USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 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 60 MET CE :methyl 152:sc= -0.217 (180deg=-1.21!) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 90:sc= -4.35! USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= -6.8! C(o=-12!,f=-11!) 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 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.498 K(o=-0.5,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -130:sc= -0.857 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -77:sc= 0.131 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.629 (180deg=-2.37!) USER MOD Single : A 45 MET CE :methyl -156:sc= -0.135 (180deg=-0.366) USER MOD Single : A 47 MET CE :methyl -132:sc= -1.38 (180deg=-2.62!) USER MOD Single : A 50 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.64) USER MOD Single : A 51 ASN : amide:sc= -3.76! C(o=-3.8!,f=-13!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 58 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.0357 USER MOD Single : A 80 MET CE :methyl 162:sc= -2.63! (180deg=-4.27!) USER MOD Single : A 81 MET CE :methyl 165:sc= -1.91 (180deg=-2.8) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.693 2.719 2.681 1.00 0.00 N ATOM 45 CA ILE A 4 83.832 1.294 3.100 1.00 0.00 C ATOM 46 C ILE A 4 82.514 0.545 2.881 1.00 0.00 C ATOM 47 O ILE A 4 82.500 -0.644 2.635 1.00 0.00 O ATOM 48 CB ILE A 4 84.177 1.351 4.588 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.935 1.760 5.384 1.00 0.00 C ATOM 50 CG2 ILE A 4 85.288 2.380 4.815 1.00 0.00 C ATOM 51 CD1 ILE A 4 83.328 2.042 6.836 1.00 0.00 C ATOM 0 HA ILE A 4 84.594 0.767 2.525 1.00 0.00 H new ATOM 0 HB ILE A 4 84.516 0.370 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 4 82.482 2.646 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 4 82.188 0.967 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 4 85.535 2.421 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 4 86.173 2.091 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.949 3.361 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 4 82.443 2.333 7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 4 83.762 1.144 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 4 84.059 2.850 6.865 1.00 0.00 H new ATOM 63 N TYR A 5 81.406 1.231 2.969 1.00 0.00 N ATOM 64 CA TYR A 5 80.095 0.551 2.764 1.00 0.00 C ATOM 65 C TYR A 5 80.076 -0.156 1.406 1.00 0.00 C ATOM 66 O TYR A 5 79.403 -1.150 1.222 1.00 0.00 O ATOM 67 CB TYR A 5 79.055 1.671 2.801 1.00 0.00 C ATOM 68 CG TYR A 5 79.132 2.384 4.129 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.494 1.843 5.250 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.842 3.585 4.238 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.566 2.502 6.483 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.915 4.246 5.471 1.00 0.00 C ATOM 73 CZ TYR A 5 79.276 3.704 6.593 1.00 0.00 C ATOM 74 OH TYR A 5 79.348 4.355 7.809 1.00 0.00 O ATOM 0 H TYR A 5 81.352 2.229 3.173 1.00 0.00 H new ATOM 0 HA TYR A 5 79.900 -0.208 3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.233 2.374 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 5 78.056 1.260 2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.946 0.917 5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.334 4.002 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 5 78.074 2.084 7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.463 5.172 5.556 1.00 0.00 H new ATOM 0 HH TYR A 5 79.879 5.173 7.711 1.00 0.00 H new ATOM 84 N LYS A 6 80.813 0.350 0.456 1.00 0.00 N ATOM 85 CA LYS A 6 80.842 -0.293 -0.889 1.00 0.00 C ATOM 86 C LYS A 6 80.969 -1.811 -0.745 1.00 0.00 C ATOM 87 O LYS A 6 80.412 -2.567 -1.516 1.00 0.00 O ATOM 88 CB LYS A 6 82.078 0.286 -1.577 1.00 0.00 C ATOM 89 CG LYS A 6 81.806 0.437 -3.075 1.00 0.00 C ATOM 90 CD LYS A 6 81.507 1.904 -3.393 1.00 0.00 C ATOM 91 CE LYS A 6 80.622 1.987 -4.638 1.00 0.00 C ATOM 92 NZ LYS A 6 79.580 2.995 -4.299 1.00 0.00 N ATOM 0 H LYS A 6 81.397 1.181 0.552 1.00 0.00 H new ATOM 0 HA LYS A 6 79.932 -0.103 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 6 82.329 1.254 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 6 82.936 -0.367 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 6 82.669 0.098 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 6 80.963 -0.189 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 6 81.008 2.376 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 6 82.437 2.448 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 6 81.197 2.292 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 6 80.176 1.020 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 78.932 3.109 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 79.045 2.675 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 80.034 3.907 -4.088 1.00 0.00 H new ATOM 106 N ALA A 7 81.700 -2.262 0.237 1.00 0.00 N ATOM 107 CA ALA A 7 81.866 -3.731 0.432 1.00 0.00 C ATOM 108 C ALA A 7 80.548 -4.357 0.895 1.00 0.00 C ATOM 109 O ALA A 7 80.310 -5.535 0.711 1.00 0.00 O ATOM 110 CB ALA A 7 82.935 -3.867 1.517 1.00 0.00 C ATOM 0 H ALA A 7 82.190 -1.677 0.914 1.00 0.00 H new ATOM 0 HA ALA A 7 82.151 -4.240 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 7 83.116 -4.923 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.859 -3.399 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.593 -3.376 2.428 1.00 0.00 H new ATOM 116 N ALA A 8 79.687 -3.578 1.492 1.00 0.00 N ATOM 117 CA ALA A 8 78.384 -4.130 1.965 1.00 0.00 C ATOM 118 C ALA A 8 77.667 -4.847 0.818 1.00 0.00 C ATOM 119 O ALA A 8 77.257 -5.983 0.944 1.00 0.00 O ATOM 120 CB ALA A 8 77.582 -2.912 2.424 1.00 0.00 C ATOM 0 H ALA A 8 79.829 -2.584 1.673 1.00 0.00 H new ATOM 0 HA ALA A 8 78.509 -4.859 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.607 -3.235 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 8 78.118 -2.404 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.448 -2.228 1.586 1.00 0.00 H new ATOM 126 N VAL A 9 77.512 -4.190 -0.299 1.00 0.00 N ATOM 127 CA VAL A 9 76.822 -4.835 -1.453 1.00 0.00 C ATOM 128 C VAL A 9 77.670 -5.991 -1.990 1.00 0.00 C ATOM 129 O VAL A 9 77.164 -7.046 -2.316 1.00 0.00 O ATOM 130 CB VAL A 9 76.691 -3.733 -2.502 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.036 -4.300 -3.763 1.00 0.00 C ATOM 132 CG2 VAL A 9 75.825 -2.601 -1.945 1.00 0.00 C ATOM 0 H VAL A 9 77.833 -3.236 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 9 75.853 -5.251 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 9 77.681 -3.349 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 9 75.943 -3.512 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 9 76.651 -5.107 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.046 -4.685 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 9 75.731 -1.814 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 9 74.836 -2.987 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.291 -2.195 -1.047 1.00 0.00 H new ATOM 142 N GLU A 10 78.957 -5.799 -2.083 1.00 0.00 N ATOM 143 CA GLU A 10 79.838 -6.885 -2.598 1.00 0.00 C ATOM 144 C GLU A 10 79.833 -8.071 -1.630 1.00 0.00 C ATOM 145 O GLU A 10 79.879 -9.216 -2.036 1.00 0.00 O ATOM 146 CB GLU A 10 81.233 -6.262 -2.673 1.00 0.00 C ATOM 147 CG GLU A 10 81.267 -5.219 -3.793 1.00 0.00 C ATOM 148 CD GLU A 10 80.859 -5.874 -5.113 1.00 0.00 C ATOM 149 OE1 GLU A 10 81.372 -6.942 -5.406 1.00 0.00 O ATOM 150 OE2 GLU A 10 80.041 -5.297 -5.810 1.00 0.00 O ATOM 0 H GLU A 10 79.437 -4.937 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 10 79.507 -7.262 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.487 -5.797 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.979 -7.035 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.591 -4.396 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.267 -4.795 -3.879 1.00 0.00 H new ATOM 157 N GLN A 11 79.776 -7.807 -0.353 1.00 0.00 N ATOM 158 CA GLN A 11 79.766 -8.920 0.639 1.00 0.00 C ATOM 159 C GLN A 11 78.597 -9.867 0.358 1.00 0.00 C ATOM 160 O GLN A 11 78.581 -10.998 0.803 1.00 0.00 O ATOM 161 CB GLN A 11 79.590 -8.239 1.997 1.00 0.00 C ATOM 162 CG GLN A 11 80.872 -8.394 2.817 1.00 0.00 C ATOM 163 CD GLN A 11 80.630 -7.896 4.242 1.00 0.00 C ATOM 164 OE1 GLN A 11 80.788 -6.725 4.524 1.00 0.00 O ATOM 165 NE2 GLN A 11 80.250 -8.742 5.160 1.00 0.00 N ATOM 0 H GLN A 11 79.736 -6.869 0.046 1.00 0.00 H new ATOM 0 HA GLN A 11 80.676 -9.518 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 11 79.360 -7.183 1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 11 78.749 -8.681 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.182 -9.439 2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 11 81.682 -7.829 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.117 -9.725 4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 11 80.086 -8.420 6.114 1.00 0.00 H new ATOM 174 N LEU A 12 77.618 -9.415 -0.378 1.00 0.00 N ATOM 175 CA LEU A 12 76.452 -10.290 -0.688 1.00 0.00 C ATOM 176 C LEU A 12 76.766 -11.180 -1.894 1.00 0.00 C ATOM 177 O LEU A 12 77.885 -11.230 -2.364 1.00 0.00 O ATOM 178 CB LEU A 12 75.308 -9.328 -1.014 1.00 0.00 C ATOM 179 CG LEU A 12 75.137 -8.327 0.132 1.00 0.00 C ATOM 180 CD1 LEU A 12 74.444 -7.067 -0.389 1.00 0.00 C ATOM 181 CD2 LEU A 12 74.282 -8.956 1.234 1.00 0.00 C ATOM 0 H LEU A 12 77.576 -8.478 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 12 76.202 -10.953 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.518 -8.799 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.383 -9.885 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 12 76.116 -8.065 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 12 74.322 -6.355 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 12 75.050 -6.617 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 73.465 -7.330 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.160 -8.244 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.304 -9.218 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.773 -9.855 1.607 1.00 0.00 H new ATOM 193 N THR A 13 75.787 -11.879 -2.399 1.00 0.00 N ATOM 194 CA THR A 13 76.032 -12.762 -3.575 1.00 0.00 C ATOM 195 C THR A 13 74.910 -12.589 -4.601 1.00 0.00 C ATOM 196 O THR A 13 73.951 -11.880 -4.371 1.00 0.00 O ATOM 197 CB THR A 13 76.037 -14.185 -3.014 1.00 0.00 C ATOM 198 OG1 THR A 13 75.018 -14.308 -2.032 1.00 0.00 O ATOM 199 CG2 THR A 13 77.397 -14.482 -2.380 1.00 0.00 C ATOM 0 H THR A 13 74.829 -11.877 -2.049 1.00 0.00 H new ATOM 0 HA THR A 13 76.968 -12.527 -4.082 1.00 0.00 H new ATOM 0 HB THR A 13 75.853 -14.894 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.184 -14.595 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 13 77.399 -15.496 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 13 78.178 -14.388 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.584 -13.774 -1.573 1.00 0.00 H new ATOM 207 N GLU A 14 75.022 -13.229 -5.733 1.00 0.00 N ATOM 208 CA GLU A 14 73.960 -13.093 -6.771 1.00 0.00 C ATOM 209 C GLU A 14 72.672 -13.776 -6.310 1.00 0.00 C ATOM 210 O GLU A 14 71.601 -13.510 -6.821 1.00 0.00 O ATOM 211 CB GLU A 14 74.525 -13.788 -8.012 1.00 0.00 C ATOM 212 CG GLU A 14 74.549 -15.302 -7.785 1.00 0.00 C ATOM 213 CD GLU A 14 75.969 -15.827 -8.001 1.00 0.00 C ATOM 214 OE1 GLU A 14 76.340 -16.019 -9.147 1.00 0.00 O ATOM 215 OE2 GLU A 14 76.660 -16.030 -7.017 1.00 0.00 O ATOM 0 H GLU A 14 75.800 -13.839 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 14 73.709 -12.051 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 14 73.916 -13.550 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 14 75.532 -13.425 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 14 74.214 -15.534 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 14 73.859 -15.794 -8.471 1.00 0.00 H new ATOM 222 N GLU A 15 72.761 -14.649 -5.346 1.00 0.00 N ATOM 223 CA GLU A 15 71.534 -15.339 -4.856 1.00 0.00 C ATOM 224 C GLU A 15 70.637 -14.346 -4.114 1.00 0.00 C ATOM 225 O GLU A 15 69.457 -14.239 -4.382 1.00 0.00 O ATOM 226 CB GLU A 15 72.039 -16.423 -3.905 1.00 0.00 C ATOM 227 CG GLU A 15 71.498 -17.783 -4.347 1.00 0.00 C ATOM 228 CD GLU A 15 69.995 -17.851 -4.069 1.00 0.00 C ATOM 229 OE1 GLU A 15 69.240 -17.323 -4.869 1.00 0.00 O ATOM 230 OE2 GLU A 15 69.624 -18.427 -3.059 1.00 0.00 O ATOM 0 H GLU A 15 73.627 -14.914 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 15 70.942 -15.759 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 15 73.129 -16.438 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.718 -16.206 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 71.689 -17.934 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 15 72.013 -18.582 -3.814 1.00 0.00 H new ATOM 237 N GLN A 16 71.189 -13.616 -3.184 1.00 0.00 N ATOM 238 CA GLN A 16 70.366 -12.626 -2.430 1.00 0.00 C ATOM 239 C GLN A 16 70.293 -11.309 -3.202 1.00 0.00 C ATOM 240 O GLN A 16 69.372 -10.532 -3.040 1.00 0.00 O ATOM 241 CB GLN A 16 71.082 -12.433 -1.090 1.00 0.00 C ATOM 242 CG GLN A 16 72.512 -11.946 -1.324 1.00 0.00 C ATOM 243 CD GLN A 16 73.462 -12.723 -0.410 1.00 0.00 C ATOM 244 OE1 GLN A 16 74.311 -12.070 0.333 1.00 0.00 O flip ATOM 245 NE2 GLN A 16 73.429 -13.937 -0.369 1.00 0.00 N flip ATOM 0 H GLN A 16 72.171 -13.661 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 16 69.341 -12.968 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 16 70.539 -11.712 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.095 -13.372 -0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 16 72.792 -12.090 -2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.584 -10.878 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 16 72.765 -14.449 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 16 74.065 -14.444 0.246 1.00 0.00 H new ATOM 254 N LYS A 17 71.252 -11.052 -4.047 1.00 0.00 N ATOM 255 CA LYS A 17 71.231 -9.787 -4.835 1.00 0.00 C ATOM 256 C LYS A 17 70.028 -9.783 -5.780 1.00 0.00 C ATOM 257 O LYS A 17 69.525 -8.744 -6.158 1.00 0.00 O ATOM 258 CB LYS A 17 72.538 -9.789 -5.626 1.00 0.00 C ATOM 259 CG LYS A 17 72.650 -8.492 -6.429 1.00 0.00 C ATOM 260 CD LYS A 17 73.793 -7.642 -5.869 1.00 0.00 C ATOM 261 CE LYS A 17 74.965 -7.651 -6.852 1.00 0.00 C ATOM 262 NZ LYS A 17 76.182 -7.745 -5.997 1.00 0.00 N ATOM 0 H LYS A 17 72.049 -11.662 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 17 71.144 -8.904 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.386 -9.884 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.569 -10.648 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.831 -8.717 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.712 -7.938 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.452 -6.620 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.112 -8.033 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 17 74.898 -8.495 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 17 74.978 -6.746 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 77.030 -7.756 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 76.222 -6.925 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 76.145 -8.619 -5.435 1.00 0.00 H new ATOM 276 N ASN A 18 69.561 -10.941 -6.161 1.00 0.00 N ATOM 277 CA ASN A 18 68.388 -11.007 -7.079 1.00 0.00 C ATOM 278 C ASN A 18 67.092 -10.826 -6.286 1.00 0.00 C ATOM 279 O ASN A 18 66.086 -10.392 -6.810 1.00 0.00 O ATOM 280 CB ASN A 18 68.447 -12.404 -7.697 1.00 0.00 C ATOM 281 CG ASN A 18 69.405 -12.395 -8.888 1.00 0.00 C ATOM 282 OD1 ASN A 18 69.506 -11.411 -9.594 1.00 0.00 O ATOM 283 ND2 ASN A 18 70.117 -13.457 -9.145 1.00 0.00 N ATOM 0 H ASN A 18 69.941 -11.844 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 18 68.411 -10.225 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.781 -13.128 -6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 18 67.453 -12.713 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.758 -13.461 -9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 18 70.033 -14.283 -8.553 1.00 0.00 H new ATOM 290 N GLU A 19 67.112 -11.154 -5.023 1.00 0.00 N ATOM 291 CA GLU A 19 65.884 -11.001 -4.193 1.00 0.00 C ATOM 292 C GLU A 19 65.519 -9.520 -4.060 1.00 0.00 C ATOM 293 O GLU A 19 64.391 -9.126 -4.286 1.00 0.00 O ATOM 294 CB GLU A 19 66.253 -11.586 -2.830 1.00 0.00 C ATOM 295 CG GLU A 19 64.983 -12.016 -2.095 1.00 0.00 C ATOM 296 CD GLU A 19 65.219 -11.949 -0.586 1.00 0.00 C ATOM 297 OE1 GLU A 19 65.996 -11.109 -0.165 1.00 0.00 O ATOM 298 OE2 GLU A 19 64.619 -12.740 0.124 1.00 0.00 O ATOM 0 H GLU A 19 67.926 -11.521 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 19 65.022 -11.503 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.918 -12.440 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.794 -10.846 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.152 -11.367 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.707 -13.030 -2.386 1.00 0.00 H new ATOM 305 N PHE A 20 66.464 -8.698 -3.694 1.00 0.00 N ATOM 306 CA PHE A 20 66.172 -7.244 -3.546 1.00 0.00 C ATOM 307 C PHE A 20 65.800 -6.638 -4.902 1.00 0.00 C ATOM 308 O PHE A 20 64.950 -5.775 -4.995 1.00 0.00 O ATOM 309 CB PHE A 20 67.470 -6.631 -3.021 1.00 0.00 C ATOM 310 CG PHE A 20 67.501 -6.728 -1.515 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.394 -6.312 -0.765 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.635 -7.233 -0.869 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.422 -6.402 0.631 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.662 -7.323 0.528 1.00 0.00 C ATOM 315 CZ PHE A 20 67.556 -6.908 1.278 1.00 0.00 C ATOM 0 H PHE A 20 67.426 -8.970 -3.491 1.00 0.00 H new ATOM 0 HA PHE A 20 65.333 -7.057 -2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.328 -7.151 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.543 -5.588 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.519 -5.922 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.489 -7.553 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.569 -6.081 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.537 -7.713 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.577 -6.978 2.356 1.00 0.00 H new ATOM 325 N LYS A 21 66.430 -7.084 -5.954 1.00 0.00 N ATOM 326 CA LYS A 21 66.110 -6.533 -7.303 1.00 0.00 C ATOM 327 C LYS A 21 64.626 -6.729 -7.616 1.00 0.00 C ATOM 328 O LYS A 21 63.970 -5.850 -8.140 1.00 0.00 O ATOM 329 CB LYS A 21 66.975 -7.340 -8.274 1.00 0.00 C ATOM 330 CG LYS A 21 66.553 -7.031 -9.712 1.00 0.00 C ATOM 331 CD LYS A 21 67.418 -7.838 -10.681 1.00 0.00 C ATOM 332 CE LYS A 21 66.728 -7.907 -12.047 1.00 0.00 C ATOM 333 NZ LYS A 21 67.777 -8.402 -12.981 1.00 0.00 N ATOM 0 H LYS A 21 67.151 -7.805 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 21 66.309 -5.463 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 21 68.027 -7.093 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.868 -8.406 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.501 -7.278 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 21 66.660 -5.965 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 21 68.400 -7.375 -10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 21 67.578 -8.843 -10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.871 -8.580 -12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 21 66.357 -6.929 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 67.381 -8.476 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 68.577 -7.738 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 68.106 -9.338 -12.669 1.00 0.00 H new ATOM 347 N ALA A 22 64.090 -7.877 -7.302 1.00 0.00 N ATOM 348 CA ALA A 22 62.648 -8.131 -7.584 1.00 0.00 C ATOM 349 C ALA A 22 61.767 -7.385 -6.578 1.00 0.00 C ATOM 350 O ALA A 22 60.555 -7.434 -6.645 1.00 0.00 O ATOM 351 CB ALA A 22 62.476 -9.642 -7.431 1.00 0.00 C ATOM 0 H ALA A 22 64.589 -8.651 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 22 62.356 -7.784 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.437 -9.911 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 22 63.122 -10.156 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.746 -9.938 -6.417 1.00 0.00 H new ATOM 357 N ALA A 23 62.365 -6.694 -5.645 1.00 0.00 N ATOM 358 CA ALA A 23 61.557 -5.947 -4.639 1.00 0.00 C ATOM 359 C ALA A 23 61.801 -4.442 -4.775 1.00 0.00 C ATOM 360 O ALA A 23 61.117 -3.636 -4.177 1.00 0.00 O ATOM 361 CB ALA A 23 62.050 -6.446 -3.280 1.00 0.00 C ATOM 0 H ALA A 23 63.376 -6.615 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 23 60.487 -6.110 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.501 -5.941 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.887 -7.521 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.114 -6.232 -3.178 1.00 0.00 H new ATOM 367 N PHE A 24 62.774 -4.059 -5.554 1.00 0.00 N ATOM 368 CA PHE A 24 63.065 -2.609 -5.725 1.00 0.00 C ATOM 369 C PHE A 24 62.376 -2.071 -6.982 1.00 0.00 C ATOM 370 O PHE A 24 61.667 -1.086 -6.939 1.00 0.00 O ATOM 371 CB PHE A 24 64.584 -2.532 -5.870 1.00 0.00 C ATOM 372 CG PHE A 24 65.000 -1.092 -6.035 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.740 -0.424 -7.236 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.644 -0.426 -4.986 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.126 0.914 -7.389 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.029 0.911 -5.138 1.00 0.00 C ATOM 377 CZ PHE A 24 65.770 1.581 -6.340 1.00 0.00 C ATOM 0 H PHE A 24 63.380 -4.688 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 24 62.701 -2.012 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 24 65.066 -2.963 -4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.908 -3.116 -6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.242 -0.939 -8.044 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.844 -0.944 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 24 64.927 1.431 -8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.526 1.426 -4.329 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.067 2.613 -6.458 1.00 0.00 H new ATOM 387 N ASP A 25 62.578 -2.711 -8.101 1.00 0.00 N ATOM 388 CA ASP A 25 61.933 -2.235 -9.359 1.00 0.00 C ATOM 389 C ASP A 25 60.416 -2.138 -9.171 1.00 0.00 C ATOM 390 O ASP A 25 59.725 -1.499 -9.940 1.00 0.00 O ATOM 391 CB ASP A 25 62.280 -3.292 -10.408 1.00 0.00 C ATOM 392 CG ASP A 25 63.739 -3.128 -10.835 1.00 0.00 C ATOM 393 OD1 ASP A 25 64.609 -3.409 -10.026 1.00 0.00 O ATOM 394 OD2 ASP A 25 63.964 -2.724 -11.965 1.00 0.00 O ATOM 0 H ASP A 25 63.161 -3.542 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 25 62.279 -1.244 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 25 62.119 -4.290 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.624 -3.191 -11.272 1.00 0.00 H new ATOM 399 N ILE A 26 59.890 -2.767 -8.155 1.00 0.00 N ATOM 400 CA ILE A 26 58.419 -2.710 -7.920 1.00 0.00 C ATOM 401 C ILE A 26 58.035 -1.374 -7.277 1.00 0.00 C ATOM 402 O ILE A 26 56.890 -1.144 -6.942 1.00 0.00 O ATOM 403 CB ILE A 26 58.125 -3.866 -6.969 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.635 -5.170 -7.591 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.615 -3.957 -6.735 1.00 0.00 C ATOM 406 CD1 ILE A 26 58.002 -6.365 -6.878 1.00 0.00 C ATOM 0 H ILE A 26 60.416 -3.318 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 26 57.851 -2.790 -8.847 1.00 0.00 H new ATOM 0 HB ILE A 26 58.626 -3.700 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 26 58.391 -5.197 -8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.721 -5.221 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.401 -4.782 -6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.258 -3.025 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 26 56.109 -4.129 -7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 26 58.368 -7.290 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.269 -6.341 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.918 -6.317 -6.980 1.00 0.00 H new ATOM 418 N PHE A 27 58.983 -0.494 -7.101 1.00 0.00 N ATOM 419 CA PHE A 27 58.667 0.824 -6.479 1.00 0.00 C ATOM 420 C PHE A 27 59.527 1.926 -7.105 1.00 0.00 C ATOM 421 O PHE A 27 59.946 2.852 -6.441 1.00 0.00 O ATOM 422 CB PHE A 27 59.009 0.656 -4.998 1.00 0.00 C ATOM 423 CG PHE A 27 57.817 0.082 -4.269 1.00 0.00 C ATOM 424 CD1 PHE A 27 57.558 -1.293 -4.327 1.00 0.00 C ATOM 425 CD2 PHE A 27 56.972 0.923 -3.537 1.00 0.00 C ATOM 426 CE1 PHE A 27 56.454 -1.826 -3.652 1.00 0.00 C ATOM 427 CE2 PHE A 27 55.867 0.390 -2.861 1.00 0.00 C ATOM 428 CZ PHE A 27 55.608 -0.985 -2.919 1.00 0.00 C ATOM 0 H PHE A 27 59.960 -0.630 -7.360 1.00 0.00 H new ATOM 0 HA PHE A 27 57.626 1.110 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.870 -0.003 -4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.285 1.618 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 27 58.210 -1.942 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 27 57.172 1.983 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 27 56.255 -2.886 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.215 1.039 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.756 -1.397 -2.398 1.00 0.00 H new ATOM 438 N VAL A 28 59.789 1.835 -8.380 1.00 0.00 N ATOM 439 CA VAL A 28 60.618 2.879 -9.049 1.00 0.00 C ATOM 440 C VAL A 28 59.719 3.994 -9.587 1.00 0.00 C ATOM 441 O VAL A 28 60.033 4.638 -10.568 1.00 0.00 O ATOM 442 CB VAL A 28 61.314 2.156 -10.198 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.084 3.168 -11.046 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.287 1.117 -9.634 1.00 0.00 C ATOM 0 H VAL A 28 59.465 1.083 -8.988 1.00 0.00 H new ATOM 0 HA VAL A 28 61.332 3.341 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 28 60.568 1.657 -10.817 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.581 2.651 -11.867 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.391 3.907 -11.449 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.829 3.668 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 28 62.784 0.601 -10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.033 1.615 -9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 28 61.738 0.394 -9.030 1.00 0.00 H new ATOM 454 N LEU A 29 58.602 4.215 -8.949 1.00 0.00 N ATOM 455 CA LEU A 29 57.661 5.282 -9.407 1.00 0.00 C ATOM 456 C LEU A 29 58.430 6.492 -9.942 1.00 0.00 C ATOM 457 O LEU A 29 58.937 7.302 -9.190 1.00 0.00 O ATOM 458 CB LEU A 29 56.865 5.665 -8.160 1.00 0.00 C ATOM 459 CG LEU A 29 55.508 4.962 -8.181 1.00 0.00 C ATOM 460 CD1 LEU A 29 55.586 3.679 -7.353 1.00 0.00 C ATOM 461 CD2 LEU A 29 54.446 5.888 -7.585 1.00 0.00 C ATOM 0 H LEU A 29 58.297 3.699 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 29 57.019 4.938 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 29 57.417 5.384 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 29 56.725 6.745 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 29 55.242 4.716 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 29 54.618 3.177 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 29 56.344 3.019 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 29 55.852 3.925 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 29 53.478 5.388 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 29 54.713 6.133 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 54.390 6.804 -8.173 1.00 0.00 H new ATOM 473 N GLY A 30 58.522 6.619 -11.238 1.00 0.00 N ATOM 474 CA GLY A 30 59.259 7.772 -11.825 1.00 0.00 C ATOM 475 C GLY A 30 60.760 7.565 -11.632 1.00 0.00 C ATOM 476 O GLY A 30 61.358 6.695 -12.234 1.00 0.00 O ATOM 0 H GLY A 30 58.118 5.973 -11.916 1.00 0.00 H new ATOM 0 HA2 GLY A 30 59.027 7.864 -12.886 1.00 0.00 H new ATOM 0 HA3 GLY A 30 58.944 8.700 -11.348 1.00 0.00 H new ATOM 480 N ALA A 31 61.376 8.354 -10.796 1.00 0.00 N ATOM 481 CA ALA A 31 62.838 8.195 -10.566 1.00 0.00 C ATOM 482 C ALA A 31 63.607 8.416 -11.870 1.00 0.00 C ATOM 483 O ALA A 31 63.088 8.217 -12.950 1.00 0.00 O ATOM 484 CB ALA A 31 63.006 6.755 -10.084 1.00 0.00 C ATOM 0 H ALA A 31 60.930 9.101 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 31 63.223 8.916 -9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 31 64.060 6.556 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 31 62.436 6.610 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 31 62.642 6.070 -10.850 1.00 0.00 H new ATOM 490 N GLU A 32 64.841 8.826 -11.776 1.00 0.00 N ATOM 491 CA GLU A 32 65.645 9.059 -13.009 1.00 0.00 C ATOM 492 C GLU A 32 65.924 7.731 -13.722 1.00 0.00 C ATOM 493 O GLU A 32 65.792 7.624 -14.924 1.00 0.00 O ATOM 494 CB GLU A 32 66.948 9.690 -12.517 1.00 0.00 C ATOM 495 CG GLU A 32 66.705 11.162 -12.177 1.00 0.00 C ATOM 496 CD GLU A 32 67.961 11.750 -11.532 1.00 0.00 C ATOM 497 OE1 GLU A 32 68.879 12.082 -12.264 1.00 0.00 O ATOM 498 OE2 GLU A 32 67.982 11.861 -10.318 1.00 0.00 O ATOM 0 H GLU A 32 65.328 9.010 -10.899 1.00 0.00 H new ATOM 0 HA GLU A 32 65.127 9.697 -13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 32 67.313 9.158 -11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 32 67.718 9.605 -13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 32 66.452 11.718 -13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 32 65.857 11.254 -11.498 1.00 0.00 H new ATOM 505 N ASP A 33 66.310 6.719 -12.991 1.00 0.00 N ATOM 506 CA ASP A 33 66.596 5.404 -13.635 1.00 0.00 C ATOM 507 C ASP A 33 66.622 4.284 -12.590 1.00 0.00 C ATOM 508 O ASP A 33 67.578 4.128 -11.856 1.00 0.00 O ATOM 509 CB ASP A 33 67.975 5.571 -14.276 1.00 0.00 C ATOM 510 CG ASP A 33 68.334 4.305 -15.055 1.00 0.00 C ATOM 511 OD1 ASP A 33 68.702 3.328 -14.422 1.00 0.00 O ATOM 512 OD2 ASP A 33 68.236 4.333 -16.270 1.00 0.00 O ATOM 0 H ASP A 33 66.439 6.746 -11.980 1.00 0.00 H new ATOM 0 HA ASP A 33 65.833 5.132 -14.364 1.00 0.00 H new ATOM 0 HB2 ASP A 33 67.975 6.433 -14.943 1.00 0.00 H new ATOM 0 HB3 ASP A 33 68.724 5.762 -13.507 1.00 0.00 H new ATOM 517 N GLY A 34 65.580 3.499 -12.524 1.00 0.00 N ATOM 518 CA GLY A 34 65.542 2.382 -11.536 1.00 0.00 C ATOM 519 C GLY A 34 65.764 2.923 -10.123 1.00 0.00 C ATOM 520 O GLY A 34 66.566 2.406 -9.369 1.00 0.00 O ATOM 0 H GLY A 34 64.752 3.583 -13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.581 1.870 -11.591 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.310 1.647 -11.777 1.00 0.00 H new ATOM 524 N CYS A 35 65.054 3.952 -9.752 1.00 0.00 N ATOM 525 CA CYS A 35 65.220 4.517 -8.381 1.00 0.00 C ATOM 526 C CYS A 35 63.854 4.614 -7.695 1.00 0.00 C ATOM 527 O CYS A 35 62.843 4.820 -8.336 1.00 0.00 O ATOM 528 CB CYS A 35 65.822 5.907 -8.593 1.00 0.00 C ATOM 529 SG CYS A 35 67.377 5.757 -9.508 1.00 0.00 S ATOM 0 H CYS A 35 64.366 4.427 -10.337 1.00 0.00 H new ATOM 0 HA CYS A 35 65.855 3.899 -7.746 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.123 6.538 -9.143 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.998 6.389 -7.632 1.00 0.00 H new ATOM 0 HG CYS A 35 68.310 6.419 -8.890 1.00 0.00 H new ATOM 535 N ILE A 36 63.811 4.461 -6.399 1.00 0.00 N ATOM 536 CA ILE A 36 62.501 4.541 -5.691 1.00 0.00 C ATOM 537 C ILE A 36 62.403 5.839 -4.888 1.00 0.00 C ATOM 538 O ILE A 36 63.390 6.498 -4.627 1.00 0.00 O ATOM 539 CB ILE A 36 62.473 3.329 -4.761 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.566 3.474 -3.701 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.719 2.058 -5.574 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.290 2.509 -2.546 1.00 0.00 C ATOM 0 H ILE A 36 64.620 4.285 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 36 61.661 4.539 -6.386 1.00 0.00 H new ATOM 0 HB ILE A 36 61.500 3.267 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.542 3.264 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.596 4.499 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.699 1.193 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.941 1.954 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.692 2.120 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.069 2.613 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.322 2.740 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.282 1.486 -2.921 1.00 0.00 H new ATOM 554 N SER A 37 61.216 6.212 -4.496 1.00 0.00 N ATOM 555 CA SER A 37 61.048 7.468 -3.710 1.00 0.00 C ATOM 556 C SER A 37 61.334 7.210 -2.229 1.00 0.00 C ATOM 557 O SER A 37 60.849 6.259 -1.649 1.00 0.00 O ATOM 558 CB SER A 37 59.587 7.866 -3.913 1.00 0.00 C ATOM 559 OG SER A 37 59.475 9.281 -3.861 1.00 0.00 O ATOM 0 H SER A 37 60.354 5.701 -4.686 1.00 0.00 H new ATOM 0 HA SER A 37 61.734 8.252 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.227 7.496 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 58.964 7.412 -3.143 1.00 0.00 H new ATOM 0 HG SER A 37 58.539 9.540 -3.993 1.00 0.00 H new ATOM 565 N THR A 38 62.119 8.051 -1.613 1.00 0.00 N ATOM 566 CA THR A 38 62.435 7.855 -0.170 1.00 0.00 C ATOM 567 C THR A 38 61.151 7.576 0.616 1.00 0.00 C ATOM 568 O THR A 38 61.159 6.885 1.616 1.00 0.00 O ATOM 569 CB THR A 38 63.065 9.173 0.281 1.00 0.00 C ATOM 570 OG1 THR A 38 62.380 10.256 -0.331 1.00 0.00 O ATOM 571 CG2 THR A 38 64.539 9.203 -0.127 1.00 0.00 C ATOM 0 H THR A 38 62.555 8.865 -2.046 1.00 0.00 H new ATOM 0 HA THR A 38 63.101 7.009 -0.003 1.00 0.00 H new ATOM 0 HB THR A 38 62.990 9.260 1.365 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.671 10.342 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.987 10.143 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 38 65.064 8.371 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.618 9.116 -1.211 1.00 0.00 H new ATOM 579 N LYS A 39 60.045 8.110 0.171 1.00 0.00 N ATOM 580 CA LYS A 39 58.761 7.875 0.890 1.00 0.00 C ATOM 581 C LYS A 39 58.217 6.485 0.554 1.00 0.00 C ATOM 582 O LYS A 39 57.299 5.997 1.184 1.00 0.00 O ATOM 583 CB LYS A 39 57.814 8.960 0.377 1.00 0.00 C ATOM 584 CG LYS A 39 58.304 10.330 0.846 1.00 0.00 C ATOM 585 CD LYS A 39 57.661 11.422 -0.011 1.00 0.00 C ATOM 586 CE LYS A 39 58.437 11.567 -1.322 1.00 0.00 C ATOM 587 NZ LYS A 39 57.956 12.847 -1.913 1.00 0.00 N ATOM 0 H LYS A 39 59.976 8.699 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 39 58.879 7.918 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.768 8.932 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.804 8.779 0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.050 10.479 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.390 10.385 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.621 11.171 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.659 12.369 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 39 59.512 11.594 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 39 58.245 10.727 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 58.443 13.017 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.931 12.790 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 58.158 13.629 -1.258 1.00 0.00 H new ATOM 601 N GLU A 40 58.776 5.844 -0.436 1.00 0.00 N ATOM 602 CA GLU A 40 58.293 4.485 -0.814 1.00 0.00 C ATOM 603 C GLU A 40 59.183 3.414 -0.178 1.00 0.00 C ATOM 604 O GLU A 40 58.711 2.386 0.268 1.00 0.00 O ATOM 605 CB GLU A 40 58.398 4.437 -2.338 1.00 0.00 C ATOM 606 CG GLU A 40 57.475 5.493 -2.947 1.00 0.00 C ATOM 607 CD GLU A 40 56.053 4.938 -3.039 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.840 4.039 -3.835 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.201 5.421 -2.312 1.00 0.00 O ATOM 0 H GLU A 40 59.547 6.203 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 40 57.276 4.296 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.427 4.616 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.124 3.446 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.485 6.396 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.831 5.775 -3.938 1.00 0.00 H new ATOM 616 N LEU A 41 60.467 3.646 -0.133 1.00 0.00 N ATOM 617 CA LEU A 41 61.384 2.641 0.476 1.00 0.00 C ATOM 618 C LEU A 41 60.776 2.094 1.770 1.00 0.00 C ATOM 619 O LEU A 41 60.991 0.955 2.135 1.00 0.00 O ATOM 620 CB LEU A 41 62.675 3.406 0.768 1.00 0.00 C ATOM 621 CG LEU A 41 63.672 2.481 1.467 1.00 0.00 C ATOM 622 CD1 LEU A 41 65.078 2.734 0.918 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.656 2.758 2.972 1.00 0.00 C ATOM 0 H LEU A 41 60.920 4.487 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 41 61.559 1.788 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 41 63.103 3.784 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.463 4.271 1.397 1.00 0.00 H new ATOM 0 HG LEU A 41 63.393 1.443 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.788 2.074 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.091 2.537 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 41 65.358 3.772 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.367 2.099 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.935 3.796 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.656 2.577 3.365 1.00 0.00 H new ATOM 635 N GLY A 42 60.016 2.896 2.465 1.00 0.00 N ATOM 636 CA GLY A 42 59.392 2.418 3.730 1.00 0.00 C ATOM 637 C GLY A 42 58.602 1.140 3.450 1.00 0.00 C ATOM 638 O GLY A 42 58.769 0.136 4.112 1.00 0.00 O ATOM 0 H GLY A 42 59.801 3.860 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 42 60.161 2.228 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.733 3.185 4.137 1.00 0.00 H new ATOM 642 N LYS A 43 57.742 1.169 2.468 1.00 0.00 N ATOM 643 CA LYS A 43 56.942 -0.047 2.140 1.00 0.00 C ATOM 644 C LYS A 43 57.865 -1.158 1.633 1.00 0.00 C ATOM 645 O LYS A 43 57.571 -2.330 1.760 1.00 0.00 O ATOM 646 CB LYS A 43 55.980 0.397 1.038 1.00 0.00 C ATOM 647 CG LYS A 43 54.847 1.222 1.651 1.00 0.00 C ATOM 648 CD LYS A 43 54.685 2.528 0.871 1.00 0.00 C ATOM 649 CE LYS A 43 53.448 3.275 1.373 1.00 0.00 C ATOM 650 NZ LYS A 43 52.370 2.249 1.418 1.00 0.00 N ATOM 0 H LYS A 43 57.559 1.981 1.879 1.00 0.00 H new ATOM 0 HA LYS A 43 56.411 -0.442 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.512 0.988 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.573 -0.473 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 43 53.917 0.655 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 55.064 1.436 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.572 3.149 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 43 54.588 2.318 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.621 3.709 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.184 4.095 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 51.449 2.706 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.533 1.541 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.374 1.782 2.347 1.00 0.00 H new ATOM 664 N VAL A 44 58.982 -0.796 1.062 1.00 0.00 N ATOM 665 CA VAL A 44 59.927 -1.828 0.549 1.00 0.00 C ATOM 666 C VAL A 44 60.690 -2.462 1.717 1.00 0.00 C ATOM 667 O VAL A 44 61.022 -3.630 1.694 1.00 0.00 O ATOM 668 CB VAL A 44 60.875 -1.061 -0.381 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.201 -1.811 -0.525 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.224 -0.923 -1.758 1.00 0.00 C ATOM 0 H VAL A 44 59.281 0.170 0.929 1.00 0.00 H new ATOM 0 HA VAL A 44 59.424 -2.642 0.027 1.00 0.00 H new ATOM 0 HB VAL A 44 61.069 -0.076 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.864 -1.255 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.669 -1.913 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.016 -2.800 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.893 -0.378 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.030 -1.913 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.284 -0.379 -1.663 1.00 0.00 H new ATOM 680 N MET A 45 60.969 -1.699 2.739 1.00 0.00 N ATOM 681 CA MET A 45 61.708 -2.258 3.907 1.00 0.00 C ATOM 682 C MET A 45 60.849 -3.303 4.625 1.00 0.00 C ATOM 683 O MET A 45 61.334 -4.334 5.047 1.00 0.00 O ATOM 684 CB MET A 45 61.971 -1.061 4.820 1.00 0.00 C ATOM 685 CG MET A 45 63.239 -0.339 4.363 1.00 0.00 C ATOM 686 SD MET A 45 64.671 -1.415 4.619 1.00 0.00 S ATOM 687 CE MET A 45 65.785 -0.155 5.286 1.00 0.00 C ATOM 0 H MET A 45 60.717 -0.714 2.816 1.00 0.00 H new ATOM 0 HA MET A 45 62.632 -2.755 3.612 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.122 -0.378 4.795 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.082 -1.395 5.852 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.157 -0.069 3.310 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.363 0.589 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.819 -0.461 5.124 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.604 0.794 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 45 65.605 -0.039 6.355 1.00 0.00 H new ATOM 697 N ARG A 46 59.578 -3.044 4.765 1.00 0.00 N ATOM 698 CA ARG A 46 58.691 -4.023 5.456 1.00 0.00 C ATOM 699 C ARG A 46 58.339 -5.177 4.514 1.00 0.00 C ATOM 700 O ARG A 46 57.930 -6.238 4.941 1.00 0.00 O ATOM 701 CB ARG A 46 57.437 -3.231 5.823 1.00 0.00 C ATOM 702 CG ARG A 46 56.639 -2.936 4.555 1.00 0.00 C ATOM 703 CD ARG A 46 55.426 -3.868 4.485 1.00 0.00 C ATOM 704 NE ARG A 46 54.260 -3.008 4.828 1.00 0.00 N ATOM 705 CZ ARG A 46 53.611 -3.203 5.942 1.00 0.00 C ATOM 706 NH1 ARG A 46 54.188 -2.955 7.087 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.383 -3.644 5.913 1.00 0.00 N ATOM 0 H ARG A 46 59.116 -2.198 4.431 1.00 0.00 H new ATOM 0 HA ARG A 46 59.167 -4.463 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.828 -3.798 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 46 57.713 -2.300 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 46 56.312 -1.896 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.269 -3.075 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.318 -4.301 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 46 55.524 -4.697 5.185 1.00 0.00 H new ATOM 0 HE ARG A 46 53.969 -2.266 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 46 55.147 -2.608 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.680 -3.108 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 46 51.931 -3.836 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 46 51.875 -3.797 6.784 1.00 0.00 H new ATOM 721 N MET A 47 58.494 -4.978 3.233 1.00 0.00 N ATOM 722 CA MET A 47 58.168 -6.062 2.263 1.00 0.00 C ATOM 723 C MET A 47 58.982 -7.320 2.578 1.00 0.00 C ATOM 724 O MET A 47 58.557 -8.428 2.314 1.00 0.00 O ATOM 725 CB MET A 47 58.558 -5.501 0.895 1.00 0.00 C ATOM 726 CG MET A 47 57.308 -4.989 0.177 1.00 0.00 C ATOM 727 SD MET A 47 56.969 -6.034 -1.263 1.00 0.00 S ATOM 728 CE MET A 47 57.361 -4.805 -2.531 1.00 0.00 C ATOM 0 H MET A 47 58.833 -4.111 2.816 1.00 0.00 H new ATOM 0 HA MET A 47 57.117 -6.347 2.303 1.00 0.00 H new ATOM 0 HB2 MET A 47 59.279 -4.692 1.014 1.00 0.00 H new ATOM 0 HB3 MET A 47 59.042 -6.274 0.298 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.455 -4.999 0.856 1.00 0.00 H new ATOM 0 HG3 MET A 47 57.453 -3.955 -0.136 1.00 0.00 H new ATOM 0 HE1 MET A 47 56.564 -4.783 -3.275 1.00 0.00 H new ATOM 0 HE2 MET A 47 57.454 -3.822 -2.069 1.00 0.00 H new ATOM 0 HE3 MET A 47 58.302 -5.069 -3.015 1.00 0.00 H new ATOM 738 N LEU A 48 60.150 -7.159 3.138 1.00 0.00 N ATOM 739 CA LEU A 48 60.988 -8.348 3.465 1.00 0.00 C ATOM 740 C LEU A 48 61.036 -8.566 4.981 1.00 0.00 C ATOM 741 O LEU A 48 61.388 -9.627 5.454 1.00 0.00 O ATOM 742 CB LEU A 48 62.379 -8.009 2.928 1.00 0.00 C ATOM 743 CG LEU A 48 62.381 -8.133 1.403 1.00 0.00 C ATOM 744 CD1 LEU A 48 61.892 -6.823 0.784 1.00 0.00 C ATOM 745 CD2 LEU A 48 63.802 -8.426 0.918 1.00 0.00 C ATOM 0 H LEU A 48 60.560 -6.258 3.383 1.00 0.00 H new ATOM 0 HA LEU A 48 60.592 -9.264 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.657 -6.997 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.121 -8.681 3.359 1.00 0.00 H new ATOM 0 HG LEU A 48 61.719 -8.946 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 48 61.893 -6.911 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 48 60.880 -6.613 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 48 62.554 -6.010 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 48 63.805 -8.515 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.464 -7.613 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.152 -9.359 1.359 1.00 0.00 H new ATOM 757 N GLY A 49 60.683 -7.568 5.744 1.00 0.00 N ATOM 758 CA GLY A 49 60.707 -7.721 7.226 1.00 0.00 C ATOM 759 C GLY A 49 61.129 -6.398 7.869 1.00 0.00 C ATOM 760 O GLY A 49 60.458 -5.878 8.738 1.00 0.00 O ATOM 0 H GLY A 49 60.380 -6.655 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.722 -8.015 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.400 -8.513 7.509 1.00 0.00 H new ATOM 764 N GLN A 50 62.235 -5.849 7.447 1.00 0.00 N ATOM 765 CA GLN A 50 62.697 -4.558 8.033 1.00 0.00 C ATOM 766 C GLN A 50 61.518 -3.595 8.190 1.00 0.00 C ATOM 767 O GLN A 50 60.795 -3.326 7.251 1.00 0.00 O ATOM 768 CB GLN A 50 63.710 -4.008 7.028 1.00 0.00 C ATOM 769 CG GLN A 50 65.068 -4.676 7.252 1.00 0.00 C ATOM 770 CD GLN A 50 65.979 -3.732 8.040 1.00 0.00 C ATOM 771 OE1 GLN A 50 65.514 -2.957 8.851 1.00 0.00 O ATOM 772 NE2 GLN A 50 67.268 -3.765 7.833 1.00 0.00 N ATOM 0 H GLN A 50 62.839 -6.238 6.722 1.00 0.00 H new ATOM 0 HA GLN A 50 63.134 -4.687 9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 50 63.366 -4.193 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 50 63.801 -2.928 7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.939 -5.612 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 50 65.525 -4.924 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 50 67.659 -4.416 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 50 67.884 -3.140 8.353 1.00 0.00 H new ATOM 781 N ASN A 51 61.319 -3.073 9.370 1.00 0.00 N ATOM 782 CA ASN A 51 60.186 -2.128 9.585 1.00 0.00 C ATOM 783 C ASN A 51 60.666 -0.896 10.357 1.00 0.00 C ATOM 784 O ASN A 51 60.274 -0.678 11.486 1.00 0.00 O ATOM 785 CB ASN A 51 59.167 -2.912 10.411 1.00 0.00 C ATOM 786 CG ASN A 51 58.201 -3.642 9.475 1.00 0.00 C ATOM 787 OD1 ASN A 51 58.055 -3.274 8.326 1.00 0.00 O ATOM 788 ND2 ASN A 51 57.529 -4.669 9.921 1.00 0.00 N ATOM 0 H ASN A 51 61.891 -3.260 10.193 1.00 0.00 H new ATOM 0 HA ASN A 51 59.762 -1.771 8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 51 59.679 -3.629 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.615 -2.236 11.064 1.00 0.00 H new ATOM 0 HD21 ASN A 51 56.882 -5.162 9.305 1.00 0.00 H new ATOM 0 HD22 ASN A 51 57.651 -4.979 10.885 1.00 0.00 H new ATOM 795 N PRO A 52 61.504 -0.129 9.716 1.00 0.00 N ATOM 796 CA PRO A 52 62.049 1.098 10.346 1.00 0.00 C ATOM 797 C PRO A 52 60.980 2.192 10.397 1.00 0.00 C ATOM 798 O PRO A 52 59.834 1.969 10.058 1.00 0.00 O ATOM 799 CB PRO A 52 63.194 1.498 9.420 1.00 0.00 C ATOM 800 CG PRO A 52 62.847 0.903 8.091 1.00 0.00 C ATOM 801 CD PRO A 52 62.019 -0.329 8.357 1.00 0.00 C ATOM 0 HA PRO A 52 62.374 0.944 11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.287 2.582 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.148 1.117 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.291 1.617 7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.750 0.648 7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.209 -0.428 7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.620 -1.236 8.288 1.00 0.00 H new ATOM 809 N THR A 53 61.343 3.371 10.818 1.00 0.00 N ATOM 810 CA THR A 53 60.345 4.477 10.890 1.00 0.00 C ATOM 811 C THR A 53 60.703 5.581 9.891 1.00 0.00 C ATOM 812 O THR A 53 61.854 5.762 9.549 1.00 0.00 O ATOM 813 CB THR A 53 60.436 5.001 12.324 1.00 0.00 C ATOM 814 OG1 THR A 53 59.741 6.236 12.419 1.00 0.00 O ATOM 815 CG2 THR A 53 61.903 5.208 12.701 1.00 0.00 C ATOM 0 H THR A 53 62.287 3.618 11.116 1.00 0.00 H new ATOM 0 HA THR A 53 59.338 4.140 10.642 1.00 0.00 H new ATOM 0 HB THR A 53 59.988 4.278 13.005 1.00 0.00 H new ATOM 0 HG1 THR A 53 59.797 6.573 13.338 1.00 0.00 H new ATOM 0 HG21 THR A 53 61.967 5.581 13.723 1.00 0.00 H new ATOM 0 HG22 THR A 53 62.435 4.259 12.627 1.00 0.00 H new ATOM 0 HG23 THR A 53 62.355 5.931 12.022 1.00 0.00 H new ATOM 823 N PRO A 54 59.694 6.285 9.458 1.00 0.00 N ATOM 824 CA PRO A 54 59.894 7.390 8.488 1.00 0.00 C ATOM 825 C PRO A 54 60.545 8.594 9.175 1.00 0.00 C ATOM 826 O PRO A 54 61.038 9.497 8.529 1.00 0.00 O ATOM 827 CB PRO A 54 58.476 7.726 8.032 1.00 0.00 C ATOM 828 CG PRO A 54 57.591 7.277 9.151 1.00 0.00 C ATOM 829 CD PRO A 54 58.284 6.121 9.828 1.00 0.00 C ATOM 0 HA PRO A 54 60.551 7.121 7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.364 8.794 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.228 7.212 7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.420 8.090 9.857 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.615 6.973 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.149 6.153 10.909 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.890 5.164 9.486 1.00 0.00 H new ATOM 837 N GLU A 55 60.550 8.614 10.480 1.00 0.00 N ATOM 838 CA GLU A 55 61.168 9.760 11.206 1.00 0.00 C ATOM 839 C GLU A 55 62.695 9.642 11.181 1.00 0.00 C ATOM 840 O GLU A 55 63.400 10.625 11.073 1.00 0.00 O ATOM 841 CB GLU A 55 60.644 9.649 12.639 1.00 0.00 C ATOM 842 CG GLU A 55 59.692 10.812 12.928 1.00 0.00 C ATOM 843 CD GLU A 55 60.286 11.698 14.025 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.664 11.162 15.053 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.352 12.898 13.818 1.00 0.00 O ATOM 0 H GLU A 55 60.153 7.887 11.075 1.00 0.00 H new ATOM 0 HA GLU A 55 60.917 10.719 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.126 8.699 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.476 9.663 13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 55 59.529 11.396 12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 55 58.720 10.431 13.240 1.00 0.00 H new ATOM 852 N GLU A 56 63.210 8.448 11.283 1.00 0.00 N ATOM 853 CA GLU A 56 64.691 8.270 11.266 1.00 0.00 C ATOM 854 C GLU A 56 65.193 8.145 9.824 1.00 0.00 C ATOM 855 O GLU A 56 66.253 8.632 9.480 1.00 0.00 O ATOM 856 CB GLU A 56 64.945 6.973 12.036 1.00 0.00 C ATOM 857 CG GLU A 56 65.654 7.292 13.353 1.00 0.00 C ATOM 858 CD GLU A 56 65.370 6.182 14.367 1.00 0.00 C ATOM 859 OE1 GLU A 56 64.362 5.511 14.214 1.00 0.00 O ATOM 860 OE2 GLU A 56 66.165 6.021 15.278 1.00 0.00 O ATOM 0 H GLU A 56 62.670 7.588 11.377 1.00 0.00 H new ATOM 0 HA GLU A 56 65.213 9.117 11.712 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.002 6.464 12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.554 6.296 11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.728 7.382 13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.309 8.251 13.741 1.00 0.00 H new ATOM 867 N LEU A 57 64.441 7.495 8.978 1.00 0.00 N ATOM 868 CA LEU A 57 64.876 7.338 7.560 1.00 0.00 C ATOM 869 C LEU A 57 65.220 8.702 6.956 1.00 0.00 C ATOM 870 O LEU A 57 66.007 8.803 6.035 1.00 0.00 O ATOM 871 CB LEU A 57 63.673 6.723 6.844 1.00 0.00 C ATOM 872 CG LEU A 57 63.720 5.201 6.981 1.00 0.00 C ATOM 873 CD1 LEU A 57 62.298 4.657 7.127 1.00 0.00 C ATOM 874 CD2 LEU A 57 64.369 4.597 5.733 1.00 0.00 C ATOM 0 H LEU A 57 63.544 7.066 9.207 1.00 0.00 H new ATOM 0 HA LEU A 57 65.768 6.718 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.747 7.108 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 57 63.681 7.004 5.791 1.00 0.00 H new ATOM 0 HG LEU A 57 64.304 4.934 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 57 62.332 3.572 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 57 61.833 5.087 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 61.714 4.924 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 57 64.403 3.512 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 57 63.784 4.865 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 57 65.383 4.984 5.627 1.00 0.00 H new ATOM 886 N GLN A 58 64.635 9.752 7.464 1.00 0.00 N ATOM 887 CA GLN A 58 64.930 11.107 6.917 1.00 0.00 C ATOM 888 C GLN A 58 66.331 11.556 7.341 1.00 0.00 C ATOM 889 O GLN A 58 67.087 12.089 6.553 1.00 0.00 O ATOM 890 CB GLN A 58 63.866 12.020 7.527 1.00 0.00 C ATOM 891 CG GLN A 58 62.479 11.573 7.061 1.00 0.00 C ATOM 892 CD GLN A 58 62.074 12.373 5.822 1.00 0.00 C ATOM 893 OE1 GLN A 58 62.060 13.588 5.847 1.00 0.00 O ATOM 894 NE2 GLN A 58 61.742 11.739 4.731 1.00 0.00 N ATOM 0 H GLN A 58 63.966 9.730 8.234 1.00 0.00 H new ATOM 0 HA GLN A 58 64.908 11.126 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.924 11.986 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.045 13.053 7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.487 10.507 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.750 11.723 7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 58 61.754 10.719 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 58 61.471 12.263 3.899 1.00 0.00 H new ATOM 903 N GLU A 59 66.682 11.345 8.579 1.00 0.00 N ATOM 904 CA GLU A 59 68.034 11.759 9.053 1.00 0.00 C ATOM 905 C GLU A 59 69.118 11.049 8.237 1.00 0.00 C ATOM 906 O GLU A 59 70.258 11.468 8.204 1.00 0.00 O ATOM 907 CB GLU A 59 68.090 11.321 10.517 1.00 0.00 C ATOM 908 CG GLU A 59 69.419 11.764 11.131 1.00 0.00 C ATOM 909 CD GLU A 59 69.796 10.816 12.271 1.00 0.00 C ATOM 910 OE1 GLU A 59 69.942 9.633 12.008 1.00 0.00 O ATOM 911 OE2 GLU A 59 69.931 11.288 13.388 1.00 0.00 O ATOM 0 H GLU A 59 66.091 10.904 9.284 1.00 0.00 H new ATOM 0 HA GLU A 59 68.203 12.830 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 67.258 11.757 11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.987 10.238 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 59 70.200 11.765 10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 59 69.337 12.785 11.505 1.00 0.00 H new ATOM 918 N MET A 60 68.771 9.978 7.578 1.00 0.00 N ATOM 919 CA MET A 60 69.783 9.244 6.764 1.00 0.00 C ATOM 920 C MET A 60 69.692 9.672 5.297 1.00 0.00 C ATOM 921 O MET A 60 70.659 10.110 4.707 1.00 0.00 O ATOM 922 CB MET A 60 69.419 7.767 6.917 1.00 0.00 C ATOM 923 CG MET A 60 70.434 7.084 7.835 1.00 0.00 C ATOM 924 SD MET A 60 69.610 5.783 8.784 1.00 0.00 S ATOM 925 CE MET A 60 69.910 4.430 7.621 1.00 0.00 C ATOM 0 H MET A 60 67.832 9.579 7.567 1.00 0.00 H new ATOM 0 HA MET A 60 70.803 9.447 7.091 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.415 7.670 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.410 7.281 5.942 1.00 0.00 H new ATOM 0 HG2 MET A 60 71.246 6.659 7.245 1.00 0.00 H new ATOM 0 HG3 MET A 60 70.879 7.815 8.510 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.950 3.486 8.164 1.00 0.00 H new ATOM 0 HE2 MET A 60 69.103 4.394 6.889 1.00 0.00 H new ATOM 0 HE3 MET A 60 70.858 4.594 7.108 1.00 0.00 H new ATOM 935 N ILE A 61 68.535 9.551 4.704 1.00 0.00 N ATOM 936 CA ILE A 61 68.383 9.952 3.276 1.00 0.00 C ATOM 937 C ILE A 61 68.984 11.343 3.052 1.00 0.00 C ATOM 938 O ILE A 61 69.707 11.573 2.104 1.00 0.00 O ATOM 939 CB ILE A 61 66.874 9.972 3.028 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.362 8.537 2.892 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.576 10.742 1.739 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.852 8.508 3.138 1.00 0.00 C ATOM 0 H ILE A 61 67.689 9.192 5.146 1.00 0.00 H new ATOM 0 HA ILE A 61 68.897 9.271 2.598 1.00 0.00 H new ATOM 0 HB ILE A 61 66.376 10.460 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.586 8.152 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.870 7.889 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.500 10.755 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.941 11.765 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.074 10.255 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.487 7.485 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.640 8.875 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.352 9.143 2.406 1.00 0.00 H new ATOM 954 N ASP A 62 68.687 12.273 3.918 1.00 0.00 N ATOM 955 CA ASP A 62 69.240 13.648 3.755 1.00 0.00 C ATOM 956 C ASP A 62 70.765 13.627 3.894 1.00 0.00 C ATOM 957 O ASP A 62 71.448 14.538 3.471 1.00 0.00 O ATOM 958 CB ASP A 62 68.609 14.464 4.884 1.00 0.00 C ATOM 959 CG ASP A 62 67.519 15.371 4.310 1.00 0.00 C ATOM 960 OD1 ASP A 62 67.258 15.272 3.122 1.00 0.00 O ATOM 961 OD2 ASP A 62 66.964 16.149 5.068 1.00 0.00 O ATOM 0 H ASP A 62 68.086 12.141 4.731 1.00 0.00 H new ATOM 0 HA ASP A 62 69.018 14.069 2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.184 13.798 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.370 15.063 5.383 1.00 0.00 H new ATOM 966 N GLU A 63 71.303 12.595 4.483 1.00 0.00 N ATOM 967 CA GLU A 63 72.779 12.516 4.649 1.00 0.00 C ATOM 968 C GLU A 63 73.365 11.536 3.625 1.00 0.00 C ATOM 969 O GLU A 63 74.387 11.793 3.019 1.00 0.00 O ATOM 970 CB GLU A 63 72.973 12.016 6.088 1.00 0.00 C ATOM 971 CG GLU A 63 74.229 11.148 6.189 1.00 0.00 C ATOM 972 CD GLU A 63 74.852 11.307 7.577 1.00 0.00 C ATOM 973 OE1 GLU A 63 74.176 11.823 8.452 1.00 0.00 O ATOM 974 OE2 GLU A 63 75.994 10.910 7.741 1.00 0.00 O ATOM 0 H GLU A 63 70.782 11.802 4.857 1.00 0.00 H new ATOM 0 HA GLU A 63 73.284 13.468 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 63 73.055 12.865 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 63 72.101 11.442 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 63 73.976 10.103 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 63 74.947 11.438 5.422 1.00 0.00 H new ATOM 981 N VAL A 64 72.725 10.418 3.430 1.00 0.00 N ATOM 982 CA VAL A 64 73.241 9.422 2.448 1.00 0.00 C ATOM 983 C VAL A 64 72.755 9.773 1.041 1.00 0.00 C ATOM 984 O VAL A 64 73.494 9.699 0.079 1.00 0.00 O ATOM 985 CB VAL A 64 72.654 8.085 2.903 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.167 8.031 2.549 1.00 0.00 C ATOM 987 CG2 VAL A 64 73.386 6.939 2.202 1.00 0.00 C ATOM 0 H VAL A 64 71.865 10.149 3.909 1.00 0.00 H new ATOM 0 HA VAL A 64 74.330 9.398 2.410 1.00 0.00 H new ATOM 0 HB VAL A 64 72.774 7.987 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.750 7.078 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.644 8.845 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 64 71.046 8.131 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.967 5.987 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.268 7.038 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.445 6.975 2.456 1.00 0.00 H new ATOM 997 N ASP A 65 71.515 10.154 0.917 1.00 0.00 N ATOM 998 CA ASP A 65 70.970 10.511 -0.423 1.00 0.00 C ATOM 999 C ASP A 65 71.467 11.896 -0.846 1.00 0.00 C ATOM 1000 O ASP A 65 70.689 12.803 -1.069 1.00 0.00 O ATOM 1001 CB ASP A 65 69.452 10.518 -0.242 1.00 0.00 C ATOM 1002 CG ASP A 65 68.777 10.125 -1.558 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.964 8.996 -1.984 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.084 10.958 -2.118 1.00 0.00 O ATOM 0 H ASP A 65 70.853 10.234 1.689 1.00 0.00 H new ATOM 0 HA ASP A 65 71.286 9.812 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.166 9.822 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.117 11.508 0.069 1.00 0.00 H new ATOM 1043 N SER A 69 68.281 12.782 -3.988 1.00 0.00 N ATOM 1044 CA SER A 69 67.279 13.888 -4.000 1.00 0.00 C ATOM 1045 C SER A 69 65.884 13.338 -3.689 1.00 0.00 C ATOM 1046 O SER A 69 64.958 13.497 -4.461 1.00 0.00 O ATOM 1047 CB SER A 69 67.326 14.455 -5.418 1.00 0.00 C ATOM 1048 OG SER A 69 67.573 15.854 -5.356 1.00 0.00 O ATOM 0 HA SER A 69 67.497 14.649 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.109 13.961 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.383 14.263 -5.930 1.00 0.00 H new ATOM 0 HG SER A 69 67.606 16.221 -6.264 1.00 0.00 H new ATOM 1054 N GLY A 70 65.726 12.692 -2.567 1.00 0.00 N ATOM 1055 CA GLY A 70 64.391 12.134 -2.211 1.00 0.00 C ATOM 1056 C GLY A 70 64.205 10.774 -2.886 1.00 0.00 C ATOM 1057 O GLY A 70 63.186 10.129 -2.734 1.00 0.00 O ATOM 0 H GLY A 70 66.463 12.526 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 70 64.307 12.029 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 70 63.604 12.819 -2.527 1.00 0.00 H new ATOM 1061 N THR A 71 65.181 10.328 -3.630 1.00 0.00 N ATOM 1062 CA THR A 71 65.056 9.006 -4.309 1.00 0.00 C ATOM 1063 C THR A 71 66.357 8.213 -4.163 1.00 0.00 C ATOM 1064 O THR A 71 67.438 8.732 -4.362 1.00 0.00 O ATOM 1065 CB THR A 71 64.790 9.337 -5.778 1.00 0.00 C ATOM 1066 OG1 THR A 71 65.729 10.303 -6.223 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.372 9.892 -5.929 1.00 0.00 C ATOM 0 H THR A 71 66.058 10.821 -3.797 1.00 0.00 H new ATOM 0 HA THR A 71 64.262 8.395 -3.880 1.00 0.00 H new ATOM 0 HB THR A 71 64.889 8.432 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.626 10.052 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.183 10.128 -6.976 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.652 9.148 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.270 10.796 -5.329 1.00 0.00 H new ATOM 1075 N VAL A 72 66.262 6.960 -3.814 1.00 0.00 N ATOM 1076 CA VAL A 72 67.498 6.134 -3.653 1.00 0.00 C ATOM 1077 C VAL A 72 67.657 5.155 -4.814 1.00 0.00 C ATOM 1078 O VAL A 72 66.715 4.837 -5.513 1.00 0.00 O ATOM 1079 CB VAL A 72 67.330 5.352 -2.344 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.770 6.222 -1.174 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.869 4.936 -2.149 1.00 0.00 C ATOM 0 H VAL A 72 65.386 6.471 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 72 68.383 6.770 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 72 67.946 4.454 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.651 5.667 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.817 6.499 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.158 7.123 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.770 4.382 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.239 5.825 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.557 4.304 -2.980 1.00 0.00 H new ATOM 1091 N ASP A 73 68.848 4.664 -5.006 1.00 0.00 N ATOM 1092 CA ASP A 73 69.093 3.686 -6.099 1.00 0.00 C ATOM 1093 C ASP A 73 69.520 2.352 -5.485 1.00 0.00 C ATOM 1094 O ASP A 73 69.740 2.255 -4.294 1.00 0.00 O ATOM 1095 CB ASP A 73 70.229 4.289 -6.927 1.00 0.00 C ATOM 1096 CG ASP A 73 69.949 5.773 -7.176 1.00 0.00 C ATOM 1097 OD1 ASP A 73 69.869 6.511 -6.208 1.00 0.00 O ATOM 1098 OD2 ASP A 73 69.823 6.145 -8.330 1.00 0.00 O ATOM 0 H ASP A 73 69.668 4.901 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 73 68.211 3.501 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 73 71.177 4.170 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.321 3.761 -7.876 1.00 0.00 H new ATOM 1103 N PHE A 74 69.642 1.324 -6.274 1.00 0.00 N ATOM 1104 CA PHE A 74 70.056 0.011 -5.703 1.00 0.00 C ATOM 1105 C PHE A 74 71.384 0.161 -4.955 1.00 0.00 C ATOM 1106 O PHE A 74 71.756 -0.678 -4.157 1.00 0.00 O ATOM 1107 CB PHE A 74 70.213 -0.920 -6.905 1.00 0.00 C ATOM 1108 CG PHE A 74 70.113 -2.354 -6.444 1.00 0.00 C ATOM 1109 CD1 PHE A 74 68.888 -2.861 -5.995 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.245 -3.177 -6.464 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.795 -4.189 -5.566 1.00 0.00 C ATOM 1112 CE2 PHE A 74 71.153 -4.506 -6.035 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.927 -5.012 -5.585 1.00 0.00 C ATOM 0 H PHE A 74 69.475 1.333 -7.280 1.00 0.00 H new ATOM 0 HA PHE A 74 69.330 -0.377 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.441 -0.710 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.174 -0.748 -7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.014 -2.226 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.190 -2.786 -6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 74 67.849 -4.580 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 74 72.027 -5.141 -6.051 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.855 -6.037 -5.253 1.00 0.00 H new ATOM 1123 N ASP A 75 72.098 1.226 -5.199 1.00 0.00 N ATOM 1124 CA ASP A 75 73.396 1.429 -4.496 1.00 0.00 C ATOM 1125 C ASP A 75 73.150 1.972 -3.085 1.00 0.00 C ATOM 1126 O ASP A 75 73.703 1.487 -2.118 1.00 0.00 O ATOM 1127 CB ASP A 75 74.152 2.454 -5.343 1.00 0.00 C ATOM 1128 CG ASP A 75 75.154 1.732 -6.245 1.00 0.00 C ATOM 1129 OD1 ASP A 75 74.716 1.000 -7.118 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.342 1.922 -6.048 1.00 0.00 O ATOM 0 H ASP A 75 71.839 1.963 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 75 73.957 0.501 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 75 73.451 3.029 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.672 3.162 -4.698 1.00 0.00 H new ATOM 1135 N GLU A 76 72.321 2.973 -2.958 1.00 0.00 N ATOM 1136 CA GLU A 76 72.039 3.542 -1.609 1.00 0.00 C ATOM 1137 C GLU A 76 71.089 2.619 -0.840 1.00 0.00 C ATOM 1138 O GLU A 76 71.367 2.212 0.269 1.00 0.00 O ATOM 1139 CB GLU A 76 71.380 4.894 -1.878 1.00 0.00 C ATOM 1140 CG GLU A 76 72.352 5.791 -2.647 1.00 0.00 C ATOM 1141 CD GLU A 76 71.734 7.178 -2.833 1.00 0.00 C ATOM 1142 OE1 GLU A 76 70.559 7.325 -2.539 1.00 0.00 O ATOM 1143 OE2 GLU A 76 72.445 8.069 -3.266 1.00 0.00 O ATOM 0 H GLU A 76 71.827 3.421 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 76 72.940 3.646 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.464 4.756 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.099 5.367 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 76 73.294 5.872 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 76 72.579 5.350 -3.618 1.00 0.00 H new ATOM 1150 N PHE A 77 69.971 2.284 -1.424 1.00 0.00 N ATOM 1151 CA PHE A 77 69.008 1.384 -0.727 1.00 0.00 C ATOM 1152 C PHE A 77 69.757 0.231 -0.053 1.00 0.00 C ATOM 1153 O PHE A 77 69.620 -0.004 1.132 1.00 0.00 O ATOM 1154 CB PHE A 77 68.092 0.855 -1.830 1.00 0.00 C ATOM 1155 CG PHE A 77 67.077 -0.091 -1.234 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.470 0.215 -0.010 1.00 0.00 C ATOM 1157 CD2 PHE A 77 66.743 -1.273 -1.905 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.529 -0.661 0.543 1.00 0.00 C ATOM 1159 CE2 PHE A 77 65.801 -2.149 -1.353 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.194 -1.844 -0.129 1.00 0.00 C ATOM 0 H PHE A 77 69.683 2.594 -2.352 1.00 0.00 H new ATOM 0 HA PHE A 77 68.450 1.901 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.585 1.684 -2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.680 0.341 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.728 1.127 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.212 -1.509 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.061 -0.425 1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 77 65.542 -3.060 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 77 64.468 -2.520 0.297 1.00 0.00 H new ATOM 1170 N LEU A 78 70.552 -0.488 -0.799 1.00 0.00 N ATOM 1171 CA LEU A 78 71.311 -1.624 -0.201 1.00 0.00 C ATOM 1172 C LEU A 78 72.136 -1.135 0.992 1.00 0.00 C ATOM 1173 O LEU A 78 72.137 -1.735 2.048 1.00 0.00 O ATOM 1174 CB LEU A 78 72.229 -2.120 -1.320 1.00 0.00 C ATOM 1175 CG LEU A 78 71.601 -3.341 -1.995 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.578 -3.914 -3.024 1.00 0.00 C ATOM 1177 CD2 LEU A 78 71.293 -4.404 -0.939 1.00 0.00 C ATOM 0 H LEU A 78 70.709 -0.338 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 78 70.655 -2.413 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.387 -1.328 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.207 -2.379 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 78 70.678 -3.046 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 78 72.131 -4.784 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 78 72.799 -3.157 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.501 -4.210 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 78 70.845 -5.274 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 78 72.216 -4.699 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 78 70.598 -3.997 -0.205 1.00 0.00 H new ATOM 1189 N VAL A 79 72.836 -0.044 0.831 1.00 0.00 N ATOM 1190 CA VAL A 79 73.658 0.485 1.957 1.00 0.00 C ATOM 1191 C VAL A 79 72.778 0.702 3.190 1.00 0.00 C ATOM 1192 O VAL A 79 73.124 0.316 4.289 1.00 0.00 O ATOM 1193 CB VAL A 79 74.212 1.816 1.450 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.009 2.496 2.564 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.127 1.561 0.251 1.00 0.00 C ATOM 0 H VAL A 79 72.874 0.502 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 79 74.453 -0.200 2.250 1.00 0.00 H new ATOM 0 HB VAL A 79 73.387 2.462 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.404 3.445 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.358 2.677 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.834 1.851 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.523 2.509 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 79 75.951 0.915 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.559 1.077 -0.544 1.00 0.00 H new ATOM 1205 N MET A 80 71.639 1.315 3.015 1.00 0.00 N ATOM 1206 CA MET A 80 70.735 1.551 4.177 1.00 0.00 C ATOM 1207 C MET A 80 70.456 0.230 4.898 1.00 0.00 C ATOM 1208 O MET A 80 70.598 0.125 6.100 1.00 0.00 O ATOM 1209 CB MET A 80 69.450 2.115 3.571 1.00 0.00 C ATOM 1210 CG MET A 80 69.445 3.637 3.710 1.00 0.00 C ATOM 1211 SD MET A 80 69.939 4.388 2.139 1.00 0.00 S ATOM 1212 CE MET A 80 68.534 5.517 1.978 1.00 0.00 C ATOM 0 H MET A 80 71.296 1.662 2.119 1.00 0.00 H new ATOM 0 HA MET A 80 71.169 2.230 4.911 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.378 1.835 2.520 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.581 1.691 4.074 1.00 0.00 H new ATOM 0 HG2 MET A 80 68.452 3.984 3.995 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.128 3.943 4.502 1.00 0.00 H new ATOM 0 HE1 MET A 80 68.777 6.300 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 80 67.661 4.964 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.317 5.968 2.946 1.00 0.00 H new ATOM 1222 N MET A 81 70.065 -0.780 4.170 1.00 0.00 N ATOM 1223 CA MET A 81 69.783 -2.095 4.813 1.00 0.00 C ATOM 1224 C MET A 81 71.014 -2.569 5.589 1.00 0.00 C ATOM 1225 O MET A 81 70.928 -2.951 6.739 1.00 0.00 O ATOM 1226 CB MET A 81 69.480 -3.045 3.654 1.00 0.00 C ATOM 1227 CG MET A 81 67.988 -2.988 3.321 1.00 0.00 C ATOM 1228 SD MET A 81 67.036 -3.685 4.694 1.00 0.00 S ATOM 1229 CE MET A 81 66.952 -5.383 4.072 1.00 0.00 C ATOM 0 H MET A 81 69.929 -0.752 3.160 1.00 0.00 H new ATOM 0 HA MET A 81 68.957 -2.044 5.522 1.00 0.00 H new ATOM 0 HB2 MET A 81 70.069 -2.768 2.780 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.765 -4.063 3.921 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.684 -1.957 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 81 67.787 -3.545 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 81 66.641 -6.050 4.876 1.00 0.00 H new ATOM 0 HE2 MET A 81 66.231 -5.437 3.257 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.934 -5.686 3.708 1.00 0.00 H new ATOM 1239 N VAL A 82 72.161 -2.543 4.968 1.00 0.00 N ATOM 1240 CA VAL A 82 73.401 -2.987 5.667 1.00 0.00 C ATOM 1241 C VAL A 82 73.644 -2.116 6.902 1.00 0.00 C ATOM 1242 O VAL A 82 74.138 -2.575 7.912 1.00 0.00 O ATOM 1243 CB VAL A 82 74.521 -2.793 4.644 1.00 0.00 C ATOM 1244 CG1 VAL A 82 75.875 -2.825 5.354 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.464 -3.918 3.608 1.00 0.00 C ATOM 0 H VAL A 82 72.294 -2.233 4.005 1.00 0.00 H new ATOM 0 HA VAL A 82 73.339 -4.019 6.011 1.00 0.00 H new ATOM 0 HB VAL A 82 74.395 -1.831 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 82 76.672 -2.687 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 82 75.917 -2.025 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 82 76.002 -3.786 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.262 -3.781 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 82 74.590 -4.879 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 82 73.500 -3.896 3.100 1.00 0.00 H new ATOM 1255 N ARG A 83 73.296 -0.859 6.829 1.00 0.00 N ATOM 1256 CA ARG A 83 73.505 0.044 7.998 1.00 0.00 C ATOM 1257 C ARG A 83 72.415 -0.194 9.045 1.00 0.00 C ATOM 1258 O ARG A 83 72.603 0.056 10.219 1.00 0.00 O ATOM 1259 CB ARG A 83 73.402 1.458 7.427 1.00 0.00 C ATOM 1260 CG ARG A 83 74.073 2.446 8.384 1.00 0.00 C ATOM 1261 CD ARG A 83 74.358 3.756 7.646 1.00 0.00 C ATOM 1262 NE ARG A 83 74.760 4.716 8.711 1.00 0.00 N ATOM 1263 CZ ARG A 83 73.893 5.099 9.608 1.00 0.00 C ATOM 1264 NH1 ARG A 83 72.627 4.819 9.456 1.00 0.00 N ATOM 1265 NH2 ARG A 83 74.291 5.763 10.658 1.00 0.00 N ATOM 0 H ARG A 83 72.876 -0.418 6.010 1.00 0.00 H new ATOM 0 HA ARG A 83 74.462 -0.127 8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 83 73.880 1.502 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.356 1.728 7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 83 73.428 2.633 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 83 75.001 2.023 8.769 1.00 0.00 H new ATOM 0 HD2 ARG A 83 75.151 3.630 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 83 73.476 4.107 7.110 1.00 0.00 H new ATOM 0 HE ARG A 83 75.714 5.075 8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 83 72.314 4.300 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 83 71.950 5.119 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 83 75.280 5.983 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 83 73.613 6.062 11.359 1.00 0.00 H new ATOM 1279 N CYS A 84 71.275 -0.674 8.629 1.00 0.00 N ATOM 1280 CA CYS A 84 70.172 -0.929 9.599 1.00 0.00 C ATOM 1281 C CYS A 84 70.187 -2.395 10.041 1.00 0.00 C ATOM 1282 O CYS A 84 69.527 -2.774 10.988 1.00 0.00 O ATOM 1283 CB CYS A 84 68.889 -0.613 8.831 1.00 0.00 C ATOM 1284 SG CYS A 84 68.431 1.117 9.105 1.00 0.00 S ATOM 0 H CYS A 84 71.059 -0.901 7.658 1.00 0.00 H new ATOM 0 HA CYS A 84 70.266 -0.324 10.501 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.035 -0.797 7.767 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.084 -1.270 9.161 1.00 0.00 H new ATOM 0 HG CYS A 84 67.341 1.386 8.450 1.00 0.00 H new ATOM 1290 N MET A 85 70.936 -3.221 9.362 1.00 0.00 N ATOM 1291 CA MET A 85 70.992 -4.661 9.745 1.00 0.00 C ATOM 1292 C MET A 85 71.694 -4.820 11.096 1.00 0.00 C ATOM 1293 O MET A 85 72.902 -4.734 11.194 1.00 0.00 O ATOM 1294 CB MET A 85 71.803 -5.334 8.635 1.00 0.00 C ATOM 1295 CG MET A 85 70.861 -6.118 7.719 1.00 0.00 C ATOM 1296 SD MET A 85 71.370 -7.854 7.673 1.00 0.00 S ATOM 1297 CE MET A 85 71.338 -8.052 5.875 1.00 0.00 C ATOM 0 H MET A 85 71.511 -2.962 8.560 1.00 0.00 H new ATOM 0 HA MET A 85 70.000 -5.101 9.849 1.00 0.00 H new ATOM 0 HB2 MET A 85 72.345 -4.583 8.060 1.00 0.00 H new ATOM 0 HB3 MET A 85 72.547 -6.003 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 85 69.836 -6.038 8.080 1.00 0.00 H new ATOM 0 HG3 MET A 85 70.879 -5.696 6.714 1.00 0.00 H new ATOM 0 HE1 MET A 85 71.625 -9.071 5.616 1.00 0.00 H new ATOM 0 HE2 MET A 85 70.332 -7.853 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 85 72.037 -7.351 5.419 1.00 0.00 H new