLN A 71 48.826 -7.429 8.489 1.00 0.00 N ATOM 1079 CA GLN A 71 49.926 -7.391 7.532 1.00 0.00 C ATOM 1080 C GLN A 71 51.239 -7.768 8.211 1.00 0.00 C ATOM 1081 O GLN A 71 52.309 -7.675 7.609 1.00 0.00 O ATOM 1082 CB GLN A 71 50.045 -5.991 6.928 1.00 0.00 C ATOM 1083 CG GLN A 71 48.804 -5.692 6.085 1.00 0.00 C ATOM 1084 CD GLN A 71 48.870 -4.266 5.547 1.00 0.00 C ATOM 1085 OE1 GLN A 71 49.921 -3.827 5.079 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.805 -3.513 5.586 1.00 0.00 N ATOM 0 H GLN A 71 48.696 -6.569 9.022 1.00 0.00 H new ATOM 0 HA GLN A 71 49.719 -8.111 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.147 -5.249 7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.941 -5.924 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.737 -6.399 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.905 -5.821 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 71 46.936 -3.879 5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 71 47.842 -2.558 5.228 1.00 0.00 H new ATOM 1095 N GLU A 72 51.150 -8.192 9.467 1.00 0.00 N ATOM 1096 CA GLU A 72 52.339 -8.580 10.218 1.00 0.00 C ATOM 1097 C GLU A 72 53.325 -9.316 9.316 1.00 0.00 C ATOM 1098 O GLU A 72 54.539 -9.171 9.459 1.00 0.00 O ATOM 1099 CB GLU A 72 51.945 -9.481 11.390 1.00 0.00 C ATOM 1100 CG GLU A 72 51.472 -10.835 10.858 1.00 0.00 C ATOM 1101 CD GLU A 72 50.764 -11.611 11.963 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.662 -11.084 13.058 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.335 -12.722 11.698 1.00 0.00 O ATOM 0 H GLU A 72 50.274 -8.276 9.983 1.00 0.00 H new ATOM 0 HA GLU A 72 52.817 -7.677 10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.795 -9.618 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.153 -9.011 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.796 -10.688 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.323 -11.407 10.488 1.00 0.00 H new ATOM 1110 N GLU A 73 52.794 -10.106 8.388 1.00 0.00 N ATOM 1111 CA GLU A 73 53.638 -10.860 7.468 1.00 0.00 C ATOM 1112 C GLU A 73 54.426 -9.914 6.568 1.00 0.00 C ATOM 1113 O GLU A 73 55.640 -10.052 6.417 1.00 0.00 O ATOM 1114 CB GLU A 73 52.776 -11.787 6.609 1.00 0.00 C ATOM 1115 CG GLU A 73 52.147 -12.864 7.494 1.00 0.00 C ATOM 1116 CD GLU A 73 53.225 -13.811 8.010 1.00 0.00 C ATOM 1117 OE1 GLU A 73 54.340 -13.730 7.521 1.00 0.00 O ATOM 1118 OE2 GLU A 73 52.921 -14.602 8.887 1.00 0.00 O ATOM 0 H GLU A 73 51.792 -10.240 8.254 1.00 0.00 H new ATOM 0 HA GLU A 73 54.339 -11.456 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.997 -11.214 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.384 -12.250 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 73 51.628 -12.400 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.402 -13.422 6.927 1.00 0.00 H new ATOM 1125 N GLU A 74 53.727 -8.953 5.971 1.00 0.00 N ATOM 1126 CA GLU A 74 54.373 -7.989 5.088 1.00 0.00 C ATOM 1127 C GLU A 74 55.486 -7.251 5.825 1.00 0.00 C ATOM 1128 O GLU A 74 56.623 -7.194 5.357 1.00 0.00 O ATOM 1129 CB GLU A 74 53.344 -6.981 4.572 1.00 0.00 C ATOM 1130 CG GLU A 74 53.971 -6.135 3.462 1.00 0.00 C ATOM 1131 CD GLU A 74 52.889 -5.342 2.737 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.734 -5.481 3.105 1.00 0.00 O ATOM 1133 OE2 GLU A 74 53.231 -4.607 1.825 1.00 0.00 O ATOM 0 H GLU A 74 52.722 -8.822 6.081 1.00 0.00 H new ATOM 0 HA GLU A 74 54.806 -8.529 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.465 -7.503 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.007 -6.340 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 54.710 -5.455 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.497 -6.778 2.756 1.00 0.00 H new ATOM 1140 N ALA A 75 55.150 -6.688 6.982 1.00 0.00 N ATOM 1141 CA ALA A 75 56.131 -5.957 7.776 1.00 0.00 C ATOM 1142 C ALA A 75 57.350 -6.829 8.053 1.00 0.00 C ATOM 1143 O ALA A 75 58.488 -6.408 7.841 1.00 0.00 O ATOM 1144 CB ALA A 75 55.505 -5.514 9.100 1.00 0.00 C ATOM 0 H ALA A 75 54.215 -6.723 7.387 1.00 0.00 H new ATOM 0 HA ALA A 75 56.447 -5.079 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.244 -4.969 9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.651 -4.867 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.174 -6.390 9.657 1.00 0.00 H new ATOM 1150 N LEU A 76 57.106 -8.046 8.528 1.00 0.00 N ATOM 1151 CA LEU A 76 58.192 -8.970 8.830 1.00 0.00 C ATOM 1152 C LEU A 76 58.947 -9.340 7.557 1.00 0.00 C ATOM 1153 O LEU A 76 60.178 -9.358 7.537 1.00 0.00 O ATOM 1154 CB LEU A 76 57.636 -10.237 9.482 1.00 0.00 C ATOM 1155 CG LEU A 76 58.789 -11.169 9.855 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.702 -10.472 10.866 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.228 -12.450 10.476 1.00 0.00 C ATOM 0 H LEU A 76 56.172 -8.413 8.711 1.00 0.00 H new ATOM 0 HA LEU A 76 58.880 -8.480 9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.061 -9.978 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 76 56.954 -10.741 8.797 1.00 0.00 H new ATOM 0 HG LEU A 76 59.359 -11.417 8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.524 -11.136 11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 76 60.102 -9.558 10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 76 59.131 -10.224 11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.049 -13.115 10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.658 -12.201 11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 76 57.576 -12.948 9.758 1.00 0.00 H new ATOM 1169 N ALA A 77 58.202 -9.633 6.497 1.00 0.00 N ATOM 1170 CA ALA A 77 58.812 -10.000 5.224 1.00 0.00 C ATOM 1171 C ALA A 77 59.649 -8.846 4.682 1.00 0.00 C ATOM 1172 O ALA A 77 60.756 -9.051 4.182 1.00 0.00 O ATOM 1173 CB ALA A 77 57.727 -10.366 4.210 1.00 0.00 C ATOM 0 H ALA A 77 57.182 -9.624 6.493 1.00 0.00 H new ATOM 0 HA ALA A 77 59.460 -10.861 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.192 -10.639 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.147 -11.209 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.068 -9.511 4.058 1.00 0.00 H new ATOM 1179 N ALA A 78 59.115 -7.634 4.786 1.00 0.00 N ATOM 1180 CA ALA A 78 59.823 -6.454 4.304 1.00 0.00 C ATOM 1181 C ALA A 78 61.141 -6.281 5.051 1.00 0.00 C ATOM 1182 O ALA A 78 62.176 -6.003 4.446 1.00 0.00 O ATOM 1183 CB ALA A 78 58.956 -5.209 4.498 1.00 0.00 C ATOM 0 H ALA A 78 58.201 -7.443 5.197 1.00 0.00 H new ATOM 0 HA ALA A 78 60.034 -6.586 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.492 -4.332 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.027 -5.322 3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.730 -5.084 5.557 1.00 0.00 H new ATOM 1189 N VAL A 79 61.095 -6.448 6.369 1.00 0.00 N ATOM 1190 CA VAL A 79 62.292 -6.309 7.189 1.00 0.00 C ATOM 1191 C VAL A 79 63.294 -7.412 6.861 1.00 0.00 C ATOM 1192 O VAL A 79 64.492 -7.159 6.739 1.00 0.00 O ATOM 1193 CB VAL A 79 61.921 -6.378 8.671 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.176 -6.173 9.521 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.904 -5.281 8.992 1.00 0.00 C ATOM 0 H VAL A 79 60.248 -6.678 6.889 1.00 0.00 H new ATOM 0 HA VAL A 79 62.748 -5.342 6.975 1.00 0.00 H new ATOM 0 HB VAL A 79 61.487 -7.353 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.912 -6.222 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.902 -6.953 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.610 -5.198 9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.638 -5.329 10.048 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.338 -4.306 8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.010 -5.425 8.386 1.00 0.00 H new ATOM 1205 N ILE A 80 62.794 -8.635 6.718 1.00 0.00 N ATOM 1206 CA ILE A 80 63.655 -9.769 6.402 1.00 0.00 C ATOM 1207 C ILE A 80 64.293 -9.587 5.029 1.00 0.00 C ATOM 1208 O ILE A 80 65.476 -9.873 4.841 1.00 0.00 O ATOM 1209 CB ILE A 80 62.841 -11.064 6.422 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.541 -11.454 7.871 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.642 -12.181 5.750 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.586 -12.648 7.892 1.00 0.00 C ATOM 0 H ILE A 80 61.805 -8.865 6.815 1.00 0.00 H new ATOM 0 HA ILE A 80 64.443 -9.825 7.153 1.00 0.00 H new ATOM 0 HB ILE A 80 61.905 -10.913 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.466 -11.706 8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.098 -10.611 8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.062 -13.104 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.858 -11.904 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.578 -12.332 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.373 -12.925 8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.657 -12.380 7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 80 62.047 -13.491 7.378 1.00 0.00 H new ATOM 1224 N ALA A 81 63.503 -9.109 4.073 1.00 0.00 N ATOM 1225 CA ALA A 81 64.003 -8.891 2.721 1.00 0.00 C ATOM 1226 C ALA A 81 65.110 -7.842 2.724 1.00 0.00 C ATOM 1227 O ALA A 81 66.079 -7.945 1.973 1.00 0.00 O ATOM 1228 CB ALA A 81 62.864 -8.432 1.810 1.00 0.00 C ATOM 0 H ALA A 81 62.521 -8.867 4.208 1.00 0.00 H new ATOM 0 HA ALA A 81 64.409 -9.831 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.246 -8.271 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.087 -9.196 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.445 -7.501 2.192 1.00 0.00 H new ATOM 1234 N LEU A 82 64.958 -6.833 3.576 1.00 0.00 N ATOM 1235 CA LEU A 82 65.951 -5.769 3.671 1.00 0.00 C ATOM 1236 C LEU A 82 67.213 -6.278 4.359 1.00 0.00 C ATOM 1237 O LEU A 82 68.328 -5.938 3.963 1.00 0.00 O ATOM 1238 CB LEU A 82 65.378 -4.589 4.458 1.00 0.00 C ATOM 1239 CG LEU A 82 64.340 -3.861 3.603 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.522 -2.917 4.485 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.052 -3.052 2.516 1.00 0.00 C ATOM 0 H LEU A 82 64.163 -6.730 4.206 1.00 0.00 H new ATOM 0 HA LEU A 82 66.206 -5.442 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.920 -4.942 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.177 -3.904 4.740 1.00 0.00 H new ATOM 0 HG LEU A 82 63.676 -4.591 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.782 -2.398 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.015 -3.491 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.185 -2.187 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.313 -2.533 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 82 65.716 -2.323 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 82 65.635 -3.724 1.886 1.00 0.00 H new ATOM 1253 N PHE A 83 67.029 -7.096 5.391 1.00 0.00 N ATOM 1254 CA PHE A 83 68.161 -7.648 6.126 1.00 0.00 C ATOM 1255 C PHE A 83 68.941 -8.625 5.253 1.00 0.00 C ATOM 1256 O PHE A 83 70.156 -8.765 5.393 1.00 0.00 O ATOM 1257 CB PHE A 83 67.666 -8.367 7.383 1.00 0.00 C ATOM 1258 CG PHE A 83 67.117 -7.354 8.359 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.892 -6.035 7.948 1.00 0.00 C ATOM 1260 CD2 PHE A 83 66.832 -7.735 9.676 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.383 -5.096 8.853 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.323 -6.796 10.582 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.098 -5.477 10.170 1.00 0.00 C ATOM 0 H PHE A 83 66.115 -7.389 5.735 1.00 0.00 H new ATOM 0 HA PHE A 83 68.820 -6.828 6.412 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.894 -9.091 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.483 -8.924 7.842 1.00 0.00 H new ATOM 0 HD1 PHE A 83 67.111 -5.742 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 83 67.005 -8.753 9.993 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.210 -4.078 8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 83 66.104 -7.089 11.598 1.00 0.00 H new ATOM 0 HZ PHE A 83 65.704 -4.753 10.868 1.00 0.00 H new ATOM 1273 N ASN A 84 68.233 -9.299 4.352 1.00 0.00 N ATOM 1274 CA ASN A 84 68.869 -10.261 3.460 1.00 0.00 C ATOM 1275 C ASN A 84 69.483 -9.552 2.257 1.00 0.00 C ATOM 1276 O ASN A 84 70.126 -10.180 1.416 1.00 0.00 O ATOM 1277 CB ASN A 84 67.840 -11.287 2.979 1.00 0.00 C ATOM 1278 CG ASN A 84 68.550 -12.512 2.414 1.00 0.00 C ATOM 1279 OD1 ASN A 84 69.693 -12.417 1.967 1.00 0.00 O ATOM 1280 ND2 ASN A 84 67.938 -13.664 2.408 1.00 0.00 N ATOM 0 H ASN A 84 67.227 -9.198 4.221 1.00 0.00 H new ATOM 0 HA ASN A 84 69.660 -10.770 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 84 67.193 -11.580 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 84 67.201 -10.843 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 84 68.407 -14.488 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 84 66.991 -13.740 2.779 1.00 0.00 H new ATOM 1287 N SER A 85 69.280 -8.241 2.183 1.00 0.00 N ATOM 1288 CA SER A 85 69.819 -7.456 1.078 1.00 0.00 C ATOM 1289 C SER A 85 69.017 -7.702 -0.195 1.00 0.00 C ATOM 1290 O SER A 85 69.550 -7.456 -1.265 1.00 0.00 O ATOM 1291 CB SER A 85 71.283 -7.826 0.841 1.00 0.00 C ATOM 1292 OG SER A 85 71.347 -8.967 -0.004 1.00 0.00 O ATOM 1293 OXT SER A 85 67.881 -8.134 -0.082 1.00 0.00 O ATOM 0 H SER A 85 68.751 -7.703 2.869 1.00 0.00 H new ATOM 0 HA SER A 85 69.749 -6.400 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 85 71.812 -6.990 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 85 71.776 -8.034 1.791 1.00 0.00 H new ATOM 0 HG SER A 85 70.816 -9.693 0.385 1.00 0.00 H new TER 1299 SER A 85