USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 74 GLN : amide:sc= 0.767 K(o=1.6,f=-0.49) USER MOD Set 1.2: A 76 SER OG : rot -90:sc= 0.79 USER MOD Set 2.1: A 17 CYS SG : rot -121:sc= 2.16 USER MOD Set 2.2: A 66 TYR OH : rot -38:sc= 0.708 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.228 K(o=-0.49,f=-1) USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.0818 (180deg=-0.709) USER MOD Single : A 2 THR OG1 : rot 108:sc= 1.27 USER MOD Single : A 4 LYS NZ :NH3+ -119:sc=-0.00678 (180deg=-0.762) USER MOD Single : A 12 MET CE :methyl 160:sc=-0.00538 (180deg=-0.742) USER MOD Single : A 13 THR OG1 : rot -40:sc= 1.21 USER MOD Single : A 14 CYS SG : rot 76:sc= -0.525 USER MOD Single : A 19 ASN : amide:sc= 0.614 K(o=0.61,f=-0.066) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.62) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.845 K(o=0.85,f=-0.41) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 48 ASN : amide:sc= -1.97 K(o=-2,f=-9.2!) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.237 (180deg=-0.989) USER MOD Single : A 53 SER OG : rot 180:sc= 0.364 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0.898 (180deg=0.741) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.101) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0322 (180deg=-0.246) USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00184) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0274 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.210 13.770 9.225 1.00 10.00 N ATOM 2 CA VAL A 1 -8.552 12.424 9.692 1.00 10.00 C ATOM 3 C VAL A 1 -7.658 11.471 8.905 1.00 10.00 C ATOM 4 O VAL A 1 -6.454 11.509 9.133 1.00 10.00 O ATOM 5 CB VAL A 1 -10.066 12.160 9.579 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.442 10.822 10.225 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.885 13.254 10.276 1.00 10.00 C ATOM 0 H1 VAL A 1 -8.516 14.470 9.930 1.00 10.00 H new ATOM 0 H2 VAL A 1 -7.181 13.840 9.092 1.00 10.00 H new ATOM 0 H3 VAL A 1 -8.690 13.956 8.321 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.361 12.280 10.756 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.294 12.147 8.513 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.516 10.662 10.131 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.909 10.014 9.724 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.169 10.838 11.280 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.948 13.033 10.175 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.621 13.289 11.333 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -10.670 14.218 9.816 1.00 10.00 H new ATOM 19 N THR A 2 -8.205 10.702 7.964 1.00 10.00 N ATOM 20 CA THR A 2 -7.476 9.772 7.121 1.00 10.00 C ATOM 21 C THR A 2 -7.791 10.076 5.650 1.00 10.00 C ATOM 22 O THR A 2 -8.856 10.616 5.340 1.00 10.00 O ATOM 23 CB THR A 2 -7.900 8.357 7.529 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.310 8.300 7.661 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.266 7.983 8.876 1.00 10.00 C ATOM 0 H THR A 2 -9.205 10.715 7.765 1.00 10.00 H new ATOM 0 HA THR A 2 -6.397 9.865 7.243 1.00 10.00 H new ATOM 0 HB THR A 2 -7.567 7.659 6.761 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.688 7.791 6.914 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.574 6.976 9.156 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.180 8.019 8.790 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.593 8.688 9.640 1.00 10.00 H new ATOM 33 N GLU A 3 -6.860 9.741 4.753 1.00 10.00 N ATOM 34 CA GLU A 3 -6.887 10.063 3.335 1.00 10.00 C ATOM 35 C GLU A 3 -6.624 8.798 2.520 1.00 10.00 C ATOM 36 O GLU A 3 -5.967 7.876 3.002 1.00 10.00 O ATOM 37 CB GLU A 3 -5.852 11.159 3.060 1.00 10.00 C ATOM 38 CG GLU A 3 -6.422 12.525 3.471 1.00 10.00 C ATOM 39 CD GLU A 3 -5.581 13.241 4.520 1.00 10.00 C ATOM 40 OE1 GLU A 3 -5.847 13.012 5.723 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.695 14.014 4.102 1.00 10.00 O ATOM 0 H GLU A 3 -6.028 9.212 5.015 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.866 10.441 3.039 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.936 10.955 3.614 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.589 11.167 2.002 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.502 13.158 2.587 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.432 12.388 3.858 1.00 10.00 H new ATOM 48 N LYS A 4 -7.204 8.748 1.312 1.00 10.00 N ATOM 49 CA LYS A 4 -7.299 7.549 0.489 1.00 10.00 C ATOM 50 C LYS A 4 -6.323 7.653 -0.684 1.00 10.00 C ATOM 51 O LYS A 4 -6.681 8.117 -1.766 1.00 10.00 O ATOM 52 CB LYS A 4 -8.734 7.331 -0.012 1.00 10.00 C ATOM 53 CG LYS A 4 -9.676 6.673 1.008 1.00 10.00 C ATOM 54 CD LYS A 4 -10.268 7.572 2.104 1.00 10.00 C ATOM 55 CE LYS A 4 -11.286 8.598 1.582 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.665 9.896 1.252 1.00 10.00 N ATOM 0 H LYS A 4 -7.629 9.566 0.875 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.032 6.686 1.098 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.153 8.294 -0.305 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.701 6.712 -0.909 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.503 6.220 0.460 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.133 5.862 1.494 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.750 6.945 2.854 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.457 8.101 2.604 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.777 8.198 0.695 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -12.061 8.751 2.334 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.082 10.641 1.846 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.641 9.846 1.428 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.834 10.117 0.250 1.00 10.00 H new ATOM 70 N ALA A 5 -5.100 7.193 -0.446 1.00 10.00 N ATOM 71 CA ALA A 5 -4.006 7.194 -1.401 1.00 10.00 C ATOM 72 C ALA A 5 -4.053 5.935 -2.273 1.00 10.00 C ATOM 73 O ALA A 5 -4.522 4.892 -1.815 1.00 10.00 O ATOM 74 CB ALA A 5 -2.697 7.280 -0.620 1.00 10.00 C ATOM 0 H ALA A 5 -4.836 6.794 0.455 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.088 8.050 -2.071 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.858 7.282 -1.316 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.684 8.198 -0.032 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.614 6.421 0.046 1.00 10.00 H new ATOM 80 N GLU A 6 -3.529 6.017 -3.503 1.00 10.00 N ATOM 81 CA GLU A 6 -3.388 4.895 -4.412 1.00 10.00 C ATOM 82 C GLU A 6 -1.942 4.782 -4.849 1.00 10.00 C ATOM 83 O GLU A 6 -1.252 5.798 -4.953 1.00 10.00 O ATOM 84 CB GLU A 6 -4.235 5.088 -5.662 1.00 10.00 C ATOM 85 CG GLU A 6 -5.691 4.725 -5.394 1.00 10.00 C ATOM 86 CD GLU A 6 -6.475 4.463 -6.676 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.869 4.587 -7.764 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.657 4.088 -6.530 1.00 10.00 O ATOM 0 H GLU A 6 -3.185 6.894 -3.894 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.715 3.998 -3.887 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.170 6.124 -5.994 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.845 4.469 -6.470 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.730 3.839 -4.761 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.167 5.534 -4.840 1.00 10.00 H new ATOM 95 N PHE A 7 -1.526 3.545 -5.122 1.00 10.00 N ATOM 96 CA PHE A 7 -0.145 3.183 -5.398 1.00 10.00 C ATOM 97 C PHE A 7 -0.070 2.138 -6.511 1.00 10.00 C ATOM 98 O PHE A 7 -0.923 1.251 -6.586 1.00 10.00 O ATOM 99 CB PHE A 7 0.546 2.660 -4.130 1.00 10.00 C ATOM 100 CG PHE A 7 0.295 3.444 -2.868 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.943 3.308 -2.228 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.287 4.275 -2.317 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.270 4.164 -1.170 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.003 5.016 -1.158 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.281 4.976 -0.594 1.00 10.00 C ATOM 0 H PHE A 7 -2.162 2.749 -5.157 1.00 10.00 H new ATOM 0 HA PHE A 7 0.377 4.080 -5.731 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.226 1.631 -3.964 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.621 2.635 -4.310 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.640 2.548 -2.548 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.260 4.343 -2.781 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.283 4.200 -0.797 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.774 5.618 -0.700 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.507 5.568 0.280 1.00 10.00 H new ATOM 115 N ASP A 8 0.962 2.250 -7.352 1.00 10.00 N ATOM 116 CA ASP A 8 1.142 1.490 -8.583 1.00 10.00 C ATOM 117 C ASP A 8 2.215 0.417 -8.351 1.00 10.00 C ATOM 118 O ASP A 8 3.240 0.722 -7.732 1.00 10.00 O ATOM 119 CB ASP A 8 1.542 2.495 -9.668 1.00 10.00 C ATOM 120 CG ASP A 8 1.464 1.888 -11.055 1.00 10.00 C ATOM 121 OD1 ASP A 8 2.235 0.938 -11.291 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.637 2.398 -11.842 1.00 10.00 O ATOM 0 H ASP A 8 1.727 2.903 -7.182 1.00 10.00 H new ATOM 0 HA ASP A 8 0.235 0.972 -8.894 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.889 3.366 -9.615 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.557 2.846 -9.482 1.00 10.00 H new ATOM 127 N ILE A 9 1.931 -0.846 -8.704 1.00 10.00 N ATOM 128 CA ILE A 9 2.679 -2.008 -8.237 1.00 10.00 C ATOM 129 C ILE A 9 3.616 -2.540 -9.325 1.00 10.00 C ATOM 130 O ILE A 9 3.155 -3.128 -10.299 1.00 10.00 O ATOM 131 CB ILE A 9 1.690 -3.097 -7.764 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.473 -2.539 -7.007 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.417 -4.097 -6.864 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.869 -1.615 -5.862 1.00 10.00 C ATOM 0 H ILE A 9 1.163 -1.085 -9.331 1.00 10.00 H new ATOM 0 HA ILE A 9 3.306 -1.712 -7.396 1.00 10.00 H new ATOM 0 HB ILE A 9 1.313 -3.579 -8.666 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.166 -1.996 -7.703 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.117 -3.367 -6.614 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.717 -4.864 -6.532 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.229 -4.564 -7.421 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.824 -3.577 -5.997 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.028 -1.250 -5.362 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.484 -2.163 -5.148 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.435 -0.770 -6.255 1.00 10.00 H new ATOM 146 N GLU A 10 4.932 -2.399 -9.128 1.00 10.00 N ATOM 147 CA GLU A 10 5.935 -2.940 -10.032 1.00 10.00 C ATOM 148 C GLU A 10 6.502 -4.204 -9.393 1.00 10.00 C ATOM 149 O GLU A 10 7.421 -4.135 -8.570 1.00 10.00 O ATOM 150 CB GLU A 10 7.016 -1.885 -10.313 1.00 10.00 C ATOM 151 CG GLU A 10 6.635 -1.010 -11.522 1.00 10.00 C ATOM 152 CD GLU A 10 6.803 -1.730 -12.861 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.583 -2.707 -12.894 1.00 10.00 O ATOM 154 OE2 GLU A 10 6.174 -1.271 -13.836 1.00 10.00 O ATOM 0 H GLU A 10 5.326 -1.902 -8.329 1.00 10.00 H new ATOM 0 HA GLU A 10 5.501 -3.199 -10.998 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.152 -1.256 -9.433 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.969 -2.378 -10.503 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.599 -0.687 -11.417 1.00 10.00 H new ATOM 0 HG3 GLU A 10 7.251 -0.111 -11.520 1.00 10.00 H new ATOM 161 N GLY A 11 5.934 -5.356 -9.767 1.00 10.00 N ATOM 162 CA GLY A 11 6.490 -6.660 -9.452 1.00 10.00 C ATOM 163 C GLY A 11 5.432 -7.761 -9.428 1.00 10.00 C ATOM 164 O GLY A 11 5.363 -8.566 -10.353 1.00 10.00 O ATOM 0 H GLY A 11 5.067 -5.401 -10.302 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.254 -6.912 -10.187 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.984 -6.615 -8.481 1.00 10.00 H new ATOM 168 N MET A 12 4.640 -7.830 -8.354 1.00 10.00 N ATOM 169 CA MET A 12 3.629 -8.867 -8.165 1.00 10.00 C ATOM 170 C MET A 12 2.246 -8.309 -8.480 1.00 10.00 C ATOM 171 O MET A 12 1.995 -7.124 -8.273 1.00 10.00 O ATOM 172 CB MET A 12 3.661 -9.376 -6.722 1.00 10.00 C ATOM 173 CG MET A 12 4.972 -10.073 -6.336 1.00 10.00 C ATOM 174 SD MET A 12 5.059 -11.877 -6.525 1.00 10.00 S ATOM 175 CE MET A 12 5.317 -12.074 -8.302 1.00 10.00 C ATOM 0 H MET A 12 4.685 -7.160 -7.586 1.00 10.00 H new ATOM 0 HA MET A 12 3.845 -9.695 -8.840 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.496 -8.536 -6.047 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.835 -10.071 -6.574 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.772 -9.635 -6.932 1.00 10.00 H new ATOM 0 HG3 MET A 12 5.184 -9.835 -5.294 1.00 10.00 H new ATOM 0 HE1 MET A 12 5.733 -13.061 -8.502 1.00 10.00 H new ATOM 0 HE2 MET A 12 4.365 -11.970 -8.822 1.00 10.00 H new ATOM 0 HE3 MET A 12 6.009 -11.310 -8.656 1.00 10.00 H new ATOM 185 N THR A 13 1.344 -9.180 -8.934 1.00 10.00 N ATOM 186 CA THR A 13 0.054 -8.813 -9.438 1.00 10.00 C ATOM 187 C THR A 13 -0.838 -8.281 -8.318 1.00 10.00 C ATOM 188 O THR A 13 -1.234 -7.127 -8.395 1.00 10.00 O ATOM 189 CB THR A 13 -0.459 -10.051 -10.183 1.00 10.00 C ATOM 190 OG1 THR A 13 0.197 -10.129 -11.428 1.00 10.00 O ATOM 191 CG2 THR A 13 -1.953 -10.055 -10.391 1.00 10.00 C ATOM 0 H THR A 13 1.512 -10.186 -8.955 1.00 10.00 H new ATOM 0 HA THR A 13 0.075 -7.978 -10.138 1.00 10.00 H new ATOM 0 HB THR A 13 -0.238 -10.920 -9.563 1.00 10.00 H new ATOM 0 HG1 THR A 13 0.274 -9.231 -11.814 1.00 10.00 H new ATOM 0 HG21 THR A 13 -2.244 -10.960 -10.924 1.00 10.00 H new ATOM 0 HG22 THR A 13 -2.455 -10.026 -9.424 1.00 10.00 H new ATOM 0 HG23 THR A 13 -2.241 -9.181 -10.975 1.00 10.00 H new ATOM 199 N CYS A 14 -1.141 -9.081 -7.282 1.00 10.00 N ATOM 200 CA CYS A 14 -1.999 -8.774 -6.151 1.00 10.00 C ATOM 201 C CYS A 14 -2.920 -9.976 -5.984 1.00 10.00 C ATOM 202 O CYS A 14 -4.081 -9.954 -6.376 1.00 10.00 O ATOM 203 CB CYS A 14 -2.839 -7.494 -6.247 1.00 10.00 C ATOM 204 SG CYS A 14 -1.923 -5.995 -5.769 1.00 10.00 S ATOM 0 H CYS A 14 -0.759 -10.025 -7.219 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.346 -8.581 -5.300 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -3.200 -7.380 -7.269 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.716 -7.595 -5.608 1.00 10.00 H new ATOM 0 HG CYS A 14 -1.119 -5.653 -6.731 1.00 10.00 H new ATOM 210 N ALA A 15 -2.389 -11.041 -5.389 1.00 10.00 N ATOM 211 CA ALA A 15 -3.203 -12.131 -4.881 1.00 10.00 C ATOM 212 C ALA A 15 -2.605 -12.536 -3.542 1.00 10.00 C ATOM 213 O ALA A 15 -2.882 -11.902 -2.527 1.00 10.00 O ATOM 214 CB ALA A 15 -3.273 -13.266 -5.912 1.00 10.00 C ATOM 0 H ALA A 15 -1.387 -11.168 -5.248 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.241 -11.840 -4.719 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -3.886 -14.077 -5.519 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -3.715 -12.892 -6.836 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -2.268 -13.636 -6.114 1.00 10.00 H new ATOM 220 N ALA A 16 -1.699 -13.510 -3.551 1.00 10.00 N ATOM 221 CA ALA A 16 -1.019 -13.976 -2.351 1.00 10.00 C ATOM 222 C ALA A 16 -0.196 -12.823 -1.790 1.00 10.00 C ATOM 223 O ALA A 16 -0.186 -12.553 -0.592 1.00 10.00 O ATOM 224 CB ALA A 16 -0.124 -15.169 -2.700 1.00 10.00 C ATOM 0 H ALA A 16 -1.415 -14.000 -4.399 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.740 -14.303 -1.601 1.00 10.00 H new ATOM 0 HB1 ALA A 16 0.385 -15.517 -1.801 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -0.735 -15.975 -3.107 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.616 -14.865 -3.441 1.00 10.00 H new ATOM 230 N CYS A 17 0.485 -12.124 -2.697 1.00 10.00 N ATOM 231 CA CYS A 17 1.373 -11.044 -2.326 1.00 10.00 C ATOM 232 C CYS A 17 0.583 -9.856 -1.777 1.00 10.00 C ATOM 233 O CYS A 17 0.876 -9.382 -0.681 1.00 10.00 O ATOM 234 CB CYS A 17 2.310 -10.702 -3.492 1.00 10.00 C ATOM 235 SG CYS A 17 3.984 -11.200 -3.017 1.00 10.00 S ATOM 0 H CYS A 17 0.432 -12.295 -3.701 1.00 10.00 H new ATOM 0 HA CYS A 17 2.020 -11.360 -1.508 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.999 -11.222 -4.398 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.276 -9.635 -3.710 1.00 10.00 H new ATOM 0 HG CYS A 17 4.769 -10.164 -3.044 1.00 10.00 H new ATOM 241 N ALA A 18 -0.467 -9.423 -2.490 1.00 10.00 N ATOM 242 CA ALA A 18 -1.468 -8.478 -1.980 1.00 10.00 C ATOM 243 C ALA A 18 -1.923 -8.864 -0.584 1.00 10.00 C ATOM 244 O ALA A 18 -1.969 -8.043 0.330 1.00 10.00 O ATOM 245 CB ALA A 18 -2.701 -8.460 -2.879 1.00 10.00 C ATOM 0 H ALA A 18 -0.646 -9.723 -3.448 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.996 -7.496 -1.961 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -3.430 -7.753 -2.483 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -2.413 -8.158 -3.886 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.142 -9.456 -2.911 1.00 10.00 H new ATOM 251 N ASN A 19 -2.253 -10.143 -0.437 1.00 10.00 N ATOM 252 CA ASN A 19 -2.722 -10.635 0.862 1.00 10.00 C ATOM 253 C ASN A 19 -1.685 -10.413 1.973 1.00 10.00 C ATOM 254 O ASN A 19 -2.051 -10.322 3.145 1.00 10.00 O ATOM 255 CB ASN A 19 -3.202 -12.091 0.792 1.00 10.00 C ATOM 256 CG ASN A 19 -4.664 -12.176 0.360 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.502 -12.702 1.085 1.00 10.00 O ATOM 258 ND2 ASN A 19 -4.984 -11.658 -0.820 1.00 10.00 N ATOM 0 H ASN A 19 -2.208 -10.844 -1.176 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.593 -10.037 1.128 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.581 -12.647 0.090 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.081 -12.563 1.767 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.950 -11.691 -1.146 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.264 -11.227 -1.400 1.00 10.00 H new ATOM 265 N ARG A 20 -0.395 -10.289 1.635 1.00 10.00 N ATOM 266 CA ARG A 20 0.621 -9.842 2.571 1.00 10.00 C ATOM 267 C ARG A 20 0.597 -8.314 2.681 1.00 10.00 C ATOM 268 O ARG A 20 0.610 -7.798 3.803 1.00 10.00 O ATOM 269 CB ARG A 20 2.005 -10.373 2.168 1.00 10.00 C ATOM 270 CG ARG A 20 2.874 -10.561 3.420 1.00 10.00 C ATOM 271 CD ARG A 20 2.557 -11.904 4.101 1.00 10.00 C ATOM 272 NE ARG A 20 2.700 -11.837 5.568 1.00 10.00 N ATOM 273 CZ ARG A 20 2.751 -12.905 6.385 1.00 10.00 C ATOM 274 NH1 ARG A 20 2.744 -14.142 5.876 1.00 10.00 N ATOM 275 NH2 ARG A 20 2.806 -12.729 7.710 1.00 10.00 N ATOM 0 H ARG A 20 -0.036 -10.498 0.703 1.00 10.00 H new ATOM 0 HA ARG A 20 0.402 -10.248 3.558 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.901 -11.321 1.640 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.486 -9.677 1.481 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.928 -10.526 3.146 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.698 -9.742 4.118 1.00 10.00 H new ATOM 0 HD2 ARG A 20 1.539 -12.204 3.851 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.222 -12.673 3.708 1.00 10.00 H new ATOM 0 HE ARG A 20 2.765 -10.913 5.994 1.00 10.00 H new ATOM 0 HH11 ARG A 20 2.700 -14.278 4.866 1.00 10.00 H new ATOM 0 HH12 ARG A 20 2.783 -14.950 6.498 1.00 10.00 H new ATOM 0 HH21 ARG A 20 2.809 -11.786 8.100 1.00 10.00 H new ATOM 0 HH22 ARG A 20 2.845 -13.537 8.331 1.00 10.00 H new ATOM 289 N ILE A 21 0.575 -7.602 1.539 1.00 10.00 N ATOM 290 CA ILE A 21 0.489 -6.140 1.498 1.00 10.00 C ATOM 291 C ILE A 21 -0.463 -5.624 2.565 1.00 10.00 C ATOM 292 O ILE A 21 -0.038 -4.827 3.393 1.00 10.00 O ATOM 293 CB ILE A 21 0.029 -5.572 0.137 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.911 -5.937 -1.055 1.00 10.00 C ATOM 295 CG2 ILE A 21 -0.032 -4.047 0.219 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.282 -5.256 -0.997 1.00 10.00 C ATOM 0 H ILE A 21 0.617 -8.033 0.615 1.00 10.00 H new ATOM 0 HA ILE A 21 1.508 -5.797 1.676 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.945 -6.028 -0.043 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.046 -7.018 -1.086 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.406 -5.653 -1.978 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.356 -3.644 -0.740 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.739 -3.752 0.994 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.956 -3.656 0.462 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.870 -5.548 -1.867 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.151 -4.174 -0.994 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.801 -5.561 -0.088 1.00 10.00 H new ATOM 308 N GLU A 22 -1.723 -6.068 2.545 1.00 10.00 N ATOM 309 CA GLU A 22 -2.747 -5.579 3.460 1.00 10.00 C ATOM 310 C GLU A 22 -2.221 -5.491 4.896 1.00 10.00 C ATOM 311 O GLU A 22 -2.359 -4.465 5.556 1.00 10.00 O ATOM 312 CB GLU A 22 -3.983 -6.484 3.397 1.00 10.00 C ATOM 313 CG GLU A 22 -4.666 -6.422 2.025 1.00 10.00 C ATOM 314 CD GLU A 22 -5.990 -7.174 2.010 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.137 -8.085 2.853 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.826 -6.818 1.153 1.00 10.00 O ATOM 0 H GLU A 22 -2.057 -6.777 1.892 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.025 -4.572 3.148 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.692 -7.512 3.612 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.692 -6.185 4.169 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.838 -5.381 1.753 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.002 -6.843 1.270 1.00 10.00 H new ATOM 323 N LYS A 23 -1.592 -6.564 5.376 1.00 10.00 N ATOM 324 CA LYS A 23 -1.104 -6.664 6.737 1.00 10.00 C ATOM 325 C LYS A 23 0.131 -5.779 6.927 1.00 10.00 C ATOM 326 O LYS A 23 0.247 -5.060 7.917 1.00 10.00 O ATOM 327 CB LYS A 23 -0.836 -8.142 7.050 1.00 10.00 C ATOM 328 CG LYS A 23 -0.716 -8.407 8.559 1.00 10.00 C ATOM 329 CD LYS A 23 -1.259 -9.798 8.925 1.00 10.00 C ATOM 330 CE LYS A 23 -2.801 -9.798 8.960 1.00 10.00 C ATOM 331 NZ LYS A 23 -3.368 -11.144 9.186 1.00 10.00 N ATOM 0 H LYS A 23 -1.408 -7.396 4.816 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.849 -6.298 7.443 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.642 -8.750 6.640 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.083 -8.455 6.554 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.328 -8.330 8.862 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.265 -7.643 9.110 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.908 -10.532 8.199 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.870 -10.100 9.897 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.142 -9.128 9.749 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.181 -9.402 8.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.406 -11.085 9.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.068 -11.780 8.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.030 -11.515 10.097 1.00 10.00 H new ATOM 345 N ARG A 24 1.063 -5.840 5.976 1.00 10.00 N ATOM 346 CA ARG A 24 2.290 -5.054 6.021 1.00 10.00 C ATOM 347 C ARG A 24 1.998 -3.548 6.033 1.00 10.00 C ATOM 348 O ARG A 24 2.699 -2.795 6.702 1.00 10.00 O ATOM 349 CB ARG A 24 3.184 -5.439 4.839 1.00 10.00 C ATOM 350 CG ARG A 24 3.606 -6.913 4.879 1.00 10.00 C ATOM 351 CD ARG A 24 4.686 -7.212 5.927 1.00 10.00 C ATOM 352 NE ARG A 24 5.145 -8.606 5.799 1.00 10.00 N ATOM 353 CZ ARG A 24 6.184 -9.150 6.455 1.00 10.00 C ATOM 354 NH1 ARG A 24 6.756 -8.483 7.462 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.645 -10.354 6.095 1.00 10.00 N ATOM 0 H ARG A 24 0.986 -6.437 5.153 1.00 10.00 H new ATOM 0 HA ARG A 24 2.814 -5.277 6.950 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.654 -5.241 3.907 1.00 10.00 H new ATOM 0 HB3 ARG A 24 4.074 -4.809 4.840 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.730 -7.528 5.086 1.00 10.00 H new ATOM 0 HG3 ARG A 24 3.975 -7.204 3.895 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.527 -6.531 5.798 1.00 10.00 H new ATOM 0 HD3 ARG A 24 4.289 -7.042 6.928 1.00 10.00 H new ATOM 0 HE ARG A 24 4.630 -9.210 5.158 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.404 -7.564 7.730 1.00 10.00 H new ATOM 0 HH12 ARG A 24 7.545 -8.893 7.962 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.208 -10.858 5.323 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.434 -10.768 6.592 1.00 10.00 H new ATOM 369 N LEU A 25 0.966 -3.118 5.308 1.00 10.00 N ATOM 370 CA LEU A 25 0.450 -1.758 5.338 1.00 10.00 C ATOM 371 C LEU A 25 -0.276 -1.521 6.664 1.00 10.00 C ATOM 372 O LEU A 25 0.014 -0.551 7.356 1.00 10.00 O ATOM 373 CB LEU A 25 -0.450 -1.510 4.113 1.00 10.00 C ATOM 374 CG LEU A 25 0.271 -0.664 3.047 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.291 -0.897 1.646 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.098 0.811 3.379 1.00 10.00 C ATOM 0 H LEU A 25 0.455 -3.726 4.668 1.00 10.00 H new ATOM 0 HA LEU A 25 1.268 -1.039 5.279 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.749 -2.465 3.680 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.362 -1.002 4.427 1.00 10.00 H new ATOM 0 HG LEU A 25 1.320 -0.959 3.055 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.250 -0.278 0.930 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.176 -1.947 1.378 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.348 -0.632 1.629 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.606 1.415 2.628 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -0.963 1.060 3.388 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.527 1.016 4.360 1.00 10.00 H new ATOM 388 N ASN A 26 -1.174 -2.423 7.067 1.00 10.00 N ATOM 389 CA ASN A 26 -1.883 -2.317 8.344 1.00 10.00 C ATOM 390 C ASN A 26 -0.930 -2.179 9.542 1.00 10.00 C ATOM 391 O ASN A 26 -1.333 -1.740 10.612 1.00 10.00 O ATOM 392 CB ASN A 26 -2.829 -3.508 8.532 1.00 10.00 C ATOM 393 CG ASN A 26 -3.778 -3.321 9.713 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.280 -2.231 9.957 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.076 -4.398 10.435 1.00 10.00 N ATOM 0 H ASN A 26 -1.429 -3.245 6.519 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.471 -1.400 8.308 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.411 -3.652 7.622 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.242 -4.414 8.682 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.735 -4.326 11.210 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.645 -5.296 10.213 1.00 10.00 H new ATOM 402 N LYS A 27 0.341 -2.560 9.379 1.00 10.00 N ATOM 403 CA LYS A 27 1.384 -2.313 10.357 1.00 10.00 C ATOM 404 C LYS A 27 1.550 -0.828 10.723 1.00 10.00 C ATOM 405 O LYS A 27 1.927 -0.530 11.853 1.00 10.00 O ATOM 406 CB LYS A 27 2.686 -2.848 9.762 1.00 10.00 C ATOM 407 CG LYS A 27 3.709 -3.309 10.805 1.00 10.00 C ATOM 408 CD LYS A 27 5.065 -2.621 10.604 1.00 10.00 C ATOM 409 CE LYS A 27 5.650 -2.877 9.205 1.00 10.00 C ATOM 410 NZ LYS A 27 6.853 -2.048 8.970 1.00 10.00 N ATOM 0 H LYS A 27 0.670 -3.055 8.550 1.00 10.00 H new ATOM 0 HA LYS A 27 1.113 -2.814 11.286 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.454 -3.684 9.102 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.137 -2.071 9.145 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.334 -3.091 11.805 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.835 -4.390 10.740 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.951 -1.548 10.756 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.766 -2.978 11.359 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.906 -3.932 9.102 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.898 -2.656 8.447 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.227 -2.241 8.019 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.601 -1.042 9.046 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.577 -2.278 9.680 1.00 10.00 H new ATOM 424 N ILE A 28 1.364 0.092 9.768 1.00 10.00 N ATOM 425 CA ILE A 28 1.485 1.523 10.014 1.00 10.00 C ATOM 426 C ILE A 28 0.505 1.939 11.108 1.00 10.00 C ATOM 427 O ILE A 28 -0.641 1.502 11.122 1.00 10.00 O ATOM 428 CB ILE A 28 1.192 2.276 8.712 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.333 2.069 7.700 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.918 3.767 8.923 1.00 10.00 C ATOM 431 CD1 ILE A 28 1.741 2.035 6.310 1.00 10.00 C ATOM 0 H ILE A 28 1.125 -0.142 8.804 1.00 10.00 H new ATOM 0 HA ILE A 28 2.495 1.763 10.347 1.00 10.00 H new ATOM 0 HB ILE A 28 0.273 1.851 8.309 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.062 2.875 7.781 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.861 1.139 7.910 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.718 4.240 7.961 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.053 3.889 9.574 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.788 4.235 9.384 1.00 10.00 H new ATOM 0 HD11 ILE A 28 2.536 1.889 5.579 1.00 10.00 H new ATOM 0 HD12 ILE A 28 1.027 1.214 6.238 1.00 10.00 H new ATOM 0 HD13 ILE A 28 1.232 2.977 6.108 1.00 10.00 H new ATOM 443 N GLU A 29 0.950 2.812 12.009 1.00 10.00 N ATOM 444 CA GLU A 29 0.137 3.216 13.142 1.00 10.00 C ATOM 445 C GLU A 29 -1.056 4.077 12.705 1.00 10.00 C ATOM 446 O GLU A 29 -2.195 3.747 13.025 1.00 10.00 O ATOM 447 CB GLU A 29 1.026 3.872 14.205 1.00 10.00 C ATOM 448 CG GLU A 29 1.973 2.817 14.799 1.00 10.00 C ATOM 449 CD GLU A 29 2.961 3.435 15.776 1.00 10.00 C ATOM 450 OE1 GLU A 29 2.563 3.614 16.947 1.00 10.00 O ATOM 451 OE2 GLU A 29 4.094 3.712 15.328 1.00 10.00 O ATOM 0 H GLU A 29 1.870 3.251 11.972 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.312 2.336 13.602 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.601 4.685 13.763 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.410 4.308 14.992 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.390 2.050 15.308 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.518 2.323 13.995 1.00 10.00 H new ATOM 458 N GLY A 30 -0.846 5.157 11.941 1.00 10.00 N ATOM 459 CA GLY A 30 -1.933 6.054 11.573 1.00 10.00 C ATOM 460 C GLY A 30 -2.669 5.551 10.335 1.00 10.00 C ATOM 461 O GLY A 30 -2.954 6.328 9.426 1.00 10.00 O ATOM 0 H GLY A 30 0.066 5.424 11.570 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.632 6.142 12.404 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.536 7.051 11.383 1.00 10.00 H new ATOM 465 N VAL A 31 -2.960 4.252 10.286 1.00 10.00 N ATOM 466 CA VAL A 31 -3.635 3.602 9.184 1.00 10.00 C ATOM 467 C VAL A 31 -5.106 3.430 9.555 1.00 10.00 C ATOM 468 O VAL A 31 -5.438 3.334 10.735 1.00 10.00 O ATOM 469 CB VAL A 31 -2.917 2.272 8.908 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.363 1.144 9.846 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.065 1.865 7.447 1.00 10.00 C ATOM 0 H VAL A 31 -2.721 3.609 11.041 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.602 4.190 8.267 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.860 2.441 9.115 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.820 0.231 9.601 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.153 1.425 10.878 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.433 0.973 9.727 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.548 0.920 7.278 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.122 1.748 7.207 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.631 2.635 6.809 1.00 10.00 H new ATOM 481 N ALA A 32 -5.984 3.394 8.554 1.00 10.00 N ATOM 482 CA ALA A 32 -7.389 3.063 8.745 1.00 10.00 C ATOM 483 C ALA A 32 -7.670 1.735 8.063 1.00 10.00 C ATOM 484 O ALA A 32 -8.135 0.792 8.696 1.00 10.00 O ATOM 485 CB ALA A 32 -8.277 4.160 8.163 1.00 10.00 C ATOM 0 H ALA A 32 -5.737 3.595 7.585 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.609 2.984 9.810 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.324 3.898 8.313 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.064 5.105 8.663 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.078 4.261 7.096 1.00 10.00 H new ATOM 491 N ASN A 33 -7.398 1.671 6.757 1.00 10.00 N ATOM 492 CA ASN A 33 -7.731 0.534 5.921 1.00 10.00 C ATOM 493 C ASN A 33 -6.668 0.448 4.832 1.00 10.00 C ATOM 494 O ASN A 33 -6.037 1.451 4.513 1.00 10.00 O ATOM 495 CB ASN A 33 -9.115 0.729 5.275 1.00 10.00 C ATOM 496 CG ASN A 33 -10.245 1.021 6.257 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.667 0.137 6.995 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.781 2.239 6.258 1.00 10.00 N ATOM 0 H ASN A 33 -6.933 2.424 6.251 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.761 -0.379 6.516 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.054 1.549 4.559 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.366 -0.169 4.710 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.559 2.453 6.881 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.413 2.958 5.635 1.00 10.00 H new ATOM 505 N ALA A 34 -6.485 -0.723 4.222 1.00 10.00 N ATOM 506 CA ALA A 34 -5.680 -0.842 3.011 1.00 10.00 C ATOM 507 C ALA A 34 -6.198 -1.957 2.098 1.00 10.00 C ATOM 508 O ALA A 34 -5.471 -2.912 1.832 1.00 10.00 O ATOM 509 CB ALA A 34 -4.204 -1.029 3.381 1.00 10.00 C ATOM 0 H ALA A 34 -6.885 -1.603 4.549 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.767 0.082 2.440 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.609 -1.117 2.472 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.861 -0.169 3.957 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.090 -1.934 3.978 1.00 10.00 H new ATOM 515 N PRO A 35 -7.448 -1.860 1.612 1.00 10.00 N ATOM 516 CA PRO A 35 -8.034 -2.859 0.742 1.00 10.00 C ATOM 517 C PRO A 35 -7.422 -2.700 -0.648 1.00 10.00 C ATOM 518 O PRO A 35 -7.978 -2.028 -1.515 1.00 10.00 O ATOM 519 CB PRO A 35 -9.538 -2.576 0.763 1.00 10.00 C ATOM 520 CG PRO A 35 -9.597 -1.058 0.944 1.00 10.00 C ATOM 521 CD PRO A 35 -8.389 -0.774 1.837 1.00 10.00 C ATOM 0 HA PRO A 35 -7.848 -3.887 1.053 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.022 -2.892 -0.161 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.036 -3.100 1.579 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.527 -0.534 -0.009 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.529 -0.743 1.413 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.939 0.187 1.588 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.684 -0.726 2.885 1.00 10.00 H new ATOM 529 N VAL A 36 -6.251 -3.301 -0.850 1.00 10.00 N ATOM 530 CA VAL A 36 -5.608 -3.370 -2.144 1.00 10.00 C ATOM 531 C VAL A 36 -6.555 -3.975 -3.182 1.00 10.00 C ATOM 532 O VAL A 36 -7.478 -4.706 -2.830 1.00 10.00 O ATOM 533 CB VAL A 36 -4.308 -4.174 -2.006 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.508 -3.713 -0.781 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.555 -5.674 -1.844 1.00 10.00 C ATOM 0 H VAL A 36 -5.723 -3.756 -0.106 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.359 -2.369 -2.495 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.756 -3.996 -2.929 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.591 -4.297 -0.704 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.258 -2.657 -0.886 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.106 -3.856 0.119 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.600 -6.192 -1.751 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -5.152 -5.850 -0.949 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.089 -6.051 -2.716 1.00 10.00 H new ATOM 545 N ASN A 37 -6.327 -3.699 -4.467 1.00 10.00 N ATOM 546 CA ASN A 37 -7.081 -4.386 -5.501 1.00 10.00 C ATOM 547 C ASN A 37 -6.385 -5.708 -5.775 1.00 10.00 C ATOM 548 O ASN A 37 -5.212 -5.852 -5.448 1.00 10.00 O ATOM 549 CB ASN A 37 -7.151 -3.552 -6.772 1.00 10.00 C ATOM 550 CG ASN A 37 -7.940 -2.274 -6.563 1.00 10.00 C ATOM 551 OD1 ASN A 37 -9.166 -2.289 -6.541 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.235 -1.161 -6.435 1.00 10.00 N ATOM 0 H ASN A 37 -5.643 -3.022 -4.805 1.00 10.00 H new ATOM 0 HA ASN A 37 -8.105 -4.552 -5.167 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -6.142 -3.306 -7.102 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.612 -4.138 -7.567 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.711 -0.267 -6.312 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.216 -1.197 -6.459 1.00 10.00 H new ATOM 559 N PHE A 38 -7.091 -6.660 -6.389 1.00 10.00 N ATOM 560 CA PHE A 38 -6.612 -8.034 -6.502 1.00 10.00 C ATOM 561 C PHE A 38 -6.529 -8.498 -7.952 1.00 10.00 C ATOM 562 O PHE A 38 -6.741 -9.673 -8.241 1.00 10.00 O ATOM 563 CB PHE A 38 -7.533 -8.953 -5.710 1.00 10.00 C ATOM 564 CG PHE A 38 -7.847 -8.473 -4.313 1.00 10.00 C ATOM 565 CD1 PHE A 38 -6.889 -8.603 -3.294 1.00 10.00 C ATOM 566 CD2 PHE A 38 -9.058 -7.803 -4.065 1.00 10.00 C ATOM 567 CE1 PHE A 38 -7.165 -8.111 -2.006 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.332 -7.305 -2.780 1.00 10.00 C ATOM 569 CZ PHE A 38 -8.389 -7.469 -1.749 1.00 10.00 C ATOM 0 H PHE A 38 -8.003 -6.500 -6.818 1.00 10.00 H new ATOM 0 HA PHE A 38 -5.601 -8.073 -6.095 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -8.467 -9.071 -6.259 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -7.074 -9.940 -5.647 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -5.942 -9.080 -3.499 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -9.776 -7.671 -4.861 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -6.438 -8.226 -1.216 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.265 -6.797 -2.584 1.00 10.00 H new ATOM 0 HZ PHE A 38 -8.606 -7.101 -0.757 1.00 10.00 H new ATOM 579 N ALA A 39 -6.291 -7.560 -8.871 1.00 10.00 N ATOM 580 CA ALA A 39 -6.374 -7.822 -10.301 1.00 10.00 C ATOM 581 C ALA A 39 -5.922 -6.607 -11.114 1.00 10.00 C ATOM 582 O ALA A 39 -5.295 -6.754 -12.156 1.00 10.00 O ATOM 583 CB ALA A 39 -7.824 -8.168 -10.668 1.00 10.00 C ATOM 0 H ALA A 39 -6.036 -6.600 -8.641 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.714 -8.657 -10.537 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.891 -8.365 -11.738 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -8.138 -9.054 -10.115 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.474 -7.331 -10.412 1.00 10.00 H new ATOM 589 N LEU A 40 -6.268 -5.406 -10.642 1.00 10.00 N ATOM 590 CA LEU A 40 -5.980 -4.147 -11.312 1.00 10.00 C ATOM 591 C LEU A 40 -4.493 -3.794 -11.236 1.00 10.00 C ATOM 592 O LEU A 40 -4.031 -2.946 -11.992 1.00 10.00 O ATOM 593 CB LEU A 40 -6.773 -3.024 -10.639 1.00 10.00 C ATOM 594 CG LEU A 40 -8.257 -3.307 -10.371 1.00 10.00 C ATOM 595 CD1 LEU A 40 -8.893 -2.002 -9.880 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.982 -3.868 -11.594 1.00 10.00 C ATOM 0 H LEU A 40 -6.768 -5.286 -9.761 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.262 -4.256 -12.359 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.293 -2.787 -9.690 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.702 -2.133 -11.263 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.347 -4.083 -9.611 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.952 -2.166 -9.679 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.396 -1.677 -8.966 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.784 -1.234 -10.645 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.028 -4.049 -11.346 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.922 -3.151 -12.413 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.514 -4.805 -11.897 1.00 10.00 H new ATOM 608 N GLU A 41 -3.780 -4.403 -10.281 1.00 10.00 N ATOM 609 CA GLU A 41 -2.368 -4.174 -10.019 1.00 10.00 C ATOM 610 C GLU A 41 -2.169 -2.751 -9.491 1.00 10.00 C ATOM 611 O GLU A 41 -1.237 -2.045 -9.869 1.00 10.00 O ATOM 612 CB GLU A 41 -1.517 -4.560 -11.246 1.00 10.00 C ATOM 613 CG GLU A 41 -1.786 -6.029 -11.614 1.00 10.00 C ATOM 614 CD GLU A 41 -0.857 -6.606 -12.673 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.563 -5.876 -13.642 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.478 -7.788 -12.506 1.00 10.00 O ATOM 0 H GLU A 41 -4.192 -5.092 -9.651 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.005 -4.829 -9.227 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.760 -3.912 -12.089 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.459 -4.416 -11.028 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.705 -6.635 -10.712 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.814 -6.118 -11.966 1.00 10.00 H new ATOM 623 N THR A 42 -3.061 -2.364 -8.574 1.00 10.00 N ATOM 624 CA THR A 42 -3.076 -1.083 -7.889 1.00 10.00 C ATOM 625 C THR A 42 -3.458 -1.302 -6.420 1.00 10.00 C ATOM 626 O THR A 42 -4.515 -1.863 -6.116 1.00 10.00 O ATOM 627 CB THR A 42 -4.059 -0.132 -8.582 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.293 -0.776 -8.834 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.484 0.368 -9.908 1.00 10.00 C ATOM 0 H THR A 42 -3.827 -2.971 -8.280 1.00 10.00 H new ATOM 0 HA THR A 42 -2.086 -0.628 -7.928 1.00 10.00 H new ATOM 0 HB THR A 42 -4.222 0.713 -7.913 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.905 -0.150 -9.275 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.197 1.041 -10.383 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.551 0.900 -9.722 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.293 -0.481 -10.565 1.00 10.00 H new ATOM 637 N VAL A 43 -2.604 -0.856 -5.503 1.00 10.00 N ATOM 638 CA VAL A 43 -2.885 -0.865 -4.070 1.00 10.00 C ATOM 639 C VAL A 43 -3.561 0.454 -3.708 1.00 10.00 C ATOM 640 O VAL A 43 -3.271 1.487 -4.312 1.00 10.00 O ATOM 641 CB VAL A 43 -1.569 -1.064 -3.306 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.580 -0.631 -1.836 1.00 10.00 C ATOM 643 CG2 VAL A 43 -1.068 -2.508 -3.428 1.00 10.00 C ATOM 0 H VAL A 43 -1.687 -0.474 -5.736 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.554 -1.682 -3.799 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.876 -0.382 -3.798 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.601 -0.816 -1.395 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.812 0.432 -1.772 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.335 -1.200 -1.295 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.134 -2.617 -2.876 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.814 -3.188 -3.017 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.899 -2.747 -4.478 1.00 10.00 H new ATOM 653 N THR A 44 -4.430 0.417 -2.699 1.00 10.00 N ATOM 654 CA THR A 44 -5.167 1.549 -2.184 1.00 10.00 C ATOM 655 C THR A 44 -4.975 1.548 -0.669 1.00 10.00 C ATOM 656 O THR A 44 -5.224 0.520 -0.038 1.00 10.00 O ATOM 657 CB THR A 44 -6.640 1.352 -2.561 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.782 1.217 -3.963 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.472 2.525 -2.054 1.00 10.00 C ATOM 0 H THR A 44 -4.643 -0.448 -2.201 1.00 10.00 H new ATOM 0 HA THR A 44 -4.827 2.501 -2.591 1.00 10.00 H new ATOM 0 HB THR A 44 -6.999 0.437 -2.091 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.728 1.090 -4.185 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.517 2.375 -2.327 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.386 2.590 -0.969 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.109 3.450 -2.503 1.00 10.00 H new ATOM 667 N VAL A 45 -4.515 2.663 -0.086 1.00 10.00 N ATOM 668 CA VAL A 45 -4.343 2.804 1.353 1.00 10.00 C ATOM 669 C VAL A 45 -5.203 3.951 1.848 1.00 10.00 C ATOM 670 O VAL A 45 -5.078 5.069 1.351 1.00 10.00 O ATOM 671 CB VAL A 45 -2.878 3.070 1.703 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.685 3.110 3.222 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.012 1.966 1.102 1.00 10.00 C ATOM 0 H VAL A 45 -4.251 3.497 -0.611 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.647 1.875 1.836 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.585 4.037 1.293 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.636 3.300 3.451 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.299 3.905 3.646 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -2.982 2.153 3.652 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.966 2.150 1.348 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.317 1.002 1.509 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.134 1.957 0.019 1.00 10.00 H new ATOM 683 N GLU A 46 -6.005 3.680 2.876 1.00 10.00 N ATOM 684 CA GLU A 46 -6.555 4.715 3.720 1.00 10.00 C ATOM 685 C GLU A 46 -5.635 4.878 4.933 1.00 10.00 C ATOM 686 O GLU A 46 -5.627 4.021 5.823 1.00 10.00 O ATOM 687 CB GLU A 46 -7.997 4.405 4.132 1.00 10.00 C ATOM 688 CG GLU A 46 -8.555 5.692 4.746 1.00 10.00 C ATOM 689 CD GLU A 46 -9.966 5.555 5.272 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.602 4.534 4.934 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.360 6.483 6.010 1.00 10.00 O ATOM 0 H GLU A 46 -6.286 2.735 3.139 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.601 5.654 3.169 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.590 4.096 3.271 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.029 3.586 4.851 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -7.903 6.008 5.560 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.532 6.482 3.995 1.00 10.00 H new ATOM 698 N TYR A 47 -4.869 5.971 4.975 1.00 10.00 N ATOM 699 CA TYR A 47 -4.020 6.301 6.113 1.00 10.00 C ATOM 700 C TYR A 47 -4.002 7.807 6.316 1.00 10.00 C ATOM 701 O TYR A 47 -4.409 8.557 5.433 1.00 10.00 O ATOM 702 CB TYR A 47 -2.595 5.744 5.956 1.00 10.00 C ATOM 703 CG TYR A 47 -1.646 6.553 5.081 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.894 6.738 3.705 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.544 7.197 5.674 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.107 7.635 2.963 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.227 8.108 4.937 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.075 8.353 3.591 1.00 10.00 C ATOM 709 OH TYR A 47 0.627 9.296 2.904 1.00 10.00 O ATOM 0 H TYR A 47 -4.823 6.651 4.216 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.441 5.825 6.999 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.152 5.653 6.948 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.665 4.737 5.545 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.689 6.190 3.221 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.290 6.988 6.703 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.296 7.773 1.909 1.00 10.00 H new ATOM 0 HE2 TYR A 47 1.053 8.620 5.407 1.00 10.00 H new ATOM 0 HH TYR A 47 1.302 9.695 3.492 1.00 10.00 H new ATOM 719 N ASN A 48 -3.537 8.244 7.481 1.00 10.00 N ATOM 720 CA ASN A 48 -3.375 9.655 7.787 1.00 10.00 C ATOM 721 C ASN A 48 -1.945 10.088 7.460 1.00 10.00 C ATOM 722 O ASN A 48 -0.999 9.345 7.716 1.00 10.00 O ATOM 723 CB ASN A 48 -3.794 9.958 9.237 1.00 10.00 C ATOM 724 CG ASN A 48 -2.885 9.425 10.346 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.674 9.321 10.205 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.449 9.176 11.525 1.00 10.00 N ATOM 0 H ASN A 48 -3.261 7.623 8.242 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.041 10.249 7.161 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.868 11.040 9.350 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.793 9.552 9.393 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.871 8.897 12.318 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.459 9.265 11.636 1.00 10.00 H new ATOM 733 N PRO A 49 -1.734 11.290 6.917 1.00 10.00 N ATOM 734 CA PRO A 49 -0.398 11.834 6.772 1.00 10.00 C ATOM 735 C PRO A 49 0.013 12.535 8.073 1.00 10.00 C ATOM 736 O PRO A 49 0.486 13.668 8.017 1.00 10.00 O ATOM 737 CB PRO A 49 -0.521 12.799 5.588 1.00 10.00 C ATOM 738 CG PRO A 49 -1.934 13.358 5.758 1.00 10.00 C ATOM 739 CD PRO A 49 -2.722 12.160 6.296 1.00 10.00 C ATOM 0 HA PRO A 49 0.373 11.086 6.588 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.233 13.585 5.626 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.400 12.287 4.633 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.954 14.198 6.453 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.342 13.716 4.813 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.474 12.478 7.018 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.249 11.645 5.493 1.00 10.00 H new ATOM 747 N LYS A 50 -0.169 11.902 9.247 1.00 10.00 N ATOM 748 CA LYS A 50 0.258 12.514 10.511 1.00 10.00 C ATOM 749 C LYS A 50 1.182 11.611 11.335 1.00 10.00 C ATOM 750 O LYS A 50 1.724 12.069 12.338 1.00 10.00 O ATOM 751 CB LYS A 50 -0.956 13.050 11.300 1.00 10.00 C ATOM 752 CG LYS A 50 -1.851 11.991 11.958 1.00 10.00 C ATOM 753 CD LYS A 50 -2.115 12.229 13.452 1.00 10.00 C ATOM 754 CE LYS A 50 -0.811 12.065 14.249 1.00 10.00 C ATOM 755 NZ LYS A 50 -0.980 11.316 15.505 1.00 10.00 N ATOM 0 H LYS A 50 -0.601 10.983 9.343 1.00 10.00 H new ATOM 0 HA LYS A 50 0.878 13.376 10.266 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.591 13.722 12.077 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.569 13.646 10.624 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.805 11.961 11.432 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.388 11.012 11.834 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.520 13.230 13.603 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.863 11.524 13.814 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -0.076 11.554 13.627 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -0.406 13.052 14.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -0.047 11.051 15.880 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -1.476 11.910 16.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -1.537 10.456 15.324 1.00 10.00 H new ATOM 769 N GLU A 51 1.334 10.343 10.940 1.00 10.00 N ATOM 770 CA GLU A 51 1.954 9.292 11.733 1.00 10.00 C ATOM 771 C GLU A 51 3.032 8.606 10.883 1.00 10.00 C ATOM 772 O GLU A 51 4.180 8.497 11.309 1.00 10.00 O ATOM 773 CB GLU A 51 0.849 8.316 12.186 1.00 10.00 C ATOM 774 CG GLU A 51 0.955 7.883 13.657 1.00 10.00 C ATOM 775 CD GLU A 51 0.241 8.860 14.578 1.00 10.00 C ATOM 776 OE1 GLU A 51 -1.008 8.947 14.496 1.00 10.00 O ATOM 777 OE2 GLU A 51 0.912 9.611 15.322 1.00 10.00 O ATOM 0 H GLU A 51 1.016 10.015 10.028 1.00 10.00 H new ATOM 0 HA GLU A 51 2.441 9.688 12.624 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.122 8.785 12.026 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.883 7.428 11.554 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.525 6.888 13.777 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.005 7.813 13.942 1.00 10.00 H new ATOM 784 N ALA A 52 2.669 8.174 9.667 1.00 10.00 N ATOM 785 CA ALA A 52 3.586 7.630 8.668 1.00 10.00 C ATOM 786 C ALA A 52 3.491 8.452 7.375 1.00 10.00 C ATOM 787 O ALA A 52 2.826 9.488 7.348 1.00 10.00 O ATOM 788 CB ALA A 52 3.262 6.158 8.427 1.00 10.00 C ATOM 0 H ALA A 52 1.701 8.196 9.347 1.00 10.00 H new ATOM 0 HA ALA A 52 4.613 7.694 9.028 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.946 5.752 7.682 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.371 5.604 9.359 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.237 6.065 8.068 1.00 10.00 H new ATOM 794 N SER A 53 4.146 7.997 6.300 1.00 10.00 N ATOM 795 CA SER A 53 4.159 8.645 4.995 1.00 10.00 C ATOM 796 C SER A 53 4.097 7.608 3.867 1.00 10.00 C ATOM 797 O SER A 53 4.323 6.419 4.088 1.00 10.00 O ATOM 798 CB SER A 53 5.444 9.471 4.859 1.00 10.00 C ATOM 799 OG SER A 53 6.576 8.617 4.877 1.00 10.00 O ATOM 0 H SER A 53 4.698 7.139 6.322 1.00 10.00 H new ATOM 0 HA SER A 53 3.285 9.291 4.916 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.423 10.040 3.930 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.510 10.192 5.673 1.00 10.00 H new ATOM 0 HG SER A 53 7.392 9.153 4.788 1.00 10.00 H new ATOM 805 N VAL A 54 3.885 8.090 2.640 1.00 10.00 N ATOM 806 CA VAL A 54 4.084 7.325 1.413 1.00 10.00 C ATOM 807 C VAL A 54 5.466 6.658 1.414 1.00 10.00 C ATOM 808 O VAL A 54 5.595 5.463 1.147 1.00 10.00 O ATOM 809 CB VAL A 54 3.888 8.251 0.202 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.237 7.548 -1.117 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.435 8.753 0.170 1.00 10.00 C ATOM 0 H VAL A 54 3.564 9.043 2.471 1.00 10.00 H new ATOM 0 HA VAL A 54 3.347 6.524 1.351 1.00 10.00 H new ATOM 0 HB VAL A 54 4.568 9.096 0.308 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.085 8.237 -1.948 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.279 7.230 -1.095 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.595 6.677 -1.246 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.296 9.410 -0.689 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.758 7.903 0.090 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.220 9.303 1.086 1.00 10.00 H new ATOM 821 N SER A 55 6.506 7.445 1.706 1.00 10.00 N ATOM 822 CA SER A 55 7.881 6.982 1.757 1.00 10.00 C ATOM 823 C SER A 55 8.068 5.854 2.772 1.00 10.00 C ATOM 824 O SER A 55 8.853 4.939 2.510 1.00 10.00 O ATOM 825 CB SER A 55 8.803 8.163 2.057 1.00 10.00 C ATOM 826 OG SER A 55 8.573 9.170 1.089 1.00 10.00 O ATOM 0 H SER A 55 6.406 8.438 1.916 1.00 10.00 H new ATOM 0 HA SER A 55 8.142 6.565 0.784 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.611 8.549 3.058 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.845 7.845 2.033 1.00 10.00 H new ATOM 0 HG SER A 55 9.157 9.936 1.269 1.00 10.00 H new ATOM 832 N ASP A 56 7.359 5.904 3.903 1.00 10.00 N ATOM 833 CA ASP A 56 7.375 4.801 4.853 1.00 10.00 C ATOM 834 C ASP A 56 6.657 3.595 4.253 1.00 10.00 C ATOM 835 O ASP A 56 7.269 2.546 4.062 1.00 10.00 O ATOM 836 CB ASP A 56 6.719 5.204 6.174 1.00 10.00 C ATOM 837 CG ASP A 56 6.672 4.015 7.125 1.00 10.00 C ATOM 838 OD1 ASP A 56 5.660 3.285 7.064 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.651 3.853 7.882 1.00 10.00 O ATOM 0 H ASP A 56 6.773 6.692 4.177 1.00 10.00 H new ATOM 0 HA ASP A 56 8.412 4.538 5.060 1.00 10.00 H new ATOM 0 HB2 ASP A 56 7.277 6.022 6.630 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.709 5.571 5.989 1.00 10.00 H new ATOM 844 N LEU A 57 5.370 3.738 3.920 1.00 10.00 N ATOM 845 CA LEU A 57 4.531 2.584 3.646 1.00 10.00 C ATOM 846 C LEU A 57 5.085 1.776 2.475 1.00 10.00 C ATOM 847 O LEU A 57 5.265 0.562 2.570 1.00 10.00 O ATOM 848 CB LEU A 57 3.065 3.014 3.519 1.00 10.00 C ATOM 849 CG LEU A 57 2.705 3.912 2.334 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.394 3.102 1.073 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.506 4.803 2.682 1.00 10.00 C ATOM 0 H LEU A 57 4.896 4.637 3.836 1.00 10.00 H new ATOM 0 HA LEU A 57 4.551 1.890 4.487 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.452 2.115 3.461 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.784 3.533 4.435 1.00 10.00 H new ATOM 0 HG LEU A 57 3.576 4.534 2.128 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.144 3.780 0.257 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.266 2.509 0.797 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.550 2.439 1.265 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.263 5.436 1.828 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.647 4.178 2.927 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.755 5.429 3.539 1.00 10.00 H new ATOM 863 N LYS A 58 5.438 2.460 1.386 1.00 10.00 N ATOM 864 CA LYS A 58 6.129 1.852 0.264 1.00 10.00 C ATOM 865 C LYS A 58 7.340 1.011 0.662 1.00 10.00 C ATOM 866 O LYS A 58 7.590 -0.007 0.026 1.00 10.00 O ATOM 867 CB LYS A 58 6.484 2.924 -0.771 1.00 10.00 C ATOM 868 CG LYS A 58 7.691 3.798 -0.410 1.00 10.00 C ATOM 869 CD LYS A 58 8.992 3.250 -1.029 1.00 10.00 C ATOM 870 CE LYS A 58 10.261 3.898 -0.452 1.00 10.00 C ATOM 871 NZ LYS A 58 10.511 3.515 0.955 1.00 10.00 N ATOM 0 H LYS A 58 5.249 3.455 1.263 1.00 10.00 H new ATOM 0 HA LYS A 58 5.439 1.138 -0.186 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.681 2.435 -1.725 1.00 10.00 H new ATOM 0 HB3 LYS A 58 5.617 3.569 -0.916 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.521 4.816 -0.760 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.795 3.846 0.674 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.037 2.173 -0.868 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.969 3.410 -2.107 1.00 10.00 H new ATOM 0 HE2 LYS A 58 11.119 3.611 -1.060 1.00 10.00 H new ATOM 0 HE3 LYS A 58 10.172 4.982 -0.518 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.329 4.045 1.319 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.672 3.735 1.529 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.708 2.495 1.007 1.00 10.00 H new ATOM 885 N GLU A 59 8.104 1.414 1.683 1.00 10.00 N ATOM 886 CA GLU A 59 9.254 0.660 2.137 1.00 10.00 C ATOM 887 C GLU A 59 8.846 -0.760 2.527 1.00 10.00 C ATOM 888 O GLU A 59 9.611 -1.703 2.339 1.00 10.00 O ATOM 889 CB GLU A 59 9.902 1.368 3.333 1.00 10.00 C ATOM 890 CG GLU A 59 11.389 1.014 3.379 1.00 10.00 C ATOM 891 CD GLU A 59 11.906 0.980 4.809 1.00 10.00 C ATOM 892 OE1 GLU A 59 11.616 -0.031 5.486 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.567 1.970 5.185 1.00 10.00 O ATOM 0 H GLU A 59 7.935 2.271 2.210 1.00 10.00 H new ATOM 0 HA GLU A 59 9.975 0.600 1.322 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.775 2.447 3.245 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.414 1.064 4.259 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.548 0.043 2.909 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.957 1.744 2.802 1.00 10.00 H new ATOM 900 N ALA A 60 7.632 -0.921 3.060 1.00 10.00 N ATOM 901 CA ALA A 60 7.171 -2.231 3.486 1.00 10.00 C ATOM 902 C ALA A 60 7.126 -3.151 2.266 1.00 10.00 C ATOM 903 O ALA A 60 7.703 -4.237 2.265 1.00 10.00 O ATOM 904 CB ALA A 60 5.807 -2.116 4.174 1.00 10.00 C ATOM 0 H ALA A 60 6.962 -0.165 3.203 1.00 10.00 H new ATOM 0 HA ALA A 60 7.857 -2.658 4.217 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.473 -3.105 4.488 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.893 -1.468 5.046 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.083 -1.693 3.478 1.00 10.00 H new ATOM 910 N VAL A 61 6.455 -2.671 1.219 1.00 10.00 N ATOM 911 CA VAL A 61 6.313 -3.348 -0.058 1.00 10.00 C ATOM 912 C VAL A 61 7.688 -3.567 -0.706 1.00 10.00 C ATOM 913 O VAL A 61 8.000 -4.673 -1.146 1.00 10.00 O ATOM 914 CB VAL A 61 5.343 -2.552 -0.948 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.039 -3.325 -2.239 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.036 -2.272 -0.190 1.00 10.00 C ATOM 0 H VAL A 61 5.981 -1.768 1.244 1.00 10.00 H new ATOM 0 HA VAL A 61 5.885 -4.340 0.085 1.00 10.00 H new ATOM 0 HB VAL A 61 5.815 -1.605 -1.209 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.351 -2.747 -2.856 1.00 10.00 H new ATOM 0 HG12 VAL A 61 5.965 -3.494 -2.789 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.584 -4.284 -1.990 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.358 -1.708 -0.830 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.569 -3.216 0.091 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.253 -1.693 0.708 1.00 10.00 H new ATOM 926 N ASP A 62 8.524 -2.524 -0.703 1.00 10.00 N ATOM 927 CA ASP A 62 9.849 -2.536 -1.305 1.00 10.00 C ATOM 928 C ASP A 62 10.651 -3.679 -0.688 1.00 10.00 C ATOM 929 O ASP A 62 11.074 -4.609 -1.373 1.00 10.00 O ATOM 930 CB ASP A 62 10.504 -1.162 -1.093 1.00 10.00 C ATOM 931 CG ASP A 62 11.676 -0.938 -2.033 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.722 -1.574 -1.795 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.505 -0.111 -2.958 1.00 10.00 O ATOM 0 H ASP A 62 8.287 -1.631 -0.271 1.00 10.00 H new ATOM 0 HA ASP A 62 9.803 -2.709 -2.380 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.761 -0.379 -1.247 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.846 -1.079 -0.061 1.00 10.00 H new ATOM 938 N LYS A 63 10.744 -3.663 0.644 1.00 10.00 N ATOM 939 CA LYS A 63 11.407 -4.690 1.425 1.00 10.00 C ATOM 940 C LYS A 63 10.767 -6.066 1.208 1.00 10.00 C ATOM 941 O LYS A 63 11.468 -7.075 1.233 1.00 10.00 O ATOM 942 CB LYS A 63 11.420 -4.264 2.900 1.00 10.00 C ATOM 943 CG LYS A 63 12.381 -5.132 3.733 1.00 10.00 C ATOM 944 CD LYS A 63 11.704 -6.367 4.351 1.00 10.00 C ATOM 945 CE LYS A 63 11.464 -6.193 5.856 1.00 10.00 C ATOM 946 NZ LYS A 63 10.695 -4.967 6.151 1.00 10.00 N ATOM 0 H LYS A 63 10.349 -2.916 1.215 1.00 10.00 H new ATOM 0 HA LYS A 63 12.439 -4.795 1.090 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.717 -3.218 2.974 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.413 -4.340 3.310 1.00 10.00 H new ATOM 0 HG2 LYS A 63 13.207 -5.457 3.100 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.810 -4.525 4.530 1.00 10.00 H new ATOM 0 HD2 LYS A 63 10.753 -6.549 3.850 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.327 -7.246 4.182 1.00 10.00 H new ATOM 0 HE2 LYS A 63 10.927 -7.060 6.241 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.422 -6.155 6.375 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.321 -5.016 7.120 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 11.316 -4.138 6.061 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.905 -4.883 5.480 1.00 10.00 H new ATOM 960 N LEU A 64 9.444 -6.129 1.024 1.00 10.00 N ATOM 961 CA LEU A 64 8.760 -7.354 0.629 1.00 10.00 C ATOM 962 C LEU A 64 9.337 -7.956 -0.658 1.00 10.00 C ATOM 963 O LEU A 64 9.335 -9.179 -0.789 1.00 10.00 O ATOM 964 CB LEU A 64 7.254 -7.094 0.480 1.00 10.00 C ATOM 965 CG LEU A 64 6.400 -7.820 1.516 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.709 -7.330 2.935 1.00 10.00 C ATOM 967 CD2 LEU A 64 4.936 -7.519 1.194 1.00 10.00 C ATOM 0 H LEU A 64 8.822 -5.330 1.146 1.00 10.00 H new ATOM 0 HA LEU A 64 8.921 -8.087 1.419 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.070 -6.022 0.557 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.938 -7.401 -0.517 1.00 10.00 H new ATOM 0 HG LEU A 64 6.612 -8.889 1.477 1.00 10.00 H new ATOM 0 HD11 LEU A 64 6.084 -7.866 3.649 1.00 10.00 H new ATOM 0 HD12 LEU A 64 7.759 -7.513 3.162 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.503 -6.262 3.004 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.294 -8.023 1.916 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.766 -6.444 1.245 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.703 -7.876 0.191 1.00 10.00 H new ATOM 979 N GLY A 65 9.820 -7.128 -1.593 1.00 10.00 N ATOM 980 CA GLY A 65 10.587 -7.599 -2.742 1.00 10.00 C ATOM 981 C GLY A 65 10.172 -6.977 -4.075 1.00 10.00 C ATOM 982 O GLY A 65 10.818 -7.234 -5.087 1.00 10.00 O ATOM 0 H GLY A 65 9.688 -6.117 -1.570 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.643 -7.389 -2.570 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.485 -8.682 -2.813 1.00 10.00 H new ATOM 986 N TYR A 66 9.089 -6.197 -4.105 1.00 10.00 N ATOM 987 CA TYR A 66 8.548 -5.577 -5.309 1.00 10.00 C ATOM 988 C TYR A 66 8.222 -4.138 -4.952 1.00 10.00 C ATOM 989 O TYR A 66 7.981 -3.855 -3.784 1.00 10.00 O ATOM 990 CB TYR A 66 7.312 -6.329 -5.816 1.00 10.00 C ATOM 991 CG TYR A 66 6.318 -6.782 -4.765 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.629 -7.870 -3.928 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.039 -6.202 -4.700 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.712 -8.296 -2.957 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.073 -6.729 -3.831 1.00 10.00 C ATOM 996 CZ TYR A 66 4.426 -7.740 -2.921 1.00 10.00 C ATOM 997 OH TYR A 66 3.517 -8.221 -2.026 1.00 10.00 O ATOM 0 H TYR A 66 8.552 -5.975 -3.267 1.00 10.00 H new ATOM 0 HA TYR A 66 9.272 -5.613 -6.123 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.790 -5.688 -6.526 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.649 -7.207 -6.368 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.576 -8.378 -4.034 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.800 -5.350 -5.320 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.996 -9.051 -2.239 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.059 -6.358 -3.861 1.00 10.00 H new ATOM 0 HH TYR A 66 3.617 -9.193 -1.949 1.00 10.00 H new ATOM 1007 N LYS A 67 8.273 -3.216 -5.914 1.00 10.00 N ATOM 1008 CA LYS A 67 8.368 -1.805 -5.573 1.00 10.00 C ATOM 1009 C LYS A 67 7.031 -1.097 -5.785 1.00 10.00 C ATOM 1010 O LYS A 67 6.282 -1.402 -6.715 1.00 10.00 O ATOM 1011 CB LYS A 67 9.569 -1.170 -6.286 1.00 10.00 C ATOM 1012 CG LYS A 67 9.988 0.170 -5.657 1.00 10.00 C ATOM 1013 CD LYS A 67 9.531 1.385 -6.479 1.00 10.00 C ATOM 1014 CE LYS A 67 10.716 2.263 -6.904 1.00 10.00 C ATOM 1015 NZ LYS A 67 11.686 1.524 -7.740 1.00 10.00 N ATOM 0 H LYS A 67 8.250 -3.419 -6.913 1.00 10.00 H new ATOM 0 HA LYS A 67 8.568 -1.687 -4.508 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.412 -1.861 -6.256 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.322 -1.013 -7.336 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.571 0.240 -4.652 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.073 0.194 -5.555 1.00 10.00 H new ATOM 0 HD2 LYS A 67 8.995 1.044 -7.365 1.00 10.00 H new ATOM 0 HD3 LYS A 67 8.831 1.979 -5.892 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.346 3.127 -7.457 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.220 2.645 -6.016 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.222 2.196 -8.326 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.342 0.998 -7.128 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.177 0.858 -8.355 1.00 10.00 H new ATOM 1029 N LEU A 68 6.746 -0.170 -4.868 1.00 10.00 N ATOM 1030 CA LEU A 68 5.506 0.568 -4.743 1.00 10.00 C ATOM 1031 C LEU A 68 5.822 2.047 -4.930 1.00 10.00 C ATOM 1032 O LEU A 68 6.860 2.521 -4.465 1.00 10.00 O ATOM 1033 CB LEU A 68 4.954 0.341 -3.330 1.00 10.00 C ATOM 1034 CG LEU A 68 3.562 0.953 -3.132 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.521 0.050 -3.783 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.207 1.208 -1.672 1.00 10.00 C ATOM 0 H LEU A 68 7.423 0.095 -4.153 1.00 10.00 H new ATOM 0 HA LEU A 68 4.775 0.243 -5.483 1.00 10.00 H new ATOM 0 HB2 LEU A 68 4.907 -0.730 -3.131 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.642 0.771 -2.602 1.00 10.00 H new ATOM 0 HG LEU A 68 3.572 1.933 -3.610 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.529 0.480 -3.645 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.733 -0.040 -4.848 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.556 -0.937 -3.321 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.209 1.641 -1.611 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.229 0.267 -1.123 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.930 1.899 -1.237 1.00 10.00 H new ATOM 1048 N LYS A 69 4.913 2.781 -5.564 1.00 10.00 N ATOM 1049 CA LYS A 69 4.965 4.226 -5.671 1.00 10.00 C ATOM 1050 C LYS A 69 3.547 4.762 -5.698 1.00 10.00 C ATOM 1051 O LYS A 69 2.648 4.026 -6.082 1.00 10.00 O ATOM 1052 CB LYS A 69 5.724 4.620 -6.948 1.00 10.00 C ATOM 1053 CG LYS A 69 6.722 5.748 -6.685 1.00 10.00 C ATOM 1054 CD LYS A 69 7.768 5.282 -5.661 1.00 10.00 C ATOM 1055 CE LYS A 69 9.079 6.074 -5.752 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.888 7.516 -5.495 1.00 10.00 N ATOM 0 H LYS A 69 4.101 2.372 -6.028 1.00 10.00 H new ATOM 0 HA LYS A 69 5.491 4.652 -4.817 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.252 3.751 -7.341 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.013 4.934 -7.712 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.212 6.038 -7.615 1.00 10.00 H new ATOM 0 HG3 LYS A 69 6.200 6.629 -6.312 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.357 5.382 -4.656 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.976 4.223 -5.816 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.793 5.672 -5.034 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.513 5.939 -6.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.805 8.003 -5.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.241 7.913 -6.206 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.483 7.649 -4.546 1.00 10.00 H new ATOM 1070 N LEU A 70 3.346 6.015 -5.284 1.00 10.00 N ATOM 1071 CA LEU A 70 2.031 6.638 -5.340 1.00 10.00 C ATOM 1072 C LEU A 70 1.590 6.753 -6.796 1.00 10.00 C ATOM 1073 O LEU A 70 2.423 6.809 -7.700 1.00 10.00 O ATOM 1074 CB LEU A 70 2.082 8.047 -4.736 1.00 10.00 C ATOM 1075 CG LEU A 70 0.773 8.544 -4.106 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.469 7.769 -2.823 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.916 10.031 -3.767 1.00 10.00 C ATOM 0 H LEU A 70 4.080 6.614 -4.907 1.00 10.00 H new ATOM 0 HA LEU A 70 1.330 6.025 -4.774 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.862 8.069 -3.975 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.378 8.748 -5.517 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.041 8.391 -4.814 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.462 8.134 -2.389 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.371 6.708 -3.053 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.281 7.912 -2.111 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.009 10.393 -3.319 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.737 10.166 -3.063 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.122 10.594 -4.678 1.00 10.00 H new ATOM 1089 N LYS A 71 0.282 6.856 -6.997 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.338 7.160 -8.262 1.00 10.00 C ATOM 1091 C LYS A 71 -0.957 8.556 -8.160 1.00 10.00 C ATOM 1092 O LYS A 71 -0.476 9.477 -8.815 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.315 6.031 -8.608 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.201 6.460 -9.774 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.675 5.250 -10.591 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.458 5.670 -11.846 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.653 6.506 -12.761 1.00 10.00 N ATOM 0 H LYS A 71 -0.396 6.723 -6.246 1.00 10.00 H new ATOM 0 HA LYS A 71 0.368 7.201 -9.091 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.764 5.127 -8.870 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.930 5.790 -7.741 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.065 7.006 -9.395 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.650 7.144 -10.420 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.813 4.652 -10.886 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.305 4.616 -9.967 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.795 4.779 -12.375 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.350 6.220 -11.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.136 6.580 -13.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.538 7.456 -12.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.718 6.072 -12.896 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.996 8.732 -7.337 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.566 10.055 -7.097 1.00 10.00 C ATOM 1113 C GLY A 72 -3.969 9.998 -6.499 1.00 10.00 C ATOM 1114 O GLY A 72 -4.867 10.679 -6.987 1.00 10.00 O ATOM 0 H GLY A 72 -2.456 7.976 -6.829 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.912 10.610 -6.424 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.599 10.607 -8.037 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.132 9.204 -5.434 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.394 9.003 -4.730 1.00 10.00 C ATOM 1120 C GLU A 73 -6.456 8.332 -5.607 1.00 10.00 C ATOM 1121 O GLU A 73 -6.259 8.132 -6.803 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.899 10.303 -4.081 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.827 11.006 -3.238 1.00 10.00 C ATOM 1124 CD GLU A 73 -5.464 12.071 -2.357 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -5.972 13.054 -2.937 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -5.457 11.865 -1.124 1.00 10.00 O ATOM 0 H GLU A 73 -3.363 8.670 -5.030 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.193 8.304 -3.918 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.244 10.982 -4.861 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.760 10.078 -3.451 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -4.305 10.276 -2.619 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -4.082 11.462 -3.890 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.568 7.939 -4.980 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.655 7.241 -5.654 1.00 10.00 C ATOM 1135 C GLN A 74 -9.631 8.232 -6.299 1.00 10.00 C ATOM 1136 O GLN A 74 -9.958 9.262 -5.708 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.358 6.282 -4.678 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.982 6.988 -3.466 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.739 6.013 -2.564 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.193 5.006 -2.127 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -11.998 6.305 -2.249 1.00 10.00 N ATOM 0 H GLN A 74 -7.736 8.099 -3.987 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.239 6.640 -6.463 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -10.137 5.739 -5.213 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -8.638 5.543 -4.327 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.199 7.481 -2.890 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.663 7.767 -3.810 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -12.435 7.148 -2.623 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -12.526 5.686 -1.634 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.133 7.901 -7.494 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.094 8.715 -8.245 1.00 10.00 C ATOM 1152 C ASP A 75 -12.477 8.728 -7.573 1.00 10.00 C ATOM 1153 O ASP A 75 -13.445 8.170 -8.088 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.182 8.220 -9.699 1.00 10.00 C ATOM 1155 CG ASP A 75 -10.001 8.672 -10.545 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -8.989 7.940 -10.545 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -10.140 9.735 -11.188 1.00 10.00 O ATOM 0 H ASP A 75 -9.876 7.040 -7.976 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.737 9.745 -8.250 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -11.233 7.131 -9.705 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.106 8.585 -10.148 1.00 10.00 H new ATOM 1162 N SER A 76 -12.589 9.384 -6.416 1.00 10.00 N ATOM 1163 CA SER A 76 -13.847 9.562 -5.699 1.00 10.00 C ATOM 1164 C SER A 76 -14.574 10.820 -6.172 1.00 10.00 C ATOM 1165 O SER A 76 -14.188 11.929 -5.813 1.00 10.00 O ATOM 1166 CB SER A 76 -13.571 9.629 -4.197 1.00 10.00 C ATOM 1167 OG SER A 76 -13.048 8.380 -3.799 1.00 10.00 O ATOM 0 H SER A 76 -11.792 9.813 -5.945 1.00 10.00 H new ATOM 0 HA SER A 76 -14.495 8.710 -5.906 1.00 10.00 H new ATOM 0 HB2 SER A 76 -12.864 10.428 -3.974 1.00 10.00 H new ATOM 0 HB3 SER A 76 -14.487 9.852 -3.650 1.00 10.00 H new ATOM 0 HG SER A 76 -13.782 7.787 -3.535 1.00 10.00 H new ATOM 1173 N ILE A 77 -15.650 10.639 -6.942 1.00 10.00 N ATOM 1174 CA ILE A 77 -16.509 11.727 -7.407 1.00 10.00 C ATOM 1175 C ILE A 77 -17.492 12.166 -6.309 1.00 10.00 C ATOM 1176 O ILE A 77 -17.999 13.285 -6.321 1.00 10.00 O ATOM 1177 CB ILE A 77 -17.209 11.311 -8.722 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -16.170 10.804 -9.748 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -18.009 12.482 -9.320 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -16.790 10.315 -11.061 1.00 10.00 C ATOM 0 H ILE A 77 -15.952 9.719 -7.263 1.00 10.00 H new ATOM 0 HA ILE A 77 -15.901 12.605 -7.626 1.00 10.00 H new ATOM 0 HB ILE A 77 -17.904 10.504 -8.490 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -15.466 11.607 -9.966 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -15.598 9.991 -9.301 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -18.490 12.160 -10.244 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -18.769 12.804 -8.608 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -17.335 13.312 -9.532 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -16.001 9.975 -11.731 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -17.473 9.490 -10.856 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -17.338 11.132 -11.531 1.00 10.00 H new ATOM 1192 N GLU A 78 -17.762 11.269 -5.363 1.00 10.00 N ATOM 1193 CA GLU A 78 -18.693 11.482 -4.261 1.00 10.00 C ATOM 1194 C GLU A 78 -18.239 12.662 -3.390 1.00 10.00 C ATOM 1195 O GLU A 78 -17.046 12.822 -3.136 1.00 10.00 O ATOM 1196 CB GLU A 78 -18.794 10.186 -3.442 1.00 10.00 C ATOM 1197 CG GLU A 78 -19.990 10.182 -2.483 1.00 10.00 C ATOM 1198 CD GLU A 78 -19.998 8.908 -1.649 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -19.164 8.840 -0.721 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -20.817 8.021 -1.971 1.00 10.00 O ATOM 0 H GLU A 78 -17.325 10.347 -5.343 1.00 10.00 H new ATOM 0 HA GLU A 78 -19.679 11.733 -4.652 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -18.876 9.338 -4.121 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -17.876 10.050 -2.871 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -19.942 11.052 -1.828 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -20.918 10.259 -3.049 1.00 10.00 H new ATOM 1207 N GLY A 79 -19.189 13.477 -2.919 1.00 10.00 N ATOM 1208 CA GLY A 79 -18.926 14.627 -2.071 1.00 10.00 C ATOM 1209 C GLY A 79 -20.239 15.353 -1.782 1.00 10.00 C ATOM 1210 O GLY A 79 -21.309 14.810 -2.058 1.00 10.00 O ATOM 0 H GLY A 79 -20.179 13.346 -3.125 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -18.461 14.307 -1.138 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -18.224 15.302 -2.561 1.00 10.00 H new ATOM 1214 N ARG A 80 -20.144 16.572 -1.246 1.00 10.00 N ATOM 1215 CA ARG A 80 -21.227 17.539 -1.182 1.00 10.00 C ATOM 1216 C ARG A 80 -20.844 18.627 -2.181 1.00 10.00 C ATOM 1217 O ARG A 80 -19.625 18.907 -2.241 1.00 10.00 O ATOM 1218 CB ARG A 80 -21.325 18.128 0.237 1.00 10.00 C ATOM 1219 CG ARG A 80 -22.469 19.150 0.337 1.00 10.00 C ATOM 1220 CD ARG A 80 -22.410 19.957 1.639 1.00 10.00 C ATOM 1221 NE ARG A 80 -23.430 21.019 1.622 1.00 10.00 N ATOM 1222 CZ ARG A 80 -23.502 22.042 2.487 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -22.645 22.112 3.511 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -24.432 22.992 2.323 1.00 10.00 N ATOM 1225 OXT ARG A 80 -21.762 19.165 -2.835 1.00 10.00 O ATOM 0 H ARG A 80 -19.279 16.919 -0.832 1.00 10.00 H new ATOM 0 HA ARG A 80 -22.194 17.093 -1.413 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -21.487 17.325 0.956 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -20.382 18.607 0.501 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -22.422 19.831 -0.513 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -23.425 18.630 0.276 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -22.574 19.298 2.492 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -21.419 20.395 1.760 1.00 10.00 H new ATOM 0 HE ARG A 80 -24.141 20.973 0.892 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -21.937 21.388 3.634 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -22.699 22.889 4.169 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -25.085 22.937 1.541 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -24.488 23.770 2.980 1.00 10.00 H new TER 1239 ARG A 80