USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 72 GLN : amide:sc= 0.617 K(o=1.3,f=-5.8!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 160:sc= 0.675 (180deg=0) USER MOD Set 2.1: A 16 HIS :FLIP no HE2:sc= -0.511 F(o=-2.2,f=-0.86) USER MOD Set 2.2: A 27 TYR OH : rot 161:sc= -0.353 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.86 F(o=-3.5!,f=-2.9) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -112:sc= -1.88! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -178:sc= -2.19! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 164:sc= -3.35! (180deg=-3.87!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.01 K(o=-3,f=-12!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.776 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 0.0974 (180deg=-0.105) USER MOD Single : A 50 ASN : amide:sc= -5.44! C(o=-5.4!,f=-18!) USER MOD Single : A 52 SER OG : rot 72:sc= 0.00317 USER MOD Single : A 53 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.6!) USER MOD Single : A 61 MET CE :methyl -170:sc= -11.5! (180deg=-12.3!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.859 F(o=-2.4!,f=-0.86) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00405 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 65.931 12.570 2.731 1.00 0.00 N ATOM 31 CA PRO A 3 66.095 11.266 2.048 1.00 0.00 C ATOM 32 C PRO A 3 65.012 11.075 0.989 1.00 0.00 C ATOM 33 O PRO A 3 65.157 10.290 0.075 1.00 0.00 O ATOM 34 CB PRO A 3 65.929 10.261 3.190 1.00 0.00 C ATOM 35 CG PRO A 3 65.668 11.035 4.497 1.00 0.00 C ATOM 36 CD PRO A 3 65.662 12.539 4.187 1.00 0.00 C ATOM 0 HA PRO A 3 67.045 11.165 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.101 9.584 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.825 9.648 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 3 64.714 10.735 4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.438 10.804 5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 3 64.705 13.000 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.427 13.072 4.752 1.00 0.00 H new ATOM 44 N GLU A 4 63.927 11.788 1.103 1.00 0.00 N ATOM 45 CA GLU A 4 62.840 11.649 0.097 1.00 0.00 C ATOM 46 C GLU A 4 63.310 12.205 -1.248 1.00 0.00 C ATOM 47 O GLU A 4 63.111 11.604 -2.286 1.00 0.00 O ATOM 48 CB GLU A 4 61.680 12.475 0.650 1.00 0.00 C ATOM 49 CG GLU A 4 60.358 11.905 0.137 1.00 0.00 C ATOM 50 CD GLU A 4 60.179 12.280 -1.336 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.961 13.080 -1.821 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.265 11.759 -1.952 1.00 0.00 O ATOM 0 H GLU A 4 63.747 12.460 1.849 1.00 0.00 H new ATOM 0 HA GLU A 4 62.550 10.611 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.696 12.460 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.783 13.516 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.348 10.821 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 4 59.528 12.295 0.726 1.00 0.00 H new ATOM 59 N VAL A 5 63.941 13.348 -1.235 1.00 0.00 N ATOM 60 CA VAL A 5 64.433 13.943 -2.508 1.00 0.00 C ATOM 61 C VAL A 5 65.400 12.982 -3.197 1.00 0.00 C ATOM 62 O VAL A 5 65.263 12.681 -4.368 1.00 0.00 O ATOM 63 CB VAL A 5 65.153 15.229 -2.096 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.021 15.721 -3.255 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.119 16.301 -1.745 1.00 0.00 C ATOM 0 H VAL A 5 64.137 13.895 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 5 63.625 14.140 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 5 65.782 15.031 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.534 16.637 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.757 14.958 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.391 15.919 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.631 17.218 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.490 16.498 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.498 15.952 -0.920 1.00 0.00 H new ATOM 75 N LEU A 6 66.372 12.486 -2.483 1.00 0.00 N ATOM 76 CA LEU A 6 67.332 11.536 -3.110 1.00 0.00 C ATOM 77 C LEU A 6 66.629 10.206 -3.373 1.00 0.00 C ATOM 78 O LEU A 6 67.028 9.433 -4.220 1.00 0.00 O ATOM 79 CB LEU A 6 68.469 11.370 -2.098 1.00 0.00 C ATOM 80 CG LEU A 6 67.949 10.718 -0.815 1.00 0.00 C ATOM 81 CD1 LEU A 6 67.776 9.213 -1.033 1.00 0.00 C ATOM 82 CD2 LEU A 6 68.962 10.951 0.308 1.00 0.00 C ATOM 0 H LEU A 6 66.542 12.696 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 6 67.713 11.895 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.262 10.758 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.905 12.342 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 6 66.987 11.156 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.406 8.753 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.063 9.042 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 6 68.736 8.771 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.599 10.490 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 6 69.919 10.508 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.090 12.022 0.466 1.00 0.00 H new ATOM 94 N ALA A 7 65.572 9.946 -2.655 1.00 0.00 N ATOM 95 CA ALA A 7 64.825 8.676 -2.861 1.00 0.00 C ATOM 96 C ALA A 7 64.266 8.641 -4.283 1.00 0.00 C ATOM 97 O ALA A 7 64.263 7.618 -4.937 1.00 0.00 O ATOM 98 CB ALA A 7 63.690 8.712 -1.836 1.00 0.00 C ATOM 0 H ALA A 7 65.193 10.560 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 7 65.451 7.793 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.091 7.806 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.109 8.773 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.061 9.583 -2.020 1.00 0.00 H new ATOM 104 N LYS A 8 63.800 9.759 -4.769 1.00 0.00 N ATOM 105 CA LYS A 8 63.247 9.800 -6.151 1.00 0.00 C ATOM 106 C LYS A 8 64.389 9.845 -7.170 1.00 0.00 C ATOM 107 O LYS A 8 64.344 9.194 -8.196 1.00 0.00 O ATOM 108 CB LYS A 8 62.425 11.089 -6.211 1.00 0.00 C ATOM 109 CG LYS A 8 60.989 10.761 -6.622 1.00 0.00 C ATOM 110 CD LYS A 8 60.248 12.056 -6.960 1.00 0.00 C ATOM 111 CE LYS A 8 59.541 11.904 -8.309 1.00 0.00 C ATOM 112 NZ LYS A 8 60.541 12.349 -9.320 1.00 0.00 N ATOM 0 H LYS A 8 63.779 10.647 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 8 62.644 8.922 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.432 11.583 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 8 62.869 11.783 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 8 60.989 10.094 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.478 10.237 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 8 59.521 12.285 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.949 12.890 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 8 59.238 10.871 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 8 58.638 12.513 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 60.129 12.274 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 60.806 13.337 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 61.387 11.747 -9.260 1.00 0.00 H new ATOM 126 N ASN A 9 65.412 10.608 -6.895 1.00 0.00 N ATOM 127 CA ASN A 9 66.555 10.695 -7.850 1.00 0.00 C ATOM 128 C ASN A 9 67.231 9.329 -7.997 1.00 0.00 C ATOM 129 O ASN A 9 67.881 9.050 -8.985 1.00 0.00 O ATOM 130 CB ASN A 9 67.527 11.700 -7.228 1.00 0.00 C ATOM 131 CG ASN A 9 66.755 12.913 -6.707 1.00 0.00 C ATOM 132 OD1 ASN A 9 65.561 13.160 -7.171 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 67.245 13.645 -5.871 1.00 0.00 N flip ATOM 0 H ASN A 9 65.506 11.174 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 9 66.230 11.002 -8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.078 11.230 -6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.262 12.016 -7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 9 68.179 13.452 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 9 66.723 14.453 -5.532 1.00 0.00 H new ATOM 140 N LYS A 10 67.087 8.477 -7.020 1.00 0.00 N ATOM 141 CA LYS A 10 67.727 7.135 -7.105 1.00 0.00 C ATOM 142 C LYS A 10 66.763 6.128 -7.740 1.00 0.00 C ATOM 143 O LYS A 10 67.155 5.052 -8.147 1.00 0.00 O ATOM 144 CB LYS A 10 68.034 6.752 -5.657 1.00 0.00 C ATOM 145 CG LYS A 10 69.118 7.680 -5.102 1.00 0.00 C ATOM 146 CD LYS A 10 70.403 7.497 -5.911 1.00 0.00 C ATOM 147 CE LYS A 10 71.615 7.817 -5.032 1.00 0.00 C ATOM 148 NZ LYS A 10 72.536 8.586 -5.916 1.00 0.00 N ATOM 0 H LYS A 10 66.555 8.652 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 10 68.625 7.142 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.131 6.827 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.367 5.715 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.787 8.717 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.301 7.456 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.469 6.474 -6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.391 8.150 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.326 8.401 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.088 6.906 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.393 8.843 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.799 8.002 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.060 9.450 -6.245 1.00 0.00 H new ATOM 162 N GLY A 11 65.507 6.470 -7.830 1.00 0.00 N ATOM 163 CA GLY A 11 64.521 5.533 -8.441 1.00 0.00 C ATOM 164 C GLY A 11 63.875 4.678 -7.351 1.00 0.00 C ATOM 165 O GLY A 11 63.199 3.708 -7.631 1.00 0.00 O ATOM 0 H GLY A 11 65.121 7.357 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.756 6.095 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 11 65.017 4.894 -9.171 1.00 0.00 H new ATOM 169 N CYS A 12 64.075 5.026 -6.109 1.00 0.00 N ATOM 170 CA CYS A 12 63.468 4.226 -5.007 1.00 0.00 C ATOM 171 C CYS A 12 61.945 4.405 -4.990 1.00 0.00 C ATOM 172 O CYS A 12 61.207 3.477 -4.733 1.00 0.00 O ATOM 173 CB CYS A 12 64.072 4.783 -3.718 1.00 0.00 C ATOM 174 SG CYS A 12 65.868 4.947 -3.888 1.00 0.00 S ATOM 0 H CYS A 12 64.631 5.827 -5.810 1.00 0.00 H new ATOM 0 HA CYS A 12 63.668 3.161 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.631 5.754 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.837 4.123 -2.883 1.00 0.00 H new ATOM 0 HG CYS A 12 66.458 4.094 -3.104 1.00 0.00 H new ATOM 179 N MET A 13 61.472 5.594 -5.246 1.00 0.00 N ATOM 180 CA MET A 13 59.999 5.833 -5.225 1.00 0.00 C ATOM 181 C MET A 13 59.346 5.344 -6.522 1.00 0.00 C ATOM 182 O MET A 13 58.172 5.559 -6.753 1.00 0.00 O ATOM 183 CB MET A 13 59.851 7.347 -5.088 1.00 0.00 C ATOM 184 CG MET A 13 59.900 7.731 -3.609 1.00 0.00 C ATOM 185 SD MET A 13 58.378 8.603 -3.162 1.00 0.00 S ATOM 186 CE MET A 13 57.437 7.157 -2.619 1.00 0.00 C ATOM 0 H MET A 13 62.041 6.411 -5.469 1.00 0.00 H new ATOM 0 HA MET A 13 59.510 5.294 -4.413 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.649 7.852 -5.633 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.909 7.673 -5.528 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.014 6.838 -2.994 1.00 0.00 H new ATOM 0 HG3 MET A 13 60.765 8.365 -3.415 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.445 7.470 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.342 6.453 -3.446 1.00 0.00 H new ATOM 0 HE3 MET A 13 57.956 6.675 -1.790 1.00 0.00 H new ATOM 196 N ALA A 14 60.090 4.691 -7.370 1.00 0.00 N ATOM 197 CA ALA A 14 59.503 4.194 -8.646 1.00 0.00 C ATOM 198 C ALA A 14 58.860 2.821 -8.436 1.00 0.00 C ATOM 199 O ALA A 14 57.752 2.569 -8.867 1.00 0.00 O ATOM 200 CB ALA A 14 60.682 4.092 -9.614 1.00 0.00 C ATOM 0 H ALA A 14 61.079 4.480 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 14 58.722 4.854 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.329 3.731 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.137 5.075 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.421 3.397 -9.215 1.00 0.00 H new ATOM 206 N CYS A 15 59.550 1.934 -7.778 1.00 0.00 N ATOM 207 CA CYS A 15 58.991 0.576 -7.535 1.00 0.00 C ATOM 208 C CYS A 15 58.403 0.481 -6.127 1.00 0.00 C ATOM 209 O CYS A 15 57.675 -0.438 -5.810 1.00 0.00 O ATOM 210 CB CYS A 15 60.187 -0.367 -7.625 1.00 0.00 C ATOM 211 SG CYS A 15 60.805 -0.461 -9.325 1.00 0.00 S ATOM 0 H CYS A 15 60.482 2.092 -7.396 1.00 0.00 H new ATOM 0 HA CYS A 15 58.201 0.339 -8.248 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.981 -0.019 -6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.899 -1.361 -7.282 1.00 0.00 H new ATOM 0 HG CYS A 15 61.823 -1.268 -9.373 1.00 0.00 H new ATOM 216 N HIS A 16 58.747 1.397 -5.266 1.00 0.00 N ATOM 217 CA HIS A 16 58.240 1.316 -3.867 1.00 0.00 C ATOM 218 C HIS A 16 57.223 2.409 -3.552 1.00 0.00 C ATOM 219 O HIS A 16 56.917 3.265 -4.358 1.00 0.00 O ATOM 220 CB HIS A 16 59.475 1.510 -2.994 1.00 0.00 C ATOM 221 CG HIS A 16 60.159 0.193 -2.782 1.00 0.00 C ATOM 222 ND1 HIS A 16 61.476 -0.183 -2.878 1.00 0.00 N flip ATOM 223 CD2 HIS A 16 59.465 -0.944 -2.407 1.00 0.00 C flip ATOM 224 CE1 HIS A 16 61.596 -1.533 -2.566 1.00 0.00 C flip ATOM 225 NE2 HIS A 16 60.357 -1.942 -2.291 1.00 0.00 N flip ATOM 0 H HIS A 16 59.353 2.193 -5.467 1.00 0.00 H new ATOM 0 HA HIS A 16 57.729 0.368 -3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.160 2.214 -3.468 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.189 1.940 -2.034 1.00 0.00 H new ATOM 0 HD1 HIS A 16 62.247 0.432 -3.138 1.00 0.00 H new ATOM 0 HD2 HIS A 16 58.401 -1.016 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 16 62.500 -2.124 -2.550 1.00 0.00 H new ATOM 233 N ALA A 17 56.720 2.376 -2.351 1.00 0.00 N ATOM 234 CA ALA A 17 55.735 3.389 -1.893 1.00 0.00 C ATOM 235 C ALA A 17 55.814 3.471 -0.369 1.00 0.00 C ATOM 236 O ALA A 17 56.715 2.924 0.232 1.00 0.00 O ATOM 237 CB ALA A 17 54.370 2.863 -2.341 1.00 0.00 C ATOM 0 H ALA A 17 56.957 1.672 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 17 55.917 4.384 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.592 3.563 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.358 2.759 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.185 1.892 -1.881 1.00 0.00 H new ATOM 243 N ILE A 18 54.898 4.135 0.270 1.00 0.00 N ATOM 244 CA ILE A 18 54.962 4.219 1.759 1.00 0.00 C ATOM 245 C ILE A 18 54.174 3.067 2.389 1.00 0.00 C ATOM 246 O ILE A 18 54.741 2.126 2.908 1.00 0.00 O ATOM 247 CB ILE A 18 54.337 5.569 2.110 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.021 6.671 1.297 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.527 5.849 3.602 1.00 0.00 C ATOM 250 CD1 ILE A 18 56.483 6.794 1.729 1.00 0.00 C ATOM 0 H ILE A 18 54.113 4.620 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 18 55.982 4.140 2.135 1.00 0.00 H new ATOM 0 HB ILE A 18 53.272 5.548 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 18 54.964 6.441 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 18 54.506 7.620 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.081 6.812 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.044 5.064 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.591 5.871 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.969 7.579 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 18 56.529 7.044 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 18 56.994 5.847 1.557 1.00 0.00 H new ATOM 262 N ASP A 19 52.873 3.130 2.348 1.00 0.00 N ATOM 263 CA ASP A 19 52.056 2.035 2.946 1.00 0.00 C ATOM 264 C ASP A 19 51.313 1.274 1.844 1.00 0.00 C ATOM 265 O ASP A 19 50.738 0.230 2.075 1.00 0.00 O ATOM 266 CB ASP A 19 51.068 2.744 3.872 1.00 0.00 C ATOM 267 CG ASP A 19 50.637 1.790 4.987 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.391 0.878 5.283 1.00 0.00 O ATOM 269 OD2 ASP A 19 49.561 1.987 5.527 1.00 0.00 O ATOM 0 H ASP A 19 52.339 3.891 1.927 1.00 0.00 H new ATOM 0 HA ASP A 19 52.663 1.305 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.529 3.635 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.197 3.076 3.306 1.00 0.00 H new ATOM 274 N THR A 20 51.329 1.791 0.645 1.00 0.00 N ATOM 275 CA THR A 20 50.632 1.098 -0.477 1.00 0.00 C ATOM 276 C THR A 20 51.475 -0.083 -0.963 1.00 0.00 C ATOM 277 O THR A 20 52.352 -0.557 -0.269 1.00 0.00 O ATOM 278 CB THR A 20 50.500 2.157 -1.576 1.00 0.00 C ATOM 279 OG1 THR A 20 51.651 2.990 -1.575 1.00 0.00 O ATOM 280 CG2 THR A 20 49.252 3.003 -1.322 1.00 0.00 C ATOM 0 H THR A 20 51.794 2.663 0.394 1.00 0.00 H new ATOM 0 HA THR A 20 49.662 0.698 -0.183 1.00 0.00 H new ATOM 0 HB THR A 20 50.412 1.666 -2.545 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.552 3.686 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.158 3.757 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.370 2.362 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.337 3.494 -0.353 1.00 0.00 H new ATOM 288 N LYS A 21 51.220 -0.561 -2.149 1.00 0.00 N ATOM 289 CA LYS A 21 52.011 -1.706 -2.675 1.00 0.00 C ATOM 290 C LYS A 21 52.197 -1.573 -4.188 1.00 0.00 C ATOM 291 O LYS A 21 51.244 -1.545 -4.940 1.00 0.00 O ATOM 292 CB LYS A 21 51.184 -2.950 -2.345 1.00 0.00 C ATOM 293 CG LYS A 21 51.951 -3.828 -1.355 1.00 0.00 C ATOM 294 CD LYS A 21 50.971 -4.743 -0.622 1.00 0.00 C ATOM 295 CE LYS A 21 51.561 -6.152 -0.533 1.00 0.00 C ATOM 296 NZ LYS A 21 50.562 -7.033 -1.201 1.00 0.00 N ATOM 0 H LYS A 21 50.498 -0.207 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 21 53.007 -1.751 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.224 -2.658 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.972 -3.511 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.697 -4.423 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.488 -3.205 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.773 -4.356 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 21 50.017 -4.769 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 21 52.529 -6.206 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 51.718 -6.449 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 50.898 -8.017 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 49.652 -6.966 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.438 -6.731 -2.189 1.00 0.00 H new ATOM 310 N MET A 22 53.419 -1.493 -4.639 1.00 0.00 N ATOM 311 CA MET A 22 53.667 -1.366 -6.104 1.00 0.00 C ATOM 312 C MET A 22 54.543 -2.532 -6.585 1.00 0.00 C ATOM 313 O MET A 22 54.129 -3.675 -6.560 1.00 0.00 O ATOM 314 CB MET A 22 54.385 -0.026 -6.266 1.00 0.00 C ATOM 315 CG MET A 22 53.384 1.115 -6.084 1.00 0.00 C ATOM 316 SD MET A 22 53.796 2.462 -7.220 1.00 0.00 S ATOM 317 CE MET A 22 55.148 3.172 -6.248 1.00 0.00 C ATOM 0 H MET A 22 54.256 -1.510 -4.057 1.00 0.00 H new ATOM 0 HA MET A 22 52.751 -1.400 -6.694 1.00 0.00 H new ATOM 0 HB2 MET A 22 55.187 0.060 -5.533 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.846 0.035 -7.252 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.372 0.759 -6.276 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.407 1.473 -5.055 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.738 3.838 -6.878 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.737 3.734 -5.410 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.784 2.371 -5.871 1.00 0.00 H new ATOM 327 N VAL A 23 55.748 -2.264 -7.018 1.00 0.00 N ATOM 328 CA VAL A 23 56.631 -3.369 -7.486 1.00 0.00 C ATOM 329 C VAL A 23 57.229 -4.100 -6.282 1.00 0.00 C ATOM 330 O VAL A 23 57.455 -5.293 -6.314 1.00 0.00 O ATOM 331 CB VAL A 23 57.721 -2.677 -8.302 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.827 -3.679 -8.633 1.00 0.00 C ATOM 333 CG2 VAL A 23 57.115 -2.141 -9.601 1.00 0.00 C ATOM 0 H VAL A 23 56.156 -1.330 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 23 56.098 -4.115 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 23 58.141 -1.853 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.604 -3.184 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.257 -4.065 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.410 -4.503 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.890 -1.646 -10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.698 -2.968 -10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.325 -1.427 -9.367 1.00 0.00 H new ATOM 343 N GLY A 24 57.474 -3.390 -5.217 1.00 0.00 N ATOM 344 CA GLY A 24 58.044 -4.034 -4.000 1.00 0.00 C ATOM 345 C GLY A 24 57.081 -3.824 -2.828 1.00 0.00 C ATOM 346 O GLY A 24 56.085 -3.141 -2.965 1.00 0.00 O ATOM 0 H GLY A 24 57.304 -2.388 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.198 -5.099 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.019 -3.605 -3.768 1.00 0.00 H new ATOM 350 N PRO A 25 57.404 -4.419 -1.706 1.00 0.00 N ATOM 351 CA PRO A 25 56.549 -4.288 -0.504 1.00 0.00 C ATOM 352 C PRO A 25 56.546 -2.839 -0.012 1.00 0.00 C ATOM 353 O PRO A 25 57.554 -2.164 -0.047 1.00 0.00 O ATOM 354 CB PRO A 25 57.243 -5.207 0.505 1.00 0.00 C ATOM 355 CG PRO A 25 58.483 -5.830 -0.166 1.00 0.00 C ATOM 356 CD PRO A 25 58.625 -5.245 -1.577 1.00 0.00 C ATOM 0 HA PRO A 25 55.505 -4.550 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.536 -4.643 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.560 -5.989 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.376 -5.620 0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.382 -6.914 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.531 -4.648 -1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.669 -6.025 -2.337 1.00 0.00 H new ATOM 364 N ALA A 26 55.424 -2.360 0.450 1.00 0.00 N ATOM 365 CA ALA A 26 55.364 -0.956 0.948 1.00 0.00 C ATOM 366 C ALA A 26 56.607 -0.646 1.787 1.00 0.00 C ATOM 367 O ALA A 26 57.249 -1.535 2.309 1.00 0.00 O ATOM 368 CB ALA A 26 54.105 -0.902 1.812 1.00 0.00 C ATOM 0 H ALA A 26 54.547 -2.879 0.504 1.00 0.00 H new ATOM 0 HA ALA A 26 55.335 -0.226 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.986 0.102 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.236 -1.152 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.194 -1.617 2.630 1.00 0.00 H new ATOM 374 N TYR A 27 56.953 0.606 1.925 1.00 0.00 N ATOM 375 CA TYR A 27 58.155 0.955 2.735 1.00 0.00 C ATOM 376 C TYR A 27 57.852 0.772 4.224 1.00 0.00 C ATOM 377 O TYR A 27 58.469 -0.031 4.900 1.00 0.00 O ATOM 378 CB TYR A 27 58.439 2.424 2.415 1.00 0.00 C ATOM 379 CG TYR A 27 59.398 2.532 1.249 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.482 1.647 1.138 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.210 3.527 0.282 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.373 1.763 0.063 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.101 3.641 -0.791 1.00 0.00 C ATOM 384 CZ TYR A 27 61.181 2.759 -0.901 1.00 0.00 C ATOM 385 OH TYR A 27 62.060 2.874 -1.959 1.00 0.00 O ATOM 0 H TYR A 27 56.458 1.398 1.514 1.00 0.00 H new ATOM 0 HA TYR A 27 59.011 0.321 2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.508 2.938 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 27 58.862 2.919 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.629 0.877 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.376 4.208 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.208 1.084 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.955 4.410 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 27 61.640 3.390 -2.678 1.00 0.00 H new ATOM 395 N LYS A 28 56.901 1.500 4.741 1.00 0.00 N ATOM 396 CA LYS A 28 56.556 1.352 6.181 1.00 0.00 C ATOM 397 C LYS A 28 56.447 -0.130 6.528 1.00 0.00 C ATOM 398 O LYS A 28 56.972 -0.591 7.521 1.00 0.00 O ATOM 399 CB LYS A 28 55.202 2.043 6.338 1.00 0.00 C ATOM 400 CG LYS A 28 55.088 2.630 7.746 1.00 0.00 C ATOM 401 CD LYS A 28 53.699 3.243 7.931 1.00 0.00 C ATOM 402 CE LYS A 28 53.486 3.594 9.405 1.00 0.00 C ATOM 403 NZ LYS A 28 53.147 5.044 9.411 1.00 0.00 N ATOM 0 H LYS A 28 56.350 2.189 4.229 1.00 0.00 H new ATOM 0 HA LYS A 28 57.307 1.786 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.096 2.832 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.396 1.330 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.256 1.852 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.856 3.389 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.600 4.137 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 28 52.934 2.541 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.683 2.999 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 28 54.383 3.396 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 52.987 5.359 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.932 5.586 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.285 5.201 8.851 1.00 0.00 H new ATOM 417 N ASP A 29 55.773 -0.882 5.702 1.00 0.00 N ATOM 418 CA ASP A 29 55.632 -2.342 5.968 1.00 0.00 C ATOM 419 C ASP A 29 57.010 -2.959 6.219 1.00 0.00 C ATOM 420 O ASP A 29 57.202 -3.722 7.145 1.00 0.00 O ATOM 421 CB ASP A 29 55.009 -2.919 4.696 1.00 0.00 C ATOM 422 CG ASP A 29 53.494 -2.711 4.729 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.073 -1.603 5.015 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.780 -3.664 4.467 1.00 0.00 O ATOM 0 H ASP A 29 55.314 -0.549 4.854 1.00 0.00 H new ATOM 0 HA ASP A 29 55.022 -2.549 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.434 -2.433 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.239 -3.981 4.615 1.00 0.00 H new ATOM 429 N VAL A 30 57.973 -2.628 5.401 1.00 0.00 N ATOM 430 CA VAL A 30 59.341 -3.189 5.596 1.00 0.00 C ATOM 431 C VAL A 30 59.828 -2.893 7.013 1.00 0.00 C ATOM 432 O VAL A 30 60.362 -3.747 7.691 1.00 0.00 O ATOM 433 CB VAL A 30 60.215 -2.467 4.571 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.668 -2.918 4.729 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.726 -2.802 3.160 1.00 0.00 C ATOM 0 H VAL A 30 57.872 -1.995 4.608 1.00 0.00 H new ATOM 0 HA VAL A 30 59.369 -4.271 5.465 1.00 0.00 H new ATOM 0 HB VAL A 30 60.151 -1.391 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.291 -2.403 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.016 -2.679 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.735 -3.994 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.348 -2.288 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.790 -3.878 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.691 -2.479 3.047 1.00 0.00 H new ATOM 445 N ALA A 31 59.642 -1.686 7.463 1.00 0.00 N ATOM 446 CA ALA A 31 60.089 -1.327 8.839 1.00 0.00 C ATOM 447 C ALA A 31 59.210 -2.026 9.878 1.00 0.00 C ATOM 448 O ALA A 31 59.591 -2.195 11.019 1.00 0.00 O ATOM 449 CB ALA A 31 59.914 0.189 8.928 1.00 0.00 C ATOM 0 H ALA A 31 59.200 -0.931 6.939 1.00 0.00 H new ATOM 0 HA ALA A 31 61.117 -1.633 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.223 0.534 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.527 0.671 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.867 0.445 8.766 1.00 0.00 H new ATOM 455 N ALA A 32 58.032 -2.429 9.491 1.00 0.00 N ATOM 456 CA ALA A 32 57.127 -3.112 10.456 1.00 0.00 C ATOM 457 C ALA A 32 57.535 -4.577 10.630 1.00 0.00 C ATOM 458 O ALA A 32 57.306 -5.177 11.661 1.00 0.00 O ATOM 459 CB ALA A 32 55.738 -3.015 9.828 1.00 0.00 C ATOM 0 H ALA A 32 57.657 -2.315 8.549 1.00 0.00 H new ATOM 0 HA ALA A 32 57.164 -2.657 11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.009 -3.497 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.470 -1.967 9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.742 -3.512 8.858 1.00 0.00 H new ATOM 465 N LYS A 33 58.137 -5.160 9.630 1.00 0.00 N ATOM 466 CA LYS A 33 58.555 -6.585 9.740 1.00 0.00 C ATOM 467 C LYS A 33 59.977 -6.674 10.300 1.00 0.00 C ATOM 468 O LYS A 33 60.306 -7.575 11.047 1.00 0.00 O ATOM 469 CB LYS A 33 58.500 -7.129 8.313 1.00 0.00 C ATOM 470 CG LYS A 33 58.405 -8.655 8.354 1.00 0.00 C ATOM 471 CD LYS A 33 56.934 -9.073 8.376 1.00 0.00 C ATOM 472 CE LYS A 33 56.604 -9.717 9.724 1.00 0.00 C ATOM 473 NZ LYS A 33 55.309 -9.107 10.133 1.00 0.00 N ATOM 0 H LYS A 33 58.357 -4.710 8.741 1.00 0.00 H new ATOM 0 HA LYS A 33 57.913 -7.154 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.640 -6.714 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.389 -6.824 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.903 -9.085 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.917 -9.038 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 33 56.296 -8.205 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.733 -9.775 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.520 -10.800 9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.384 -9.518 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.015 -9.499 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 55.422 -8.077 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.584 -9.319 9.418 1.00 0.00 H new ATOM 487 N TYR A 34 60.819 -5.739 9.952 1.00 0.00 N ATOM 488 CA TYR A 34 62.215 -5.765 10.474 1.00 0.00 C ATOM 489 C TYR A 34 62.265 -5.072 11.836 1.00 0.00 C ATOM 490 O TYR A 34 63.259 -5.116 12.531 1.00 0.00 O ATOM 491 CB TYR A 34 63.045 -4.992 9.447 1.00 0.00 C ATOM 492 CG TYR A 34 63.391 -5.902 8.294 1.00 0.00 C ATOM 493 CD1 TYR A 34 64.046 -7.115 8.534 1.00 0.00 C ATOM 494 CD2 TYR A 34 63.056 -5.533 6.986 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.368 -7.960 7.465 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.379 -6.378 5.917 1.00 0.00 C ATOM 497 CZ TYR A 34 64.034 -7.592 6.157 1.00 0.00 C ATOM 498 OH TYR A 34 64.351 -8.426 5.105 1.00 0.00 O ATOM 0 H TYR A 34 60.601 -4.960 9.330 1.00 0.00 H new ATOM 0 HA TYR A 34 62.591 -6.779 10.610 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.486 -4.128 9.088 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.955 -4.612 9.911 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.303 -7.399 9.544 1.00 0.00 H new ATOM 0 HD2 TYR A 34 62.549 -4.597 6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 34 64.874 -8.896 7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.123 -6.093 4.907 1.00 0.00 H new ATOM 0 HH TYR A 34 64.048 -8.022 4.265 1.00 0.00 H new ATOM 508 N ALA A 35 61.193 -4.432 12.222 1.00 0.00 N ATOM 509 CA ALA A 35 61.175 -3.738 13.540 1.00 0.00 C ATOM 510 C ALA A 35 61.828 -4.620 14.605 1.00 0.00 C ATOM 511 O ALA A 35 61.303 -5.650 14.980 1.00 0.00 O ATOM 512 CB ALA A 35 59.695 -3.520 13.855 1.00 0.00 C ATOM 0 H ALA A 35 60.331 -4.361 11.681 1.00 0.00 H new ATOM 0 HA ALA A 35 61.727 -2.798 13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.598 -3.012 14.814 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.243 -2.909 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.187 -4.483 13.902 1.00 0.00 H new ATOM 518 N GLY A 36 62.972 -4.227 15.090 1.00 0.00 N ATOM 519 CA GLY A 36 63.660 -5.044 16.127 1.00 0.00 C ATOM 520 C GLY A 36 64.838 -5.781 15.489 1.00 0.00 C ATOM 521 O GLY A 36 65.095 -6.931 15.783 1.00 0.00 O ATOM 0 H GLY A 36 63.460 -3.375 14.813 1.00 0.00 H new ATOM 0 HA2 GLY A 36 64.012 -4.404 16.936 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.963 -5.759 16.565 1.00 0.00 H new ATOM 525 N GLN A 37 65.555 -5.128 14.616 1.00 0.00 N ATOM 526 CA GLN A 37 66.716 -5.794 13.959 1.00 0.00 C ATOM 527 C GLN A 37 68.027 -5.316 14.585 1.00 0.00 C ATOM 528 O GLN A 37 68.122 -4.214 15.088 1.00 0.00 O ATOM 529 CB GLN A 37 66.638 -5.369 12.491 1.00 0.00 C ATOM 530 CG GLN A 37 66.241 -6.570 11.631 1.00 0.00 C ATOM 531 CD GLN A 37 67.469 -7.093 10.884 1.00 0.00 C ATOM 532 OE1 GLN A 37 68.364 -6.338 10.560 1.00 0.00 O ATOM 533 NE2 GLN A 37 67.548 -8.363 10.596 1.00 0.00 N ATOM 0 H GLN A 37 65.388 -4.164 14.329 1.00 0.00 H new ATOM 0 HA GLN A 37 66.687 -6.878 14.073 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.910 -4.567 12.372 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.601 -4.977 12.164 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.822 -7.357 12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.466 -6.282 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.796 -8.996 10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.362 -8.723 10.098 1.00 0.00 H new ATOM 542 N ALA A 38 69.043 -6.136 14.555 1.00 0.00 N ATOM 543 CA ALA A 38 70.349 -5.728 15.143 1.00 0.00 C ATOM 544 C ALA A 38 71.188 -4.997 14.091 1.00 0.00 C ATOM 545 O ALA A 38 72.378 -5.214 13.969 1.00 0.00 O ATOM 546 CB ALA A 38 71.023 -7.037 15.557 1.00 0.00 C ATOM 0 H ALA A 38 69.024 -7.071 14.148 1.00 0.00 H new ATOM 0 HA ALA A 38 70.233 -5.049 15.987 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.995 -6.821 16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.398 -7.554 16.285 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.157 -7.670 14.680 1.00 0.00 H new ATOM 552 N GLY A 39 70.572 -4.137 13.328 1.00 0.00 N ATOM 553 CA GLY A 39 71.324 -3.394 12.278 1.00 0.00 C ATOM 554 C GLY A 39 70.675 -3.652 10.918 1.00 0.00 C ATOM 555 O GLY A 39 71.341 -3.942 9.944 1.00 0.00 O ATOM 0 H GLY A 39 69.578 -3.916 13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.322 -2.327 12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.366 -3.715 12.264 1.00 0.00 H new ATOM 559 N ALA A 40 69.375 -3.556 10.847 1.00 0.00 N ATOM 560 CA ALA A 40 68.674 -3.801 9.553 1.00 0.00 C ATOM 561 C ALA A 40 69.040 -2.724 8.533 1.00 0.00 C ATOM 562 O ALA A 40 69.052 -2.967 7.344 1.00 0.00 O ATOM 563 CB ALA A 40 67.185 -3.736 9.889 1.00 0.00 C ATOM 0 H ALA A 40 68.767 -3.318 11.630 1.00 0.00 H new ATOM 0 HA ALA A 40 68.952 -4.758 9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.600 -3.907 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.945 -4.501 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.946 -2.753 10.295 1.00 0.00 H new ATOM 569 N GLU A 41 69.338 -1.539 8.985 1.00 0.00 N ATOM 570 CA GLU A 41 69.707 -0.453 8.032 1.00 0.00 C ATOM 571 C GLU A 41 71.060 -0.766 7.391 1.00 0.00 C ATOM 572 O GLU A 41 71.312 -0.428 6.251 1.00 0.00 O ATOM 573 CB GLU A 41 69.795 0.814 8.886 1.00 0.00 C ATOM 574 CG GLU A 41 68.441 1.527 8.888 1.00 0.00 C ATOM 575 CD GLU A 41 68.083 1.936 10.319 1.00 0.00 C ATOM 576 OE1 GLU A 41 67.807 1.052 11.114 1.00 0.00 O ATOM 577 OE2 GLU A 41 68.092 3.124 10.593 1.00 0.00 O ATOM 0 H GLU A 41 69.343 -1.274 9.970 1.00 0.00 H new ATOM 0 HA GLU A 41 68.985 -0.344 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 41 70.084 0.558 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.566 1.477 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 41 68.480 2.407 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 41 67.671 0.870 8.483 1.00 0.00 H new ATOM 584 N ALA A 42 71.932 -1.417 8.114 1.00 0.00 N ATOM 585 CA ALA A 42 73.265 -1.761 7.545 1.00 0.00 C ATOM 586 C ALA A 42 73.109 -2.857 6.488 1.00 0.00 C ATOM 587 O ALA A 42 73.558 -2.721 5.365 1.00 0.00 O ATOM 588 CB ALA A 42 74.083 -2.270 8.733 1.00 0.00 C ATOM 0 H ALA A 42 71.778 -1.725 9.074 1.00 0.00 H new ATOM 0 HA ALA A 42 73.745 -0.912 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.082 -2.545 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.158 -1.486 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.593 -3.142 9.165 1.00 0.00 H new ATOM 594 N TYR A 43 72.469 -3.942 6.833 1.00 0.00 N ATOM 595 CA TYR A 43 72.281 -5.037 5.840 1.00 0.00 C ATOM 596 C TYR A 43 71.289 -4.586 4.776 1.00 0.00 C ATOM 597 O TYR A 43 71.254 -5.110 3.681 1.00 0.00 O ATOM 598 CB TYR A 43 71.740 -6.213 6.654 1.00 0.00 C ATOM 599 CG TYR A 43 71.083 -7.223 5.743 1.00 0.00 C ATOM 600 CD1 TYR A 43 71.830 -7.862 4.746 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.728 -7.533 5.909 1.00 0.00 C ATOM 602 CE1 TYR A 43 71.221 -8.810 3.915 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.119 -8.480 5.077 1.00 0.00 C ATOM 604 CZ TYR A 43 69.866 -9.119 4.081 1.00 0.00 C ATOM 605 OH TYR A 43 69.265 -10.056 3.264 1.00 0.00 O ATOM 0 H TYR A 43 72.070 -4.116 7.755 1.00 0.00 H new ATOM 0 HA TYR A 43 73.198 -5.310 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.552 -6.686 7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 43 71.020 -5.854 7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 43 72.876 -7.624 4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.152 -7.041 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 43 71.797 -9.303 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 43 68.073 -8.717 5.204 1.00 0.00 H new ATOM 0 HH TYR A 43 68.322 -10.152 3.514 1.00 0.00 H new ATOM 615 N LEU A 44 70.512 -3.589 5.077 1.00 0.00 N ATOM 616 CA LEU A 44 69.558 -3.071 4.066 1.00 0.00 C ATOM 617 C LEU A 44 70.363 -2.292 3.035 1.00 0.00 C ATOM 618 O LEU A 44 70.063 -2.289 1.860 1.00 0.00 O ATOM 619 CB LEU A 44 68.611 -2.150 4.835 1.00 0.00 C ATOM 620 CG LEU A 44 67.420 -2.960 5.347 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.666 -2.151 6.403 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.481 -3.275 4.181 1.00 0.00 C ATOM 0 H LEU A 44 70.496 -3.111 5.978 1.00 0.00 H new ATOM 0 HA LEU A 44 68.996 -3.849 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.136 -1.686 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.265 -1.343 4.188 1.00 0.00 H new ATOM 0 HG LEU A 44 67.777 -3.890 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.817 -2.730 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.334 -1.925 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.308 -1.221 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.631 -3.853 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.125 -2.344 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.017 -3.853 3.428 1.00 0.00 H new ATOM 634 N ALA A 45 71.408 -1.652 3.477 1.00 0.00 N ATOM 635 CA ALA A 45 72.270 -0.887 2.542 1.00 0.00 C ATOM 636 C ALA A 45 73.053 -1.858 1.660 1.00 0.00 C ATOM 637 O ALA A 45 73.333 -1.579 0.510 1.00 0.00 O ATOM 638 CB ALA A 45 73.216 -0.089 3.439 1.00 0.00 C ATOM 0 H ALA A 45 71.702 -1.627 4.453 1.00 0.00 H new ATOM 0 HA ALA A 45 71.700 -0.236 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.889 0.505 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.636 0.572 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.799 -0.775 4.054 1.00 0.00 H new ATOM 644 N GLN A 46 73.404 -3.004 2.184 1.00 0.00 N ATOM 645 CA GLN A 46 74.160 -3.986 1.358 1.00 0.00 C ATOM 646 C GLN A 46 73.226 -4.617 0.323 1.00 0.00 C ATOM 647 O GLN A 46 73.571 -4.759 -0.834 1.00 0.00 O ATOM 648 CB GLN A 46 74.670 -5.036 2.346 1.00 0.00 C ATOM 649 CG GLN A 46 76.165 -4.823 2.585 1.00 0.00 C ATOM 650 CD GLN A 46 76.922 -6.113 2.267 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.268 -6.363 1.129 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.192 -6.949 3.230 1.00 0.00 N ATOM 0 H GLN A 46 73.201 -3.299 3.139 1.00 0.00 H new ATOM 0 HA GLN A 46 74.981 -3.526 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.125 -4.961 3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.492 -6.037 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.532 -4.010 1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.341 -4.532 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 46 76.901 -6.738 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.694 -7.814 3.029 1.00 0.00 H new ATOM 661 N ARG A 47 72.040 -4.983 0.726 1.00 0.00 N ATOM 662 CA ARG A 47 71.082 -5.587 -0.242 1.00 0.00 C ATOM 663 C ARG A 47 70.469 -4.487 -1.103 1.00 0.00 C ATOM 664 O ARG A 47 69.919 -4.744 -2.152 1.00 0.00 O ATOM 665 CB ARG A 47 70.012 -6.260 0.617 1.00 0.00 C ATOM 666 CG ARG A 47 70.663 -7.324 1.500 1.00 0.00 C ATOM 667 CD ARG A 47 71.209 -8.452 0.622 1.00 0.00 C ATOM 668 NE ARG A 47 70.345 -9.627 0.925 1.00 0.00 N ATOM 669 CZ ARG A 47 70.794 -10.841 0.742 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.002 -11.038 0.286 1.00 0.00 N ATOM 671 NH2 ARG A 47 70.031 -11.862 1.021 1.00 0.00 N ATOM 0 H ARG A 47 71.694 -4.890 1.681 1.00 0.00 H new ATOM 0 HA ARG A 47 71.559 -6.300 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.507 -5.518 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.253 -6.715 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.469 -6.882 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.935 -7.720 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 47 71.161 -8.189 -0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 47 72.254 -8.661 0.851 1.00 0.00 H new ATOM 0 HE ARG A 47 69.398 -9.484 1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.602 -10.242 0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 47 72.346 -11.988 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 47 69.088 -11.711 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 47 70.377 -12.811 0.880 1.00 0.00 H new ATOM 685 N ILE A 48 70.573 -3.259 -0.670 1.00 0.00 N ATOM 686 CA ILE A 48 70.012 -2.135 -1.469 1.00 0.00 C ATOM 687 C ILE A 48 71.019 -1.727 -2.547 1.00 0.00 C ATOM 688 O ILE A 48 70.661 -1.181 -3.571 1.00 0.00 O ATOM 689 CB ILE A 48 69.787 -1.001 -0.462 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.443 -1.207 0.244 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.771 0.349 -1.187 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.375 -0.308 1.479 1.00 0.00 C ATOM 0 H ILE A 48 71.023 -2.987 0.204 1.00 0.00 H new ATOM 0 HA ILE A 48 69.085 -2.397 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 48 70.596 -1.008 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.623 -0.973 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.328 -2.251 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.611 1.149 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.725 0.502 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.966 0.358 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.419 -0.453 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.187 -0.564 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.471 0.735 1.176 1.00 0.00 H new ATOM 704 N LYS A 49 72.280 -1.993 -2.324 1.00 0.00 N ATOM 705 CA LYS A 49 73.309 -1.626 -3.335 1.00 0.00 C ATOM 706 C LYS A 49 73.436 -2.728 -4.392 1.00 0.00 C ATOM 707 O LYS A 49 73.776 -2.472 -5.530 1.00 0.00 O ATOM 708 CB LYS A 49 74.610 -1.487 -2.545 1.00 0.00 C ATOM 709 CG LYS A 49 75.026 -0.014 -2.500 1.00 0.00 C ATOM 710 CD LYS A 49 76.315 0.130 -1.690 1.00 0.00 C ATOM 711 CE LYS A 49 77.520 -0.156 -2.588 1.00 0.00 C ATOM 712 NZ LYS A 49 77.811 1.136 -3.274 1.00 0.00 N ATOM 0 H LYS A 49 72.639 -2.448 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 49 73.054 -0.709 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.476 -1.869 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.395 -2.084 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.176 0.363 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 74.234 0.585 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.387 1.136 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.305 -0.560 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 49 78.376 -0.493 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.296 -0.943 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 78.031 0.956 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 76.981 1.759 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.625 1.595 -2.818 1.00 0.00 H new ATOM 726 N ASN A 50 73.168 -3.954 -4.026 1.00 0.00 N ATOM 727 CA ASN A 50 73.277 -5.067 -5.014 1.00 0.00 C ATOM 728 C ASN A 50 71.900 -5.684 -5.287 1.00 0.00 C ATOM 729 O ASN A 50 71.752 -6.543 -6.135 1.00 0.00 O ATOM 730 CB ASN A 50 74.202 -6.091 -4.356 1.00 0.00 C ATOM 731 CG ASN A 50 73.579 -6.572 -3.044 1.00 0.00 C ATOM 732 OD1 ASN A 50 72.374 -6.583 -2.899 1.00 0.00 O ATOM 733 ND2 ASN A 50 74.356 -6.972 -2.075 1.00 0.00 N ATOM 0 H ASN A 50 72.879 -4.232 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 50 73.661 -4.724 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.362 -6.936 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 50 75.178 -5.645 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 50 73.951 -7.294 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.369 -6.963 -2.197 1.00 0.00 H new ATOM 740 N GLY A 51 70.892 -5.252 -4.580 1.00 0.00 N ATOM 741 CA GLY A 51 69.525 -5.815 -4.802 1.00 0.00 C ATOM 742 C GLY A 51 69.550 -7.327 -4.557 1.00 0.00 C ATOM 743 O GLY A 51 70.601 -7.908 -4.375 1.00 0.00 O ATOM 0 H GLY A 51 70.953 -4.534 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.810 -5.339 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.195 -5.606 -5.820 1.00 0.00 H new ATOM 747 N SER A 52 68.411 -7.982 -4.548 1.00 0.00 N ATOM 748 CA SER A 52 68.429 -9.468 -4.307 1.00 0.00 C ATOM 749 C SER A 52 67.017 -10.053 -4.147 1.00 0.00 C ATOM 750 O SER A 52 66.059 -9.347 -3.908 1.00 0.00 O ATOM 751 CB SER A 52 69.215 -9.650 -3.006 1.00 0.00 C ATOM 752 OG SER A 52 70.265 -10.585 -3.220 1.00 0.00 O ATOM 0 H SER A 52 67.490 -7.568 -4.693 1.00 0.00 H new ATOM 0 HA SER A 52 68.875 -9.989 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.624 -8.695 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.554 -10.002 -2.214 1.00 0.00 H new ATOM 0 HG SER A 52 70.959 -10.175 -3.777 1.00 0.00 H new ATOM 758 N GLN A 53 66.895 -11.358 -4.267 1.00 0.00 N ATOM 759 CA GLN A 53 65.559 -12.019 -4.116 1.00 0.00 C ATOM 760 C GLN A 53 65.526 -12.840 -2.817 1.00 0.00 C ATOM 761 O GLN A 53 66.482 -12.870 -2.069 1.00 0.00 O ATOM 762 CB GLN A 53 65.408 -12.901 -5.380 1.00 0.00 C ATOM 763 CG GLN A 53 65.360 -14.402 -5.046 1.00 0.00 C ATOM 764 CD GLN A 53 66.676 -14.831 -4.394 1.00 0.00 C ATOM 765 OE1 GLN A 53 66.676 -15.430 -3.336 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.805 -14.547 -4.983 1.00 0.00 N ATOM 0 H GLN A 53 67.668 -11.994 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 53 64.734 -11.311 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.497 -12.620 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.241 -12.708 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.527 -14.608 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.188 -14.980 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.805 -14.044 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.688 -14.828 -4.556 1.00 0.00 H new ATOM 775 N GLY A 54 64.435 -13.501 -2.543 1.00 0.00 N ATOM 776 CA GLY A 54 64.352 -14.308 -1.292 1.00 0.00 C ATOM 777 C GLY A 54 64.185 -13.360 -0.111 1.00 0.00 C ATOM 778 O GLY A 54 64.453 -13.702 1.024 1.00 0.00 O ATOM 0 H GLY A 54 63.600 -13.518 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.511 -15.000 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.253 -14.910 -1.170 1.00 0.00 H new ATOM 782 N VAL A 55 63.745 -12.164 -0.379 1.00 0.00 N ATOM 783 CA VAL A 55 63.554 -11.169 0.707 1.00 0.00 C ATOM 784 C VAL A 55 62.064 -11.034 1.029 1.00 0.00 C ATOM 785 O VAL A 55 61.612 -11.404 2.094 1.00 0.00 O ATOM 786 CB VAL A 55 64.110 -9.870 0.122 1.00 0.00 C ATOM 787 CG1 VAL A 55 63.799 -8.702 1.054 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.626 -10.000 -0.041 1.00 0.00 C ATOM 0 H VAL A 55 63.508 -11.831 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 55 64.050 -11.445 1.638 1.00 0.00 H new ATOM 0 HB VAL A 55 63.647 -9.685 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.199 -7.781 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 55 62.719 -8.608 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.256 -8.881 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 55 66.028 -9.076 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.082 -10.188 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.850 -10.829 -0.713 1.00 0.00 H new ATOM 798 N TRP A 56 61.299 -10.512 0.113 1.00 0.00 N ATOM 799 CA TRP A 56 59.843 -10.355 0.356 1.00 0.00 C ATOM 800 C TRP A 56 59.052 -11.313 -0.543 1.00 0.00 C ATOM 801 O TRP A 56 58.076 -11.906 -0.129 1.00 0.00 O ATOM 802 CB TRP A 56 59.550 -8.907 -0.017 1.00 0.00 C ATOM 803 CG TRP A 56 60.211 -7.990 0.965 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.340 -7.286 0.724 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.811 -7.667 2.331 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.658 -6.549 1.851 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.748 -6.750 2.868 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.740 -8.074 3.150 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.626 -6.256 4.167 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.615 -7.577 4.459 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.557 -6.669 4.966 1.00 0.00 C ATOM 0 H TRP A 56 61.623 -10.186 -0.798 1.00 0.00 H new ATOM 0 HA TRP A 56 59.561 -10.582 1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.913 -8.700 -1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.474 -8.734 -0.024 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.902 -7.297 -0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.467 -5.932 1.921 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.010 -8.773 2.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.354 -5.558 4.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.789 -7.896 5.078 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.456 -6.290 5.972 1.00 0.00 H new ATOM 822 N GLY A 57 59.467 -11.468 -1.773 1.00 0.00 N ATOM 823 CA GLY A 57 58.739 -12.385 -2.699 1.00 0.00 C ATOM 824 C GLY A 57 59.652 -12.770 -3.872 1.00 0.00 C ATOM 825 O GLY A 57 60.846 -12.557 -3.818 1.00 0.00 O ATOM 0 H GLY A 57 60.278 -10.999 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.421 -13.280 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 57 57.837 -11.900 -3.072 1.00 0.00 H new ATOM 829 N PRO A 58 59.058 -13.331 -4.901 1.00 0.00 N ATOM 830 CA PRO A 58 59.823 -13.754 -6.103 1.00 0.00 C ATOM 831 C PRO A 58 60.340 -12.547 -6.898 1.00 0.00 C ATOM 832 O PRO A 58 60.892 -12.699 -7.969 1.00 0.00 O ATOM 833 CB PRO A 58 58.768 -14.505 -6.922 1.00 0.00 C ATOM 834 CG PRO A 58 57.430 -14.465 -6.162 1.00 0.00 C ATOM 835 CD PRO A 58 57.597 -13.584 -4.916 1.00 0.00 C ATOM 0 HA PRO A 58 60.705 -14.345 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 58 58.657 -14.048 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.080 -15.537 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 58 56.643 -14.067 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.128 -15.472 -5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.025 -12.659 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.263 -14.092 -4.011 1.00 0.00 H new ATOM 843 N ILE A 59 60.154 -11.351 -6.405 1.00 0.00 N ATOM 844 CA ILE A 59 60.630 -10.159 -7.161 1.00 0.00 C ATOM 845 C ILE A 59 61.850 -9.523 -6.482 1.00 0.00 C ATOM 846 O ILE A 59 61.710 -8.589 -5.718 1.00 0.00 O ATOM 847 CB ILE A 59 59.453 -9.187 -7.144 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.240 -9.846 -7.813 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.838 -7.914 -7.905 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.207 -8.776 -8.178 1.00 0.00 C ATOM 0 H ILE A 59 59.695 -11.150 -5.516 1.00 0.00 H new ATOM 0 HA ILE A 59 60.941 -10.423 -8.172 1.00 0.00 H new ATOM 0 HB ILE A 59 59.201 -8.930 -6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.553 -10.383 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 59 57.796 -10.580 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.000 -7.217 -7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.701 -7.451 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.087 -8.167 -8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.347 -9.248 -8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 59 56.884 -8.259 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.654 -8.059 -8.867 1.00 0.00 H new ATOM 862 N PRO A 60 63.015 -10.034 -6.798 1.00 0.00 N ATOM 863 CA PRO A 60 64.267 -9.489 -6.226 1.00 0.00 C ATOM 864 C PRO A 60 64.415 -8.013 -6.587 1.00 0.00 C ATOM 865 O PRO A 60 63.883 -7.550 -7.576 1.00 0.00 O ATOM 866 CB PRO A 60 65.347 -10.308 -6.934 1.00 0.00 C ATOM 867 CG PRO A 60 64.665 -11.302 -7.893 1.00 0.00 C ATOM 868 CD PRO A 60 63.144 -11.179 -7.729 1.00 0.00 C ATOM 0 HA PRO A 60 64.310 -9.552 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.018 -9.650 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 60 65.954 -10.843 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 60 64.952 -11.091 -8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.988 -12.320 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.647 -10.987 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.705 -12.088 -7.318 1.00 0.00 H new ATOM 876 N MET A 61 65.146 -7.275 -5.807 1.00 0.00 N ATOM 877 CA MET A 61 65.342 -5.840 -6.122 1.00 0.00 C ATOM 878 C MET A 61 66.542 -5.678 -7.051 1.00 0.00 C ATOM 879 O MET A 61 67.574 -6.272 -6.810 1.00 0.00 O ATOM 880 CB MET A 61 65.641 -5.192 -4.780 1.00 0.00 C ATOM 881 CG MET A 61 66.106 -3.752 -5.000 1.00 0.00 C ATOM 882 SD MET A 61 66.239 -2.913 -3.404 1.00 0.00 S ATOM 883 CE MET A 61 67.534 -3.957 -2.703 1.00 0.00 C ATOM 0 H MET A 61 65.617 -7.604 -4.964 1.00 0.00 H new ATOM 0 HA MET A 61 64.477 -5.397 -6.617 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.751 -5.206 -4.151 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.411 -5.758 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.070 -3.743 -5.509 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.401 -3.225 -5.643 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.653 -3.728 -1.644 1.00 0.00 H new ATOM 0 HE2 MET A 61 67.259 -5.005 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 61 68.474 -3.769 -3.222 1.00 0.00 H new ATOM 893 N PRO A 62 66.386 -4.872 -8.076 1.00 0.00 N ATOM 894 CA PRO A 62 67.496 -4.630 -9.024 1.00 0.00 C ATOM 895 C PRO A 62 68.615 -3.863 -8.305 1.00 0.00 C ATOM 896 O PRO A 62 68.346 -2.898 -7.618 1.00 0.00 O ATOM 897 CB PRO A 62 66.838 -3.756 -10.098 1.00 0.00 C ATOM 898 CG PRO A 62 65.364 -3.525 -9.710 1.00 0.00 C ATOM 899 CD PRO A 62 65.107 -4.175 -8.346 1.00 0.00 C ATOM 0 HA PRO A 62 67.946 -5.535 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.361 -2.803 -10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.901 -4.242 -11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.148 -2.458 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.703 -3.954 -10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.879 -3.434 -7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.266 -4.868 -8.379 1.00 0.00 H new ATOM 907 N PRO A 63 69.834 -4.311 -8.468 1.00 0.00 N ATOM 908 CA PRO A 63 70.975 -3.642 -7.804 1.00 0.00 C ATOM 909 C PRO A 63 71.064 -2.177 -8.240 1.00 0.00 C ATOM 910 O PRO A 63 70.923 -1.855 -9.403 1.00 0.00 O ATOM 911 CB PRO A 63 72.176 -4.451 -8.300 1.00 0.00 C ATOM 912 CG PRO A 63 71.671 -5.562 -9.242 1.00 0.00 C ATOM 913 CD PRO A 63 70.139 -5.486 -9.315 1.00 0.00 C ATOM 0 HA PRO A 63 70.901 -3.618 -6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.878 -3.802 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.712 -4.886 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.103 -5.441 -10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.984 -6.540 -8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.788 -5.350 -10.338 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.669 -6.393 -8.934 1.00 0.00 H new ATOM 921 N ASN A 64 71.289 -1.285 -7.314 1.00 0.00 N ATOM 922 CA ASN A 64 71.377 0.159 -7.674 1.00 0.00 C ATOM 923 C ASN A 64 72.807 0.671 -7.481 1.00 0.00 C ATOM 924 O ASN A 64 73.613 0.054 -6.813 1.00 0.00 O ATOM 925 CB ASN A 64 70.420 0.866 -6.712 1.00 0.00 C ATOM 926 CG ASN A 64 69.054 0.178 -6.750 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.876 -0.934 -6.092 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.137 0.660 -7.385 1.00 0.00 N flip ATOM 0 H ASN A 64 71.416 -1.494 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 64 71.116 0.339 -8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.823 0.842 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.318 1.915 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.275 1.530 -7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.229 0.195 -7.403 1.00 0.00 H new ATOM 935 N ALA A 65 73.126 1.799 -8.059 1.00 0.00 N ATOM 936 CA ALA A 65 74.501 2.355 -7.908 1.00 0.00 C ATOM 937 C ALA A 65 74.523 3.399 -6.786 1.00 0.00 C ATOM 938 O ALA A 65 75.203 4.402 -6.869 1.00 0.00 O ATOM 939 CB ALA A 65 74.815 3.007 -9.257 1.00 0.00 C ATOM 0 H ALA A 65 72.493 2.359 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 65 75.233 1.591 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.814 3.441 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.770 2.254 -10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 65 74.085 3.790 -9.461 1.00 0.00 H new ATOM 945 N VAL A 66 73.778 3.168 -5.740 1.00 0.00 N ATOM 946 CA VAL A 66 73.749 4.144 -4.609 1.00 0.00 C ATOM 947 C VAL A 66 75.002 3.996 -3.744 1.00 0.00 C ATOM 948 O VAL A 66 75.156 3.030 -3.025 1.00 0.00 O ATOM 949 CB VAL A 66 72.499 3.783 -3.800 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.249 4.143 -4.605 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.497 2.282 -3.501 1.00 0.00 C ATOM 0 H VAL A 66 73.187 2.346 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 66 73.725 5.175 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 66 72.502 4.339 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.359 3.886 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.248 5.212 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.248 3.587 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.607 2.027 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.496 1.724 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.387 2.024 -2.927 1.00 0.00 H new ATOM 961 N SER A 67 75.896 4.948 -3.799 1.00 0.00 N ATOM 962 CA SER A 67 77.129 4.854 -2.966 1.00 0.00 C ATOM 963 C SER A 67 76.754 4.388 -1.557 1.00 0.00 C ATOM 964 O SER A 67 75.695 4.700 -1.058 1.00 0.00 O ATOM 965 CB SER A 67 77.700 6.272 -2.931 1.00 0.00 C ATOM 966 OG SER A 67 78.768 6.371 -3.863 1.00 0.00 O ATOM 0 H SER A 67 75.826 5.782 -4.382 1.00 0.00 H new ATOM 0 HA SER A 67 77.853 4.143 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.922 6.996 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.054 6.509 -1.928 1.00 0.00 H new ATOM 0 HG SER A 67 79.135 7.279 -3.844 1.00 0.00 H new ATOM 972 N ASP A 68 77.602 3.631 -0.919 1.00 0.00 N ATOM 973 CA ASP A 68 77.277 3.138 0.452 1.00 0.00 C ATOM 974 C ASP A 68 76.618 4.240 1.286 1.00 0.00 C ATOM 975 O ASP A 68 75.680 3.996 2.019 1.00 0.00 O ATOM 976 CB ASP A 68 78.624 2.738 1.056 1.00 0.00 C ATOM 977 CG ASP A 68 79.522 3.972 1.152 1.00 0.00 C ATOM 978 OD1 ASP A 68 80.064 4.366 0.134 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.651 4.503 2.244 1.00 0.00 O ATOM 0 H ASP A 68 78.506 3.332 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 68 76.573 2.307 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.477 2.303 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.100 1.975 0.440 1.00 0.00 H new ATOM 984 N ASP A 69 77.096 5.448 1.183 1.00 0.00 N ATOM 985 CA ASP A 69 76.488 6.558 1.975 1.00 0.00 C ATOM 986 C ASP A 69 75.027 6.759 1.563 1.00 0.00 C ATOM 987 O ASP A 69 74.150 6.907 2.393 1.00 0.00 O ATOM 988 CB ASP A 69 77.320 7.792 1.629 1.00 0.00 C ATOM 989 CG ASP A 69 78.710 7.663 2.254 1.00 0.00 C ATOM 990 OD1 ASP A 69 78.897 6.760 3.052 1.00 0.00 O ATOM 991 OD2 ASP A 69 79.564 8.469 1.922 1.00 0.00 O ATOM 0 H ASP A 69 77.879 5.717 0.587 1.00 0.00 H new ATOM 0 HA ASP A 69 76.490 6.354 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.404 7.895 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.826 8.691 1.997 1.00 0.00 H new ATOM 996 N GLU A 70 74.760 6.770 0.288 1.00 0.00 N ATOM 997 CA GLU A 70 73.359 6.965 -0.179 1.00 0.00 C ATOM 998 C GLU A 70 72.476 5.801 0.276 1.00 0.00 C ATOM 999 O GLU A 70 71.362 5.996 0.715 1.00 0.00 O ATOM 1000 CB GLU A 70 73.453 7.009 -1.704 1.00 0.00 C ATOM 1001 CG GLU A 70 74.325 8.193 -2.126 1.00 0.00 C ATOM 1002 CD GLU A 70 73.706 9.496 -1.619 1.00 0.00 C ATOM 1003 OE1 GLU A 70 72.550 9.467 -1.233 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.399 10.500 -1.624 1.00 0.00 O ATOM 0 H GLU A 70 75.452 6.652 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 70 72.912 7.872 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 70 73.878 6.078 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.458 7.103 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 75.332 8.077 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.416 8.221 -3.212 1.00 0.00 H new ATOM 1011 N ALA A 71 72.961 4.593 0.181 1.00 0.00 N ATOM 1012 CA ALA A 71 72.139 3.428 0.614 1.00 0.00 C ATOM 1013 C ALA A 71 71.933 3.477 2.127 1.00 0.00 C ATOM 1014 O ALA A 71 70.994 2.913 2.654 1.00 0.00 O ATOM 1015 CB ALA A 71 72.949 2.192 0.220 1.00 0.00 C ATOM 0 H ALA A 71 73.888 4.363 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 71 71.151 3.422 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.404 1.293 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.108 2.190 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.913 2.211 0.729 1.00 0.00 H new ATOM 1021 N GLN A 72 72.792 4.164 2.831 1.00 0.00 N ATOM 1022 CA GLN A 72 72.623 4.264 4.305 1.00 0.00 C ATOM 1023 C GLN A 72 71.437 5.174 4.585 1.00 0.00 C ATOM 1024 O GLN A 72 70.611 4.905 5.434 1.00 0.00 O ATOM 1025 CB GLN A 72 73.920 4.879 4.832 1.00 0.00 C ATOM 1026 CG GLN A 72 74.478 3.999 5.952 1.00 0.00 C ATOM 1027 CD GLN A 72 74.221 4.669 7.303 1.00 0.00 C ATOM 1028 OE1 GLN A 72 73.436 4.185 8.095 1.00 0.00 O ATOM 1029 NE2 GLN A 72 74.852 5.771 7.602 1.00 0.00 N ATOM 0 H GLN A 72 73.599 4.657 2.449 1.00 0.00 H new ATOM 0 HA GLN A 72 72.435 3.302 4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.648 4.967 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.733 5.886 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.007 3.016 5.926 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.547 3.844 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 72 75.511 6.178 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 72 74.687 6.226 8.500 1.00 0.00 H new ATOM 1038 N THR A 73 71.335 6.239 3.842 1.00 0.00 N ATOM 1039 CA THR A 73 70.187 7.163 4.020 1.00 0.00 C ATOM 1040 C THR A 73 68.941 6.506 3.431 1.00 0.00 C ATOM 1041 O THR A 73 67.826 6.797 3.819 1.00 0.00 O ATOM 1042 CB THR A 73 70.562 8.419 3.233 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.967 8.617 3.303 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.842 9.631 3.826 1.00 0.00 C ATOM 0 H THR A 73 72.000 6.509 3.117 1.00 0.00 H new ATOM 0 HA THR A 73 69.980 7.400 5.064 1.00 0.00 H new ATOM 0 HB THR A 73 70.263 8.298 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.210 9.421 2.798 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.111 10.525 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.764 9.477 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.137 9.756 4.868 1.00 0.00 H new ATOM 1052 N LEU A 74 69.129 5.604 2.503 1.00 0.00 N ATOM 1053 CA LEU A 74 67.961 4.907 1.895 1.00 0.00 C ATOM 1054 C LEU A 74 67.379 3.926 2.909 1.00 0.00 C ATOM 1055 O LEU A 74 66.181 3.765 3.014 1.00 0.00 O ATOM 1056 CB LEU A 74 68.514 4.164 0.677 1.00 0.00 C ATOM 1057 CG LEU A 74 68.764 5.163 -0.452 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.358 4.436 -1.659 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.441 5.815 -0.853 1.00 0.00 C ATOM 0 H LEU A 74 70.040 5.321 2.142 1.00 0.00 H new ATOM 0 HA LEU A 74 67.166 5.595 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.441 3.653 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.809 3.399 0.352 1.00 0.00 H new ATOM 0 HG LEU A 74 69.462 5.928 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.535 5.150 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.301 3.968 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.662 3.670 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.616 6.528 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.745 5.048 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.016 6.335 0.006 1.00 0.00 H new ATOM 1071 N ALA A 75 68.221 3.278 3.671 1.00 0.00 N ATOM 1072 CA ALA A 75 67.713 2.321 4.692 1.00 0.00 C ATOM 1073 C ALA A 75 67.065 3.103 5.832 1.00 0.00 C ATOM 1074 O ALA A 75 65.949 2.833 6.230 1.00 0.00 O ATOM 1075 CB ALA A 75 68.949 1.567 5.184 1.00 0.00 C ATOM 0 H ALA A 75 69.236 3.371 3.629 1.00 0.00 H new ATOM 0 HA ALA A 75 66.963 1.636 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.655 0.841 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.416 1.049 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.658 2.273 5.615 1.00 0.00 H new ATOM 1081 N LYS A 76 67.749 4.090 6.345 1.00 0.00 N ATOM 1082 CA LYS A 76 67.161 4.906 7.440 1.00 0.00 C ATOM 1083 C LYS A 76 65.927 5.629 6.907 1.00 0.00 C ATOM 1084 O LYS A 76 65.021 5.969 7.643 1.00 0.00 O ATOM 1085 CB LYS A 76 68.252 5.906 7.821 1.00 0.00 C ATOM 1086 CG LYS A 76 69.490 5.147 8.304 1.00 0.00 C ATOM 1087 CD LYS A 76 70.134 5.909 9.464 1.00 0.00 C ATOM 1088 CE LYS A 76 70.835 4.921 10.399 1.00 0.00 C ATOM 1089 NZ LYS A 76 72.236 5.416 10.500 1.00 0.00 N ATOM 0 H LYS A 76 68.687 4.364 6.053 1.00 0.00 H new ATOM 0 HA LYS A 76 66.852 4.311 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.505 6.529 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.892 6.573 8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.212 4.143 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 76 70.203 5.036 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 76 70.851 6.635 9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.375 6.468 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.354 4.894 11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.802 3.908 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.682 5.023 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 72.771 5.117 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 72.234 6.454 10.558 1.00 0.00 H new ATOM 1103 N TRP A 77 65.881 5.852 5.620 1.00 0.00 N ATOM 1104 CA TRP A 77 64.703 6.537 5.025 1.00 0.00 C ATOM 1105 C TRP A 77 63.493 5.606 5.072 1.00 0.00 C ATOM 1106 O TRP A 77 62.442 5.970 5.555 1.00 0.00 O ATOM 1107 CB TRP A 77 65.095 6.839 3.582 1.00 0.00 C ATOM 1108 CG TRP A 77 63.897 7.327 2.836 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.109 8.361 3.211 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.337 6.817 1.597 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.100 8.516 2.275 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.198 7.584 1.262 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.705 5.768 0.745 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.454 7.323 0.112 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.959 5.498 -0.415 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.834 6.274 -0.729 1.00 0.00 C ATOM 0 H TRP A 77 66.610 5.588 4.957 1.00 0.00 H new ATOM 0 HA TRP A 77 64.435 7.447 5.562 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.884 7.591 3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.494 5.943 3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.245 8.966 4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.374 9.231 2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.568 5.163 0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.591 7.927 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 63.253 4.689 -1.067 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.262 6.061 -1.620 1.00 0.00 H new ATOM 1127 N ILE A 78 63.637 4.402 4.581 1.00 0.00 N ATOM 1128 CA ILE A 78 62.493 3.445 4.606 1.00 0.00 C ATOM 1129 C ILE A 78 61.969 3.301 6.037 1.00 0.00 C ATOM 1130 O ILE A 78 60.787 3.408 6.292 1.00 0.00 O ATOM 1131 CB ILE A 78 63.073 2.115 4.113 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.426 2.217 2.624 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.041 1.004 4.314 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.838 1.672 2.400 1.00 0.00 C ATOM 0 H ILE A 78 64.496 4.042 4.165 1.00 0.00 H new ATOM 0 HA ILE A 78 61.660 3.778 3.987 1.00 0.00 H new ATOM 0 HB ILE A 78 63.975 1.887 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.708 1.653 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.368 3.255 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.453 0.057 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.795 0.923 5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.139 1.239 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.092 1.743 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.550 2.255 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.879 0.629 2.714 1.00 0.00 H new ATOM 1146 N LEU A 79 62.843 3.063 6.976 1.00 0.00 N ATOM 1147 CA LEU A 79 62.394 2.920 8.390 1.00 0.00 C ATOM 1148 C LEU A 79 61.961 4.282 8.938 1.00 0.00 C ATOM 1149 O LEU A 79 61.273 4.373 9.935 1.00 0.00 O ATOM 1150 CB LEU A 79 63.617 2.396 9.145 1.00 0.00 C ATOM 1151 CG LEU A 79 63.564 0.869 9.204 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.924 0.298 8.801 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.226 0.424 10.628 1.00 0.00 C ATOM 0 H LEU A 79 63.847 2.962 6.826 1.00 0.00 H new ATOM 0 HA LEU A 79 61.541 2.249 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.531 2.720 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.640 2.809 10.153 1.00 0.00 H new ATOM 0 HG LEU A 79 62.798 0.505 8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.888 -0.791 8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.165 0.615 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.689 0.662 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.188 -0.665 10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 79 63.991 0.787 11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.257 0.832 10.916 1.00 0.00 H new ATOM 1165 N SER A 80 62.356 5.342 8.288 1.00 0.00 N ATOM 1166 CA SER A 80 61.966 6.699 8.763 1.00 0.00 C ATOM 1167 C SER A 80 60.687 7.151 8.053 1.00 0.00 C ATOM 1168 O SER A 80 60.096 8.157 8.395 1.00 0.00 O ATOM 1169 CB SER A 80 63.139 7.604 8.388 1.00 0.00 C ATOM 1170 OG SER A 80 62.738 8.963 8.495 1.00 0.00 O ATOM 0 H SER A 80 62.933 5.327 7.447 1.00 0.00 H new ATOM 0 HA SER A 80 61.764 6.724 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.987 7.410 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.468 7.389 7.371 1.00 0.00 H new ATOM 0 HG SER A 80 63.489 9.545 8.256 1.00 0.00 H new