USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 615 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 40 MET CE :methyl -114:sc= -5.16 (180deg=-11.2!) USER MOD Set 1.2: A 47 THR OG1 : rot -170:sc= -0.841 USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -1.44! F(o=-5.6,f=-4.5!) USER MOD Set 2.2: A 24 GLN :FLIP amide:sc= -3.08! C(o=-5.7!,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -3.86! X(o=-3.9!,f=-3.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -38:sc= 0.584 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 149:sc= -0.818 (180deg=-2.73!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 75:sc= 0.938 USER MOD Single : A 34 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.2!) USER MOD Single : A 39 ASN : amide:sc= -2.05 K(o=-2,f=-12!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 160:sc= -0.0797 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -127:sc= 1.25 USER MOD Single : A 59 MET CE :methyl -171:sc= -1.8 (180deg=-1.95) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc=-0.00345 X(o=-0.0034,f=-0.24) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.562 -7.372 -14.578 1.00 0.00 N ATOM 2 CA GLY A 1 -15.604 -6.309 -15.568 1.00 0.00 C ATOM 3 C GLY A 1 -14.192 -5.874 -15.966 1.00 0.00 C ATOM 4 O GLY A 1 -13.692 -6.265 -17.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.532 -7.649 -14.325 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.059 -8.193 -14.971 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.065 -7.036 -13.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.145 -6.650 -16.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.152 -5.456 -15.168 1.00 0.00 H new ATOM 8 N SER A 2 -13.589 -5.071 -15.101 1.00 0.00 N ATOM 9 CA SER A 2 -12.244 -4.579 -15.349 1.00 0.00 C ATOM 10 C SER A 2 -11.246 -5.308 -14.447 1.00 0.00 C ATOM 11 O SER A 2 -11.562 -5.638 -13.305 1.00 0.00 O ATOM 12 CB SER A 2 -12.160 -3.069 -15.122 1.00 0.00 C ATOM 13 OG SER A 2 -10.824 -2.586 -15.233 1.00 0.00 O ATOM 0 H SER A 2 -14.007 -4.749 -14.228 1.00 0.00 H new ATOM 0 HA SER A 2 -11.994 -4.777 -16.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.792 -2.558 -15.848 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.551 -2.829 -14.134 1.00 0.00 H new ATOM 0 HG SER A 2 -10.813 -1.618 -15.083 1.00 0.00 H new ATOM 19 N SER A 3 -10.061 -5.537 -14.994 1.00 0.00 N ATOM 20 CA SER A 3 -9.015 -6.221 -14.254 1.00 0.00 C ATOM 21 C SER A 3 -7.981 -5.209 -13.755 1.00 0.00 C ATOM 22 O SER A 3 -7.556 -4.330 -14.503 1.00 0.00 O ATOM 23 CB SER A 3 -8.339 -7.289 -15.115 1.00 0.00 C ATOM 24 OG SER A 3 -9.282 -8.197 -15.677 1.00 0.00 O ATOM 0 H SER A 3 -9.802 -5.261 -15.941 1.00 0.00 H new ATOM 0 HA SER A 3 -9.471 -6.719 -13.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.778 -6.807 -15.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.620 -7.841 -14.510 1.00 0.00 H new ATOM 0 HG SER A 3 -8.811 -8.862 -16.221 1.00 0.00 H new ATOM 30 N GLY A 4 -7.607 -5.367 -12.493 1.00 0.00 N ATOM 31 CA GLY A 4 -6.631 -4.478 -11.886 1.00 0.00 C ATOM 32 C GLY A 4 -7.292 -3.562 -10.854 1.00 0.00 C ATOM 33 O GLY A 4 -7.457 -2.367 -11.096 1.00 0.00 O ATOM 0 H GLY A 4 -7.962 -6.097 -11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.847 -5.065 -11.407 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.152 -3.876 -12.658 1.00 0.00 H new ATOM 37 N SER A 5 -7.651 -4.156 -9.726 1.00 0.00 N ATOM 38 CA SER A 5 -8.290 -3.408 -8.656 1.00 0.00 C ATOM 39 C SER A 5 -7.233 -2.680 -7.823 1.00 0.00 C ATOM 40 O SER A 5 -7.207 -1.451 -7.783 1.00 0.00 O ATOM 41 CB SER A 5 -9.128 -4.327 -7.766 1.00 0.00 C ATOM 42 OG SER A 5 -10.034 -3.595 -6.946 1.00 0.00 O ATOM 0 H SER A 5 -7.512 -5.147 -9.529 1.00 0.00 H new ATOM 0 HA SER A 5 -8.959 -2.673 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.687 -5.025 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.467 -4.922 -7.135 1.00 0.00 H new ATOM 0 HG SER A 5 -10.552 -4.218 -6.394 1.00 0.00 H new ATOM 48 N SER A 6 -6.387 -3.470 -7.178 1.00 0.00 N ATOM 49 CA SER A 6 -5.331 -2.917 -6.348 1.00 0.00 C ATOM 50 C SER A 6 -4.145 -2.500 -7.219 1.00 0.00 C ATOM 51 O SER A 6 -3.825 -3.170 -8.200 1.00 0.00 O ATOM 52 CB SER A 6 -4.882 -3.922 -5.285 1.00 0.00 C ATOM 53 OG SER A 6 -4.201 -5.035 -5.857 1.00 0.00 O ATOM 0 H SER A 6 -6.412 -4.489 -7.214 1.00 0.00 H new ATOM 0 HA SER A 6 -5.724 -2.039 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.227 -3.425 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.751 -4.275 -4.730 1.00 0.00 H new ATOM 0 HG SER A 6 -3.929 -5.653 -5.146 1.00 0.00 H new ATOM 59 N GLY A 7 -3.525 -1.395 -6.830 1.00 0.00 N ATOM 60 CA GLY A 7 -2.381 -0.881 -7.563 1.00 0.00 C ATOM 61 C GLY A 7 -1.219 -0.570 -6.618 1.00 0.00 C ATOM 62 O GLY A 7 -0.850 0.590 -6.444 1.00 0.00 O ATOM 0 H GLY A 7 -3.794 -0.842 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.064 -1.611 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.666 0.022 -8.103 1.00 0.00 H new ATOM 66 N LEU A 8 -0.674 -1.627 -6.033 1.00 0.00 N ATOM 67 CA LEU A 8 0.438 -1.481 -5.110 1.00 0.00 C ATOM 68 C LEU A 8 1.604 -2.352 -5.582 1.00 0.00 C ATOM 69 O LEU A 8 2.726 -1.868 -5.728 1.00 0.00 O ATOM 70 CB LEU A 8 -0.011 -1.777 -3.678 1.00 0.00 C ATOM 71 CG LEU A 8 -0.561 -0.588 -2.888 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.900 -0.121 -3.462 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.661 -0.919 -1.397 1.00 0.00 C ATOM 0 H LEU A 8 -0.982 -2.588 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 8 0.793 -0.450 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.777 -2.551 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.836 -2.191 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 8 0.139 0.241 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.269 0.725 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.765 0.182 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.621 -0.937 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.055 -0.057 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.328 -1.770 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.328 -1.166 -1.012 1.00 0.00 H new ATOM 85 N ASP A 9 1.299 -3.622 -5.806 1.00 0.00 N ATOM 86 CA ASP A 9 2.308 -4.565 -6.258 1.00 0.00 C ATOM 87 C ASP A 9 3.194 -3.892 -7.308 1.00 0.00 C ATOM 88 O ASP A 9 4.387 -4.181 -7.396 1.00 0.00 O ATOM 89 CB ASP A 9 1.663 -5.795 -6.900 1.00 0.00 C ATOM 90 CG ASP A 9 0.568 -5.491 -7.924 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.422 -4.843 -7.520 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.745 -5.912 -9.087 1.00 0.00 O ATOM 0 H ASP A 9 0.368 -4.020 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 9 2.893 -4.875 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.442 -6.382 -7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.240 -6.418 -6.112 1.00 0.00 H new ATOM 97 N HIS A 10 2.577 -3.009 -8.079 1.00 0.00 N ATOM 98 CA HIS A 10 3.295 -2.294 -9.120 1.00 0.00 C ATOM 99 C HIS A 10 4.060 -1.121 -8.503 1.00 0.00 C ATOM 100 O HIS A 10 5.233 -0.910 -8.810 1.00 0.00 O ATOM 101 CB HIS A 10 2.343 -1.859 -10.236 1.00 0.00 C ATOM 102 CG HIS A 10 1.674 -0.527 -9.989 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.638 -0.365 -9.086 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.906 0.701 -10.534 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.269 0.908 -9.097 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.056 1.567 -9.995 1.00 0.00 N ATOM 0 H HIS A 10 1.588 -2.772 -8.004 1.00 0.00 H new ATOM 0 HA HIS A 10 4.026 -2.957 -9.583 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.898 -1.807 -11.173 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.575 -2.622 -10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.654 0.930 -11.278 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.517 1.346 -8.500 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.001 2.561 -10.216 1.00 0.00 H new ATOM 114 N ILE A 11 3.365 -0.389 -7.645 1.00 0.00 N ATOM 115 CA ILE A 11 3.965 0.757 -6.982 1.00 0.00 C ATOM 116 C ILE A 11 5.382 0.396 -6.532 1.00 0.00 C ATOM 117 O ILE A 11 5.665 -0.761 -6.228 1.00 0.00 O ATOM 118 CB ILE A 11 3.066 1.249 -5.846 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.817 1.941 -6.396 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.842 2.149 -4.883 1.00 0.00 C ATOM 121 CD1 ILE A 11 0.989 2.558 -5.267 1.00 0.00 C ATOM 0 H ILE A 11 2.393 -0.567 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 11 4.053 1.595 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 11 2.730 0.382 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.109 2.717 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.210 1.221 -6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.180 2.485 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.674 1.591 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.227 3.014 -5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.107 3.043 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.678 1.776 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.591 3.295 -4.735 1.00 0.00 H new ATOM 133 N THR A 12 6.235 1.410 -6.504 1.00 0.00 N ATOM 134 CA THR A 12 7.616 1.214 -6.097 1.00 0.00 C ATOM 135 C THR A 12 7.885 1.922 -4.767 1.00 0.00 C ATOM 136 O THR A 12 7.380 3.018 -4.530 1.00 0.00 O ATOM 137 CB THR A 12 8.518 1.696 -7.235 1.00 0.00 C ATOM 138 OG1 THR A 12 7.802 1.348 -8.416 1.00 0.00 O ATOM 139 CG2 THR A 12 9.816 0.892 -7.334 1.00 0.00 C ATOM 0 H THR A 12 5.996 2.369 -6.756 1.00 0.00 H new ATOM 0 HA THR A 12 7.830 0.160 -5.918 1.00 0.00 H new ATOM 0 HB THR A 12 8.755 2.750 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.315 1.626 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.419 1.275 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.373 0.985 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.581 -0.157 -7.513 1.00 0.00 H new ATOM 147 N VAL A 13 8.680 1.266 -3.934 1.00 0.00 N ATOM 148 CA VAL A 13 9.022 1.818 -2.635 1.00 0.00 C ATOM 149 C VAL A 13 10.518 2.138 -2.599 1.00 0.00 C ATOM 150 O VAL A 13 11.339 1.332 -3.032 1.00 0.00 O ATOM 151 CB VAL A 13 8.590 0.856 -1.527 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.908 1.431 -0.145 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.105 0.511 -1.648 1.00 0.00 C ATOM 0 H VAL A 13 9.097 0.357 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 13 8.486 2.751 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 13 9.159 -0.066 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.590 0.727 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.981 1.602 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.379 2.375 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.824 -0.174 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.512 1.422 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.919 0.039 -2.613 1.00 0.00 H new ATOM 163 N VAL A 14 10.826 3.318 -2.079 1.00 0.00 N ATOM 164 CA VAL A 14 12.208 3.754 -1.982 1.00 0.00 C ATOM 165 C VAL A 14 12.826 3.194 -0.699 1.00 0.00 C ATOM 166 O VAL A 14 12.378 3.515 0.401 1.00 0.00 O ATOM 167 CB VAL A 14 12.282 5.280 -2.064 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.633 5.792 -1.562 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.007 5.766 -3.489 1.00 0.00 C ATOM 0 H VAL A 14 10.142 3.985 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 14 12.790 3.368 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 14 11.507 5.688 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.659 6.879 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.773 5.491 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.432 5.371 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.066 6.854 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.748 5.343 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.011 5.447 -3.796 1.00 0.00 H new ATOM 179 N THR A 15 13.845 2.368 -0.883 1.00 0.00 N ATOM 180 CA THR A 15 14.528 1.760 0.247 1.00 0.00 C ATOM 181 C THR A 15 15.929 2.355 0.405 1.00 0.00 C ATOM 182 O THR A 15 16.441 2.999 -0.510 1.00 0.00 O ATOM 183 CB THR A 15 14.532 0.245 0.037 1.00 0.00 C ATOM 184 OG1 THR A 15 15.551 0.031 -0.936 1.00 0.00 O ATOM 185 CG2 THR A 15 13.256 -0.256 -0.643 1.00 0.00 C ATOM 0 H THR A 15 14.214 2.105 -1.797 1.00 0.00 H new ATOM 0 HA THR A 15 14.011 1.972 1.183 1.00 0.00 H new ATOM 0 HB THR A 15 14.650 -0.254 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.529 0.754 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.311 -1.337 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.393 -0.005 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.154 0.217 -1.620 1.00 0.00 H new ATOM 193 N ALA A 16 16.510 2.118 1.572 1.00 0.00 N ATOM 194 CA ALA A 16 17.841 2.623 1.862 1.00 0.00 C ATOM 195 C ALA A 16 18.877 1.757 1.142 1.00 0.00 C ATOM 196 O ALA A 16 19.635 1.029 1.781 1.00 0.00 O ATOM 197 CB ALA A 16 18.057 2.653 3.376 1.00 0.00 C ATOM 0 H ALA A 16 16.083 1.583 2.328 1.00 0.00 H new ATOM 0 HA ALA A 16 17.953 3.644 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.056 3.032 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.314 3.304 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.956 1.645 3.778 1.00 0.00 H new ATOM 203 N ASP A 17 18.877 1.865 -0.179 1.00 0.00 N ATOM 204 CA ASP A 17 19.808 1.101 -0.992 1.00 0.00 C ATOM 205 C ASP A 17 19.413 1.227 -2.465 1.00 0.00 C ATOM 206 O ASP A 17 20.274 1.230 -3.344 1.00 0.00 O ATOM 207 CB ASP A 17 19.776 -0.382 -0.620 1.00 0.00 C ATOM 208 CG ASP A 17 20.932 -0.852 0.266 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.614 0.034 0.825 1.00 0.00 O ATOM 210 OD2 ASP A 17 21.107 -2.086 0.364 1.00 0.00 O ATOM 0 H ASP A 17 18.247 2.470 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 17 20.809 1.495 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.837 -0.592 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.778 -0.971 -1.537 1.00 0.00 H new ATOM 215 N GLY A 18 18.111 1.329 -2.689 1.00 0.00 N ATOM 216 CA GLY A 18 17.593 1.455 -4.041 1.00 0.00 C ATOM 217 C GLY A 18 16.063 1.490 -4.040 1.00 0.00 C ATOM 218 O GLY A 18 15.451 1.991 -3.098 1.00 0.00 O ATOM 0 H GLY A 18 17.400 1.327 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.981 2.364 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.941 0.619 -4.647 1.00 0.00 H new ATOM 222 N LYS A 19 15.490 0.953 -5.107 1.00 0.00 N ATOM 223 CA LYS A 19 14.043 0.917 -5.241 1.00 0.00 C ATOM 224 C LYS A 19 13.585 -0.536 -5.387 1.00 0.00 C ATOM 225 O LYS A 19 14.327 -1.376 -5.894 1.00 0.00 O ATOM 226 CB LYS A 19 13.589 1.823 -6.386 1.00 0.00 C ATOM 227 CG LYS A 19 12.683 2.944 -5.872 1.00 0.00 C ATOM 228 CD LYS A 19 11.813 3.506 -6.998 1.00 0.00 C ATOM 229 CE LYS A 19 12.175 4.963 -7.295 1.00 0.00 C ATOM 230 NZ LYS A 19 13.099 5.042 -8.449 1.00 0.00 N ATOM 0 H LYS A 19 16.001 0.539 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 19 13.567 1.313 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.460 2.253 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.056 1.233 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.048 2.565 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.291 3.741 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.943 2.905 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.762 3.438 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.270 5.533 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.639 5.415 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.335 6.037 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.969 4.515 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.643 4.630 -9.288 1.00 0.00 H new ATOM 244 N VAL A 20 12.366 -0.786 -4.934 1.00 0.00 N ATOM 245 CA VAL A 20 11.800 -2.123 -5.009 1.00 0.00 C ATOM 246 C VAL A 20 10.278 -2.022 -5.128 1.00 0.00 C ATOM 247 O VAL A 20 9.698 -0.972 -4.851 1.00 0.00 O ATOM 248 CB VAL A 20 12.252 -2.950 -3.803 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.778 -3.017 -3.726 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.660 -2.396 -2.506 1.00 0.00 C ATOM 0 H VAL A 20 11.754 -0.086 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 20 12.161 -2.642 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 20 11.879 -3.966 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.073 -3.610 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.168 -3.479 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.182 -2.009 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.997 -3.002 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.989 -1.366 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.572 -2.425 -2.561 1.00 0.00 H new ATOM 260 N ALA A 21 9.674 -3.126 -5.540 1.00 0.00 N ATOM 261 CA ALA A 21 8.230 -3.175 -5.699 1.00 0.00 C ATOM 262 C ALA A 21 7.574 -3.309 -4.323 1.00 0.00 C ATOM 263 O ALA A 21 8.201 -3.782 -3.376 1.00 0.00 O ATOM 264 CB ALA A 21 7.858 -4.325 -6.637 1.00 0.00 C ATOM 0 H ALA A 21 10.158 -3.994 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 21 7.862 -2.254 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.775 -4.362 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.325 -4.167 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.209 -5.267 -6.215 1.00 0.00 H new ATOM 270 N LEU A 22 6.321 -2.885 -4.257 1.00 0.00 N ATOM 271 CA LEU A 22 5.573 -2.952 -3.013 1.00 0.00 C ATOM 272 C LEU A 22 5.277 -4.416 -2.679 1.00 0.00 C ATOM 273 O LEU A 22 4.802 -4.723 -1.587 1.00 0.00 O ATOM 274 CB LEU A 22 4.323 -2.074 -3.091 1.00 0.00 C ATOM 275 CG LEU A 22 4.115 -1.097 -1.932 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.729 -0.454 -1.998 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.366 -1.781 -0.587 1.00 0.00 C ATOM 0 H LEU A 22 5.805 -2.494 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 22 6.165 -2.550 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.362 -1.503 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.450 -2.724 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 22 4.846 -0.294 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.608 0.236 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.625 0.091 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.965 -1.230 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.211 -1.065 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.675 -2.616 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.391 -2.151 -0.553 1.00 0.00 H new ATOM 289 N ASN A 23 5.569 -5.279 -3.640 1.00 0.00 N ATOM 290 CA ASN A 23 5.339 -6.703 -3.462 1.00 0.00 C ATOM 291 C ASN A 23 6.671 -7.397 -3.168 1.00 0.00 C ATOM 292 O ASN A 23 6.812 -8.598 -3.392 1.00 0.00 O ATOM 293 CB ASN A 23 4.750 -7.329 -4.728 1.00 0.00 C ATOM 294 CG ASN A 23 5.758 -7.290 -5.879 1.00 0.00 C ATOM 295 OD1 ASN A 23 5.448 -6.424 -6.840 1.00 0.00 O flip ATOM 296 ND2 ASN A 23 6.750 -7.999 -5.893 1.00 0.00 N flip ATOM 0 H ASN A 23 5.963 -5.020 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 23 4.638 -6.831 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.461 -8.361 -4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.844 -6.795 -5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.928 -8.643 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.402 -7.948 -6.676 1.00 0.00 H new ATOM 303 N GLN A 24 7.614 -6.610 -2.671 1.00 0.00 N ATOM 304 CA GLN A 24 8.929 -7.134 -2.343 1.00 0.00 C ATOM 305 C GLN A 24 9.226 -6.932 -0.856 1.00 0.00 C ATOM 306 O GLN A 24 9.551 -7.884 -0.149 1.00 0.00 O ATOM 307 CB GLN A 24 10.010 -6.485 -3.211 1.00 0.00 C ATOM 308 CG GLN A 24 9.606 -6.495 -4.687 1.00 0.00 C ATOM 309 CD GLN A 24 9.644 -7.914 -5.256 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.176 -8.012 -6.498 1.00 0.00 O flip ATOM 311 NE2 GLN A 24 10.071 -8.858 -4.612 1.00 0.00 N flip ATOM 0 H GLN A 24 7.494 -5.614 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 24 8.934 -8.204 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.178 -5.459 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.952 -7.018 -3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.603 -6.082 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.278 -5.853 -5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.416 -8.714 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.083 -9.792 -5.023 1.00 0.00 H new ATOM 320 N ILE A 25 9.104 -5.685 -0.425 1.00 0.00 N ATOM 321 CA ILE A 25 9.355 -5.345 0.965 1.00 0.00 C ATOM 322 C ILE A 25 8.207 -5.871 1.829 1.00 0.00 C ATOM 323 O ILE A 25 8.423 -6.296 2.963 1.00 0.00 O ATOM 324 CB ILE A 25 9.599 -3.842 1.114 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.308 -3.052 0.891 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.724 -3.375 0.189 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.551 -1.550 1.047 1.00 0.00 C ATOM 0 H ILE A 25 8.834 -4.897 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 25 10.267 -5.828 1.317 1.00 0.00 H new ATOM 0 HB ILE A 25 9.922 -3.648 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.918 -3.259 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.550 -3.377 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.877 -2.303 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.644 -3.905 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.454 -3.584 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.618 -1.011 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.918 -1.343 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.291 -1.223 0.316 1.00 0.00 H new ATOM 339 N GLY A 26 7.011 -5.824 1.260 1.00 0.00 N ATOM 340 CA GLY A 26 5.829 -6.289 1.965 1.00 0.00 C ATOM 341 C GLY A 26 5.006 -7.236 1.088 1.00 0.00 C ATOM 342 O GLY A 26 5.061 -7.157 -0.138 1.00 0.00 O ATOM 0 H GLY A 26 6.836 -5.471 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.125 -6.800 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.217 -5.436 2.259 1.00 0.00 H new ATOM 346 N GLN A 27 4.262 -8.109 1.752 1.00 0.00 N ATOM 347 CA GLN A 27 3.429 -9.070 1.048 1.00 0.00 C ATOM 348 C GLN A 27 1.993 -8.552 0.946 1.00 0.00 C ATOM 349 O GLN A 27 1.290 -8.458 1.951 1.00 0.00 O ATOM 350 CB GLN A 27 3.472 -10.437 1.733 1.00 0.00 C ATOM 351 CG GLN A 27 4.300 -11.433 0.919 1.00 0.00 C ATOM 352 CD GLN A 27 4.234 -12.833 1.533 1.00 0.00 C ATOM 353 OE1 GLN A 27 3.601 -13.063 2.551 1.00 0.00 O ATOM 354 NE2 GLN A 27 4.920 -13.752 0.860 1.00 0.00 N ATOM 0 H GLN A 27 4.219 -8.171 2.769 1.00 0.00 H new ATOM 0 HA GLN A 27 3.822 -9.194 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.898 -10.334 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.458 -10.817 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.932 -11.464 -0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.337 -11.100 0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.428 -13.492 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.938 -14.717 1.189 1.00 0.00 H new ATOM 363 N ILE A 28 1.601 -8.230 -0.278 1.00 0.00 N ATOM 364 CA ILE A 28 0.261 -7.724 -0.525 1.00 0.00 C ATOM 365 C ILE A 28 -0.724 -8.894 -0.555 1.00 0.00 C ATOM 366 O ILE A 28 -0.487 -9.892 -1.233 1.00 0.00 O ATOM 367 CB ILE A 28 0.237 -6.867 -1.793 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.149 -5.648 -1.648 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.195 -6.472 -2.160 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.000 -5.447 -2.903 1.00 0.00 C ATOM 0 H ILE A 28 2.187 -8.310 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.052 -7.064 0.284 1.00 0.00 H new ATOM 0 HB ILE A 28 0.627 -7.464 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.546 -4.758 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.798 -5.776 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.184 -5.864 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.787 -7.371 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.635 -5.900 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.639 -4.574 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.619 -6.329 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.349 -5.295 -3.764 1.00 0.00 H new ATOM 382 N SER A 29 -1.808 -8.733 0.190 1.00 0.00 N ATOM 383 CA SER A 29 -2.830 -9.764 0.257 1.00 0.00 C ATOM 384 C SER A 29 -4.204 -9.125 0.472 1.00 0.00 C ATOM 385 O SER A 29 -4.534 -8.715 1.584 1.00 0.00 O ATOM 386 CB SER A 29 -2.529 -10.765 1.374 1.00 0.00 C ATOM 387 OG SER A 29 -3.496 -11.810 1.429 1.00 0.00 O ATOM 0 H SER A 29 -2.001 -7.904 0.752 1.00 0.00 H new ATOM 0 HA SER A 29 -2.833 -10.306 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.539 -11.195 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.504 -10.244 2.331 1.00 0.00 H new ATOM 0 HG SER A 29 -3.268 -12.429 2.154 1.00 0.00 H new ATOM 393 N MET A 30 -4.967 -9.061 -0.609 1.00 0.00 N ATOM 394 CA MET A 30 -6.297 -8.480 -0.552 1.00 0.00 C ATOM 395 C MET A 30 -7.258 -9.384 0.223 1.00 0.00 C ATOM 396 O MET A 30 -7.962 -10.200 -0.369 1.00 0.00 O ATOM 397 CB MET A 30 -6.825 -8.274 -1.973 1.00 0.00 C ATOM 398 CG MET A 30 -7.002 -6.785 -2.282 1.00 0.00 C ATOM 399 SD MET A 30 -8.706 -6.445 -2.692 1.00 0.00 S ATOM 400 CE MET A 30 -8.910 -4.868 -1.882 1.00 0.00 C ATOM 0 H MET A 30 -4.689 -9.402 -1.529 1.00 0.00 H new ATOM 0 HA MET A 30 -6.233 -7.522 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.134 -8.718 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.779 -8.789 -2.089 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.700 -6.188 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.356 -6.498 -3.111 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.632 -4.266 -2.434 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.270 -5.025 -0.865 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.952 -4.348 -1.851 1.00 0.00 H new ATOM 410 N LYS A 31 -7.256 -9.207 1.536 1.00 0.00 N ATOM 411 CA LYS A 31 -8.118 -9.996 2.399 1.00 0.00 C ATOM 412 C LYS A 31 -9.449 -9.266 2.589 1.00 0.00 C ATOM 413 O LYS A 31 -10.484 -9.897 2.796 1.00 0.00 O ATOM 414 CB LYS A 31 -7.405 -10.327 3.712 1.00 0.00 C ATOM 415 CG LYS A 31 -8.352 -11.028 4.688 1.00 0.00 C ATOM 416 CD LYS A 31 -8.278 -12.548 4.528 1.00 0.00 C ATOM 417 CE LYS A 31 -6.929 -13.085 5.011 1.00 0.00 C ATOM 418 NZ LYS A 31 -7.110 -13.940 6.206 1.00 0.00 N ATOM 0 H LYS A 31 -6.671 -8.528 2.023 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.344 -10.956 1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.545 -10.966 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.024 -9.411 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.094 -10.753 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.374 -10.690 4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.084 -13.016 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.426 -12.815 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.453 -13.658 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.264 -12.255 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.185 -14.296 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.545 -13.383 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.728 -14.742 5.968 1.00 0.00 H new ATOM 432 N SER A 32 -9.379 -7.945 2.510 1.00 0.00 N ATOM 433 CA SER A 32 -10.565 -7.122 2.670 1.00 0.00 C ATOM 434 C SER A 32 -11.167 -6.799 1.301 1.00 0.00 C ATOM 435 O SER A 32 -10.621 -7.191 0.271 1.00 0.00 O ATOM 436 CB SER A 32 -10.242 -5.831 3.426 1.00 0.00 C ATOM 437 OG SER A 32 -8.891 -5.800 3.877 1.00 0.00 O ATOM 0 H SER A 32 -8.519 -7.425 2.337 1.00 0.00 H new ATOM 0 HA SER A 32 -11.293 -7.682 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.427 -4.975 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.912 -5.734 4.281 1.00 0.00 H new ATOM 0 HG SER A 32 -8.297 -5.622 3.118 1.00 0.00 H new ATOM 443 N PRO A 33 -12.314 -6.069 1.335 1.00 0.00 N ATOM 444 CA PRO A 33 -12.996 -5.689 0.110 1.00 0.00 C ATOM 445 C PRO A 33 -12.254 -4.556 -0.602 1.00 0.00 C ATOM 446 O PRO A 33 -11.935 -4.664 -1.785 1.00 0.00 O ATOM 447 CB PRO A 33 -14.399 -5.299 0.545 1.00 0.00 C ATOM 448 CG PRO A 33 -14.313 -5.030 2.038 1.00 0.00 C ATOM 449 CD PRO A 33 -12.989 -5.587 2.537 1.00 0.00 C ATOM 0 HA PRO A 33 -13.030 -6.498 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.743 -4.415 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.110 -6.097 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.376 -3.960 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.146 -5.501 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.401 -4.820 3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.143 -6.393 3.255 1.00 0.00 H new ATOM 457 N GLN A 34 -12.002 -3.494 0.149 1.00 0.00 N ATOM 458 CA GLN A 34 -11.304 -2.341 -0.395 1.00 0.00 C ATOM 459 C GLN A 34 -10.193 -1.895 0.558 1.00 0.00 C ATOM 460 O GLN A 34 -10.019 -0.701 0.798 1.00 0.00 O ATOM 461 CB GLN A 34 -12.276 -1.195 -0.678 1.00 0.00 C ATOM 462 CG GLN A 34 -12.883 -1.324 -2.077 1.00 0.00 C ATOM 463 CD GLN A 34 -14.396 -1.096 -2.042 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.077 -1.423 -1.084 1.00 0.00 O ATOM 465 NE2 GLN A 34 -14.881 -0.517 -3.136 1.00 0.00 N ATOM 0 H GLN A 34 -12.269 -3.408 1.130 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.849 -2.630 -1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.070 -1.194 0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.755 -0.241 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.418 -0.601 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.670 -2.314 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.255 -0.269 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.879 -0.321 -3.209 1.00 0.00 H new ATOM 474 N VAL A 35 -9.471 -2.878 1.075 1.00 0.00 N ATOM 475 CA VAL A 35 -8.381 -2.601 1.997 1.00 0.00 C ATOM 476 C VAL A 35 -7.292 -3.661 1.824 1.00 0.00 C ATOM 477 O VAL A 35 -7.495 -4.827 2.159 1.00 0.00 O ATOM 478 CB VAL A 35 -8.915 -2.521 3.428 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.776 -2.622 4.444 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.726 -1.240 3.640 1.00 0.00 C ATOM 0 H VAL A 35 -9.619 -3.867 0.874 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.931 -1.633 1.777 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.581 -3.369 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.183 -2.562 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.258 -3.573 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.074 -1.803 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.094 -1.208 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.092 -0.373 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.570 -1.226 2.951 1.00 0.00 H new ATOM 490 N ILE A 36 -6.158 -3.218 1.300 1.00 0.00 N ATOM 491 CA ILE A 36 -5.035 -4.114 1.079 1.00 0.00 C ATOM 492 C ILE A 36 -4.209 -4.216 2.362 1.00 0.00 C ATOM 493 O ILE A 36 -4.070 -3.237 3.095 1.00 0.00 O ATOM 494 CB ILE A 36 -4.226 -3.667 -0.140 1.00 0.00 C ATOM 495 CG1 ILE A 36 -4.987 -3.949 -1.437 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.836 -4.308 -0.140 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.114 -2.682 -2.285 1.00 0.00 C ATOM 0 H ILE A 36 -5.993 -2.251 1.022 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.389 -5.119 0.847 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.084 -2.588 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.469 -4.721 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.979 -4.336 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.281 -3.974 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.300 -4.014 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.936 -5.393 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.659 -2.910 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.653 -1.920 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.120 -2.312 -2.537 1.00 0.00 H new ATOM 509 N LEU A 37 -3.681 -5.408 2.595 1.00 0.00 N ATOM 510 CA LEU A 37 -2.872 -5.651 3.778 1.00 0.00 C ATOM 511 C LEU A 37 -1.473 -6.098 3.350 1.00 0.00 C ATOM 512 O LEU A 37 -1.309 -7.176 2.780 1.00 0.00 O ATOM 513 CB LEU A 37 -3.573 -6.637 4.714 1.00 0.00 C ATOM 514 CG LEU A 37 -4.871 -6.143 5.358 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.686 -7.312 5.915 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.585 -5.084 6.425 1.00 0.00 C ATOM 0 H LEU A 37 -3.797 -6.217 1.985 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.752 -4.733 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.792 -7.546 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.878 -6.911 5.508 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.476 -5.667 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.603 -6.934 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.937 -7.999 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.100 -7.838 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.524 -4.750 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.951 -5.512 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.077 -4.235 5.968 1.00 0.00 H new ATOM 528 N VAL A 38 -0.500 -5.248 3.641 1.00 0.00 N ATOM 529 CA VAL A 38 0.880 -5.542 3.294 1.00 0.00 C ATOM 530 C VAL A 38 1.657 -5.896 4.564 1.00 0.00 C ATOM 531 O VAL A 38 1.827 -5.056 5.446 1.00 0.00 O ATOM 532 CB VAL A 38 1.490 -4.366 2.529 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.908 -4.694 2.058 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.602 -3.959 1.351 1.00 0.00 C ATOM 0 H VAL A 38 -0.640 -4.355 4.114 1.00 0.00 H new ATOM 0 HA VAL A 38 0.931 -6.405 2.630 1.00 0.00 H new ATOM 0 HB VAL A 38 1.552 -3.518 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.318 -3.841 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.537 -4.913 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.881 -5.562 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.058 -3.121 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.494 -4.802 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.380 -3.664 1.721 1.00 0.00 H new ATOM 544 N ASN A 39 2.108 -7.141 4.616 1.00 0.00 N ATOM 545 CA ASN A 39 2.863 -7.616 5.763 1.00 0.00 C ATOM 546 C ASN A 39 4.341 -7.271 5.574 1.00 0.00 C ATOM 547 O ASN A 39 4.948 -7.650 4.573 1.00 0.00 O ATOM 548 CB ASN A 39 2.747 -9.135 5.908 1.00 0.00 C ATOM 549 CG ASN A 39 3.287 -9.599 7.262 1.00 0.00 C ATOM 550 OD1 ASN A 39 4.370 -9.230 7.687 1.00 0.00 O ATOM 551 ND2 ASN A 39 2.476 -10.428 7.913 1.00 0.00 N ATOM 0 H ASN A 39 1.965 -7.835 3.882 1.00 0.00 H new ATOM 0 HA ASN A 39 2.459 -7.136 6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.704 -9.435 5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.299 -9.624 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.747 -10.795 8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.583 -10.697 7.500 1.00 0.00 H new ATOM 558 N MET A 40 4.879 -6.555 6.551 1.00 0.00 N ATOM 559 CA MET A 40 6.275 -6.155 6.504 1.00 0.00 C ATOM 560 C MET A 40 7.076 -6.829 7.620 1.00 0.00 C ATOM 561 O MET A 40 7.806 -6.164 8.354 1.00 0.00 O ATOM 562 CB MET A 40 6.375 -4.635 6.649 1.00 0.00 C ATOM 563 CG MET A 40 5.491 -3.927 5.621 1.00 0.00 C ATOM 564 SD MET A 40 6.309 -3.888 4.035 1.00 0.00 S ATOM 565 CE MET A 40 7.710 -2.857 4.434 1.00 0.00 C ATOM 0 H MET A 40 4.373 -6.242 7.380 1.00 0.00 H new ATOM 0 HA MET A 40 6.691 -6.466 5.546 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.075 -4.342 7.655 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.411 -4.321 6.521 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.535 -4.444 5.534 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.275 -2.911 5.953 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.638 -1.918 3.886 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.718 -2.653 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.630 -3.370 4.155 1.00 0.00 H new ATOM 575 N ALA A 41 6.912 -8.140 7.714 1.00 0.00 N ATOM 576 CA ALA A 41 7.611 -8.911 8.728 1.00 0.00 C ATOM 577 C ALA A 41 9.056 -9.143 8.281 1.00 0.00 C ATOM 578 O ALA A 41 9.922 -9.445 9.100 1.00 0.00 O ATOM 579 CB ALA A 41 6.862 -10.221 8.980 1.00 0.00 C ATOM 0 H ALA A 41 6.305 -8.688 7.104 1.00 0.00 H new ATOM 0 HA ALA A 41 7.641 -8.366 9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.386 -10.799 9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.851 -10.002 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.814 -10.796 8.056 1.00 0.00 H new ATOM 585 N SER A 42 9.271 -8.992 6.982 1.00 0.00 N ATOM 586 CA SER A 42 10.596 -9.182 6.416 1.00 0.00 C ATOM 587 C SER A 42 11.246 -7.824 6.140 1.00 0.00 C ATOM 588 O SER A 42 12.418 -7.756 5.775 1.00 0.00 O ATOM 589 CB SER A 42 10.533 -10.011 5.132 1.00 0.00 C ATOM 590 OG SER A 42 11.101 -11.306 5.304 1.00 0.00 O ATOM 0 H SER A 42 8.550 -8.740 6.306 1.00 0.00 H new ATOM 0 HA SER A 42 11.202 -9.728 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.495 -10.110 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.061 -9.486 4.336 1.00 0.00 H new ATOM 0 HG SER A 42 11.040 -11.804 4.462 1.00 0.00 H new ATOM 596 N PHE A 43 10.456 -6.777 6.326 1.00 0.00 N ATOM 597 CA PHE A 43 10.939 -5.425 6.101 1.00 0.00 C ATOM 598 C PHE A 43 10.210 -4.426 7.001 1.00 0.00 C ATOM 599 O PHE A 43 9.473 -3.569 6.514 1.00 0.00 O ATOM 600 CB PHE A 43 10.649 -5.083 4.638 1.00 0.00 C ATOM 601 CG PHE A 43 11.387 -5.970 3.634 1.00 0.00 C ATOM 602 CD1 PHE A 43 10.907 -7.209 3.339 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.522 -5.521 3.035 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.592 -8.032 2.407 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.207 -6.344 2.103 1.00 0.00 C ATOM 606 CZ PHE A 43 12.727 -7.583 1.808 1.00 0.00 C ATOM 0 H PHE A 43 9.484 -6.838 6.630 1.00 0.00 H new ATOM 0 HA PHE A 43 12.004 -5.368 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.577 -5.167 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.922 -4.043 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.005 -7.566 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.903 -4.538 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.211 -9.015 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.109 -5.987 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.247 -8.209 1.098 1.00 0.00 H new ATOM 616 N PRO A 44 10.447 -4.571 8.332 1.00 0.00 N ATOM 617 CA PRO A 44 9.821 -3.691 9.304 1.00 0.00 C ATOM 618 C PRO A 44 10.484 -2.312 9.302 1.00 0.00 C ATOM 619 O PRO A 44 9.901 -1.338 9.776 1.00 0.00 O ATOM 620 CB PRO A 44 9.959 -4.413 10.635 1.00 0.00 C ATOM 621 CG PRO A 44 11.058 -5.445 10.437 1.00 0.00 C ATOM 622 CD PRO A 44 11.314 -5.574 8.945 1.00 0.00 C ATOM 0 HA PRO A 44 8.773 -3.494 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.217 -3.716 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.021 -4.891 10.919 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.967 -5.139 10.955 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.760 -6.405 10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.362 -5.391 8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.075 -6.576 8.587 1.00 0.00 H new ATOM 630 N GLU A 45 11.694 -2.273 8.763 1.00 0.00 N ATOM 631 CA GLU A 45 12.442 -1.030 8.693 1.00 0.00 C ATOM 632 C GLU A 45 12.077 -0.261 7.421 1.00 0.00 C ATOM 633 O GLU A 45 12.406 0.916 7.287 1.00 0.00 O ATOM 634 CB GLU A 45 13.948 -1.291 8.761 1.00 0.00 C ATOM 635 CG GLU A 45 14.429 -2.052 7.524 1.00 0.00 C ATOM 636 CD GLU A 45 14.999 -3.419 7.908 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.850 -3.442 8.824 1.00 0.00 O ATOM 638 OE2 GLU A 45 14.571 -4.410 7.278 1.00 0.00 O ATOM 0 H GLU A 45 12.175 -3.083 8.371 1.00 0.00 H new ATOM 0 HA GLU A 45 12.173 -0.419 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.482 -0.344 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.181 -1.864 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.600 -2.182 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.191 -1.469 7.007 1.00 0.00 H new ATOM 645 N CYS A 46 11.400 -0.959 6.520 1.00 0.00 N ATOM 646 CA CYS A 46 10.986 -0.357 5.264 1.00 0.00 C ATOM 647 C CYS A 46 9.466 -0.191 5.289 1.00 0.00 C ATOM 648 O CYS A 46 8.840 -0.013 4.245 1.00 0.00 O ATOM 649 CB CYS A 46 11.450 -1.181 4.062 1.00 0.00 C ATOM 650 SG CYS A 46 12.930 -0.412 3.308 1.00 0.00 S ATOM 0 H CYS A 46 11.128 -1.935 6.635 1.00 0.00 H new ATOM 0 HA CYS A 46 11.456 0.621 5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.679 -2.199 4.376 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.649 -1.247 3.325 1.00 0.00 H new ATOM 0 HG CYS A 46 13.561 -1.295 2.592 1.00 0.00 H new ATOM 656 N THR A 47 8.915 -0.254 6.493 1.00 0.00 N ATOM 657 CA THR A 47 7.480 -0.113 6.668 1.00 0.00 C ATOM 658 C THR A 47 7.010 1.246 6.143 1.00 0.00 C ATOM 659 O THR A 47 6.297 1.316 5.144 1.00 0.00 O ATOM 660 CB THR A 47 7.159 -0.337 8.147 1.00 0.00 C ATOM 661 OG1 THR A 47 7.588 -1.673 8.396 1.00 0.00 O ATOM 662 CG2 THR A 47 5.655 -0.371 8.421 1.00 0.00 C ATOM 0 H THR A 47 9.437 -0.401 7.357 1.00 0.00 H new ATOM 0 HA THR A 47 6.936 -0.857 6.087 1.00 0.00 H new ATOM 0 HB THR A 47 7.618 0.453 8.742 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.277 -1.957 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.483 -0.532 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.209 0.577 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.200 -1.182 7.853 1.00 0.00 H new ATOM 670 N ALA A 48 7.429 2.291 6.842 1.00 0.00 N ATOM 671 CA ALA A 48 7.060 3.643 6.459 1.00 0.00 C ATOM 672 C ALA A 48 7.282 3.822 4.956 1.00 0.00 C ATOM 673 O ALA A 48 6.400 4.305 4.248 1.00 0.00 O ATOM 674 CB ALA A 48 7.863 4.646 7.290 1.00 0.00 C ATOM 0 H ALA A 48 8.020 2.228 7.671 1.00 0.00 H new ATOM 0 HA ALA A 48 6.004 3.824 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.586 5.660 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.648 4.497 8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.928 4.496 7.112 1.00 0.00 H new ATOM 680 N ALA A 49 8.465 3.422 4.513 1.00 0.00 N ATOM 681 CA ALA A 49 8.813 3.531 3.107 1.00 0.00 C ATOM 682 C ALA A 49 7.594 3.176 2.254 1.00 0.00 C ATOM 683 O ALA A 49 7.137 3.986 1.450 1.00 0.00 O ATOM 684 CB ALA A 49 10.016 2.634 2.807 1.00 0.00 C ATOM 0 H ALA A 49 9.194 3.022 5.103 1.00 0.00 H new ATOM 0 HA ALA A 49 9.100 4.554 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.277 2.716 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.864 2.947 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.765 1.599 3.039 1.00 0.00 H new ATOM 690 N ALA A 50 7.102 1.963 2.459 1.00 0.00 N ATOM 691 CA ALA A 50 5.944 1.490 1.719 1.00 0.00 C ATOM 692 C ALA A 50 4.840 2.548 1.777 1.00 0.00 C ATOM 693 O ALA A 50 4.460 3.110 0.752 1.00 0.00 O ATOM 694 CB ALA A 50 5.491 0.143 2.286 1.00 0.00 C ATOM 0 H ALA A 50 7.484 1.293 3.127 1.00 0.00 H new ATOM 0 HA ALA A 50 6.196 1.334 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.623 -0.212 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.301 -0.581 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.227 0.261 3.337 1.00 0.00 H new ATOM 700 N ILE A 51 4.357 2.787 2.988 1.00 0.00 N ATOM 701 CA ILE A 51 3.304 3.767 3.193 1.00 0.00 C ATOM 702 C ILE A 51 3.571 4.988 2.310 1.00 0.00 C ATOM 703 O ILE A 51 2.665 5.486 1.643 1.00 0.00 O ATOM 704 CB ILE A 51 3.166 4.101 4.679 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.406 3.000 5.421 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.521 5.475 4.875 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.105 2.638 6.732 1.00 0.00 C ATOM 0 H ILE A 51 4.675 2.319 3.836 1.00 0.00 H new ATOM 0 HA ILE A 51 2.339 3.359 2.891 1.00 0.00 H new ATOM 0 HB ILE A 51 4.165 4.150 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.388 3.331 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.331 2.115 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.435 5.688 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.139 6.238 4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.529 5.479 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.544 1.853 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.114 2.284 6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.156 3.519 7.372 1.00 0.00 H new ATOM 719 N LYS A 52 4.818 5.435 2.335 1.00 0.00 N ATOM 720 CA LYS A 52 5.215 6.588 1.545 1.00 0.00 C ATOM 721 C LYS A 52 4.826 6.358 0.083 1.00 0.00 C ATOM 722 O LYS A 52 3.933 7.025 -0.437 1.00 0.00 O ATOM 723 CB LYS A 52 6.702 6.889 1.746 1.00 0.00 C ATOM 724 CG LYS A 52 6.898 8.204 2.503 1.00 0.00 C ATOM 725 CD LYS A 52 8.012 8.076 3.543 1.00 0.00 C ATOM 726 CE LYS A 52 7.642 8.808 4.835 1.00 0.00 C ATOM 727 NZ LYS A 52 8.859 9.148 5.606 1.00 0.00 N ATOM 0 H LYS A 52 5.566 5.020 2.890 1.00 0.00 H new ATOM 0 HA LYS A 52 4.685 7.480 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.170 6.074 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.199 6.945 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.142 9.000 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.967 8.487 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.196 7.023 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.939 8.486 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.088 9.717 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.985 8.182 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.589 9.644 6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.372 8.276 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.472 9.763 5.034 1.00 0.00 H new ATOM 741 N ALA A 53 5.516 5.413 -0.538 1.00 0.00 N ATOM 742 CA ALA A 53 5.254 5.086 -1.929 1.00 0.00 C ATOM 743 C ALA A 53 3.770 5.308 -2.230 1.00 0.00 C ATOM 744 O ALA A 53 3.423 6.024 -3.167 1.00 0.00 O ATOM 745 CB ALA A 53 5.697 3.649 -2.209 1.00 0.00 C ATOM 0 H ALA A 53 6.257 4.863 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 53 5.826 5.737 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.500 3.404 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.764 3.552 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.143 2.966 -1.565 1.00 0.00 H new ATOM 751 N ILE A 54 2.934 4.679 -1.416 1.00 0.00 N ATOM 752 CA ILE A 54 1.496 4.799 -1.583 1.00 0.00 C ATOM 753 C ILE A 54 1.113 6.279 -1.624 1.00 0.00 C ATOM 754 O ILE A 54 0.553 6.752 -2.613 1.00 0.00 O ATOM 755 CB ILE A 54 0.763 4.004 -0.500 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.983 2.501 -0.680 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.723 4.366 -0.465 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.787 1.921 0.485 1.00 0.00 C ATOM 0 H ILE A 54 3.225 4.085 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 54 1.185 4.363 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 54 1.183 4.277 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.020 1.995 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.509 2.316 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.220 3.787 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.834 5.429 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.175 4.140 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.929 0.851 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.759 2.412 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.247 2.086 1.417 1.00 0.00 H new ATOM 770 N ARG A 55 1.430 6.970 -0.539 1.00 0.00 N ATOM 771 CA ARG A 55 1.125 8.388 -0.440 1.00 0.00 C ATOM 772 C ARG A 55 1.718 9.143 -1.631 1.00 0.00 C ATOM 773 O ARG A 55 1.047 9.976 -2.238 1.00 0.00 O ATOM 774 CB ARG A 55 1.680 8.980 0.858 1.00 0.00 C ATOM 775 CG ARG A 55 0.696 8.787 2.013 1.00 0.00 C ATOM 776 CD ARG A 55 1.299 7.901 3.105 1.00 0.00 C ATOM 777 NE ARG A 55 1.517 8.692 4.336 1.00 0.00 N ATOM 778 CZ ARG A 55 2.602 9.446 4.563 1.00 0.00 C ATOM 779 NH1 ARG A 55 3.574 9.515 3.643 1.00 0.00 N ATOM 780 NH2 ARG A 55 2.715 10.130 5.709 1.00 0.00 N ATOM 0 H ARG A 55 1.895 6.575 0.279 1.00 0.00 H new ATOM 0 HA ARG A 55 0.040 8.495 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.630 8.505 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.881 10.042 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.428 9.756 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.224 8.336 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.633 7.064 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.244 7.479 2.762 1.00 0.00 H new ATOM 0 HE ARG A 55 0.797 8.662 5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.488 8.994 2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.400 10.089 3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.975 10.077 6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.541 10.704 5.881 1.00 0.00 H new ATOM 794 N GLU A 56 2.969 8.825 -1.930 1.00 0.00 N ATOM 795 CA GLU A 56 3.659 9.463 -3.038 1.00 0.00 C ATOM 796 C GLU A 56 2.964 9.128 -4.360 1.00 0.00 C ATOM 797 O GLU A 56 2.959 9.939 -5.285 1.00 0.00 O ATOM 798 CB GLU A 56 5.133 9.053 -3.075 1.00 0.00 C ATOM 799 CG GLU A 56 5.899 9.658 -1.897 1.00 0.00 C ATOM 800 CD GLU A 56 7.194 10.322 -2.369 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.082 11.325 -3.107 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.268 9.812 -1.982 1.00 0.00 O ATOM 0 H GLU A 56 3.523 8.134 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 56 3.619 10.542 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.213 7.966 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.582 9.381 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.273 10.393 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.129 8.879 -1.170 1.00 0.00 H new ATOM 809 N SER A 57 2.394 7.933 -4.406 1.00 0.00 N ATOM 810 CA SER A 57 1.697 7.482 -5.599 1.00 0.00 C ATOM 811 C SER A 57 0.604 8.483 -5.976 1.00 0.00 C ATOM 812 O SER A 57 0.195 9.301 -5.154 1.00 0.00 O ATOM 813 CB SER A 57 1.095 6.091 -5.391 1.00 0.00 C ATOM 814 OG SER A 57 0.713 5.486 -6.624 1.00 0.00 O ATOM 0 H SER A 57 2.400 7.263 -3.637 1.00 0.00 H new ATOM 0 HA SER A 57 2.418 7.418 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.820 5.454 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.225 6.166 -4.739 1.00 0.00 H new ATOM 0 HG SER A 57 -0.223 5.200 -6.572 1.00 0.00 H new ATOM 820 N GLY A 58 0.161 8.385 -7.221 1.00 0.00 N ATOM 821 CA GLY A 58 -0.877 9.272 -7.718 1.00 0.00 C ATOM 822 C GLY A 58 -2.237 8.919 -7.112 1.00 0.00 C ATOM 823 O GLY A 58 -3.192 8.645 -7.837 1.00 0.00 O ATOM 0 H GLY A 58 0.502 7.705 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.624 10.304 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.930 9.203 -8.804 1.00 0.00 H new ATOM 827 N MET A 59 -2.281 8.937 -5.787 1.00 0.00 N ATOM 828 CA MET A 59 -3.507 8.622 -5.075 1.00 0.00 C ATOM 829 C MET A 59 -3.461 9.156 -3.642 1.00 0.00 C ATOM 830 O MET A 59 -2.753 8.612 -2.796 1.00 0.00 O ATOM 831 CB MET A 59 -3.708 7.105 -5.049 1.00 0.00 C ATOM 832 CG MET A 59 -2.409 6.387 -4.676 1.00 0.00 C ATOM 833 SD MET A 59 -2.226 4.908 -5.658 1.00 0.00 S ATOM 834 CE MET A 59 -2.015 3.699 -4.362 1.00 0.00 C ATOM 0 H MET A 59 -1.487 9.165 -5.189 1.00 0.00 H new ATOM 0 HA MET A 59 -4.339 9.098 -5.594 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.488 6.850 -4.331 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.049 6.763 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.558 7.049 -4.838 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.416 6.131 -3.616 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.728 2.743 -4.800 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.236 4.033 -3.677 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.952 3.582 -3.817 1.00 0.00 H new ATOM 844 N ASN A 60 -4.226 10.213 -3.413 1.00 0.00 N ATOM 845 CA ASN A 60 -4.282 10.826 -2.097 1.00 0.00 C ATOM 846 C ASN A 60 -4.973 9.870 -1.123 1.00 0.00 C ATOM 847 O ASN A 60 -6.087 10.134 -0.674 1.00 0.00 O ATOM 848 CB ASN A 60 -5.083 12.129 -2.130 1.00 0.00 C ATOM 849 CG ASN A 60 -4.606 13.093 -1.042 1.00 0.00 C ATOM 850 OD1 ASN A 60 -4.966 12.987 0.119 1.00 0.00 O ATOM 851 ND2 ASN A 60 -3.779 14.037 -1.481 1.00 0.00 N ATOM 0 H ASN A 60 -4.813 10.661 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.261 11.039 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.980 12.599 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.142 11.913 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.405 14.730 -0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.518 14.068 -2.467 1.00 0.00 H new ATOM 858 N LEU A 61 -4.283 8.779 -0.824 1.00 0.00 N ATOM 859 CA LEU A 61 -4.816 7.783 0.089 1.00 0.00 C ATOM 860 C LEU A 61 -4.125 7.920 1.447 1.00 0.00 C ATOM 861 O LEU A 61 -3.042 8.495 1.541 1.00 0.00 O ATOM 862 CB LEU A 61 -4.704 6.384 -0.520 1.00 0.00 C ATOM 863 CG LEU A 61 -5.569 6.117 -1.754 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.099 4.862 -2.492 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.050 6.041 -1.379 1.00 0.00 C ATOM 0 H LEU A 61 -3.359 8.563 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.880 7.949 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.662 6.208 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.965 5.654 0.246 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.453 6.956 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.730 4.695 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.065 4.994 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.166 4.002 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.643 5.851 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.203 5.233 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.361 6.985 -0.932 1.00 0.00 H new ATOM 877 N ASN A 62 -4.780 7.381 2.465 1.00 0.00 N ATOM 878 CA ASN A 62 -4.243 7.436 3.814 1.00 0.00 C ATOM 879 C ASN A 62 -4.075 6.013 4.350 1.00 0.00 C ATOM 880 O ASN A 62 -4.986 5.469 4.971 1.00 0.00 O ATOM 881 CB ASN A 62 -5.188 8.187 4.754 1.00 0.00 C ATOM 882 CG ASN A 62 -4.460 8.635 6.022 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.110 7.842 6.881 1.00 0.00 O ATOM 884 ND2 ASN A 62 -4.250 9.946 6.091 1.00 0.00 N ATOM 0 H ASN A 62 -5.678 6.904 2.383 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.286 7.956 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.601 9.056 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.028 7.545 5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.770 10.344 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.569 10.554 5.337 1.00 0.00 H new ATOM 891 N PRO A 63 -2.873 5.436 4.083 1.00 0.00 N ATOM 892 CA PRO A 63 -2.574 4.087 4.532 1.00 0.00 C ATOM 893 C PRO A 63 -2.293 4.059 6.035 1.00 0.00 C ATOM 894 O PRO A 63 -1.882 5.064 6.612 1.00 0.00 O ATOM 895 CB PRO A 63 -1.382 3.650 3.696 1.00 0.00 C ATOM 896 CG PRO A 63 -0.769 4.926 3.144 1.00 0.00 C ATOM 897 CD PRO A 63 -1.770 6.051 3.350 1.00 0.00 C ATOM 0 HA PRO A 63 -3.411 3.403 4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.661 3.101 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.693 2.986 2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.168 5.151 3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.537 4.811 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.330 6.874 3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.107 6.461 2.398 1.00 0.00 H new ATOM 905 N GLU A 64 -2.526 2.896 6.627 1.00 0.00 N ATOM 906 CA GLU A 64 -2.302 2.724 8.052 1.00 0.00 C ATOM 907 C GLU A 64 -1.048 1.882 8.295 1.00 0.00 C ATOM 908 O GLU A 64 -0.408 1.428 7.348 1.00 0.00 O ATOM 909 CB GLU A 64 -3.523 2.095 8.726 1.00 0.00 C ATOM 910 CG GLU A 64 -4.726 3.038 8.672 1.00 0.00 C ATOM 911 CD GLU A 64 -5.231 3.364 10.080 1.00 0.00 C ATOM 912 OE1 GLU A 64 -4.382 3.750 10.912 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.455 3.220 10.291 1.00 0.00 O ATOM 0 H GLU A 64 -2.868 2.064 6.145 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.147 3.707 8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.771 1.155 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.288 1.858 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.448 3.959 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.527 2.579 8.092 1.00 0.00 H new ATOM 920 N VAL A 65 -0.733 1.701 9.569 1.00 0.00 N ATOM 921 CA VAL A 65 0.433 0.922 9.948 1.00 0.00 C ATOM 922 C VAL A 65 0.218 0.336 11.345 1.00 0.00 C ATOM 923 O VAL A 65 0.134 1.073 12.326 1.00 0.00 O ATOM 924 CB VAL A 65 1.693 1.785 9.851 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.981 2.488 11.179 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.894 0.953 9.399 1.00 0.00 C ATOM 0 H VAL A 65 -1.265 2.081 10.352 1.00 0.00 H new ATOM 0 HA VAL A 65 0.573 0.086 9.262 1.00 0.00 H new ATOM 0 HB VAL A 65 1.515 2.553 9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.882 3.094 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.139 3.128 11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.128 1.743 11.961 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.776 1.590 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.073 0.153 10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.690 0.522 8.419 1.00 0.00 H new ATOM 936 N GLU A 66 0.133 -0.986 11.390 1.00 0.00 N ATOM 937 CA GLU A 66 -0.071 -1.680 12.650 1.00 0.00 C ATOM 938 C GLU A 66 0.994 -2.762 12.839 1.00 0.00 C ATOM 939 O GLU A 66 0.934 -3.815 12.205 1.00 0.00 O ATOM 940 CB GLU A 66 -1.478 -2.277 12.725 1.00 0.00 C ATOM 941 CG GLU A 66 -2.466 -1.277 13.330 1.00 0.00 C ATOM 942 CD GLU A 66 -2.151 -1.019 14.805 1.00 0.00 C ATOM 943 OE1 GLU A 66 -1.351 -0.093 15.061 1.00 0.00 O ATOM 944 OE2 GLU A 66 -2.716 -1.754 15.643 1.00 0.00 O ATOM 0 H GLU A 66 0.202 -1.594 10.574 1.00 0.00 H new ATOM 0 HA GLU A 66 0.026 -0.957 13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.809 -2.563 11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.460 -3.186 13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.425 -0.339 12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.482 -1.660 13.233 1.00 0.00 H new ATOM 951 N GLY A 67 1.944 -2.466 13.714 1.00 0.00 N ATOM 952 CA GLY A 67 3.021 -3.400 13.994 1.00 0.00 C ATOM 953 C GLY A 67 3.924 -3.578 12.772 1.00 0.00 C ATOM 954 O GLY A 67 4.921 -2.873 12.624 1.00 0.00 O ATOM 0 H GLY A 67 1.990 -1.592 14.238 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.611 -3.039 14.837 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.604 -4.364 14.286 1.00 0.00 H new ATOM 958 N THR A 68 3.543 -4.525 11.927 1.00 0.00 N ATOM 959 CA THR A 68 4.306 -4.805 10.723 1.00 0.00 C ATOM 960 C THR A 68 3.372 -4.933 9.518 1.00 0.00 C ATOM 961 O THR A 68 3.804 -5.311 8.430 1.00 0.00 O ATOM 962 CB THR A 68 5.146 -6.058 10.976 1.00 0.00 C ATOM 963 OG1 THR A 68 4.344 -6.843 11.854 1.00 0.00 O ATOM 964 CG2 THR A 68 6.408 -5.763 11.789 1.00 0.00 C ATOM 0 H THR A 68 2.716 -5.108 12.053 1.00 0.00 H new ATOM 0 HA THR A 68 4.983 -3.985 10.484 1.00 0.00 H new ATOM 0 HB THR A 68 5.425 -6.506 10.022 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.813 -7.676 12.068 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.968 -6.686 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.028 -5.046 11.251 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.128 -5.346 12.756 1.00 0.00 H new ATOM 972 N LEU A 69 2.108 -4.611 9.752 1.00 0.00 N ATOM 973 CA LEU A 69 1.109 -4.686 8.699 1.00 0.00 C ATOM 974 C LEU A 69 0.766 -3.271 8.227 1.00 0.00 C ATOM 975 O LEU A 69 0.894 -2.312 8.986 1.00 0.00 O ATOM 976 CB LEU A 69 -0.105 -5.489 9.169 1.00 0.00 C ATOM 977 CG LEU A 69 -0.229 -6.907 8.607 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.592 -6.879 7.121 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.043 -7.715 8.871 1.00 0.00 C ATOM 0 H LEU A 69 1.753 -4.298 10.655 1.00 0.00 H new ATOM 0 HA LEU A 69 1.503 -5.224 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.075 -5.552 10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.006 -4.935 8.906 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.044 -7.410 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.674 -7.900 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.545 -6.367 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.184 -6.351 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.928 -8.719 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.892 -7.224 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.217 -7.779 9.945 1.00 0.00 H new ATOM 991 N ILE A 70 0.336 -3.187 6.977 1.00 0.00 N ATOM 992 CA ILE A 70 -0.026 -1.907 6.395 1.00 0.00 C ATOM 993 C ILE A 70 -1.424 -2.008 5.780 1.00 0.00 C ATOM 994 O ILE A 70 -1.701 -2.925 5.008 1.00 0.00 O ATOM 995 CB ILE A 70 1.047 -1.443 5.408 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.437 -1.498 6.045 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.723 -0.053 4.858 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.458 -0.732 5.200 1.00 0.00 C ATOM 0 H ILE A 70 0.230 -3.985 6.351 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.071 -1.138 7.166 1.00 0.00 H new ATOM 0 HB ILE A 70 1.053 -2.130 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.398 -1.074 7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.752 -2.536 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.502 0.252 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.237 -0.080 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.673 0.661 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.438 -0.787 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.512 -1.174 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.153 0.311 5.117 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.267 -1.054 6.145 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.629 -1.024 5.639 1.00 0.00 C ATOM 1012 C ARG A 71 -3.775 0.062 4.572 1.00 0.00 C ATOM 1013 O ARG A 71 -3.606 1.246 4.859 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.629 -0.760 6.766 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.911 -1.571 6.563 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.270 -2.353 7.828 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.151 -1.538 8.694 1.00 0.00 N ATOM 1018 CZ ARG A 71 -7.405 -1.815 9.980 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -6.846 -2.887 10.558 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -8.217 -1.019 10.689 1.00 0.00 N ATOM 0 H ARG A 71 -2.033 -0.295 6.786 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.842 -1.999 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.179 -1.019 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.869 0.303 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.731 -0.903 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.781 -2.261 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.770 -3.284 7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.363 -2.622 8.369 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.592 -0.714 8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.227 -3.492 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.040 -3.098 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.642 -0.202 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.410 -1.230 11.668 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.087 -0.380 3.362 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.258 0.540 2.250 1.00 0.00 C ATOM 1036 C VAL A 72 -5.693 0.442 1.729 1.00 0.00 C ATOM 1037 O VAL A 72 -6.018 -0.459 0.958 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.210 0.257 1.172 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -3.779 0.511 -0.225 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -1.945 1.084 1.407 1.00 0.00 C ATOM 0 H VAL A 72 -4.226 -1.363 3.128 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.100 1.568 2.576 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.938 -0.797 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.014 0.302 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.637 -0.140 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.092 1.552 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.216 0.864 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.194 2.145 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.522 0.833 2.380 1.00 0.00 H new ATOM 1050 N PRO A 73 -6.537 1.407 2.184 1.00 0.00 N ATOM 1051 CA PRO A 73 -7.930 1.439 1.773 1.00 0.00 C ATOM 1052 C PRO A 73 -8.066 1.949 0.336 1.00 0.00 C ATOM 1053 O PRO A 73 -7.311 2.821 -0.090 1.00 0.00 O ATOM 1054 CB PRO A 73 -8.620 2.334 2.788 1.00 0.00 C ATOM 1055 CG PRO A 73 -7.516 3.140 3.453 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.188 2.490 3.100 1.00 0.00 C ATOM 0 HA PRO A 73 -8.387 0.450 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.343 2.989 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.168 1.742 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.538 4.174 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.656 3.160 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.511 3.203 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.684 2.110 3.989 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.033 1.382 -0.370 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.277 1.768 -1.749 1.00 0.00 C ATOM 1066 C ILE A 74 -10.290 2.915 -1.781 1.00 0.00 C ATOM 1067 O ILE A 74 -11.251 2.921 -1.015 1.00 0.00 O ATOM 1068 CB ILE A 74 -9.698 0.554 -2.579 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -8.699 -0.594 -2.416 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -9.897 0.935 -4.047 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.543 -0.460 -3.409 1.00 0.00 C ATOM 0 H ILE A 74 -9.657 0.658 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.360 2.137 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.659 0.201 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.310 -0.600 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.206 -1.547 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.196 0.054 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.673 1.696 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.964 1.327 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.848 -1.288 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.933 -0.479 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.023 0.482 -3.237 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.032 3.884 -2.701 1.00 0.00 N ATOM 1084 CA PRO A 75 -10.909 5.033 -2.843 1.00 0.00 C ATOM 1085 C PRO A 75 -12.205 4.649 -3.561 1.00 0.00 C ATOM 1086 O PRO A 75 -12.282 3.592 -4.186 1.00 0.00 O ATOM 1087 CB PRO A 75 -10.090 6.061 -3.606 1.00 0.00 C ATOM 1088 CG PRO A 75 -8.960 5.287 -4.266 1.00 0.00 C ATOM 1089 CD PRO A 75 -8.902 3.910 -3.625 1.00 0.00 C ATOM 0 HA PRO A 75 -11.234 5.435 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.700 6.572 -4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.700 6.826 -2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.132 5.202 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.012 5.809 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.984 3.121 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.958 3.756 -3.101 1.00 0.00 H new ATOM 1097 N LYS A 76 -13.190 5.527 -3.446 1.00 0.00 N ATOM 1098 CA LYS A 76 -14.478 5.293 -4.076 1.00 0.00 C ATOM 1099 C LYS A 76 -15.151 4.086 -3.418 1.00 0.00 C ATOM 1100 O LYS A 76 -14.495 3.086 -3.130 1.00 0.00 O ATOM 1101 CB LYS A 76 -14.317 5.156 -5.591 1.00 0.00 C ATOM 1102 CG LYS A 76 -14.044 6.516 -6.239 1.00 0.00 C ATOM 1103 CD LYS A 76 -12.631 6.573 -6.820 1.00 0.00 C ATOM 1104 CE LYS A 76 -12.362 7.929 -7.476 1.00 0.00 C ATOM 1105 NZ LYS A 76 -11.833 8.889 -6.481 1.00 0.00 N ATOM 0 H LYS A 76 -13.122 6.402 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.137 6.148 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.497 4.472 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.220 4.720 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.773 6.700 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.169 7.307 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.902 6.396 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.504 5.778 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.648 7.810 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.282 8.318 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.656 9.804 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.527 9.015 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.944 8.523 -6.084 1.00 0.00 H new ATOM 1119 N VAL A 77 -16.451 4.220 -3.200 1.00 0.00 N ATOM 1120 CA VAL A 77 -17.220 3.153 -2.581 1.00 0.00 C ATOM 1121 C VAL A 77 -18.358 2.743 -3.517 1.00 0.00 C ATOM 1122 O VAL A 77 -18.456 1.581 -3.909 1.00 0.00 O ATOM 1123 CB VAL A 77 -17.710 3.594 -1.201 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -18.860 2.708 -0.719 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -16.562 3.603 -0.189 1.00 0.00 C ATOM 0 H VAL A 77 -16.991 5.051 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.596 2.274 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 77 -18.087 4.613 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.190 3.043 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -19.690 2.775 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.521 1.674 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -16.937 3.920 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -16.142 2.601 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.788 4.295 -0.523 1.00 0.00 H new ATOM 1135 N THR A 78 -19.191 3.719 -3.848 1.00 0.00 N ATOM 1136 CA THR A 78 -20.319 3.473 -4.730 1.00 0.00 C ATOM 1137 C THR A 78 -19.841 3.310 -6.174 1.00 0.00 C ATOM 1138 O THR A 78 -19.887 2.212 -6.726 1.00 0.00 O ATOM 1139 CB THR A 78 -21.320 4.616 -4.547 1.00 0.00 C ATOM 1140 OG1 THR A 78 -21.908 4.362 -3.274 1.00 0.00 O ATOM 1141 CG2 THR A 78 -22.494 4.528 -5.524 1.00 0.00 C ATOM 0 H THR A 78 -19.107 4.682 -3.521 1.00 0.00 H new ATOM 0 HA THR A 78 -20.821 2.538 -4.479 1.00 0.00 H new ATOM 0 HB THR A 78 -20.809 5.570 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 78 -22.569 5.057 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 78 -23.174 5.362 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 78 -22.120 4.570 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 78 -23.026 3.589 -5.370 1.00 0.00 H new ATOM 1149 N SER A 79 -19.394 4.419 -6.745 1.00 0.00 N ATOM 1150 CA SER A 79 -18.908 4.412 -8.114 1.00 0.00 C ATOM 1151 C SER A 79 -17.752 5.403 -8.264 1.00 0.00 C ATOM 1152 O SER A 79 -17.534 6.244 -7.393 1.00 0.00 O ATOM 1153 CB SER A 79 -20.029 4.751 -9.098 1.00 0.00 C ATOM 1154 OG SER A 79 -20.095 3.820 -10.175 1.00 0.00 O ATOM 0 H SER A 79 -19.358 5.328 -6.284 1.00 0.00 H new ATOM 0 HA SER A 79 -18.550 3.409 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.983 4.763 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.872 5.754 -9.495 1.00 0.00 H new ATOM 0 HG SER A 79 -20.824 4.071 -10.780 1.00 0.00 H new ATOM 1160 N GLY A 80 -17.043 5.272 -9.375 1.00 0.00 N ATOM 1161 CA GLY A 80 -15.915 6.146 -9.650 1.00 0.00 C ATOM 1162 C GLY A 80 -15.300 5.835 -11.016 1.00 0.00 C ATOM 1163 O GLY A 80 -15.486 4.742 -11.550 1.00 0.00 O ATOM 0 H GLY A 80 -17.227 4.574 -10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.241 7.186 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.161 6.028 -8.872 1.00 0.00 H new ATOM 1167 N PRO A 81 -14.562 6.841 -11.557 1.00 0.00 N ATOM 1168 CA PRO A 81 -13.920 6.685 -12.851 1.00 0.00 C ATOM 1169 C PRO A 81 -12.684 5.789 -12.745 1.00 0.00 C ATOM 1170 O PRO A 81 -11.695 6.161 -12.115 1.00 0.00 O ATOM 1171 CB PRO A 81 -13.591 8.100 -13.300 1.00 0.00 C ATOM 1172 CG PRO A 81 -13.638 8.956 -12.045 1.00 0.00 C ATOM 1173 CD PRO A 81 -14.321 8.148 -10.954 1.00 0.00 C ATOM 0 HA PRO A 81 -14.559 6.188 -13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.606 8.143 -13.766 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.309 8.452 -14.040 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.631 9.238 -11.737 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.184 9.880 -12.234 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.690 8.065 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.253 8.617 -10.639 1.00 0.00 H new ATOM 1181 N SER A 82 -12.781 4.626 -13.372 1.00 0.00 N ATOM 1182 CA SER A 82 -11.683 3.673 -13.356 1.00 0.00 C ATOM 1183 C SER A 82 -11.014 3.623 -14.731 1.00 0.00 C ATOM 1184 O SER A 82 -9.812 3.853 -14.849 1.00 0.00 O ATOM 1185 CB SER A 82 -12.168 2.280 -12.950 1.00 0.00 C ATOM 1186 OG SER A 82 -11.879 1.991 -11.585 1.00 0.00 O ATOM 0 H SER A 82 -13.603 4.322 -13.894 1.00 0.00 H new ATOM 0 HA SER A 82 -10.954 4.003 -12.616 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.243 2.208 -13.116 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.696 1.532 -13.587 1.00 0.00 H new ATOM 0 HG SER A 82 -12.206 1.094 -11.364 1.00 0.00 H new ATOM 1192 N SER A 83 -11.823 3.320 -15.736 1.00 0.00 N ATOM 1193 CA SER A 83 -11.324 3.236 -17.099 1.00 0.00 C ATOM 1194 C SER A 83 -10.349 2.065 -17.228 1.00 0.00 C ATOM 1195 O SER A 83 -9.465 1.893 -16.389 1.00 0.00 O ATOM 1196 CB SER A 83 -10.645 4.542 -17.518 1.00 0.00 C ATOM 1197 OG SER A 83 -11.205 5.074 -18.715 1.00 0.00 O ATOM 0 H SER A 83 -12.820 3.130 -15.634 1.00 0.00 H new ATOM 0 HA SER A 83 -12.171 3.069 -17.764 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.741 5.274 -16.716 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.579 4.366 -17.663 1.00 0.00 H new ATOM 0 HG SER A 83 -10.746 5.908 -18.948 1.00 0.00 H new ATOM 1203 N GLY A 84 -10.541 1.290 -18.285 1.00 0.00 N ATOM 1204 CA GLY A 84 -9.689 0.140 -18.534 1.00 0.00 C ATOM 1205 C GLY A 84 -10.524 -1.121 -18.769 1.00 0.00 C ATOM 1206 O GLY A 84 -10.205 -1.928 -19.641 1.00 0.00 O ATOM 0 H GLY A 84 -11.274 1.436 -18.979 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.060 0.331 -19.403 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.023 -0.014 -17.685 1.00 0.00 H new TER 1210 GLY A 84