USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= 1.07 F(o=0.75,f=2) USER MOD Set 1.3: A 84 CYS SG : rot 180:sc= 0.888 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.513 F(o=-1.7,f=-0.51) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= 0.22 (180deg=-0.576) USER MOD Single : A 18 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.7!) USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= -0.0249 (180deg=-0.492) USER MOD Single : A 35 CYS SG : rot -114:sc= 0.066 USER MOD Single : A 37 SER OG : rot 180:sc= -0.564 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -0.224 (180deg=-1.32!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -108:sc= -0.0102 (180deg=-0.132) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.594 F(o=-1.3,f=-0.59) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 58 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.95) USER MOD Single : A 60 MET CE :methyl -132:sc=-0.000409 (180deg=-0.037) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 164:sc= -4.52! (180deg=-5.83!) USER MOD Single : A 81 MET CE :methyl -126:sc= -0.691 (180deg=-4.34!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 84.329 1.602 3.057 1.00 0.00 N ATOM 45 CA ILE A 4 83.986 0.355 3.797 1.00 0.00 C ATOM 46 C ILE A 4 82.599 -0.147 3.382 1.00 0.00 C ATOM 47 O ILE A 4 82.272 -1.304 3.548 1.00 0.00 O ATOM 48 CB ILE A 4 83.993 0.760 5.272 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.749 1.599 5.577 1.00 0.00 C ATOM 50 CG2 ILE A 4 85.246 1.583 5.568 1.00 0.00 C ATOM 51 CD1 ILE A 4 82.670 1.865 7.081 1.00 0.00 C ATOM 0 HA ILE A 4 84.687 -0.454 3.591 1.00 0.00 H new ATOM 0 HB ILE A 4 83.990 -0.135 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 4 82.790 2.542 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 4 81.853 1.076 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 4 85.252 1.872 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 4 86.132 0.987 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 4 85.249 2.478 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 4 81.785 2.462 7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 4 82.609 0.917 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 4 83.560 2.406 7.402 1.00 0.00 H new ATOM 63 N TYR A 5 81.782 0.717 2.844 1.00 0.00 N ATOM 64 CA TYR A 5 80.417 0.290 2.420 1.00 0.00 C ATOM 65 C TYR A 5 80.485 -0.447 1.080 1.00 0.00 C ATOM 66 O TYR A 5 79.672 -1.303 0.791 1.00 0.00 O ATOM 67 CB TYR A 5 79.621 1.587 2.282 1.00 0.00 C ATOM 68 CG TYR A 5 79.694 2.364 3.573 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.849 2.030 4.639 1.00 0.00 C ATOM 70 CD2 TYR A 5 80.606 3.418 3.707 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.917 2.751 5.838 1.00 0.00 C ATOM 72 CE2 TYR A 5 80.673 4.138 4.906 1.00 0.00 C ATOM 73 CZ TYR A 5 79.829 3.804 5.971 1.00 0.00 C ATOM 74 OH TYR A 5 79.896 4.515 7.152 1.00 0.00 O ATOM 0 H TYR A 5 82.000 1.700 2.680 1.00 0.00 H new ATOM 0 HA TYR A 5 79.958 -0.394 3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 5 80.020 2.185 1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 5 78.582 1.364 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 5 78.145 1.217 4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 5 81.258 3.676 2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 5 78.265 2.494 6.660 1.00 0.00 H new ATOM 0 HE2 TYR A 5 81.376 4.951 5.009 1.00 0.00 H new ATOM 0 HH TYR A 5 80.582 5.211 7.077 1.00 0.00 H new ATOM 84 N LYS A 6 81.445 -0.123 0.260 1.00 0.00 N ATOM 85 CA LYS A 6 81.562 -0.806 -1.061 1.00 0.00 C ATOM 86 C LYS A 6 81.477 -2.324 -0.879 1.00 0.00 C ATOM 87 O LYS A 6 80.789 -3.009 -1.610 1.00 0.00 O ATOM 88 CB LYS A 6 82.936 -0.406 -1.595 1.00 0.00 C ATOM 89 CG LYS A 6 82.980 -0.625 -3.108 1.00 0.00 C ATOM 90 CD LYS A 6 84.222 0.055 -3.687 1.00 0.00 C ATOM 91 CE LYS A 6 85.186 -1.009 -4.216 1.00 0.00 C ATOM 92 NZ LYS A 6 86.189 -0.252 -5.017 1.00 0.00 N ATOM 0 H LYS A 6 82.155 0.585 0.446 1.00 0.00 H new ATOM 0 HA LYS A 6 80.762 -0.522 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 6 83.138 0.640 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.713 -0.996 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 6 82.999 -1.692 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 6 82.081 -0.219 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 6 83.937 0.734 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 6 84.712 0.656 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 6 85.661 -1.553 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 6 84.665 -1.745 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 86.886 -0.913 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 85.708 0.250 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 86.673 0.436 -4.406 1.00 0.00 H new ATOM 106 N ALA A 7 82.169 -2.854 0.091 1.00 0.00 N ATOM 107 CA ALA A 7 82.125 -4.327 0.319 1.00 0.00 C ATOM 108 C ALA A 7 80.727 -4.746 0.780 1.00 0.00 C ATOM 109 O ALA A 7 80.311 -5.871 0.590 1.00 0.00 O ATOM 110 CB ALA A 7 83.155 -4.589 1.418 1.00 0.00 C ATOM 0 H ALA A 7 82.763 -2.332 0.736 1.00 0.00 H new ATOM 0 HA ALA A 7 82.344 -4.893 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 7 83.183 -5.655 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 7 84.139 -4.264 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.879 -4.035 2.315 1.00 0.00 H new ATOM 116 N ALA A 8 79.997 -3.847 1.384 1.00 0.00 N ATOM 117 CA ALA A 8 78.625 -4.193 1.855 1.00 0.00 C ATOM 118 C ALA A 8 77.819 -4.816 0.712 1.00 0.00 C ATOM 119 O ALA A 8 77.188 -5.842 0.871 1.00 0.00 O ATOM 120 CB ALA A 8 78.007 -2.864 2.288 1.00 0.00 C ATOM 0 H ALA A 8 80.291 -2.889 1.571 1.00 0.00 H new ATOM 0 HA ALA A 8 78.636 -4.918 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.993 -3.035 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 8 78.607 -2.426 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.980 -2.181 1.439 1.00 0.00 H new ATOM 126 N VAL A 9 77.837 -4.202 -0.439 1.00 0.00 N ATOM 127 CA VAL A 9 77.074 -4.757 -1.593 1.00 0.00 C ATOM 128 C VAL A 9 77.791 -5.988 -2.153 1.00 0.00 C ATOM 129 O VAL A 9 77.178 -6.877 -2.711 1.00 0.00 O ATOM 130 CB VAL A 9 77.047 -3.633 -2.629 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.247 -4.084 -3.852 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.389 -2.395 -2.018 1.00 0.00 C ATOM 0 H VAL A 9 78.347 -3.340 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 9 76.070 -5.074 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 9 78.066 -3.393 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.228 -3.282 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 9 76.715 -4.967 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.227 -4.324 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.369 -1.592 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.370 -2.636 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.959 -2.073 -1.146 1.00 0.00 H new ATOM 142 N GLU A 10 79.086 -6.048 -2.007 1.00 0.00 N ATOM 143 CA GLU A 10 79.843 -7.222 -2.530 1.00 0.00 C ATOM 144 C GLU A 10 79.560 -8.457 -1.671 1.00 0.00 C ATOM 145 O GLU A 10 79.457 -9.560 -2.168 1.00 0.00 O ATOM 146 CB GLU A 10 81.316 -6.822 -2.428 1.00 0.00 C ATOM 147 CG GLU A 10 82.017 -7.112 -3.757 1.00 0.00 C ATOM 148 CD GLU A 10 81.959 -8.613 -4.048 1.00 0.00 C ATOM 149 OE1 GLU A 10 81.987 -9.382 -3.101 1.00 0.00 O ATOM 150 OE2 GLU A 10 81.887 -8.969 -5.213 1.00 0.00 O ATOM 0 H GLU A 10 79.653 -5.335 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 10 79.560 -7.475 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.400 -5.763 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.799 -7.374 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.537 -6.556 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.054 -6.779 -3.714 1.00 0.00 H new ATOM 157 N GLN A 11 79.433 -8.281 -0.384 1.00 0.00 N ATOM 158 CA GLN A 11 79.156 -9.445 0.505 1.00 0.00 C ATOM 159 C GLN A 11 77.922 -10.203 0.009 1.00 0.00 C ATOM 160 O GLN A 11 77.793 -11.396 0.205 1.00 0.00 O ATOM 161 CB GLN A 11 78.895 -8.840 1.884 1.00 0.00 C ATOM 162 CG GLN A 11 80.187 -8.861 2.704 1.00 0.00 C ATOM 163 CD GLN A 11 79.857 -9.147 4.170 1.00 0.00 C ATOM 164 OE1 GLN A 11 79.235 -10.143 4.482 1.00 0.00 O ATOM 165 NE2 GLN A 11 80.253 -8.309 5.090 1.00 0.00 N ATOM 0 H GLN A 11 79.509 -7.381 0.090 1.00 0.00 H new ATOM 0 HA GLN A 11 79.982 -10.156 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.534 -7.817 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 11 78.116 -9.403 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 11 80.863 -9.623 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.702 -7.904 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.775 -7.473 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 11 80.040 -8.491 6.071 1.00 0.00 H new ATOM 174 N LEU A 12 77.015 -9.520 -0.634 1.00 0.00 N ATOM 175 CA LEU A 12 75.789 -10.201 -1.142 1.00 0.00 C ATOM 176 C LEU A 12 76.146 -11.134 -2.303 1.00 0.00 C ATOM 177 O LEU A 12 77.015 -10.844 -3.100 1.00 0.00 O ATOM 178 CB LEU A 12 74.879 -9.071 -1.625 1.00 0.00 C ATOM 179 CG LEU A 12 74.380 -8.267 -0.424 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.395 -7.197 -0.900 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.676 -9.206 0.559 1.00 0.00 C ATOM 0 H LEU A 12 77.069 -8.520 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 12 75.310 -10.812 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.422 -8.421 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.034 -9.482 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 12 75.225 -7.788 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.039 -6.624 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 12 73.894 -6.529 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.549 -7.675 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.319 -8.635 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.830 -9.683 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.376 -9.969 0.898 1.00 0.00 H new ATOM 193 N THR A 13 75.479 -12.250 -2.404 1.00 0.00 N ATOM 194 CA THR A 13 75.779 -13.199 -3.514 1.00 0.00 C ATOM 195 C THR A 13 74.865 -12.918 -4.710 1.00 0.00 C ATOM 196 O THR A 13 74.115 -11.963 -4.718 1.00 0.00 O ATOM 197 CB THR A 13 75.494 -14.587 -2.935 1.00 0.00 C ATOM 198 OG1 THR A 13 74.177 -14.613 -2.402 1.00 0.00 O ATOM 199 CG2 THR A 13 76.501 -14.895 -1.826 1.00 0.00 C ATOM 0 H THR A 13 74.740 -12.546 -1.767 1.00 0.00 H new ATOM 0 HA THR A 13 76.805 -13.109 -3.870 1.00 0.00 H new ATOM 0 HB THR A 13 75.584 -15.336 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 13 73.991 -15.501 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 13 76.298 -15.883 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.511 -14.873 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 13 76.413 -14.148 -1.037 1.00 0.00 H new ATOM 207 N GLU A 14 74.922 -13.741 -5.721 1.00 0.00 N ATOM 208 CA GLU A 14 74.055 -13.518 -6.913 1.00 0.00 C ATOM 209 C GLU A 14 72.591 -13.795 -6.558 1.00 0.00 C ATOM 210 O GLU A 14 71.705 -13.033 -6.891 1.00 0.00 O ATOM 211 CB GLU A 14 74.552 -14.516 -7.959 1.00 0.00 C ATOM 212 CG GLU A 14 73.531 -14.619 -9.094 1.00 0.00 C ATOM 213 CD GLU A 14 74.106 -15.478 -10.221 1.00 0.00 C ATOM 214 OE1 GLU A 14 75.240 -15.238 -10.603 1.00 0.00 O ATOM 215 OE2 GLU A 14 73.404 -16.362 -10.683 1.00 0.00 O ATOM 0 H GLU A 14 75.531 -14.558 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 14 74.106 -12.491 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.517 -14.196 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 14 74.702 -15.494 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.604 -15.058 -8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 14 73.286 -13.625 -9.469 1.00 0.00 H new ATOM 222 N GLU A 15 72.331 -14.881 -5.883 1.00 0.00 N ATOM 223 CA GLU A 15 70.926 -15.207 -5.506 1.00 0.00 C ATOM 224 C GLU A 15 70.401 -14.183 -4.497 1.00 0.00 C ATOM 225 O GLU A 15 69.214 -13.939 -4.404 1.00 0.00 O ATOM 226 CB GLU A 15 70.999 -16.597 -4.874 1.00 0.00 C ATOM 227 CG GLU A 15 72.081 -16.612 -3.793 1.00 0.00 C ATOM 228 CD GLU A 15 73.097 -17.714 -4.101 1.00 0.00 C ATOM 229 OE1 GLU A 15 72.858 -18.842 -3.702 1.00 0.00 O ATOM 230 OE2 GLU A 15 74.096 -17.411 -4.732 1.00 0.00 O ATOM 0 H GLU A 15 73.031 -15.557 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 15 70.251 -15.185 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 70.034 -16.862 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.222 -17.343 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 15 72.580 -15.644 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 15 71.630 -16.781 -2.815 1.00 0.00 H new ATOM 237 N GLN A 16 71.277 -13.582 -3.740 1.00 0.00 N ATOM 238 CA GLN A 16 70.829 -12.573 -2.738 1.00 0.00 C ATOM 239 C GLN A 16 70.548 -11.234 -3.426 1.00 0.00 C ATOM 240 O GLN A 16 69.533 -10.607 -3.196 1.00 0.00 O ATOM 241 CB GLN A 16 72.000 -12.439 -1.761 1.00 0.00 C ATOM 242 CG GLN A 16 71.756 -13.332 -0.544 1.00 0.00 C ATOM 243 CD GLN A 16 72.542 -12.791 0.652 1.00 0.00 C ATOM 244 OE1 GLN A 16 72.177 -11.666 1.202 1.00 0.00 O flip ATOM 245 NE2 GLN A 16 73.498 -13.400 1.090 1.00 0.00 N flip ATOM 0 H GLN A 16 72.283 -13.746 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 16 69.909 -12.870 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.931 -12.722 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 16 72.108 -11.401 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 16 70.692 -13.363 -0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.064 -14.355 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 16 73.783 -14.280 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 16 74.015 -13.031 1.888 1.00 0.00 H new ATOM 254 N LYS A 17 71.442 -10.792 -4.269 1.00 0.00 N ATOM 255 CA LYS A 17 71.227 -9.495 -4.973 1.00 0.00 C ATOM 256 C LYS A 17 69.884 -9.507 -5.709 1.00 0.00 C ATOM 257 O LYS A 17 69.166 -8.527 -5.728 1.00 0.00 O ATOM 258 CB LYS A 17 72.383 -9.391 -5.970 1.00 0.00 C ATOM 259 CG LYS A 17 72.684 -7.917 -6.251 1.00 0.00 C ATOM 260 CD LYS A 17 73.910 -7.483 -5.444 1.00 0.00 C ATOM 261 CE LYS A 17 75.171 -7.681 -6.286 1.00 0.00 C ATOM 262 NZ LYS A 17 76.294 -7.666 -5.308 1.00 0.00 N ATOM 0 H LYS A 17 72.311 -11.273 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 17 71.203 -8.650 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.269 -9.884 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.125 -9.904 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.865 -7.768 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.824 -7.302 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.815 -6.437 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.978 -8.065 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.136 -8.623 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 17 75.281 -6.887 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 77.091 -7.127 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.978 -7.220 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 76.599 -8.641 -5.114 1.00 0.00 H new ATOM 276 N ASN A 18 69.540 -10.610 -6.314 1.00 0.00 N ATOM 277 CA ASN A 18 68.245 -10.690 -7.047 1.00 0.00 C ATOM 278 C ASN A 18 67.077 -10.530 -6.067 1.00 0.00 C ATOM 279 O ASN A 18 66.042 -9.990 -6.405 1.00 0.00 O ATOM 280 CB ASN A 18 68.250 -12.085 -7.681 1.00 0.00 C ATOM 281 CG ASN A 18 66.817 -12.540 -7.966 1.00 0.00 C ATOM 282 OD1 ASN A 18 65.973 -11.743 -8.324 1.00 0.00 O ATOM 283 ND2 ASN A 18 66.509 -13.799 -7.819 1.00 0.00 N ATOM 0 H ASN A 18 70.101 -11.462 -6.333 1.00 0.00 H new ATOM 0 HA ASN A 18 68.130 -9.906 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.826 -12.070 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 18 68.739 -12.794 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 18 65.558 -14.116 -8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 18 67.220 -14.466 -7.518 1.00 0.00 H new ATOM 290 N GLU A 19 67.237 -10.992 -4.858 1.00 0.00 N ATOM 291 CA GLU A 19 66.137 -10.865 -3.859 1.00 0.00 C ATOM 292 C GLU A 19 65.749 -9.394 -3.683 1.00 0.00 C ATOM 293 O GLU A 19 64.601 -9.023 -3.833 1.00 0.00 O ATOM 294 CB GLU A 19 66.718 -11.424 -2.561 1.00 0.00 C ATOM 295 CG GLU A 19 65.649 -12.236 -1.830 1.00 0.00 C ATOM 296 CD GLU A 19 66.265 -12.899 -0.596 1.00 0.00 C ATOM 297 OE1 GLU A 19 67.316 -13.502 -0.735 1.00 0.00 O ATOM 298 OE2 GLU A 19 65.674 -12.791 0.466 1.00 0.00 O ATOM 0 H GLU A 19 68.081 -11.452 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 19 65.236 -11.396 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 67.582 -12.053 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 67.068 -10.610 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.824 -11.588 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 19 65.235 -12.994 -2.495 1.00 0.00 H new ATOM 305 N PHE A 20 66.695 -8.555 -3.362 1.00 0.00 N ATOM 306 CA PHE A 20 66.381 -7.110 -3.174 1.00 0.00 C ATOM 307 C PHE A 20 65.826 -6.513 -4.470 1.00 0.00 C ATOM 308 O PHE A 20 64.960 -5.661 -4.450 1.00 0.00 O ATOM 309 CB PHE A 20 67.717 -6.460 -2.812 1.00 0.00 C ATOM 310 CG PHE A 20 67.841 -6.365 -1.310 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.752 -5.931 -0.544 1.00 0.00 C ATOM 312 CD2 PHE A 20 69.045 -6.712 -0.683 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.867 -5.843 0.849 1.00 0.00 C ATOM 314 CE2 PHE A 20 69.158 -6.625 0.710 1.00 0.00 C ATOM 315 CZ PHE A 20 68.069 -6.190 1.476 1.00 0.00 C ATOM 0 H PHE A 20 67.673 -8.808 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 20 65.626 -6.949 -2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.541 -7.046 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.782 -5.467 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.824 -5.664 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.885 -7.046 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 20 66.028 -5.507 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 20 70.085 -6.893 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 20 68.157 -6.122 2.550 1.00 0.00 H new ATOM 325 N LYS A 21 66.316 -6.953 -5.596 1.00 0.00 N ATOM 326 CA LYS A 21 65.814 -6.410 -6.891 1.00 0.00 C ATOM 327 C LYS A 21 64.305 -6.644 -7.015 1.00 0.00 C ATOM 328 O LYS A 21 63.571 -5.795 -7.480 1.00 0.00 O ATOM 329 CB LYS A 21 66.568 -7.191 -7.967 1.00 0.00 C ATOM 330 CG LYS A 21 66.219 -6.628 -9.346 1.00 0.00 C ATOM 331 CD LYS A 21 67.161 -7.223 -10.395 1.00 0.00 C ATOM 332 CE LYS A 21 66.340 -7.810 -11.545 1.00 0.00 C ATOM 333 NZ LYS A 21 65.657 -8.999 -10.963 1.00 0.00 N ATOM 0 H LYS A 21 67.042 -7.665 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 21 65.976 -5.336 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 21 67.642 -7.122 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.304 -8.247 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.185 -6.864 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 21 66.305 -5.541 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 21 67.835 -6.454 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 21 67.781 -7.998 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.618 -7.087 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 21 66.979 -8.092 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.707 -9.791 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 66.126 -9.268 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 64.661 -8.769 -10.773 1.00 0.00 H new ATOM 347 N ALA A 22 63.840 -7.792 -6.604 1.00 0.00 N ATOM 348 CA ALA A 22 62.381 -8.086 -6.701 1.00 0.00 C ATOM 349 C ALA A 22 61.593 -7.230 -5.702 1.00 0.00 C ATOM 350 O ALA A 22 60.379 -7.228 -5.697 1.00 0.00 O ATOM 351 CB ALA A 22 62.254 -9.568 -6.353 1.00 0.00 C ATOM 0 H ALA A 22 64.407 -8.540 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 22 61.982 -7.861 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.206 -9.865 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 22 62.832 -10.159 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.633 -9.739 -5.345 1.00 0.00 H new ATOM 357 N ALA A 23 62.273 -6.504 -4.858 1.00 0.00 N ATOM 358 CA ALA A 23 61.557 -5.651 -3.864 1.00 0.00 C ATOM 359 C ALA A 23 61.896 -4.176 -4.090 1.00 0.00 C ATOM 360 O ALA A 23 61.359 -3.299 -3.441 1.00 0.00 O ATOM 361 CB ALA A 23 62.069 -6.116 -2.501 1.00 0.00 C ATOM 0 H ALA A 23 63.291 -6.463 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 23 60.474 -5.743 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.588 -5.535 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.836 -7.172 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.148 -5.973 -2.450 1.00 0.00 H new ATOM 367 N PHE A 24 62.782 -3.894 -5.005 1.00 0.00 N ATOM 368 CA PHE A 24 63.155 -2.475 -5.271 1.00 0.00 C ATOM 369 C PHE A 24 62.665 -2.052 -6.659 1.00 0.00 C ATOM 370 O PHE A 24 62.102 -0.989 -6.832 1.00 0.00 O ATOM 371 CB PHE A 24 64.683 -2.454 -5.208 1.00 0.00 C ATOM 372 CG PHE A 24 65.190 -1.091 -5.615 1.00 0.00 C ATOM 373 CD1 PHE A 24 65.164 -0.708 -6.961 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.689 -0.212 -4.647 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.636 0.554 -7.340 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.162 1.051 -5.025 1.00 0.00 C ATOM 377 CZ PHE A 24 66.135 1.434 -6.372 1.00 0.00 C ATOM 0 H PHE A 24 63.264 -4.585 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 24 62.708 -1.785 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 24 65.018 -2.691 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 24 65.094 -3.218 -5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.779 -1.387 -7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.709 -0.508 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.615 0.849 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.547 1.729 -4.278 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.499 2.408 -6.664 1.00 0.00 H new ATOM 387 N ASP A 25 62.873 -2.877 -7.649 1.00 0.00 N ATOM 388 CA ASP A 25 62.417 -2.523 -9.024 1.00 0.00 C ATOM 389 C ASP A 25 60.889 -2.429 -9.071 1.00 0.00 C ATOM 390 O ASP A 25 60.324 -1.763 -9.914 1.00 0.00 O ATOM 391 CB ASP A 25 62.910 -3.667 -9.912 1.00 0.00 C ATOM 392 CG ASP A 25 62.564 -3.369 -11.371 1.00 0.00 C ATOM 393 OD1 ASP A 25 61.390 -3.405 -11.701 1.00 0.00 O ATOM 394 OD2 ASP A 25 63.479 -3.109 -12.135 1.00 0.00 O ATOM 0 H ASP A 25 63.339 -3.781 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 25 62.803 -1.557 -9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 25 63.987 -3.789 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 25 62.450 -4.605 -9.603 1.00 0.00 H new ATOM 399 N ILE A 26 60.217 -3.096 -8.171 1.00 0.00 N ATOM 400 CA ILE A 26 58.727 -3.048 -8.169 1.00 0.00 C ATOM 401 C ILE A 26 58.234 -1.656 -7.759 1.00 0.00 C ATOM 402 O ILE A 26 57.103 -1.290 -8.013 1.00 0.00 O ATOM 403 CB ILE A 26 58.298 -4.090 -7.139 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.811 -5.467 -7.573 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.770 -4.111 -7.046 1.00 0.00 C ATOM 406 CD1 ILE A 26 58.070 -6.561 -6.803 1.00 0.00 C ATOM 0 H ILE A 26 60.635 -3.671 -7.439 1.00 0.00 H new ATOM 0 HA ILE A 26 58.311 -3.251 -9.156 1.00 0.00 H new ATOM 0 HB ILE A 26 58.714 -3.840 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 26 58.663 -5.599 -8.645 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.883 -5.541 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.460 -4.854 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.410 -3.128 -6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 26 56.350 -4.366 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 26 58.438 -7.538 -7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.241 -6.433 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 57.002 -6.492 -7.010 1.00 0.00 H new ATOM 418 N PHE A 27 59.069 -0.878 -7.127 1.00 0.00 N ATOM 419 CA PHE A 27 58.637 0.486 -6.704 1.00 0.00 C ATOM 420 C PHE A 27 59.610 1.543 -7.235 1.00 0.00 C ATOM 421 O PHE A 27 59.896 2.520 -6.573 1.00 0.00 O ATOM 422 CB PHE A 27 58.668 0.455 -5.175 1.00 0.00 C ATOM 423 CG PHE A 27 57.510 -0.366 -4.664 1.00 0.00 C ATOM 424 CD1 PHE A 27 57.545 -1.762 -4.766 1.00 0.00 C ATOM 425 CD2 PHE A 27 56.405 0.266 -4.086 1.00 0.00 C ATOM 426 CE1 PHE A 27 56.471 -2.525 -4.291 1.00 0.00 C ATOM 427 CE2 PHE A 27 55.331 -0.495 -3.611 1.00 0.00 C ATOM 428 CZ PHE A 27 55.364 -1.892 -3.713 1.00 0.00 C ATOM 0 H PHE A 27 60.029 -1.126 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 27 57.650 0.741 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.610 0.030 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 27 58.611 1.469 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 27 58.400 -2.250 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 27 56.380 1.343 -4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 27 56.497 -3.602 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.477 -0.006 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.536 -2.480 -3.346 1.00 0.00 H new ATOM 438 N VAL A 28 60.118 1.359 -8.421 1.00 0.00 N ATOM 439 CA VAL A 28 61.069 2.362 -8.981 1.00 0.00 C ATOM 440 C VAL A 28 60.305 3.520 -9.619 1.00 0.00 C ATOM 441 O VAL A 28 60.876 4.531 -9.972 1.00 0.00 O ATOM 442 CB VAL A 28 61.887 1.603 -10.027 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.577 2.597 -10.962 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.944 0.749 -9.324 1.00 0.00 C ATOM 0 H VAL A 28 59.918 0.562 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 28 61.708 2.797 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 28 61.224 0.961 -10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.159 2.053 -11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.825 3.206 -11.464 1.00 0.00 H new ATOM 0 HG13 VAL A 28 63.239 3.241 -10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.528 0.207 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.604 1.393 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 28 62.454 0.038 -8.659 1.00 0.00 H new ATOM 454 N LEU A 29 59.019 3.372 -9.754 1.00 0.00 N ATOM 455 CA LEU A 29 58.178 4.451 -10.363 1.00 0.00 C ATOM 456 C LEU A 29 58.957 5.202 -11.447 1.00 0.00 C ATOM 457 O LEU A 29 59.170 6.394 -11.356 1.00 0.00 O ATOM 458 CB LEU A 29 57.839 5.388 -9.203 1.00 0.00 C ATOM 459 CG LEU A 29 56.352 5.267 -8.865 1.00 0.00 C ATOM 460 CD1 LEU A 29 56.189 4.533 -7.533 1.00 0.00 C ATOM 461 CD2 LEU A 29 55.739 6.665 -8.754 1.00 0.00 C ATOM 0 H LEU A 29 58.503 2.540 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 29 57.286 4.049 -10.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 58.442 5.137 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 29 58.079 6.417 -9.471 1.00 0.00 H new ATOM 0 HG LEU A 29 55.845 4.708 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 29 55.129 4.447 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 29 56.626 3.537 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 29 56.696 5.091 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 29 54.679 6.580 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 29 56.246 7.223 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 29 55.854 7.189 -9.703 1.00 0.00 H new ATOM 473 N GLY A 30 59.392 4.514 -12.467 1.00 0.00 N ATOM 474 CA GLY A 30 60.162 5.194 -13.545 1.00 0.00 C ATOM 475 C GLY A 30 61.477 5.718 -12.965 1.00 0.00 C ATOM 476 O GLY A 30 62.489 5.046 -12.990 1.00 0.00 O ATOM 0 H GLY A 30 59.248 3.513 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.361 4.499 -14.361 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.580 6.016 -13.961 1.00 0.00 H new ATOM 480 N ALA A 31 61.469 6.910 -12.435 1.00 0.00 N ATOM 481 CA ALA A 31 62.713 7.473 -11.847 1.00 0.00 C ATOM 482 C ALA A 31 63.803 7.580 -12.912 1.00 0.00 C ATOM 483 O ALA A 31 63.710 6.995 -13.973 1.00 0.00 O ATOM 484 CB ALA A 31 63.120 6.482 -10.758 1.00 0.00 C ATOM 0 H ALA A 31 60.652 7.518 -12.385 1.00 0.00 H new ATOM 0 HA ALA A 31 62.563 8.477 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 31 64.034 6.828 -10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 31 62.323 6.408 -10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.294 5.503 -11.204 1.00 0.00 H new ATOM 490 N GLU A 32 64.829 8.327 -12.630 1.00 0.00 N ATOM 491 CA GLU A 32 65.941 8.491 -13.613 1.00 0.00 C ATOM 492 C GLU A 32 66.232 7.165 -14.320 1.00 0.00 C ATOM 493 O GLU A 32 66.289 7.099 -15.532 1.00 0.00 O ATOM 494 CB GLU A 32 67.145 8.930 -12.777 1.00 0.00 C ATOM 495 CG GLU A 32 68.407 8.899 -13.640 1.00 0.00 C ATOM 496 CD GLU A 32 69.332 10.047 -13.232 1.00 0.00 C ATOM 497 OE1 GLU A 32 68.871 11.177 -13.221 1.00 0.00 O ATOM 498 OE2 GLU A 32 70.485 9.778 -12.938 1.00 0.00 O ATOM 0 H GLU A 32 64.950 8.837 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 32 65.697 9.214 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 32 66.983 9.935 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 32 67.264 8.270 -11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 68.919 7.945 -13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 68.142 8.988 -14.694 1.00 0.00 H new ATOM 505 N ASP A 33 66.417 6.108 -13.577 1.00 0.00 N ATOM 506 CA ASP A 33 66.701 4.792 -14.218 1.00 0.00 C ATOM 507 C ASP A 33 66.921 3.712 -13.155 1.00 0.00 C ATOM 508 O ASP A 33 68.034 3.293 -12.903 1.00 0.00 O ATOM 509 CB ASP A 33 67.980 5.016 -15.027 1.00 0.00 C ATOM 510 CG ASP A 33 67.867 4.293 -16.370 1.00 0.00 C ATOM 511 OD1 ASP A 33 66.869 3.623 -16.578 1.00 0.00 O ATOM 512 OD2 ASP A 33 68.779 4.424 -17.170 1.00 0.00 O ATOM 0 H ASP A 33 66.384 6.098 -12.558 1.00 0.00 H new ATOM 0 HA ASP A 33 65.874 4.453 -14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 33 68.139 6.082 -15.188 1.00 0.00 H new ATOM 0 HB3 ASP A 33 68.843 4.645 -14.474 1.00 0.00 H new ATOM 517 N GLY A 34 65.868 3.252 -12.537 1.00 0.00 N ATOM 518 CA GLY A 34 66.016 2.192 -11.498 1.00 0.00 C ATOM 519 C GLY A 34 66.150 2.832 -10.114 1.00 0.00 C ATOM 520 O GLY A 34 66.941 2.402 -9.297 1.00 0.00 O ATOM 0 H GLY A 34 64.912 3.564 -12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.152 1.528 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.893 1.581 -11.712 1.00 0.00 H new ATOM 524 N CYS A 35 65.382 3.850 -9.841 1.00 0.00 N ATOM 525 CA CYS A 35 65.465 4.507 -8.505 1.00 0.00 C ATOM 526 C CYS A 35 64.064 4.642 -7.902 1.00 0.00 C ATOM 527 O CYS A 35 63.089 4.813 -8.608 1.00 0.00 O ATOM 528 CB CYS A 35 66.074 5.884 -8.775 1.00 0.00 C ATOM 529 SG CYS A 35 67.586 5.693 -9.751 1.00 0.00 S ATOM 0 H CYS A 35 64.701 4.255 -10.483 1.00 0.00 H new ATOM 0 HA CYS A 35 66.063 3.935 -7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.360 6.511 -9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 35 66.297 6.386 -7.834 1.00 0.00 H new ATOM 0 HG CYS A 35 68.610 6.068 -9.043 1.00 0.00 H new ATOM 535 N ILE A 36 63.951 4.564 -6.603 1.00 0.00 N ATOM 536 CA ILE A 36 62.608 4.683 -5.966 1.00 0.00 C ATOM 537 C ILE A 36 62.521 5.969 -5.140 1.00 0.00 C ATOM 538 O ILE A 36 63.516 6.607 -4.860 1.00 0.00 O ATOM 539 CB ILE A 36 62.486 3.456 -5.062 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.497 3.561 -3.918 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.768 2.191 -5.876 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.340 2.357 -2.986 1.00 0.00 C ATOM 0 H ILE A 36 64.728 4.423 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 36 61.807 4.727 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 36 61.477 3.407 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.511 3.596 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.340 4.486 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.681 1.316 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 36 62.048 2.114 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.776 2.240 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.060 2.431 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.330 2.343 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.518 1.438 -3.545 1.00 0.00 H new ATOM 554 N SER A 37 61.336 6.351 -4.748 1.00 0.00 N ATOM 555 CA SER A 37 61.182 7.595 -3.941 1.00 0.00 C ATOM 556 C SER A 37 61.607 7.345 -2.491 1.00 0.00 C ATOM 557 O SER A 37 61.528 6.238 -1.993 1.00 0.00 O ATOM 558 CB SER A 37 59.692 7.929 -4.011 1.00 0.00 C ATOM 559 OG SER A 37 59.275 8.478 -2.767 1.00 0.00 O ATOM 0 H SER A 37 60.468 5.856 -4.952 1.00 0.00 H new ATOM 0 HA SER A 37 61.802 8.409 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.504 8.639 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.116 7.031 -4.237 1.00 0.00 H new ATOM 0 HG SER A 37 58.320 8.695 -2.809 1.00 0.00 H new ATOM 565 N THR A 38 62.059 8.363 -1.812 1.00 0.00 N ATOM 566 CA THR A 38 62.490 8.183 -0.395 1.00 0.00 C ATOM 567 C THR A 38 61.282 7.865 0.490 1.00 0.00 C ATOM 568 O THR A 38 61.406 7.230 1.518 1.00 0.00 O ATOM 569 CB THR A 38 63.108 9.524 0.003 1.00 0.00 C ATOM 570 OG1 THR A 38 62.363 10.580 -0.587 1.00 0.00 O ATOM 571 CG2 THR A 38 64.558 9.586 -0.483 1.00 0.00 C ATOM 0 H THR A 38 62.149 9.312 -2.176 1.00 0.00 H new ATOM 0 HA THR A 38 63.193 7.359 -0.279 1.00 0.00 H new ATOM 0 HB THR A 38 63.087 9.626 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.757 11.440 -0.332 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.997 10.542 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 38 65.129 8.776 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.583 9.484 -1.568 1.00 0.00 H new ATOM 579 N LYS A 39 60.116 8.300 0.099 1.00 0.00 N ATOM 580 CA LYS A 39 58.902 8.021 0.920 1.00 0.00 C ATOM 581 C LYS A 39 58.368 6.619 0.614 1.00 0.00 C ATOM 582 O LYS A 39 57.497 6.114 1.294 1.00 0.00 O ATOM 583 CB LYS A 39 57.887 9.084 0.501 1.00 0.00 C ATOM 584 CG LYS A 39 56.912 9.339 1.653 1.00 0.00 C ATOM 585 CD LYS A 39 57.574 10.247 2.691 1.00 0.00 C ATOM 586 CE LYS A 39 57.255 11.709 2.370 1.00 0.00 C ATOM 587 NZ LYS A 39 58.457 12.215 1.652 1.00 0.00 N ATOM 0 H LYS A 39 59.950 8.836 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 39 59.110 8.056 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.401 10.007 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.343 8.754 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.001 9.804 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.621 8.395 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.216 9.997 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 39 58.653 10.091 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 39 56.361 11.792 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.068 12.281 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 58.588 13.225 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 59.296 11.684 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 58.328 12.090 0.628 1.00 0.00 H new ATOM 601 N GLU A 40 58.885 5.987 -0.404 1.00 0.00 N ATOM 602 CA GLU A 40 58.406 4.619 -0.754 1.00 0.00 C ATOM 603 C GLU A 40 59.288 3.564 -0.081 1.00 0.00 C ATOM 604 O GLU A 40 58.825 2.507 0.300 1.00 0.00 O ATOM 605 CB GLU A 40 58.530 4.534 -2.275 1.00 0.00 C ATOM 606 CG GLU A 40 57.703 5.651 -2.915 1.00 0.00 C ATOM 607 CD GLU A 40 56.219 5.414 -2.632 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.897 4.357 -2.113 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.429 6.291 -2.939 1.00 0.00 O ATOM 0 H GLU A 40 59.618 6.358 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 40 57.385 4.439 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.575 4.625 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.182 3.562 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.010 6.618 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.879 5.678 -3.990 1.00 0.00 H new ATOM 616 N LEU A 41 60.553 3.842 0.070 1.00 0.00 N ATOM 617 CA LEU A 41 61.463 2.856 0.722 1.00 0.00 C ATOM 618 C LEU A 41 60.782 2.240 1.946 1.00 0.00 C ATOM 619 O LEU A 41 61.013 1.098 2.290 1.00 0.00 O ATOM 620 CB LEU A 41 62.690 3.668 1.140 1.00 0.00 C ATOM 621 CG LEU A 41 63.910 2.750 1.216 1.00 0.00 C ATOM 622 CD1 LEU A 41 65.057 3.483 1.915 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.554 1.491 2.011 1.00 0.00 C ATOM 0 H LEU A 41 60.997 4.710 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 41 61.727 2.033 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.869 4.470 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.515 4.138 2.108 1.00 0.00 H new ATOM 0 HG LEU A 41 64.216 2.470 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.927 2.829 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.312 4.380 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 64.750 3.763 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.424 0.837 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.248 1.772 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.736 0.967 1.516 1.00 0.00 H new ATOM 635 N GLY A 42 59.940 2.989 2.608 1.00 0.00 N ATOM 636 CA GLY A 42 59.244 2.446 3.808 1.00 0.00 C ATOM 637 C GLY A 42 58.498 1.165 3.429 1.00 0.00 C ATOM 638 O GLY A 42 58.809 0.091 3.905 1.00 0.00 O ATOM 0 H GLY A 42 59.705 3.952 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.966 2.239 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.545 3.184 4.201 1.00 0.00 H new ATOM 642 N LYS A 43 57.518 1.270 2.574 1.00 0.00 N ATOM 643 CA LYS A 43 56.756 0.055 2.164 1.00 0.00 C ATOM 644 C LYS A 43 57.720 -1.023 1.663 1.00 0.00 C ATOM 645 O LYS A 43 57.449 -2.204 1.757 1.00 0.00 O ATOM 646 CB LYS A 43 55.840 0.524 1.033 1.00 0.00 C ATOM 647 CG LYS A 43 54.876 1.589 1.563 1.00 0.00 C ATOM 648 CD LYS A 43 53.816 0.926 2.444 1.00 0.00 C ATOM 649 CE LYS A 43 52.844 1.988 2.960 1.00 0.00 C ATOM 650 NZ LYS A 43 51.539 1.660 2.320 1.00 0.00 N ATOM 0 H LYS A 43 57.212 2.142 2.142 1.00 0.00 H new ATOM 0 HA LYS A 43 56.192 -0.379 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.434 0.931 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.280 -0.320 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 43 55.424 2.337 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 43 54.400 2.109 0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 43 53.276 0.170 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 43 54.291 0.415 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.769 1.959 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.175 2.991 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 50.820 2.346 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 51.639 1.702 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 51.246 0.703 2.601 1.00 0.00 H new ATOM 664 N VAL A 44 58.845 -0.626 1.136 1.00 0.00 N ATOM 665 CA VAL A 44 59.830 -1.626 0.633 1.00 0.00 C ATOM 666 C VAL A 44 60.526 -2.316 1.812 1.00 0.00 C ATOM 667 O VAL A 44 60.851 -3.485 1.756 1.00 0.00 O ATOM 668 CB VAL A 44 60.828 -0.811 -0.196 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.153 -1.568 -0.314 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.254 -0.579 -1.594 1.00 0.00 C ATOM 0 H VAL A 44 59.126 0.349 1.032 1.00 0.00 H new ATOM 0 HA VAL A 44 59.364 -2.414 0.041 1.00 0.00 H new ATOM 0 HB VAL A 44 61.004 0.145 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.856 -0.981 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.566 -1.735 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.982 -2.528 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.962 0.001 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.076 -1.539 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.314 -0.033 -1.515 1.00 0.00 H new ATOM 680 N MET A 45 60.754 -1.600 2.879 1.00 0.00 N ATOM 681 CA MET A 45 61.427 -2.216 4.059 1.00 0.00 C ATOM 682 C MET A 45 60.486 -3.206 4.750 1.00 0.00 C ATOM 683 O MET A 45 60.843 -4.338 5.008 1.00 0.00 O ATOM 684 CB MET A 45 61.747 -1.043 4.987 1.00 0.00 C ATOM 685 CG MET A 45 63.111 -0.458 4.618 1.00 0.00 C ATOM 686 SD MET A 45 64.411 -1.646 5.036 1.00 0.00 S ATOM 687 CE MET A 45 65.714 -0.440 5.384 1.00 0.00 C ATOM 0 H MET A 45 60.504 -0.617 2.985 1.00 0.00 H new ATOM 0 HA MET A 45 62.322 -2.773 3.780 1.00 0.00 H new ATOM 0 HB2 MET A 45 60.976 -0.277 4.902 1.00 0.00 H new ATOM 0 HB3 MET A 45 61.751 -1.377 6.025 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.143 -0.227 3.553 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.274 0.478 5.152 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.627 -0.963 5.668 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.902 0.160 4.494 1.00 0.00 H new ATOM 0 HE3 MET A 45 65.399 0.210 6.200 1.00 0.00 H new ATOM 697 N ARG A 46 59.287 -2.788 5.053 1.00 0.00 N ATOM 698 CA ARG A 46 58.325 -3.708 5.728 1.00 0.00 C ATOM 699 C ARG A 46 58.081 -4.947 4.864 1.00 0.00 C ATOM 700 O ARG A 46 57.617 -5.965 5.338 1.00 0.00 O ATOM 701 CB ARG A 46 57.039 -2.894 5.880 1.00 0.00 C ATOM 702 CG ARG A 46 56.351 -2.761 4.520 1.00 0.00 C ATOM 703 CD ARG A 46 55.087 -1.911 4.668 1.00 0.00 C ATOM 704 NE ARG A 46 55.539 -0.666 5.350 1.00 0.00 N ATOM 705 CZ ARG A 46 54.677 0.077 5.988 1.00 0.00 C ATOM 706 NH1 ARG A 46 53.867 -0.463 6.857 1.00 0.00 N ATOM 707 NH2 ARG A 46 54.625 1.360 5.756 1.00 0.00 N ATOM 0 H ARG A 46 58.932 -1.851 4.863 1.00 0.00 H new ATOM 0 HA ARG A 46 58.697 -4.063 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.371 -3.380 6.591 1.00 0.00 H new ATOM 0 HB3 ARG A 46 57.267 -1.907 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.029 -2.301 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 46 56.096 -3.747 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 46 54.643 -1.691 3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 46 54.329 -2.430 5.255 1.00 0.00 H new ATOM 0 HE ARG A 46 56.522 -0.395 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.908 -1.466 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.193 0.118 7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 46 55.258 1.781 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 46 53.951 1.941 6.254 1.00 0.00 H new ATOM 721 N MET A 47 58.389 -4.870 3.598 1.00 0.00 N ATOM 722 CA MET A 47 58.174 -6.045 2.707 1.00 0.00 C ATOM 723 C MET A 47 59.201 -7.138 3.018 1.00 0.00 C ATOM 724 O MET A 47 58.915 -8.315 2.928 1.00 0.00 O ATOM 725 CB MET A 47 58.373 -5.509 1.288 1.00 0.00 C ATOM 726 CG MET A 47 57.019 -5.107 0.699 1.00 0.00 C ATOM 727 SD MET A 47 56.368 -6.470 -0.299 1.00 0.00 S ATOM 728 CE MET A 47 57.375 -6.176 -1.773 1.00 0.00 C ATOM 0 H MET A 47 58.780 -4.045 3.143 1.00 0.00 H new ATOM 0 HA MET A 47 57.187 -6.489 2.839 1.00 0.00 H new ATOM 0 HB2 MET A 47 59.044 -4.650 1.303 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.842 -6.269 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.321 -4.862 1.499 1.00 0.00 H new ATOM 0 HG3 MET A 47 57.128 -4.213 0.086 1.00 0.00 H new ATOM 0 HE1 MET A 47 56.747 -5.773 -2.568 1.00 0.00 H new ATOM 0 HE2 MET A 47 58.165 -5.463 -1.538 1.00 0.00 H new ATOM 0 HE3 MET A 47 57.820 -7.115 -2.102 1.00 0.00 H new ATOM 738 N LEU A 48 60.393 -6.756 3.384 1.00 0.00 N ATOM 739 CA LEU A 48 61.439 -7.772 3.701 1.00 0.00 C ATOM 740 C LEU A 48 61.293 -8.246 5.149 1.00 0.00 C ATOM 741 O LEU A 48 61.694 -9.340 5.498 1.00 0.00 O ATOM 742 CB LEU A 48 62.768 -7.044 3.507 1.00 0.00 C ATOM 743 CG LEU A 48 62.988 -6.771 2.018 1.00 0.00 C ATOM 744 CD1 LEU A 48 63.404 -5.311 1.823 1.00 0.00 C ATOM 745 CD2 LEU A 48 64.091 -7.691 1.489 1.00 0.00 C ATOM 0 H LEU A 48 60.689 -5.785 3.478 1.00 0.00 H new ATOM 0 HA LEU A 48 61.362 -8.656 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.766 -6.106 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.586 -7.647 3.902 1.00 0.00 H new ATOM 0 HG LEU A 48 62.063 -6.961 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 48 63.561 -5.116 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 48 62.619 -4.656 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 64.329 -5.120 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.249 -7.497 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.016 -7.501 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.795 -8.731 1.628 1.00 0.00 H new ATOM 757 N GLY A 49 60.722 -7.434 5.996 1.00 0.00 N ATOM 758 CA GLY A 49 60.552 -7.839 7.420 1.00 0.00 C ATOM 759 C GLY A 49 60.984 -6.690 8.333 1.00 0.00 C ATOM 760 O GLY A 49 60.590 -6.614 9.481 1.00 0.00 O ATOM 0 H GLY A 49 60.366 -6.507 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.511 -8.099 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.147 -8.728 7.630 1.00 0.00 H new ATOM 764 N GLN A 50 61.791 -5.794 7.834 1.00 0.00 N ATOM 765 CA GLN A 50 62.246 -4.650 8.675 1.00 0.00 C ATOM 766 C GLN A 50 61.088 -3.678 8.917 1.00 0.00 C ATOM 767 O GLN A 50 60.338 -3.354 8.016 1.00 0.00 O ATOM 768 CB GLN A 50 63.351 -3.975 7.861 1.00 0.00 C ATOM 769 CG GLN A 50 64.688 -4.660 8.146 1.00 0.00 C ATOM 770 CD GLN A 50 65.745 -3.602 8.467 1.00 0.00 C ATOM 771 OE1 GLN A 50 66.266 -2.901 7.497 1.00 0.00 O flip ATOM 772 NE2 GLN A 50 66.102 -3.412 9.613 1.00 0.00 N flip ATOM 0 H GLN A 50 62.155 -5.804 6.881 1.00 0.00 H new ATOM 0 HA GLN A 50 62.600 -4.972 9.654 1.00 0.00 H new ATOM 0 HB2 GLN A 50 63.120 -4.033 6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 50 63.411 -2.917 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.584 -5.351 8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 50 64.998 -5.249 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 50 65.695 -3.960 10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 50 66.808 -2.705 9.817 1.00 0.00 H new ATOM 781 N ASN A 51 60.937 -3.208 10.125 1.00 0.00 N ATOM 782 CA ASN A 51 59.827 -2.257 10.420 1.00 0.00 C ATOM 783 C ASN A 51 60.384 -0.968 11.033 1.00 0.00 C ATOM 784 O ASN A 51 59.969 -0.554 12.096 1.00 0.00 O ATOM 785 CB ASN A 51 58.934 -2.986 11.424 1.00 0.00 C ATOM 786 CG ASN A 51 58.082 -4.024 10.689 1.00 0.00 C ATOM 787 OD1 ASN A 51 58.662 -5.055 10.139 1.00 0.00 O flip ATOM 788 ND2 ASN A 51 56.877 -3.893 10.614 1.00 0.00 N flip ATOM 0 H ASN A 51 61.533 -3.441 10.919 1.00 0.00 H new ATOM 0 HA ASN A 51 59.279 -1.971 9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 51 59.545 -3.473 12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.292 -2.273 11.941 1.00 0.00 H new ATOM 0 HD21 ASN A 51 56.424 -3.087 11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 51 56.318 -4.589 10.121 1.00 0.00 H new ATOM 795 N PRO A 52 61.312 -0.377 10.331 1.00 0.00 N ATOM 796 CA PRO A 52 61.940 0.881 10.803 1.00 0.00 C ATOM 797 C PRO A 52 60.963 2.052 10.663 1.00 0.00 C ATOM 798 O PRO A 52 60.202 2.127 9.719 1.00 0.00 O ATOM 799 CB PRO A 52 63.136 1.055 9.871 1.00 0.00 C ATOM 800 CG PRO A 52 62.773 0.303 8.630 1.00 0.00 C ATOM 801 CD PRO A 52 61.858 -0.820 9.044 1.00 0.00 C ATOM 0 HA PRO A 52 62.226 0.850 11.854 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.318 2.108 9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.047 0.659 10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.278 0.959 7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.666 -0.088 8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.069 -0.983 8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.400 -1.761 9.143 1.00 0.00 H new ATOM 809 N THR A 53 60.980 2.965 11.594 1.00 0.00 N ATOM 810 CA THR A 53 60.051 4.130 11.512 1.00 0.00 C ATOM 811 C THR A 53 60.348 4.956 10.258 1.00 0.00 C ATOM 812 O THR A 53 61.478 5.039 9.821 1.00 0.00 O ATOM 813 CB THR A 53 60.333 4.949 12.772 1.00 0.00 C ATOM 814 OG1 THR A 53 60.886 4.103 13.771 1.00 0.00 O ATOM 815 CG2 THR A 53 59.030 5.563 13.286 1.00 0.00 C ATOM 0 H THR A 53 61.595 2.956 12.407 1.00 0.00 H new ATOM 0 HA THR A 53 59.007 3.823 11.450 1.00 0.00 H new ATOM 0 HB THR A 53 61.039 5.745 12.537 1.00 0.00 H new ATOM 0 HG1 THR A 53 61.069 4.627 14.579 1.00 0.00 H new ATOM 0 HG21 THR A 53 59.232 6.147 14.184 1.00 0.00 H new ATOM 0 HG22 THR A 53 58.606 6.212 12.519 1.00 0.00 H new ATOM 0 HG23 THR A 53 58.321 4.769 13.521 1.00 0.00 H new ATOM 823 N PRO A 54 59.313 5.542 9.721 1.00 0.00 N ATOM 824 CA PRO A 54 59.456 6.375 8.501 1.00 0.00 C ATOM 825 C PRO A 54 60.162 7.692 8.835 1.00 0.00 C ATOM 826 O PRO A 54 60.939 8.207 8.055 1.00 0.00 O ATOM 827 CB PRO A 54 58.014 6.621 8.065 1.00 0.00 C ATOM 828 CG PRO A 54 57.203 6.473 9.314 1.00 0.00 C ATOM 829 CD PRO A 54 57.925 5.486 10.193 1.00 0.00 C ATOM 0 HA PRO A 54 60.054 5.901 7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 54 57.896 7.615 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.703 5.904 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.095 7.433 9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.198 6.120 9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.850 5.759 11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.509 4.483 10.093 1.00 0.00 H new ATOM 837 N GLU A 55 59.900 8.240 9.990 1.00 0.00 N ATOM 838 CA GLU A 55 60.561 9.521 10.373 1.00 0.00 C ATOM 839 C GLU A 55 62.079 9.334 10.425 1.00 0.00 C ATOM 840 O GLU A 55 62.837 10.241 10.138 1.00 0.00 O ATOM 841 CB GLU A 55 60.010 9.850 11.760 1.00 0.00 C ATOM 842 CG GLU A 55 60.769 11.046 12.340 1.00 0.00 C ATOM 843 CD GLU A 55 59.779 12.157 12.692 1.00 0.00 C ATOM 844 OE1 GLU A 55 58.658 11.833 13.049 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.158 13.312 12.596 1.00 0.00 O ATOM 0 H GLU A 55 59.258 7.857 10.684 1.00 0.00 H new ATOM 0 HA GLU A 55 60.365 10.320 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 55 58.946 10.077 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 55 60.112 8.987 12.418 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.322 10.743 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.500 11.411 11.618 1.00 0.00 H new ATOM 852 N GLU A 56 62.530 8.164 10.789 1.00 0.00 N ATOM 853 CA GLU A 56 63.999 7.918 10.861 1.00 0.00 C ATOM 854 C GLU A 56 64.584 7.798 9.450 1.00 0.00 C ATOM 855 O GLU A 56 65.592 8.396 9.134 1.00 0.00 O ATOM 856 CB GLU A 56 64.143 6.598 11.616 1.00 0.00 C ATOM 857 CG GLU A 56 64.830 6.848 12.960 1.00 0.00 C ATOM 858 CD GLU A 56 63.776 6.926 14.066 1.00 0.00 C ATOM 859 OE1 GLU A 56 62.616 7.114 13.739 1.00 0.00 O ATOM 860 OE2 GLU A 56 64.148 6.799 15.221 1.00 0.00 O ATOM 0 H GLU A 56 61.944 7.367 11.040 1.00 0.00 H new ATOM 0 HA GLU A 56 64.531 8.730 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.162 6.150 11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.725 5.891 11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.537 6.047 13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.401 7.776 12.921 1.00 0.00 H new ATOM 867 N LEU A 57 63.961 7.027 8.602 1.00 0.00 N ATOM 868 CA LEU A 57 64.483 6.871 7.214 1.00 0.00 C ATOM 869 C LEU A 57 64.837 8.240 6.628 1.00 0.00 C ATOM 870 O LEU A 57 65.687 8.358 5.768 1.00 0.00 O ATOM 871 CB LEU A 57 63.339 6.229 6.429 1.00 0.00 C ATOM 872 CG LEU A 57 63.174 4.773 6.866 1.00 0.00 C ATOM 873 CD1 LEU A 57 61.700 4.375 6.771 1.00 0.00 C ATOM 874 CD2 LEU A 57 64.005 3.870 5.950 1.00 0.00 C ATOM 0 H LEU A 57 63.114 6.498 8.809 1.00 0.00 H new ATOM 0 HA LEU A 57 65.389 6.266 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.413 6.778 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 57 63.545 6.278 5.360 1.00 0.00 H new ATOM 0 HG LEU A 57 63.515 4.662 7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 57 61.583 3.337 7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 57 61.107 5.018 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 61.359 4.486 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 57 63.889 2.831 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 57 63.663 3.982 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 57 65.056 4.153 6.016 1.00 0.00 H new ATOM 886 N GLN A 58 64.190 9.276 7.087 1.00 0.00 N ATOM 887 CA GLN A 58 64.489 10.638 6.557 1.00 0.00 C ATOM 888 C GLN A 58 65.907 11.056 6.952 1.00 0.00 C ATOM 889 O GLN A 58 66.673 11.533 6.139 1.00 0.00 O ATOM 890 CB GLN A 58 63.457 11.555 7.215 1.00 0.00 C ATOM 891 CG GLN A 58 62.731 12.365 6.139 1.00 0.00 C ATOM 892 CD GLN A 58 63.743 13.227 5.380 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.736 13.652 5.936 1.00 0.00 O ATOM 894 NE2 GLN A 58 63.532 13.503 4.121 1.00 0.00 N ATOM 0 H GLN A 58 63.467 9.239 7.806 1.00 0.00 H new ATOM 0 HA GLN A 58 64.435 10.680 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.740 10.963 7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.948 12.226 7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.218 11.695 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.969 12.997 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 62.698 13.146 3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 58 64.201 14.075 3.605 1.00 0.00 H new ATOM 903 N GLU A 59 66.264 10.878 8.195 1.00 0.00 N ATOM 904 CA GLU A 59 67.633 11.265 8.640 1.00 0.00 C ATOM 905 C GLU A 59 68.673 10.771 7.630 1.00 0.00 C ATOM 906 O GLU A 59 69.263 11.547 6.905 1.00 0.00 O ATOM 907 CB GLU A 59 67.822 10.572 9.989 1.00 0.00 C ATOM 908 CG GLU A 59 69.184 10.952 10.573 1.00 0.00 C ATOM 909 CD GLU A 59 69.033 12.191 11.457 1.00 0.00 C ATOM 910 OE1 GLU A 59 68.674 12.031 12.612 1.00 0.00 O ATOM 911 OE2 GLU A 59 69.280 13.280 10.964 1.00 0.00 O ATOM 0 H GLU A 59 65.667 10.482 8.921 1.00 0.00 H new ATOM 0 HA GLU A 59 67.754 12.345 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 59 67.026 10.864 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.756 9.491 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 59 69.586 10.123 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 59 69.894 11.150 9.770 1.00 0.00 H new ATOM 918 N MET A 60 68.900 9.488 7.574 1.00 0.00 N ATOM 919 CA MET A 60 69.900 8.950 6.608 1.00 0.00 C ATOM 920 C MET A 60 69.700 9.595 5.234 1.00 0.00 C ATOM 921 O MET A 60 70.594 10.217 4.694 1.00 0.00 O ATOM 922 CB MET A 60 69.620 7.448 6.541 1.00 0.00 C ATOM 923 CG MET A 60 70.745 6.689 7.248 1.00 0.00 C ATOM 924 SD MET A 60 70.230 6.283 8.936 1.00 0.00 S ATOM 925 CE MET A 60 69.223 4.835 8.526 1.00 0.00 C ATOM 0 H MET A 60 68.437 8.789 8.155 1.00 0.00 H new ATOM 0 HA MET A 60 70.925 9.158 6.914 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.663 7.224 7.012 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.547 7.127 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.984 5.778 6.700 1.00 0.00 H new ATOM 0 HG3 MET A 60 71.651 7.295 7.268 1.00 0.00 H new ATOM 0 HE1 MET A 60 68.259 4.907 9.030 1.00 0.00 H new ATOM 0 HE2 MET A 60 69.066 4.794 7.448 1.00 0.00 H new ATOM 0 HE3 MET A 60 69.736 3.931 8.852 1.00 0.00 H new ATOM 935 N ILE A 61 68.533 9.456 4.666 1.00 0.00 N ATOM 936 CA ILE A 61 68.277 10.063 3.329 1.00 0.00 C ATOM 937 C ILE A 61 68.720 11.529 3.322 1.00 0.00 C ATOM 938 O ILE A 61 69.296 12.009 2.365 1.00 0.00 O ATOM 939 CB ILE A 61 66.765 9.961 3.130 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.393 8.515 2.790 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.336 10.879 1.985 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.893 8.309 3.007 1.00 0.00 C ATOM 0 H ILE A 61 67.746 8.948 5.070 1.00 0.00 H new ATOM 0 HA ILE A 61 68.828 9.559 2.534 1.00 0.00 H new ATOM 0 HB ILE A 61 66.257 10.263 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.655 8.295 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.960 7.826 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.258 10.805 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.601 11.909 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.843 10.578 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.628 7.280 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.645 8.512 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.335 8.988 2.362 1.00 0.00 H new ATOM 954 N ASP A 62 68.458 12.242 4.383 1.00 0.00 N ATOM 955 CA ASP A 62 68.864 13.676 4.438 1.00 0.00 C ATOM 956 C ASP A 62 70.391 13.794 4.454 1.00 0.00 C ATOM 957 O ASP A 62 70.944 14.860 4.267 1.00 0.00 O ATOM 958 CB ASP A 62 68.273 14.203 5.745 1.00 0.00 C ATOM 959 CG ASP A 62 67.707 15.607 5.521 1.00 0.00 C ATOM 960 OD1 ASP A 62 66.542 15.705 5.171 1.00 0.00 O ATOM 961 OD2 ASP A 62 68.448 16.559 5.703 1.00 0.00 O ATOM 0 H ASP A 62 67.980 11.894 5.214 1.00 0.00 H new ATOM 0 HA ASP A 62 68.512 14.239 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.487 13.535 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.040 14.228 6.519 1.00 0.00 H new ATOM 966 N GLU A 63 71.075 12.705 4.676 1.00 0.00 N ATOM 967 CA GLU A 63 72.566 12.755 4.704 1.00 0.00 C ATOM 968 C GLU A 63 73.144 11.973 3.524 1.00 0.00 C ATOM 969 O GLU A 63 74.083 12.400 2.882 1.00 0.00 O ATOM 970 CB GLU A 63 72.959 12.094 6.026 1.00 0.00 C ATOM 971 CG GLU A 63 72.618 13.029 7.187 1.00 0.00 C ATOM 972 CD GLU A 63 73.482 12.675 8.399 1.00 0.00 C ATOM 973 OE1 GLU A 63 74.536 12.093 8.199 1.00 0.00 O ATOM 974 OE2 GLU A 63 73.075 12.989 9.505 1.00 0.00 O ATOM 0 H GLU A 63 70.668 11.784 4.839 1.00 0.00 H new ATOM 0 HA GLU A 63 72.946 13.774 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 72.432 11.147 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 63 74.025 11.868 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 63 72.789 14.065 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 63 71.562 12.940 7.442 1.00 0.00 H new ATOM 981 N VAL A 64 72.590 10.828 3.232 1.00 0.00 N ATOM 982 CA VAL A 64 73.107 10.019 2.093 1.00 0.00 C ATOM 983 C VAL A 64 72.492 10.507 0.781 1.00 0.00 C ATOM 984 O VAL A 64 73.163 10.628 -0.226 1.00 0.00 O ATOM 985 CB VAL A 64 72.666 8.586 2.394 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.167 8.441 2.123 1.00 0.00 C ATOM 987 CG2 VAL A 64 73.442 7.617 1.499 1.00 0.00 C ATOM 0 H VAL A 64 71.802 10.418 3.733 1.00 0.00 H new ATOM 0 HA VAL A 64 74.189 10.097 1.985 1.00 0.00 H new ATOM 0 HB VAL A 64 72.867 8.358 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.856 7.419 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.614 9.131 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 64 70.963 8.670 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.129 6.595 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.241 7.847 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.510 7.718 1.694 1.00 0.00 H new ATOM 997 N ASP A 65 71.219 10.786 0.786 1.00 0.00 N ATOM 998 CA ASP A 65 70.555 11.266 -0.459 1.00 0.00 C ATOM 999 C ASP A 65 71.006 12.692 -0.784 1.00 0.00 C ATOM 1000 O ASP A 65 70.205 13.601 -0.883 1.00 0.00 O ATOM 1001 CB ASP A 65 69.059 11.235 -0.150 1.00 0.00 C ATOM 1002 CG ASP A 65 68.271 11.079 -1.452 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.540 11.828 -2.377 1.00 0.00 O ATOM 1004 OD2 ASP A 65 67.413 10.212 -1.503 1.00 0.00 O ATOM 0 H ASP A 65 70.608 10.703 1.599 1.00 0.00 H new ATOM 0 HA ASP A 65 70.805 10.649 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.834 10.409 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.763 12.152 0.359 1.00 0.00 H new ATOM 1043 N SER A 69 68.128 13.654 -4.386 1.00 0.00 N ATOM 1044 CA SER A 69 66.975 14.596 -4.483 1.00 0.00 C ATOM 1045 C SER A 69 65.697 13.922 -3.974 1.00 0.00 C ATOM 1046 O SER A 69 64.618 14.153 -4.482 1.00 0.00 O ATOM 1047 CB SER A 69 66.852 14.922 -5.971 1.00 0.00 C ATOM 1048 OG SER A 69 66.504 16.292 -6.124 1.00 0.00 O ATOM 0 HA SER A 69 67.123 15.492 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.794 14.715 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.094 14.289 -6.433 1.00 0.00 H new ATOM 0 HG SER A 69 66.426 16.505 -7.077 1.00 0.00 H new ATOM 1054 N GLY A 70 65.811 13.093 -2.973 1.00 0.00 N ATOM 1055 CA GLY A 70 64.603 12.408 -2.430 1.00 0.00 C ATOM 1056 C GLY A 70 64.407 11.069 -3.144 1.00 0.00 C ATOM 1057 O GLY A 70 63.304 10.575 -3.265 1.00 0.00 O ATOM 0 H GLY A 70 66.688 12.860 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 70 64.715 12.247 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 70 63.723 13.037 -2.567 1.00 0.00 H new ATOM 1061 N THR A 71 65.469 10.476 -3.616 1.00 0.00 N ATOM 1062 CA THR A 71 65.342 9.168 -4.320 1.00 0.00 C ATOM 1063 C THR A 71 66.623 8.348 -4.149 1.00 0.00 C ATOM 1064 O THR A 71 67.718 8.867 -4.226 1.00 0.00 O ATOM 1065 CB THR A 71 65.124 9.526 -5.791 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.230 10.281 -6.262 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.842 10.349 -5.933 1.00 0.00 C ATOM 0 H THR A 71 66.419 10.840 -3.545 1.00 0.00 H new ATOM 0 HA THR A 71 64.525 8.565 -3.924 1.00 0.00 H new ATOM 0 HB THR A 71 65.032 8.612 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.092 10.510 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.687 10.604 -6.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.994 9.767 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.930 11.264 -5.347 1.00 0.00 H new ATOM 1075 N VAL A 72 66.492 7.071 -3.916 1.00 0.00 N ATOM 1076 CA VAL A 72 67.706 6.219 -3.737 1.00 0.00 C ATOM 1077 C VAL A 72 67.949 5.341 -4.964 1.00 0.00 C ATOM 1078 O VAL A 72 67.036 4.971 -5.673 1.00 0.00 O ATOM 1079 CB VAL A 72 67.435 5.332 -2.517 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.767 6.104 -1.247 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.966 4.898 -2.483 1.00 0.00 C ATOM 0 H VAL A 72 65.601 6.580 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 72 68.591 6.840 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 72 68.061 4.442 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.575 5.475 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.818 6.393 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.146 6.998 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.793 4.269 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.327 5.780 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.732 4.336 -3.387 1.00 0.00 H new ATOM 1091 N ASP A 73 69.182 4.989 -5.195 1.00 0.00 N ATOM 1092 CA ASP A 73 69.511 4.113 -6.349 1.00 0.00 C ATOM 1093 C ASP A 73 69.943 2.745 -5.820 1.00 0.00 C ATOM 1094 O ASP A 73 70.249 2.595 -4.654 1.00 0.00 O ATOM 1095 CB ASP A 73 70.670 4.809 -7.065 1.00 0.00 C ATOM 1096 CG ASP A 73 70.340 6.291 -7.248 1.00 0.00 C ATOM 1097 OD1 ASP A 73 69.168 6.627 -7.206 1.00 0.00 O ATOM 1098 OD2 ASP A 73 71.266 7.066 -7.425 1.00 0.00 O ATOM 0 H ASP A 73 69.981 5.274 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 73 68.668 3.959 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 73 71.587 4.698 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.846 4.342 -8.034 1.00 0.00 H new ATOM 1103 N PHE A 74 69.968 1.744 -6.653 1.00 0.00 N ATOM 1104 CA PHE A 74 70.380 0.396 -6.169 1.00 0.00 C ATOM 1105 C PHE A 74 71.615 0.513 -5.272 1.00 0.00 C ATOM 1106 O PHE A 74 71.854 -0.316 -4.416 1.00 0.00 O ATOM 1107 CB PHE A 74 70.707 -0.397 -7.434 1.00 0.00 C ATOM 1108 CG PHE A 74 70.384 -1.853 -7.212 1.00 0.00 C ATOM 1109 CD1 PHE A 74 69.142 -2.222 -6.685 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.329 -2.834 -7.532 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.842 -3.574 -6.479 1.00 0.00 C ATOM 1112 CE2 PHE A 74 71.031 -4.186 -7.327 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.788 -4.557 -6.801 1.00 0.00 C ATOM 0 H PHE A 74 69.723 1.798 -7.642 1.00 0.00 H new ATOM 0 HA PHE A 74 69.602 -0.087 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 74 70.134 -0.011 -8.277 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.761 -0.282 -7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.414 -1.464 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.288 -2.548 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 74 67.883 -3.859 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 74 71.760 -4.943 -7.575 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.558 -5.600 -6.643 1.00 0.00 H new ATOM 1123 N ASP A 75 72.401 1.536 -5.462 1.00 0.00 N ATOM 1124 CA ASP A 75 73.620 1.708 -4.621 1.00 0.00 C ATOM 1125 C ASP A 75 73.251 2.309 -3.260 1.00 0.00 C ATOM 1126 O ASP A 75 73.855 1.997 -2.252 1.00 0.00 O ATOM 1127 CB ASP A 75 74.510 2.672 -5.406 1.00 0.00 C ATOM 1128 CG ASP A 75 75.967 2.219 -5.304 1.00 0.00 C ATOM 1129 OD1 ASP A 75 76.577 2.476 -4.279 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.449 1.621 -6.252 1.00 0.00 O ATOM 0 H ASP A 75 72.252 2.261 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 75 74.118 0.759 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 74.200 2.702 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.404 3.683 -5.013 1.00 0.00 H new ATOM 1135 N GLU A 76 72.269 3.170 -3.221 1.00 0.00 N ATOM 1136 CA GLU A 76 71.874 3.787 -1.923 1.00 0.00 C ATOM 1137 C GLU A 76 71.115 2.775 -1.060 1.00 0.00 C ATOM 1138 O GLU A 76 71.502 2.483 0.054 1.00 0.00 O ATOM 1139 CB GLU A 76 70.966 4.957 -2.301 1.00 0.00 C ATOM 1140 CG GLU A 76 71.717 5.905 -3.238 1.00 0.00 C ATOM 1141 CD GLU A 76 72.735 6.716 -2.434 1.00 0.00 C ATOM 1142 OE1 GLU A 76 72.342 7.715 -1.855 1.00 0.00 O ATOM 1143 OE2 GLU A 76 73.890 6.324 -2.412 1.00 0.00 O ATOM 0 H GLU A 76 71.725 3.471 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 76 72.738 4.111 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.063 4.588 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.650 5.490 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.223 5.337 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 76 71.015 6.574 -3.736 1.00 0.00 H new ATOM 1150 N PHE A 77 70.036 2.240 -1.563 1.00 0.00 N ATOM 1151 CA PHE A 77 69.257 1.251 -0.762 1.00 0.00 C ATOM 1152 C PHE A 77 70.188 0.187 -0.176 1.00 0.00 C ATOM 1153 O PHE A 77 70.226 -0.028 1.020 1.00 0.00 O ATOM 1154 CB PHE A 77 68.277 0.618 -1.751 1.00 0.00 C ATOM 1155 CG PHE A 77 67.409 -0.380 -1.024 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.689 0.014 0.111 1.00 0.00 C ATOM 1157 CD2 PHE A 77 67.324 -1.700 -1.484 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.885 -0.912 0.786 1.00 0.00 C ATOM 1159 CE2 PHE A 77 66.520 -2.626 -0.807 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.801 -2.232 0.327 1.00 0.00 C ATOM 0 H PHE A 77 69.661 2.443 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 77 68.743 1.719 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.658 1.388 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.822 0.125 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.754 1.032 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.878 -2.004 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.329 -0.608 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 77 66.455 -3.644 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 77 65.181 -2.946 0.848 1.00 0.00 H new ATOM 1170 N LEU A 78 70.940 -0.482 -1.007 1.00 0.00 N ATOM 1171 CA LEU A 78 71.866 -1.533 -0.494 1.00 0.00 C ATOM 1172 C LEU A 78 72.585 -1.041 0.765 1.00 0.00 C ATOM 1173 O LEU A 78 72.565 -1.687 1.796 1.00 0.00 O ATOM 1174 CB LEU A 78 72.869 -1.763 -1.625 1.00 0.00 C ATOM 1175 CG LEU A 78 72.262 -2.709 -2.661 1.00 0.00 C ATOM 1176 CD1 LEU A 78 73.244 -2.896 -3.819 1.00 0.00 C ATOM 1177 CD2 LEU A 78 71.979 -4.064 -2.010 1.00 0.00 C ATOM 0 H LEU A 78 70.954 -0.347 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 78 71.339 -2.447 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 78 73.130 -0.814 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.791 -2.186 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 78 71.331 -2.285 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 72.811 -3.571 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 78 73.447 -1.931 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 78 74.175 -3.320 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 78 71.546 -4.739 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 78 72.910 -4.488 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 78 71.279 -3.932 -1.185 1.00 0.00 H new ATOM 1189 N VAL A 79 73.222 0.094 0.691 1.00 0.00 N ATOM 1190 CA VAL A 79 73.945 0.625 1.882 1.00 0.00 C ATOM 1191 C VAL A 79 72.962 0.887 3.026 1.00 0.00 C ATOM 1192 O VAL A 79 73.150 0.433 4.136 1.00 0.00 O ATOM 1193 CB VAL A 79 74.579 1.933 1.411 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.222 2.646 2.601 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.649 1.629 0.360 1.00 0.00 C ATOM 0 H VAL A 79 73.274 0.678 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 79 74.690 -0.077 2.258 1.00 0.00 H new ATOM 0 HB VAL A 79 73.812 2.573 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.674 3.579 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.461 2.861 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.990 2.007 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 79 76.103 2.561 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 79 76.416 0.989 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 79 75.191 1.120 -0.488 1.00 0.00 H new ATOM 1205 N MET A 80 71.914 1.618 2.763 1.00 0.00 N ATOM 1206 CA MET A 80 70.919 1.911 3.835 1.00 0.00 C ATOM 1207 C MET A 80 70.625 0.647 4.647 1.00 0.00 C ATOM 1208 O MET A 80 70.552 0.680 5.860 1.00 0.00 O ATOM 1209 CB MET A 80 69.665 2.378 3.095 1.00 0.00 C ATOM 1210 CG MET A 80 69.666 3.905 3.002 1.00 0.00 C ATOM 1211 SD MET A 80 68.004 4.531 3.350 1.00 0.00 S ATOM 1212 CE MET A 80 67.861 5.612 1.906 1.00 0.00 C ATOM 0 H MET A 80 71.703 2.026 1.852 1.00 0.00 H new ATOM 0 HA MET A 80 71.280 2.661 4.539 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.636 1.942 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.772 2.036 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 80 70.380 4.323 3.712 1.00 0.00 H new ATOM 0 HG3 MET A 80 69.984 4.219 2.008 1.00 0.00 H new ATOM 0 HE1 MET A 80 66.816 5.885 1.758 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.453 6.513 2.066 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.228 5.089 1.023 1.00 0.00 H new ATOM 1222 N MET A 81 70.456 -0.468 3.990 1.00 0.00 N ATOM 1223 CA MET A 81 70.168 -1.731 4.728 1.00 0.00 C ATOM 1224 C MET A 81 71.414 -2.201 5.483 1.00 0.00 C ATOM 1225 O MET A 81 71.358 -2.525 6.653 1.00 0.00 O ATOM 1226 CB MET A 81 69.784 -2.743 3.646 1.00 0.00 C ATOM 1227 CG MET A 81 68.352 -3.226 3.882 1.00 0.00 C ATOM 1228 SD MET A 81 68.322 -4.357 5.294 1.00 0.00 S ATOM 1229 CE MET A 81 67.055 -5.483 4.657 1.00 0.00 C ATOM 0 H MET A 81 70.505 -0.559 2.975 1.00 0.00 H new ATOM 0 HA MET A 81 69.378 -1.604 5.468 1.00 0.00 H new ATOM 0 HB2 MET A 81 69.867 -2.286 2.660 1.00 0.00 H new ATOM 0 HB3 MET A 81 70.472 -3.589 3.664 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.696 -2.376 4.070 1.00 0.00 H new ATOM 0 HG3 MET A 81 67.975 -3.729 2.991 1.00 0.00 H new ATOM 0 HE1 MET A 81 66.253 -5.580 5.389 1.00 0.00 H new ATOM 0 HE2 MET A 81 66.651 -5.086 3.726 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.498 -6.462 4.472 1.00 0.00 H new ATOM 1239 N VAL A 82 72.539 -2.240 4.823 1.00 0.00 N ATOM 1240 CA VAL A 82 73.788 -2.689 5.502 1.00 0.00 C ATOM 1241 C VAL A 82 73.977 -1.934 6.821 1.00 0.00 C ATOM 1242 O VAL A 82 74.613 -2.415 7.737 1.00 0.00 O ATOM 1243 CB VAL A 82 74.913 -2.351 4.524 1.00 0.00 C ATOM 1244 CG1 VAL A 82 76.265 -2.608 5.192 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.784 -3.234 3.280 1.00 0.00 C ATOM 0 H VAL A 82 72.648 -1.980 3.843 1.00 0.00 H new ATOM 0 HA VAL A 82 73.765 -3.751 5.747 1.00 0.00 H new ATOM 0 HB VAL A 82 74.844 -1.302 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 82 77.067 -2.367 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 82 76.357 -1.983 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 82 76.336 -3.657 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.585 -2.996 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 82 74.855 -4.283 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 82 73.820 -3.053 2.804 1.00 0.00 H new ATOM 1255 N ARG A 83 73.429 -0.754 6.925 1.00 0.00 N ATOM 1256 CA ARG A 83 73.579 0.029 8.184 1.00 0.00 C ATOM 1257 C ARG A 83 72.607 -0.488 9.248 1.00 0.00 C ATOM 1258 O ARG A 83 72.947 -0.608 10.409 1.00 0.00 O ATOM 1259 CB ARG A 83 73.236 1.469 7.801 1.00 0.00 C ATOM 1260 CG ARG A 83 74.092 2.435 8.621 1.00 0.00 C ATOM 1261 CD ARG A 83 73.868 3.864 8.124 1.00 0.00 C ATOM 1262 NE ARG A 83 75.230 4.384 7.822 1.00 0.00 N ATOM 1263 CZ ARG A 83 75.387 5.331 6.939 1.00 0.00 C ATOM 1264 NH1 ARG A 83 74.493 6.276 6.830 1.00 0.00 N ATOM 1265 NH2 ARG A 83 76.437 5.333 6.164 1.00 0.00 N ATOM 0 H ARG A 83 72.884 -0.299 6.193 1.00 0.00 H new ATOM 0 HA ARG A 83 74.582 -0.053 8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 83 73.412 1.625 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.178 1.662 7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 83 73.832 2.361 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 83 75.145 2.169 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 83 73.234 3.879 7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 83 73.372 4.472 8.881 1.00 0.00 H new ATOM 0 HE ARG A 83 76.041 3.999 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 83 73.672 6.274 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 83 74.615 7.017 6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 83 77.135 4.594 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 83 76.560 6.074 5.473 1.00 0.00 H new ATOM 1279 N CYS A 84 71.400 -0.797 8.861 1.00 0.00 N ATOM 1280 CA CYS A 84 70.407 -1.307 9.850 1.00 0.00 C ATOM 1281 C CYS A 84 70.835 -2.681 10.372 1.00 0.00 C ATOM 1282 O CYS A 84 71.072 -2.862 11.550 1.00 0.00 O ATOM 1283 CB CYS A 84 69.095 -1.415 9.073 1.00 0.00 C ATOM 1284 SG CYS A 84 67.760 -0.662 10.036 1.00 0.00 S ATOM 0 H CYS A 84 71.058 -0.719 7.903 1.00 0.00 H new ATOM 0 HA CYS A 84 70.316 -0.653 10.717 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.189 -0.915 8.109 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.866 -2.461 8.869 1.00 0.00 H new ATOM 0 HG CYS A 84 66.644 -0.752 9.375 1.00 0.00 H new ATOM 1290 N MET A 85 70.936 -3.651 9.504 1.00 0.00 N ATOM 1291 CA MET A 85 71.349 -5.011 9.951 1.00 0.00 C ATOM 1292 C MET A 85 72.807 -4.997 10.414 1.00 0.00 C ATOM 1293 O MET A 85 73.722 -4.916 9.617 1.00 0.00 O ATOM 1294 CB MET A 85 71.186 -5.900 8.717 1.00 0.00 C ATOM 1295 CG MET A 85 72.121 -5.411 7.609 1.00 0.00 C ATOM 1296 SD MET A 85 71.299 -5.583 6.006 1.00 0.00 S ATOM 1297 CE MET A 85 72.463 -6.764 5.281 1.00 0.00 C ATOM 0 H MET A 85 70.750 -3.560 8.505 1.00 0.00 H new ATOM 0 HA MET A 85 70.754 -5.367 10.792 1.00 0.00 H new ATOM 0 HB2 MET A 85 71.414 -6.936 8.969 1.00 0.00 H new ATOM 0 HB3 MET A 85 70.152 -5.876 8.372 1.00 0.00 H new ATOM 0 HG2 MET A 85 72.392 -4.369 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 85 73.046 -5.987 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 85 72.144 -7.016 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 85 73.458 -6.320 5.247 1.00 0.00 H new ATOM 0 HE3 MET A 85 72.489 -7.669 5.889 1.00 0.00 H new