USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 678 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 75 THR OG1 : rot -83:sc= 0.781 USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= -0.293 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 SER OG : rot -30:sc= 1.02 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.81 K(o=-4.8,f=-12!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00938 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 136:sc= -4.59! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0253 F(o=-1.6,f=-0.025) USER MOD Single : A 46 ASN : amide:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.212 USER MOD Single : A 51 THR OG1 : rot -126:sc= -3.07! USER MOD Single : A 52 SER OG : rot 41:sc= 0.291 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 172:sc= 0.344 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 62 SER OG : rot -24:sc= -0.239! USER MOD Single : A 64 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 11:sc= -0.0538 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 74 SER OG : rot -45:sc= -0.341! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -24:sc= 0.685 USER MOD Single : A 92 ASN : amide:sc= -3.07! C(o=-3.1!,f=-7.1!) USER MOD Single : A 97 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.4!) USER MOD Single : A 98 SER OG : rot 59:sc= 0.00918 USER MOD Single : A 104 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 21:sc= 0.382 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 -14.624 -6.652 1.859 1.00 0.00 N ATOM 14 CA PRO A 2 -14.144 -7.429 0.695 1.00 0.00 C ATOM 15 C PRO A 2 -12.701 -7.893 0.926 1.00 0.00 C ATOM 16 O PRO A 2 -12.186 -7.820 2.024 1.00 0.00 O ATOM 17 CB PRO A 2 -14.221 -6.436 -0.459 1.00 0.00 C ATOM 18 CG PRO A 2 -14.137 -5.086 0.186 1.00 0.00 C ATOM 19 CD PRO A 2 -14.741 -5.223 1.564 1.00 0.00 C ATOM 0 HA PRO A 2 -14.728 -8.330 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.405 -6.588 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.151 -6.550 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.102 -4.751 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.677 -4.343 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.206 -4.619 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.781 -4.896 1.579 1.00 0.00 H new ATOM 27 N ALA A 3 -12.044 -8.367 -0.099 1.00 0.00 N ATOM 28 CA ALA A 3 -10.636 -8.831 0.073 1.00 0.00 C ATOM 29 C ALA A 3 -9.901 -8.840 -1.274 1.00 0.00 C ATOM 30 O ALA A 3 -10.457 -8.511 -2.302 1.00 0.00 O ATOM 31 CB ALA A 3 -10.755 -10.251 0.625 1.00 0.00 C ATOM 0 H ALA A 3 -12.419 -8.453 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.068 -8.177 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.759 -10.666 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.291 -10.229 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.300 -10.873 -0.085 1.00 0.00 H new ATOM 37 N PHE A 4 -8.653 -9.219 -1.265 1.00 0.00 N ATOM 38 CA PHE A 4 -7.860 -9.259 -2.533 1.00 0.00 C ATOM 39 C PHE A 4 -6.788 -10.349 -2.423 1.00 0.00 C ATOM 40 O PHE A 4 -6.088 -10.435 -1.434 1.00 0.00 O ATOM 41 CB PHE A 4 -7.220 -7.871 -2.630 1.00 0.00 C ATOM 42 CG PHE A 4 -6.293 -7.818 -3.820 1.00 0.00 C ATOM 43 CD1 PHE A 4 -6.815 -7.871 -5.117 1.00 0.00 C ATOM 44 CD2 PHE A 4 -4.910 -7.711 -3.625 1.00 0.00 C ATOM 45 CE1 PHE A 4 -5.954 -7.817 -6.221 1.00 0.00 C ATOM 46 CE2 PHE A 4 -4.050 -7.657 -4.728 1.00 0.00 C ATOM 47 CZ PHE A 4 -4.571 -7.710 -6.026 1.00 0.00 C ATOM 0 H PHE A 4 -8.142 -9.505 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.463 -9.487 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.994 -7.109 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.667 -7.651 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.881 -7.954 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.507 -7.670 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.357 -7.858 -7.222 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.984 -7.574 -4.577 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.907 -7.668 -6.877 1.00 0.00 H new ATOM 57 N SER A 5 -6.642 -11.185 -3.423 1.00 0.00 N ATOM 58 CA SER A 5 -5.601 -12.257 -3.331 1.00 0.00 C ATOM 59 C SER A 5 -4.895 -12.473 -4.674 1.00 0.00 C ATOM 60 O SER A 5 -5.406 -12.142 -5.724 1.00 0.00 O ATOM 61 CB SER A 5 -6.368 -13.513 -2.926 1.00 0.00 C ATOM 62 OG SER A 5 -7.120 -13.986 -4.038 1.00 0.00 O ATOM 0 H SER A 5 -7.188 -11.173 -4.285 1.00 0.00 H new ATOM 0 HA SER A 5 -4.819 -11.994 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.674 -14.283 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.032 -13.293 -2.090 1.00 0.00 H new ATOM 0 HG SER A 5 -7.612 -14.793 -3.780 1.00 0.00 H new ATOM 68 N VAL A 6 -3.713 -13.033 -4.632 1.00 0.00 N ATOM 69 CA VAL A 6 -2.941 -13.289 -5.882 1.00 0.00 C ATOM 70 C VAL A 6 -2.418 -14.732 -5.872 1.00 0.00 C ATOM 71 O VAL A 6 -2.280 -15.334 -4.827 1.00 0.00 O ATOM 72 CB VAL A 6 -1.779 -12.303 -5.819 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.868 -12.666 -4.644 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.976 -12.365 -7.118 1.00 0.00 C ATOM 0 H VAL A 6 -3.246 -13.327 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.538 -13.165 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.170 -11.295 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.037 -11.962 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.436 -12.619 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.481 -13.676 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.147 -11.659 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.586 -13.373 -7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.622 -12.107 -7.958 1.00 0.00 H new ATOM 84 N SER A 7 -2.126 -15.300 -7.015 1.00 0.00 N ATOM 85 CA SER A 7 -1.616 -16.701 -7.017 1.00 0.00 C ATOM 86 C SER A 7 -0.221 -16.747 -6.365 1.00 0.00 C ATOM 87 O SER A 7 -0.047 -17.386 -5.345 1.00 0.00 O ATOM 88 CB SER A 7 -1.568 -17.131 -8.482 1.00 0.00 C ATOM 89 OG SER A 7 -2.610 -18.068 -8.732 1.00 0.00 O ATOM 0 H SER A 7 -2.217 -14.862 -7.931 1.00 0.00 H new ATOM 0 HA SER A 7 -2.254 -17.374 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.680 -16.263 -9.132 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.600 -17.577 -8.710 1.00 0.00 H new ATOM 0 HG SER A 7 -2.583 -18.344 -9.672 1.00 0.00 H new ATOM 95 N PRO A 8 0.742 -16.068 -6.965 1.00 0.00 N ATOM 96 CA PRO A 8 2.100 -16.058 -6.406 1.00 0.00 C ATOM 97 C PRO A 8 2.226 -14.916 -5.394 1.00 0.00 C ATOM 98 O PRO A 8 1.311 -14.137 -5.211 1.00 0.00 O ATOM 99 CB PRO A 8 2.984 -15.786 -7.605 1.00 0.00 C ATOM 100 CG PRO A 8 2.114 -15.044 -8.586 1.00 0.00 C ATOM 101 CD PRO A 8 0.663 -15.284 -8.203 1.00 0.00 C ATOM 0 HA PRO A 8 2.360 -16.983 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.854 -15.192 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.358 -16.715 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.342 -13.978 -8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.303 -15.392 -9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.132 -14.345 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.129 -15.826 -8.984 1.00 0.00 H new ATOM 109 N ALA A 9 3.347 -14.800 -4.742 1.00 0.00 N ATOM 110 CA ALA A 9 3.512 -13.701 -3.747 1.00 0.00 C ATOM 111 C ALA A 9 4.912 -13.747 -3.125 1.00 0.00 C ATOM 112 O ALA A 9 5.110 -13.365 -1.989 1.00 0.00 O ATOM 113 CB ALA A 9 2.439 -13.956 -2.692 1.00 0.00 C ATOM 0 H ALA A 9 4.154 -15.414 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 9 3.407 -12.716 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.496 -13.187 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.455 -13.929 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.599 -14.935 -2.239 1.00 0.00 H new ATOM 119 N SER A 10 5.882 -14.212 -3.862 1.00 0.00 N ATOM 120 CA SER A 10 7.272 -14.285 -3.320 1.00 0.00 C ATOM 121 C SER A 10 8.215 -14.854 -4.381 1.00 0.00 C ATOM 122 O SER A 10 7.801 -15.567 -5.273 1.00 0.00 O ATOM 123 CB SER A 10 7.187 -15.222 -2.118 1.00 0.00 C ATOM 124 OG SER A 10 8.476 -15.349 -1.530 1.00 0.00 O ATOM 0 H SER A 10 5.774 -14.546 -4.820 1.00 0.00 H new ATOM 0 HA SER A 10 7.658 -13.305 -3.039 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.478 -14.832 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.819 -16.199 -2.429 1.00 0.00 H new ATOM 0 HG SER A 10 8.425 -15.949 -0.757 1.00 0.00 H new ATOM 130 N GLY A 11 9.481 -14.550 -4.292 1.00 0.00 N ATOM 131 CA GLY A 11 10.442 -15.077 -5.301 1.00 0.00 C ATOM 132 C GLY A 11 9.919 -14.765 -6.702 1.00 0.00 C ATOM 133 O GLY A 11 9.838 -15.626 -7.554 1.00 0.00 O ATOM 0 H GLY A 11 9.890 -13.961 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.423 -14.625 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.565 -16.153 -5.177 1.00 0.00 H new ATOM 137 N LEU A 12 9.567 -13.534 -6.944 1.00 0.00 N ATOM 138 CA LEU A 12 9.046 -13.151 -8.285 1.00 0.00 C ATOM 139 C LEU A 12 10.184 -12.705 -9.193 1.00 0.00 C ATOM 140 O LEU A 12 11.305 -13.160 -9.079 1.00 0.00 O ATOM 141 CB LEU A 12 8.103 -11.986 -8.021 1.00 0.00 C ATOM 142 CG LEU A 12 7.079 -12.395 -6.971 1.00 0.00 C ATOM 143 CD1 LEU A 12 6.258 -11.177 -6.568 1.00 0.00 C ATOM 144 CD2 LEU A 12 6.157 -13.463 -7.554 1.00 0.00 C ATOM 0 H LEU A 12 9.618 -12.773 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 12 8.549 -13.984 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.666 -11.118 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.599 -11.695 -8.943 1.00 0.00 H new ATOM 0 HG LEU A 12 7.590 -12.795 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.524 -11.466 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.918 -10.413 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.744 -10.779 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.423 -13.758 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.643 -13.062 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.746 -14.332 -7.846 1.00 0.00 H new ATOM 156 N SER A 13 9.903 -11.814 -10.095 1.00 0.00 N ATOM 157 CA SER A 13 10.963 -11.325 -11.021 1.00 0.00 C ATOM 158 C SER A 13 10.452 -10.128 -11.825 1.00 0.00 C ATOM 159 O SER A 13 9.274 -10.010 -12.100 1.00 0.00 O ATOM 160 CB SER A 13 11.255 -12.502 -11.942 1.00 0.00 C ATOM 161 OG SER A 13 11.846 -12.023 -13.145 1.00 0.00 O ATOM 0 H SER A 13 8.982 -11.399 -10.234 1.00 0.00 H new ATOM 0 HA SER A 13 11.855 -10.992 -10.490 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.925 -13.206 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.334 -13.041 -12.165 1.00 0.00 H new ATOM 0 HG SER A 13 12.037 -12.779 -13.739 1.00 0.00 H new ATOM 167 N ASP A 14 11.329 -9.240 -12.203 1.00 0.00 N ATOM 168 CA ASP A 14 10.891 -8.052 -12.989 1.00 0.00 C ATOM 169 C ASP A 14 10.267 -8.497 -14.311 1.00 0.00 C ATOM 170 O ASP A 14 10.817 -9.310 -15.027 1.00 0.00 O ATOM 171 CB ASP A 14 12.163 -7.245 -13.239 1.00 0.00 C ATOM 172 CG ASP A 14 13.262 -8.172 -13.759 1.00 0.00 C ATOM 173 OD1 ASP A 14 12.967 -9.331 -14.004 1.00 0.00 O ATOM 174 OD2 ASP A 14 14.381 -7.707 -13.904 1.00 0.00 O ATOM 0 H ASP A 14 12.328 -9.285 -12.002 1.00 0.00 H new ATOM 0 HA ASP A 14 10.138 -7.465 -12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.968 -6.454 -13.963 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.487 -6.761 -12.317 1.00 0.00 H new ATOM 179 N GLY A 15 9.121 -7.972 -14.641 1.00 0.00 N ATOM 180 CA GLY A 15 8.463 -8.364 -15.916 1.00 0.00 C ATOM 181 C GLY A 15 7.551 -9.560 -15.665 1.00 0.00 C ATOM 182 O GLY A 15 6.582 -9.774 -16.366 1.00 0.00 O ATOM 0 H GLY A 15 8.612 -7.288 -14.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.886 -7.529 -16.313 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.215 -8.616 -16.664 1.00 0.00 H new ATOM 186 N GLN A 16 7.852 -10.341 -14.668 1.00 0.00 N ATOM 187 CA GLN A 16 7.006 -11.529 -14.364 1.00 0.00 C ATOM 188 C GLN A 16 5.553 -11.104 -14.140 1.00 0.00 C ATOM 189 O GLN A 16 5.276 -10.112 -13.491 1.00 0.00 O ATOM 190 CB GLN A 16 7.596 -12.121 -13.085 1.00 0.00 C ATOM 191 CG GLN A 16 6.955 -13.482 -12.810 1.00 0.00 C ATOM 192 CD GLN A 16 6.519 -13.552 -11.353 1.00 0.00 C ATOM 193 OE1 GLN A 16 7.313 -13.351 -10.457 1.00 0.00 O ATOM 194 NE2 GLN A 16 5.280 -13.833 -11.077 1.00 0.00 N ATOM 0 H GLN A 16 8.650 -10.208 -14.047 1.00 0.00 H new ATOM 0 HA GLN A 16 7.001 -12.250 -15.181 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.676 -12.230 -13.186 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.421 -11.448 -12.246 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.097 -13.631 -13.465 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.664 -14.281 -13.027 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.615 -14.001 -11.832 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.973 -13.885 -10.106 1.00 0.00 H new ATOM 203 N SER A 17 4.622 -11.848 -14.675 1.00 0.00 N ATOM 204 CA SER A 17 3.190 -11.491 -14.496 1.00 0.00 C ATOM 205 C SER A 17 2.513 -12.491 -13.555 1.00 0.00 C ATOM 206 O SER A 17 2.777 -13.676 -13.596 1.00 0.00 O ATOM 207 CB SER A 17 2.585 -11.581 -15.890 1.00 0.00 C ATOM 208 OG SER A 17 2.851 -12.867 -16.435 1.00 0.00 O ATOM 0 H SER A 17 4.794 -12.688 -15.228 1.00 0.00 H new ATOM 0 HA SER A 17 3.062 -10.501 -14.058 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.510 -11.408 -15.844 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.005 -10.807 -16.532 1.00 0.00 H new ATOM 0 HG SER A 17 2.461 -12.929 -17.332 1.00 0.00 H new ATOM 214 N VAL A 18 1.646 -12.021 -12.709 1.00 0.00 N ATOM 215 CA VAL A 18 0.950 -12.938 -11.763 1.00 0.00 C ATOM 216 C VAL A 18 -0.561 -12.927 -12.028 1.00 0.00 C ATOM 217 O VAL A 18 -1.088 -12.008 -12.624 1.00 0.00 O ATOM 218 CB VAL A 18 1.256 -12.367 -10.382 1.00 0.00 C ATOM 219 CG1 VAL A 18 2.767 -12.370 -10.153 1.00 0.00 C ATOM 220 CG2 VAL A 18 0.734 -10.932 -10.300 1.00 0.00 C ATOM 0 H VAL A 18 1.386 -11.038 -12.629 1.00 0.00 H new ATOM 0 HA VAL A 18 1.279 -13.972 -11.864 1.00 0.00 H new ATOM 0 HB VAL A 18 0.771 -12.977 -9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.986 -11.962 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.142 -13.391 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.252 -11.759 -10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.951 -10.522 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.221 -10.323 -11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.343 -10.927 -10.466 1.00 0.00 H new ATOM 230 N SER A 19 -1.260 -13.940 -11.590 1.00 0.00 N ATOM 231 CA SER A 19 -2.735 -13.982 -11.819 1.00 0.00 C ATOM 232 C SER A 19 -3.458 -13.441 -10.587 1.00 0.00 C ATOM 233 O SER A 19 -3.630 -14.132 -9.603 1.00 0.00 O ATOM 234 CB SER A 19 -3.063 -15.458 -12.032 1.00 0.00 C ATOM 235 OG SER A 19 -2.944 -15.770 -13.415 1.00 0.00 O ATOM 0 H SER A 19 -0.875 -14.738 -11.085 1.00 0.00 H new ATOM 0 HA SER A 19 -3.046 -13.376 -12.670 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.386 -16.081 -11.447 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.074 -15.672 -11.685 1.00 0.00 H new ATOM 0 HG SER A 19 -3.152 -16.717 -13.556 1.00 0.00 H new ATOM 241 N VAL A 20 -3.887 -12.211 -10.632 1.00 0.00 N ATOM 242 CA VAL A 20 -4.597 -11.632 -9.457 1.00 0.00 C ATOM 243 C VAL A 20 -6.088 -11.945 -9.518 1.00 0.00 C ATOM 244 O VAL A 20 -6.604 -12.399 -10.521 1.00 0.00 O ATOM 245 CB VAL A 20 -4.371 -10.129 -9.556 1.00 0.00 C ATOM 246 CG1 VAL A 20 -5.108 -9.433 -8.413 1.00 0.00 C ATOM 247 CG2 VAL A 20 -2.876 -9.831 -9.453 1.00 0.00 C ATOM 0 H VAL A 20 -3.778 -11.583 -11.428 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.226 -12.045 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.748 -9.764 -10.511 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.949 -8.357 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.174 -9.647 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.727 -9.798 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.714 -8.755 -9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.498 -10.193 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.348 -10.332 -10.265 1.00 0.00 H new ATOM 257 N SER A 21 -6.782 -11.700 -8.446 1.00 0.00 N ATOM 258 CA SER A 21 -8.242 -11.975 -8.417 1.00 0.00 C ATOM 259 C SER A 21 -8.869 -11.302 -7.194 1.00 0.00 C ATOM 260 O SER A 21 -8.617 -11.681 -6.063 1.00 0.00 O ATOM 261 CB SER A 21 -8.360 -13.495 -8.320 1.00 0.00 C ATOM 262 OG SER A 21 -8.529 -13.870 -6.958 1.00 0.00 O ATOM 0 H SER A 21 -6.398 -11.318 -7.582 1.00 0.00 H new ATOM 0 HA SER A 21 -8.759 -11.589 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.206 -13.844 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.467 -13.967 -8.731 1.00 0.00 H new ATOM 0 HG SER A 21 -8.072 -13.223 -6.381 1.00 0.00 H new ATOM 268 N VAL A 22 -9.674 -10.296 -7.410 1.00 0.00 N ATOM 269 CA VAL A 22 -10.315 -9.599 -6.267 1.00 0.00 C ATOM 270 C VAL A 22 -11.727 -10.151 -6.040 1.00 0.00 C ATOM 271 O VAL A 22 -12.308 -10.770 -6.910 1.00 0.00 O ATOM 272 CB VAL A 22 -10.375 -8.130 -6.688 1.00 0.00 C ATOM 273 CG1 VAL A 22 -10.660 -7.257 -5.466 1.00 0.00 C ATOM 274 CG2 VAL A 22 -9.033 -7.717 -7.303 1.00 0.00 C ATOM 0 H VAL A 22 -9.913 -9.929 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.766 -9.735 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.169 -7.999 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.702 -6.211 -5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.615 -7.547 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.867 -7.390 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.077 -6.670 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.239 -7.851 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.827 -8.336 -8.176 1.00 0.00 H new ATOM 284 N SER A 23 -12.281 -9.936 -4.880 1.00 0.00 N ATOM 285 CA SER A 23 -13.655 -10.452 -4.602 1.00 0.00 C ATOM 286 C SER A 23 -14.278 -9.689 -3.430 1.00 0.00 C ATOM 287 O SER A 23 -13.593 -9.247 -2.533 1.00 0.00 O ATOM 288 CB SER A 23 -13.462 -11.920 -4.238 1.00 0.00 C ATOM 289 OG SER A 23 -12.383 -12.039 -3.318 1.00 0.00 O ATOM 0 H SER A 23 -11.845 -9.426 -4.112 1.00 0.00 H new ATOM 0 HA SER A 23 -14.322 -10.328 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.375 -12.321 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.257 -12.505 -5.135 1.00 0.00 H new ATOM 0 HG SER A 23 -12.258 -12.982 -3.081 1.00 0.00 H new ATOM 295 N GLY A 24 -15.575 -9.531 -3.432 1.00 0.00 N ATOM 296 CA GLY A 24 -16.238 -8.797 -2.317 1.00 0.00 C ATOM 297 C GLY A 24 -16.854 -7.500 -2.847 1.00 0.00 C ATOM 298 O GLY A 24 -17.930 -7.106 -2.446 1.00 0.00 O ATOM 0 H GLY A 24 -16.203 -9.878 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.011 -9.420 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.513 -8.573 -1.534 1.00 0.00 H new ATOM 302 N ALA A 25 -16.182 -6.835 -3.747 1.00 0.00 N ATOM 303 CA ALA A 25 -16.730 -5.564 -4.303 1.00 0.00 C ATOM 304 C ALA A 25 -18.082 -5.826 -4.986 1.00 0.00 C ATOM 305 O ALA A 25 -18.857 -6.649 -4.540 1.00 0.00 O ATOM 306 CB ALA A 25 -15.688 -5.097 -5.317 1.00 0.00 C ATOM 0 H ALA A 25 -15.276 -7.117 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.908 -4.814 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.017 -4.163 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.735 -4.938 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.567 -5.856 -6.090 1.00 0.00 H new ATOM 312 N ALA A 26 -18.380 -5.134 -6.060 1.00 0.00 N ATOM 313 CA ALA A 26 -19.689 -5.369 -6.744 1.00 0.00 C ATOM 314 C ALA A 26 -19.637 -4.934 -8.206 1.00 0.00 C ATOM 315 O ALA A 26 -19.091 -3.904 -8.547 1.00 0.00 O ATOM 316 CB ALA A 26 -20.697 -4.524 -5.969 1.00 0.00 C ATOM 0 H ALA A 26 -17.782 -4.426 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 26 -19.954 -6.426 -6.752 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -21.687 -4.642 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.722 -4.850 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -20.403 -3.475 -6.013 1.00 0.00 H new ATOM 322 N ALA A 27 -20.213 -5.723 -9.069 1.00 0.00 N ATOM 323 CA ALA A 27 -20.216 -5.384 -10.514 1.00 0.00 C ATOM 324 C ALA A 27 -20.701 -3.953 -10.725 1.00 0.00 C ATOM 325 O ALA A 27 -21.572 -3.470 -10.029 1.00 0.00 O ATOM 326 CB ALA A 27 -21.195 -6.372 -11.146 1.00 0.00 C ATOM 0 H ALA A 27 -20.685 -6.595 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 27 -19.220 -5.449 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -21.256 -6.188 -12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.848 -7.390 -10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -22.181 -6.243 -10.699 1.00 0.00 H new ATOM 332 N GLY A 28 -20.143 -3.274 -11.674 1.00 0.00 N ATOM 333 CA GLY A 28 -20.564 -1.874 -11.937 1.00 0.00 C ATOM 334 C GLY A 28 -19.548 -0.911 -11.331 1.00 0.00 C ATOM 335 O GLY A 28 -19.799 0.270 -11.205 1.00 0.00 O ATOM 0 H GLY A 28 -19.407 -3.627 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.646 -1.704 -13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.550 -1.694 -11.510 1.00 0.00 H new ATOM 339 N GLU A 29 -18.400 -1.404 -10.953 1.00 0.00 N ATOM 340 CA GLU A 29 -17.370 -0.506 -10.356 1.00 0.00 C ATOM 341 C GLU A 29 -15.983 -0.862 -10.890 1.00 0.00 C ATOM 342 O GLU A 29 -15.678 -2.012 -11.140 1.00 0.00 O ATOM 343 CB GLU A 29 -17.448 -0.760 -8.853 1.00 0.00 C ATOM 344 CG GLU A 29 -18.759 -0.190 -8.308 1.00 0.00 C ATOM 345 CD GLU A 29 -19.157 -0.944 -7.039 1.00 0.00 C ATOM 346 OE1 GLU A 29 -18.586 -1.993 -6.793 1.00 0.00 O ATOM 347 OE2 GLU A 29 -20.028 -0.460 -6.334 1.00 0.00 O ATOM 0 H GLU A 29 -18.131 -2.385 -11.031 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.543 0.542 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.392 -1.830 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.600 -0.295 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.643 0.872 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.545 -0.278 -9.058 1.00 0.00 H new ATOM 354 N THR A 30 -15.138 0.116 -11.067 1.00 0.00 N ATOM 355 CA THR A 30 -13.768 -0.164 -11.585 1.00 0.00 C ATOM 356 C THR A 30 -12.772 -0.263 -10.425 1.00 0.00 C ATOM 357 O THR A 30 -13.106 -0.011 -9.284 1.00 0.00 O ATOM 358 CB THR A 30 -13.429 1.026 -12.483 1.00 0.00 C ATOM 359 OG1 THR A 30 -14.586 1.409 -13.215 1.00 0.00 O ATOM 360 CG2 THR A 30 -12.315 0.635 -13.454 1.00 0.00 C ATOM 0 H THR A 30 -15.337 1.098 -10.875 1.00 0.00 H new ATOM 0 HA THR A 30 -13.719 -1.109 -12.127 1.00 0.00 H new ATOM 0 HB THR A 30 -13.094 1.861 -11.868 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.371 2.173 -13.790 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.075 1.485 -14.093 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.428 0.342 -12.892 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.646 -0.201 -14.070 1.00 0.00 H new ATOM 368 N TYR A 31 -11.553 -0.628 -10.708 1.00 0.00 N ATOM 369 CA TYR A 31 -10.533 -0.744 -9.623 1.00 0.00 C ATOM 370 C TYR A 31 -9.123 -0.628 -10.211 1.00 0.00 C ATOM 371 O TYR A 31 -8.734 -1.393 -11.072 1.00 0.00 O ATOM 372 CB TYR A 31 -10.757 -2.129 -9.016 1.00 0.00 C ATOM 373 CG TYR A 31 -12.059 -2.131 -8.251 1.00 0.00 C ATOM 374 CD1 TYR A 31 -12.220 -1.286 -7.146 1.00 0.00 C ATOM 375 CD2 TYR A 31 -13.106 -2.972 -8.648 1.00 0.00 C ATOM 376 CE1 TYR A 31 -13.428 -1.283 -6.438 1.00 0.00 C ATOM 377 CE2 TYR A 31 -14.315 -2.968 -7.940 1.00 0.00 C ATOM 378 CZ TYR A 31 -14.474 -2.123 -6.834 1.00 0.00 C ATOM 379 OH TYR A 31 -15.666 -2.118 -6.138 1.00 0.00 O ATOM 0 H TYR A 31 -11.216 -0.852 -11.644 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.628 0.044 -8.876 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.782 -2.884 -9.802 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.931 -2.386 -8.353 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.413 -0.637 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.981 -3.624 -9.500 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.552 -0.632 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.123 -3.615 -8.246 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.414 -2.111 -6.771 1.00 0.00 H new ATOM 389 N TYR A 32 -8.356 0.322 -9.751 1.00 0.00 N ATOM 390 CA TYR A 32 -6.973 0.486 -10.283 1.00 0.00 C ATOM 391 C TYR A 32 -5.973 -0.247 -9.383 1.00 0.00 C ATOM 392 O TYR A 32 -5.789 0.101 -8.234 1.00 0.00 O ATOM 393 CB TYR A 32 -6.714 1.994 -10.252 1.00 0.00 C ATOM 394 CG TYR A 32 -7.647 2.695 -11.214 1.00 0.00 C ATOM 395 CD1 TYR A 32 -9.017 2.772 -10.932 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.141 3.272 -12.387 1.00 0.00 C ATOM 397 CE1 TYR A 32 -9.880 3.424 -11.823 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.005 3.924 -13.276 1.00 0.00 C ATOM 399 CZ TYR A 32 -9.375 3.999 -12.994 1.00 0.00 C ATOM 400 OH TYR A 32 -10.226 4.642 -13.872 1.00 0.00 O ATOM 0 H TYR A 32 -8.627 0.991 -9.030 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.863 0.073 -11.286 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.863 2.377 -9.242 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.678 2.200 -10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.408 2.329 -10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.085 3.214 -12.605 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.936 3.483 -11.605 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.615 4.369 -14.179 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.713 4.985 -14.633 1.00 0.00 H new ATOM 410 N ILE A 33 -5.328 -1.257 -9.896 1.00 0.00 N ATOM 411 CA ILE A 33 -4.342 -2.008 -9.065 1.00 0.00 C ATOM 412 C ILE A 33 -2.932 -1.462 -9.303 1.00 0.00 C ATOM 413 O ILE A 33 -2.564 -1.139 -10.413 1.00 0.00 O ATOM 414 CB ILE A 33 -4.442 -3.456 -9.537 1.00 0.00 C ATOM 415 CG1 ILE A 33 -3.418 -4.306 -8.781 1.00 0.00 C ATOM 416 CG2 ILE A 33 -4.153 -3.527 -11.037 1.00 0.00 C ATOM 417 CD1 ILE A 33 -4.103 -5.550 -8.216 1.00 0.00 C ATOM 0 H ILE A 33 -5.439 -1.595 -10.852 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.546 -1.915 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.446 -3.833 -9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.607 -4.597 -9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.973 -3.725 -7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.225 -4.562 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.879 -2.919 -11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.149 -3.151 -11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.373 -6.155 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.898 -5.249 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.527 -6.135 -9.033 1.00 0.00 H new ATOM 429 N ALA A 34 -2.141 -1.357 -8.270 1.00 0.00 N ATOM 430 CA ALA A 34 -0.757 -0.830 -8.449 1.00 0.00 C ATOM 431 C ALA A 34 0.162 -1.348 -7.339 1.00 0.00 C ATOM 432 O ALA A 34 -0.255 -1.544 -6.214 1.00 0.00 O ATOM 433 CB ALA A 34 -0.899 0.687 -8.360 1.00 0.00 C ATOM 0 H ALA A 34 -2.391 -1.612 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.317 -1.147 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.079 1.152 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.568 1.037 -9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.310 0.958 -7.387 1.00 0.00 H new ATOM 439 N GLN A 35 1.410 -1.571 -7.649 1.00 0.00 N ATOM 440 CA GLN A 35 2.358 -2.075 -6.614 1.00 0.00 C ATOM 441 C GLN A 35 2.973 -0.895 -5.853 1.00 0.00 C ATOM 442 O GLN A 35 3.567 -0.011 -6.437 1.00 0.00 O ATOM 443 CB GLN A 35 3.432 -2.830 -7.395 1.00 0.00 C ATOM 444 CG GLN A 35 4.510 -3.326 -6.430 1.00 0.00 C ATOM 445 CD GLN A 35 5.811 -3.560 -7.196 1.00 0.00 C ATOM 446 OE1 GLN A 35 6.428 -2.626 -7.669 1.00 0.00 O ATOM 447 NE2 GLN A 35 6.258 -4.777 -7.341 1.00 0.00 N ATOM 0 H GLN A 35 1.814 -1.426 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 35 1.871 -2.713 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.987 -3.673 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.875 -2.178 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.669 -2.594 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.187 -4.250 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.740 -5.561 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.125 -4.944 -7.851 1.00 0.00 H new ATOM 456 N CYS A 36 2.837 -0.875 -4.554 1.00 0.00 N ATOM 457 CA CYS A 36 3.415 0.251 -3.760 1.00 0.00 C ATOM 458 C CYS A 36 4.457 -0.271 -2.761 1.00 0.00 C ATOM 459 O CYS A 36 4.741 -1.449 -2.701 1.00 0.00 O ATOM 460 CB CYS A 36 2.224 0.861 -3.020 1.00 0.00 C ATOM 461 SG CYS A 36 0.860 1.124 -4.183 1.00 0.00 S ATOM 0 H CYS A 36 2.352 -1.587 -4.008 1.00 0.00 H new ATOM 0 HA CYS A 36 3.925 0.978 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.906 0.200 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.513 1.807 -2.562 1.00 0.00 H new ATOM 466 N ALA A 37 5.026 0.606 -1.979 1.00 0.00 N ATOM 467 CA ALA A 37 6.050 0.178 -0.980 1.00 0.00 C ATOM 468 C ALA A 37 6.090 1.179 0.182 1.00 0.00 C ATOM 469 O ALA A 37 6.033 2.374 -0.029 1.00 0.00 O ATOM 470 CB ALA A 37 7.376 0.189 -1.741 1.00 0.00 C ATOM 0 H ALA A 37 4.825 1.606 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 37 5.835 -0.803 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.182 -0.115 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.320 -0.504 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.574 1.194 -2.113 1.00 0.00 H new ATOM 476 N PRO A 38 6.183 0.655 1.374 1.00 0.00 N ATOM 477 CA PRO A 38 6.230 1.515 2.577 1.00 0.00 C ATOM 478 C PRO A 38 7.599 2.189 2.709 1.00 0.00 C ATOM 479 O PRO A 38 8.558 1.798 2.074 1.00 0.00 O ATOM 480 CB PRO A 38 5.993 0.547 3.726 1.00 0.00 C ATOM 481 CG PRO A 38 6.434 -0.789 3.208 1.00 0.00 C ATOM 482 CD PRO A 38 6.249 -0.770 1.706 1.00 0.00 C ATOM 0 HA PRO A 38 5.497 2.322 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.564 0.836 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.943 0.530 4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.477 -0.976 3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.846 -1.589 3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.078 -1.261 1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.339 -1.291 1.410 1.00 0.00 H new ATOM 490 N VAL A 39 7.691 3.197 3.531 1.00 0.00 N ATOM 491 CA VAL A 39 8.997 3.901 3.709 1.00 0.00 C ATOM 492 C VAL A 39 9.049 4.590 5.077 1.00 0.00 C ATOM 493 O VAL A 39 8.844 5.783 5.191 1.00 0.00 O ATOM 494 CB VAL A 39 9.045 4.933 2.590 1.00 0.00 C ATOM 495 CG1 VAL A 39 10.371 5.692 2.653 1.00 0.00 C ATOM 496 CG2 VAL A 39 8.926 4.226 1.238 1.00 0.00 C ATOM 0 H VAL A 39 6.920 3.565 4.088 1.00 0.00 H new ATOM 0 HA VAL A 39 9.843 3.215 3.668 1.00 0.00 H new ATOM 0 HB VAL A 39 8.219 5.634 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.406 6.431 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.456 6.196 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.197 4.991 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.960 4.964 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.752 3.524 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.981 3.685 1.192 1.00 0.00 H new ATOM 506 N GLY A 40 9.319 3.848 6.119 1.00 0.00 N ATOM 507 CA GLY A 40 9.384 4.460 7.478 1.00 0.00 C ATOM 508 C GLY A 40 7.975 4.541 8.073 1.00 0.00 C ATOM 509 O GLY A 40 7.802 4.780 9.252 1.00 0.00 O ATOM 0 H GLY A 40 9.497 2.844 6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.029 3.866 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.822 5.456 7.419 1.00 0.00 H new ATOM 513 N GLY A 41 6.969 4.342 7.267 1.00 0.00 N ATOM 514 CA GLY A 41 5.573 4.409 7.784 1.00 0.00 C ATOM 515 C GLY A 41 4.660 4.964 6.694 1.00 0.00 C ATOM 516 O GLY A 41 3.527 4.550 6.547 1.00 0.00 O ATOM 0 H GLY A 41 7.053 4.136 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.237 3.417 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.530 5.044 8.669 1.00 0.00 H new ATOM 520 N GLN A 42 5.144 5.901 5.926 1.00 0.00 N ATOM 521 CA GLN A 42 4.304 6.486 4.842 1.00 0.00 C ATOM 522 C GLN A 42 4.153 5.484 3.693 1.00 0.00 C ATOM 523 O GLN A 42 4.818 4.466 3.654 1.00 0.00 O ATOM 524 CB GLN A 42 5.068 7.724 4.376 1.00 0.00 C ATOM 525 CG GLN A 42 4.251 8.978 4.693 1.00 0.00 C ATOM 526 CD GLN A 42 4.803 9.643 5.956 1.00 0.00 C ATOM 527 OE1 GLN A 42 5.300 8.900 6.907 1.00 0.00 O flip ATOM 528 NE2 GLN A 42 4.784 10.851 6.076 1.00 0.00 N flip ATOM 0 H GLN A 42 6.085 6.287 6.002 1.00 0.00 H new ATOM 0 HA GLN A 42 3.299 6.732 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.037 7.774 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.260 7.664 3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.293 9.674 3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.203 8.715 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.396 11.431 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.157 11.286 6.920 1.00 0.00 H new ATOM 537 N ASP A 43 3.285 5.762 2.758 1.00 0.00 N ATOM 538 CA ASP A 43 3.095 4.821 1.616 1.00 0.00 C ATOM 539 C ASP A 43 3.620 5.444 0.318 1.00 0.00 C ATOM 540 O ASP A 43 3.573 6.644 0.128 1.00 0.00 O ATOM 541 CB ASP A 43 1.585 4.597 1.529 1.00 0.00 C ATOM 542 CG ASP A 43 0.878 5.937 1.310 1.00 0.00 C ATOM 543 OD1 ASP A 43 1.256 6.639 0.386 1.00 0.00 O ATOM 544 OD2 ASP A 43 -0.027 6.238 2.069 1.00 0.00 O ATOM 0 H ASP A 43 2.701 6.598 2.735 1.00 0.00 H new ATOM 0 HA ASP A 43 3.638 3.887 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.355 3.915 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.223 4.129 2.445 1.00 0.00 H new ATOM 549 N ALA A 44 4.122 4.635 -0.573 1.00 0.00 N ATOM 550 CA ALA A 44 4.650 5.173 -1.859 1.00 0.00 C ATOM 551 C ALA A 44 4.280 4.228 -3.007 1.00 0.00 C ATOM 552 O ALA A 44 4.941 3.239 -3.244 1.00 0.00 O ATOM 553 CB ALA A 44 6.166 5.225 -1.674 1.00 0.00 C ATOM 0 H ALA A 44 4.190 3.623 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 44 4.239 6.153 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.630 5.612 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.408 5.878 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.543 4.222 -1.473 1.00 0.00 H new ATOM 559 N CYS A 45 3.238 4.530 -3.728 1.00 0.00 N ATOM 560 CA CYS A 45 2.835 3.641 -4.858 1.00 0.00 C ATOM 561 C CYS A 45 3.672 3.944 -6.101 1.00 0.00 C ATOM 562 O CYS A 45 4.293 4.984 -6.209 1.00 0.00 O ATOM 563 CB CYS A 45 1.364 3.961 -5.109 1.00 0.00 C ATOM 564 SG CYS A 45 0.342 3.059 -3.917 1.00 0.00 S ATOM 0 H CYS A 45 2.648 5.350 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 45 2.989 2.587 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.192 5.033 -5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.088 3.682 -6.126 1.00 0.00 H new ATOM 569 N ASN A 46 3.694 3.040 -7.039 1.00 0.00 N ATOM 570 CA ASN A 46 4.490 3.267 -8.278 1.00 0.00 C ATOM 571 C ASN A 46 3.574 3.702 -9.430 1.00 0.00 C ATOM 572 O ASN A 46 2.647 3.001 -9.784 1.00 0.00 O ATOM 573 CB ASN A 46 5.126 1.910 -8.579 1.00 0.00 C ATOM 574 CG ASN A 46 6.192 2.071 -9.663 1.00 0.00 C ATOM 575 OD1 ASN A 46 6.448 3.165 -10.122 1.00 0.00 O ATOM 576 ND2 ASN A 46 6.831 1.016 -10.093 1.00 0.00 N ATOM 0 H ASN A 46 3.194 2.152 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 46 5.234 4.054 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.573 1.498 -7.674 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.363 1.204 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.545 1.111 -10.815 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.616 0.097 -9.707 1.00 0.00 H new ATOM 583 N PRO A 47 3.866 4.856 -9.976 1.00 0.00 N ATOM 584 CA PRO A 47 3.059 5.391 -11.097 1.00 0.00 C ATOM 585 C PRO A 47 3.355 4.608 -12.379 1.00 0.00 C ATOM 586 O PRO A 47 2.640 4.704 -13.356 1.00 0.00 O ATOM 587 CB PRO A 47 3.529 6.834 -11.224 1.00 0.00 C ATOM 588 CG PRO A 47 4.913 6.844 -10.649 1.00 0.00 C ATOM 589 CD PRO A 47 4.960 5.756 -9.600 1.00 0.00 C ATOM 0 HA PRO A 47 1.985 5.314 -10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.532 7.158 -12.265 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.871 7.512 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.656 6.663 -11.426 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.142 7.815 -10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.920 5.240 -9.602 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.818 6.161 -8.598 1.00 0.00 H new ATOM 597 N ALA A 48 4.406 3.836 -12.380 1.00 0.00 N ATOM 598 CA ALA A 48 4.754 3.045 -13.595 1.00 0.00 C ATOM 599 C ALA A 48 3.698 1.965 -13.847 1.00 0.00 C ATOM 600 O ALA A 48 3.063 1.935 -14.883 1.00 0.00 O ATOM 601 CB ALA A 48 6.106 2.411 -13.276 1.00 0.00 C ATOM 0 H ALA A 48 5.041 3.718 -11.590 1.00 0.00 H new ATOM 0 HA ALA A 48 4.793 3.662 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.435 1.809 -14.123 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.838 3.194 -13.082 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.011 1.776 -12.395 1.00 0.00 H new ATOM 607 N THR A 49 3.509 1.082 -12.911 1.00 0.00 N ATOM 608 CA THR A 49 2.494 0.003 -13.096 1.00 0.00 C ATOM 609 C THR A 49 1.129 0.460 -12.579 1.00 0.00 C ATOM 610 O THR A 49 0.955 0.726 -11.405 1.00 0.00 O ATOM 611 CB THR A 49 3.008 -1.173 -12.273 1.00 0.00 C ATOM 612 OG1 THR A 49 3.507 -0.697 -11.029 1.00 0.00 O ATOM 613 CG2 THR A 49 4.124 -1.884 -13.037 1.00 0.00 C ATOM 0 H THR A 49 4.012 1.057 -12.024 1.00 0.00 H new ATOM 0 HA THR A 49 2.363 -0.259 -14.146 1.00 0.00 H new ATOM 0 HB THR A 49 2.193 -1.874 -12.092 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.844 -0.105 -10.616 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.490 -2.724 -12.447 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.738 -2.249 -13.989 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.941 -1.186 -13.221 1.00 0.00 H new ATOM 621 N ALA A 50 0.160 0.553 -13.445 1.00 0.00 N ATOM 622 CA ALA A 50 -1.196 0.992 -13.007 1.00 0.00 C ATOM 623 C ALA A 50 -2.255 0.499 -13.996 1.00 0.00 C ATOM 624 O ALA A 50 -2.613 1.188 -14.929 1.00 0.00 O ATOM 625 CB ALA A 50 -1.135 2.519 -13.001 1.00 0.00 C ATOM 0 H ALA A 50 0.247 0.344 -14.439 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.465 0.592 -12.029 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.099 2.920 -12.688 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.362 2.850 -12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.901 2.878 -14.003 1.00 0.00 H new ATOM 631 N THR A 51 -2.758 -0.689 -13.801 1.00 0.00 N ATOM 632 CA THR A 51 -3.794 -1.219 -14.735 1.00 0.00 C ATOM 633 C THR A 51 -5.194 -0.971 -14.168 1.00 0.00 C ATOM 634 O THR A 51 -5.379 -0.857 -12.972 1.00 0.00 O ATOM 635 CB THR A 51 -3.514 -2.720 -14.835 1.00 0.00 C ATOM 636 OG1 THR A 51 -3.673 -3.317 -13.556 1.00 0.00 O ATOM 637 CG2 THR A 51 -2.084 -2.941 -15.329 1.00 0.00 C ATOM 0 H THR A 51 -2.498 -1.315 -13.038 1.00 0.00 H new ATOM 0 HA THR A 51 -3.755 -0.733 -15.710 1.00 0.00 H new ATOM 0 HB THR A 51 -4.213 -3.174 -15.537 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.859 -3.810 -13.322 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.885 -4.010 -15.400 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.963 -2.483 -16.311 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.383 -2.487 -14.629 1.00 0.00 H new ATOM 645 N SER A 52 -6.178 -0.886 -15.018 1.00 0.00 N ATOM 646 CA SER A 52 -7.565 -0.646 -14.532 1.00 0.00 C ATOM 647 C SER A 52 -8.467 -1.818 -14.920 1.00 0.00 C ATOM 648 O SER A 52 -8.584 -2.168 -16.078 1.00 0.00 O ATOM 649 CB SER A 52 -8.015 0.633 -15.235 1.00 0.00 C ATOM 650 OG SER A 52 -7.714 0.537 -16.623 1.00 0.00 O ATOM 0 H SER A 52 -6.082 -0.972 -16.030 1.00 0.00 H new ATOM 0 HA SER A 52 -7.614 -0.552 -13.447 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.085 0.783 -15.093 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.512 1.497 -14.801 1.00 0.00 H new ATOM 0 HG SER A 52 -7.919 -0.367 -16.941 1.00 0.00 H new ATOM 656 N PHE A 53 -9.102 -2.430 -13.961 1.00 0.00 N ATOM 657 CA PHE A 53 -9.996 -3.582 -14.277 1.00 0.00 C ATOM 658 C PHE A 53 -11.328 -3.445 -13.531 1.00 0.00 C ATOM 659 O PHE A 53 -11.373 -3.014 -12.395 1.00 0.00 O ATOM 660 CB PHE A 53 -9.238 -4.814 -13.786 1.00 0.00 C ATOM 661 CG PHE A 53 -9.174 -4.797 -12.279 1.00 0.00 C ATOM 662 CD1 PHE A 53 -8.191 -4.040 -11.628 1.00 0.00 C ATOM 663 CD2 PHE A 53 -10.098 -5.536 -11.531 1.00 0.00 C ATOM 664 CE1 PHE A 53 -8.133 -4.024 -10.231 1.00 0.00 C ATOM 665 CE2 PHE A 53 -10.039 -5.519 -10.133 1.00 0.00 C ATOM 666 CZ PHE A 53 -9.056 -4.764 -9.482 1.00 0.00 C ATOM 0 H PHE A 53 -9.042 -2.184 -12.973 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.232 -3.639 -15.340 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.735 -5.721 -14.129 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.231 -4.825 -14.203 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.478 -3.469 -12.205 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.856 -6.119 -12.033 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.375 -3.440 -9.729 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.752 -6.089 -9.556 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.010 -4.752 -8.403 1.00 0.00 H new ATOM 676 N THR A 54 -12.412 -3.802 -14.165 1.00 0.00 N ATOM 677 CA THR A 54 -13.742 -3.695 -13.494 1.00 0.00 C ATOM 678 C THR A 54 -14.159 -5.065 -12.951 1.00 0.00 C ATOM 679 O THR A 54 -13.765 -6.092 -13.470 1.00 0.00 O ATOM 680 CB THR A 54 -14.705 -3.234 -14.592 1.00 0.00 C ATOM 681 OG1 THR A 54 -14.179 -2.076 -15.225 1.00 0.00 O ATOM 682 CG2 THR A 54 -16.067 -2.906 -13.977 1.00 0.00 C ATOM 0 H THR A 54 -12.435 -4.163 -15.119 1.00 0.00 H new ATOM 0 HA THR A 54 -13.731 -3.004 -12.651 1.00 0.00 H new ATOM 0 HB THR A 54 -14.824 -4.030 -15.327 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.793 -1.781 -15.929 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.750 -2.578 -14.760 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.471 -3.795 -13.492 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.952 -2.111 -13.240 1.00 0.00 H new ATOM 690 N THR A 55 -14.948 -5.094 -11.913 1.00 0.00 N ATOM 691 CA THR A 55 -15.379 -6.406 -11.348 1.00 0.00 C ATOM 692 C THR A 55 -16.298 -7.134 -12.326 1.00 0.00 C ATOM 693 O THR A 55 -16.635 -6.628 -13.377 1.00 0.00 O ATOM 694 CB THR A 55 -16.129 -6.065 -10.066 1.00 0.00 C ATOM 695 OG1 THR A 55 -16.850 -4.854 -10.245 1.00 0.00 O ATOM 696 CG2 THR A 55 -15.131 -5.905 -8.925 1.00 0.00 C ATOM 0 H THR A 55 -15.312 -4.271 -11.433 1.00 0.00 H new ATOM 0 HA THR A 55 -14.531 -7.065 -11.161 1.00 0.00 H new ATOM 0 HB THR A 55 -16.828 -6.867 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.427 -4.699 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.665 -5.661 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.582 -6.836 -8.789 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.432 -5.103 -9.163 1.00 0.00 H new ATOM 704 N ASP A 56 -16.708 -8.320 -11.982 1.00 0.00 N ATOM 705 CA ASP A 56 -17.605 -9.092 -12.885 1.00 0.00 C ATOM 706 C ASP A 56 -19.054 -8.953 -12.419 1.00 0.00 C ATOM 707 O ASP A 56 -19.376 -8.090 -11.635 1.00 0.00 O ATOM 708 CB ASP A 56 -17.137 -10.538 -12.759 1.00 0.00 C ATOM 709 CG ASP A 56 -15.943 -10.770 -13.685 1.00 0.00 C ATOM 710 OD1 ASP A 56 -15.814 -10.033 -14.648 1.00 0.00 O ATOM 711 OD2 ASP A 56 -15.177 -11.681 -13.416 1.00 0.00 O ATOM 0 H ASP A 56 -16.460 -8.791 -11.112 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.565 -8.741 -13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.858 -10.752 -11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.949 -11.218 -13.017 1.00 0.00 H new ATOM 716 N ALA A 57 -19.929 -9.791 -12.900 1.00 0.00 N ATOM 717 CA ALA A 57 -21.354 -9.696 -12.473 1.00 0.00 C ATOM 718 C ALA A 57 -21.474 -10.012 -10.984 1.00 0.00 C ATOM 719 O ALA A 57 -22.354 -9.524 -10.305 1.00 0.00 O ATOM 720 CB ALA A 57 -22.093 -10.740 -13.308 1.00 0.00 C ATOM 0 H ALA A 57 -19.721 -10.534 -13.567 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.766 -8.698 -12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -23.152 -10.730 -13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -21.976 -10.508 -14.367 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.679 -11.728 -13.105 1.00 0.00 H new ATOM 726 N SER A 58 -20.594 -10.825 -10.472 1.00 0.00 N ATOM 727 CA SER A 58 -20.655 -11.173 -9.026 1.00 0.00 C ATOM 728 C SER A 58 -19.743 -10.235 -8.234 1.00 0.00 C ATOM 729 O SER A 58 -19.396 -10.495 -7.098 1.00 0.00 O ATOM 730 CB SER A 58 -20.151 -12.613 -8.940 1.00 0.00 C ATOM 731 OG SER A 58 -18.728 -12.614 -8.971 1.00 0.00 O ATOM 0 H SER A 58 -19.835 -11.264 -10.993 1.00 0.00 H new ATOM 0 HA SER A 58 -21.659 -11.074 -8.614 1.00 0.00 H new ATOM 0 HB2 SER A 58 -20.507 -13.081 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 58 -20.545 -13.199 -9.770 1.00 0.00 H new ATOM 0 HG SER A 58 -18.400 -13.536 -8.914 1.00 0.00 H new ATOM 737 N GLY A 59 -19.351 -9.140 -8.830 1.00 0.00 N ATOM 738 CA GLY A 59 -18.461 -8.177 -8.120 1.00 0.00 C ATOM 739 C GLY A 59 -17.077 -8.802 -7.926 1.00 0.00 C ATOM 740 O GLY A 59 -16.266 -8.313 -7.166 1.00 0.00 O ATOM 0 H GLY A 59 -19.610 -8.871 -9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.377 -7.254 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.891 -7.914 -7.153 1.00 0.00 H new ATOM 744 N ALA A 60 -16.799 -9.882 -8.608 1.00 0.00 N ATOM 745 CA ALA A 60 -15.463 -10.535 -8.459 1.00 0.00 C ATOM 746 C ALA A 60 -14.579 -10.210 -9.668 1.00 0.00 C ATOM 747 O ALA A 60 -14.977 -10.379 -10.802 1.00 0.00 O ATOM 748 CB ALA A 60 -15.761 -12.035 -8.402 1.00 0.00 C ATOM 0 H ALA A 60 -17.436 -10.340 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.930 -10.190 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -14.828 -12.587 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.409 -12.245 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.259 -12.342 -9.322 1.00 0.00 H new ATOM 754 N ALA A 61 -13.380 -9.742 -9.435 1.00 0.00 N ATOM 755 CA ALA A 61 -12.478 -9.409 -10.579 1.00 0.00 C ATOM 756 C ALA A 61 -11.340 -10.427 -10.675 1.00 0.00 C ATOM 757 O ALA A 61 -11.000 -11.092 -9.715 1.00 0.00 O ATOM 758 CB ALA A 61 -11.922 -8.019 -10.263 1.00 0.00 C ATOM 0 H ALA A 61 -12.988 -9.577 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.006 -9.430 -11.532 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.249 -7.706 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.744 -7.308 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.376 -8.051 -9.320 1.00 0.00 H new ATOM 764 N SER A 62 -10.752 -10.553 -11.831 1.00 0.00 N ATOM 765 CA SER A 62 -9.634 -11.524 -12.007 1.00 0.00 C ATOM 766 C SER A 62 -8.892 -11.217 -13.308 1.00 0.00 C ATOM 767 O SER A 62 -9.485 -11.141 -14.366 1.00 0.00 O ATOM 768 CB SER A 62 -10.305 -12.896 -12.080 1.00 0.00 C ATOM 769 OG SER A 62 -11.126 -13.079 -10.932 1.00 0.00 O ATOM 0 H SER A 62 -10.998 -10.023 -12.667 1.00 0.00 H new ATOM 0 HA SER A 62 -8.905 -11.477 -11.198 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.905 -12.972 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.550 -13.681 -12.130 1.00 0.00 H new ATOM 0 HG SER A 62 -10.800 -12.512 -10.203 1.00 0.00 H new ATOM 775 N PHE A 63 -7.600 -11.038 -13.247 1.00 0.00 N ATOM 776 CA PHE A 63 -6.843 -10.737 -14.493 1.00 0.00 C ATOM 777 C PHE A 63 -5.340 -10.900 -14.268 1.00 0.00 C ATOM 778 O PHE A 63 -4.889 -11.187 -13.178 1.00 0.00 O ATOM 779 CB PHE A 63 -7.177 -9.281 -14.809 1.00 0.00 C ATOM 780 CG PHE A 63 -6.796 -8.411 -13.634 1.00 0.00 C ATOM 781 CD1 PHE A 63 -5.482 -7.946 -13.503 1.00 0.00 C ATOM 782 CD2 PHE A 63 -7.759 -8.069 -12.675 1.00 0.00 C ATOM 783 CE1 PHE A 63 -5.129 -7.140 -12.413 1.00 0.00 C ATOM 784 CE2 PHE A 63 -7.404 -7.262 -11.586 1.00 0.00 C ATOM 785 CZ PHE A 63 -6.091 -6.798 -11.455 1.00 0.00 C ATOM 0 H PHE A 63 -7.041 -11.087 -12.395 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.111 -11.412 -15.306 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.641 -8.959 -15.702 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.241 -9.179 -15.021 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.740 -8.209 -14.243 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.773 -8.427 -12.775 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.115 -6.782 -12.312 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.145 -6.998 -10.846 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.819 -6.176 -10.615 1.00 0.00 H new ATOM 795 N SER A 64 -4.566 -10.716 -15.300 1.00 0.00 N ATOM 796 CA SER A 64 -3.089 -10.856 -15.166 1.00 0.00 C ATOM 797 C SER A 64 -2.437 -9.473 -15.053 1.00 0.00 C ATOM 798 O SER A 64 -2.802 -8.545 -15.745 1.00 0.00 O ATOM 799 CB SER A 64 -2.645 -11.554 -16.449 1.00 0.00 C ATOM 800 OG SER A 64 -3.761 -12.213 -17.037 1.00 0.00 O ATOM 0 H SER A 64 -4.894 -10.474 -16.235 1.00 0.00 H new ATOM 0 HA SER A 64 -2.803 -11.416 -14.276 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.228 -10.827 -17.146 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.857 -12.274 -16.231 1.00 0.00 H new ATOM 0 HG SER A 64 -3.479 -12.661 -17.862 1.00 0.00 H new ATOM 806 N PHE A 65 -1.475 -9.329 -14.183 1.00 0.00 N ATOM 807 CA PHE A 65 -0.802 -8.011 -14.024 1.00 0.00 C ATOM 808 C PHE A 65 0.710 -8.206 -13.875 1.00 0.00 C ATOM 809 O PHE A 65 1.165 -9.056 -13.142 1.00 0.00 O ATOM 810 CB PHE A 65 -1.400 -7.415 -12.751 1.00 0.00 C ATOM 811 CG PHE A 65 -0.531 -6.284 -12.275 1.00 0.00 C ATOM 812 CD1 PHE A 65 -0.569 -5.051 -12.932 1.00 0.00 C ATOM 813 CD2 PHE A 65 0.319 -6.472 -11.182 1.00 0.00 C ATOM 814 CE1 PHE A 65 0.243 -4.002 -12.495 1.00 0.00 C ATOM 815 CE2 PHE A 65 1.131 -5.426 -10.743 1.00 0.00 C ATOM 816 CZ PHE A 65 1.096 -4.189 -11.399 1.00 0.00 C ATOM 0 H PHE A 65 -1.126 -10.070 -13.575 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.952 -7.360 -14.885 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.411 -7.056 -12.944 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.476 -8.180 -11.979 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.226 -4.909 -13.777 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.347 -7.426 -10.677 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.214 -3.048 -13.001 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.787 -5.570 -9.897 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.726 -3.380 -11.060 1.00 0.00 H new ATOM 826 N VAL A 66 1.491 -7.416 -14.558 1.00 0.00 N ATOM 827 CA VAL A 66 2.973 -7.560 -14.453 1.00 0.00 C ATOM 828 C VAL A 66 3.494 -6.820 -13.223 1.00 0.00 C ATOM 829 O VAL A 66 2.810 -6.006 -12.636 1.00 0.00 O ATOM 830 CB VAL A 66 3.526 -6.926 -15.724 1.00 0.00 C ATOM 831 CG1 VAL A 66 5.042 -7.136 -15.789 1.00 0.00 C ATOM 832 CG2 VAL A 66 2.867 -7.574 -16.942 1.00 0.00 C ATOM 0 H VAL A 66 1.169 -6.678 -15.184 1.00 0.00 H new ATOM 0 HA VAL A 66 3.275 -8.602 -14.350 1.00 0.00 H new ATOM 0 HB VAL A 66 3.312 -5.857 -15.718 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.434 -6.681 -16.699 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.511 -6.673 -14.921 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.262 -8.204 -15.793 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.261 -7.122 -17.852 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.081 -8.643 -16.946 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.789 -7.420 -16.898 1.00 0.00 H new ATOM 842 N VAL A 67 4.699 -7.099 -12.832 1.00 0.00 N ATOM 843 CA VAL A 67 5.280 -6.416 -11.636 1.00 0.00 C ATOM 844 C VAL A 67 6.669 -5.863 -11.964 1.00 0.00 C ATOM 845 O VAL A 67 7.302 -6.279 -12.910 1.00 0.00 O ATOM 846 CB VAL A 67 5.380 -7.505 -10.572 1.00 0.00 C ATOM 847 CG1 VAL A 67 3.988 -7.799 -10.012 1.00 0.00 C ATOM 848 CG2 VAL A 67 5.959 -8.778 -11.197 1.00 0.00 C ATOM 0 H VAL A 67 5.315 -7.773 -13.287 1.00 0.00 H new ATOM 0 HA VAL A 67 4.672 -5.574 -11.306 1.00 0.00 H new ATOM 0 HB VAL A 67 6.032 -7.167 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.059 -8.577 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.576 -6.893 -9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.336 -8.137 -10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.031 -9.556 -10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.308 -9.116 -12.003 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.951 -8.568 -11.596 1.00 0.00 H new ATOM 858 N ARG A 68 7.147 -4.925 -11.191 1.00 0.00 N ATOM 859 CA ARG A 68 8.498 -4.350 -11.465 1.00 0.00 C ATOM 860 C ARG A 68 9.389 -4.499 -10.225 1.00 0.00 C ATOM 861 O ARG A 68 9.190 -3.849 -9.219 1.00 0.00 O ATOM 862 CB ARG A 68 8.249 -2.879 -11.789 1.00 0.00 C ATOM 863 CG ARG A 68 8.448 -2.657 -13.291 1.00 0.00 C ATOM 864 CD ARG A 68 7.194 -2.012 -13.887 1.00 0.00 C ATOM 865 NE ARG A 68 7.459 -1.951 -15.351 1.00 0.00 N ATOM 866 CZ ARG A 68 7.510 -0.797 -15.961 1.00 0.00 C ATOM 867 NH1 ARG A 68 7.891 0.271 -15.312 1.00 0.00 N ATOM 868 NH2 ARG A 68 7.184 -0.713 -17.221 1.00 0.00 N ATOM 0 H ARG A 68 6.663 -4.532 -10.384 1.00 0.00 H new ATOM 0 HA ARG A 68 9.009 -4.856 -12.284 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.238 -2.596 -11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.933 -2.248 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.314 -2.018 -13.462 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.650 -3.607 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.304 -2.603 -13.670 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.026 -1.018 -13.473 1.00 0.00 H new ATOM 0 HE ARG A 68 7.601 -2.812 -15.879 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.149 0.204 -14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.930 1.171 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.890 -1.548 -17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.223 0.187 -17.699 1.00 0.00 H new ATOM 882 N LYS A 69 10.367 -5.353 -10.302 1.00 0.00 N ATOM 883 CA LYS A 69 11.287 -5.568 -9.143 1.00 0.00 C ATOM 884 C LYS A 69 11.738 -4.236 -8.503 1.00 0.00 C ATOM 885 O LYS A 69 11.795 -4.122 -7.300 1.00 0.00 O ATOM 886 CB LYS A 69 12.489 -6.312 -9.727 1.00 0.00 C ATOM 887 CG LYS A 69 13.642 -6.283 -8.723 1.00 0.00 C ATOM 888 CD LYS A 69 14.770 -7.193 -9.208 1.00 0.00 C ATOM 889 CE LYS A 69 16.005 -6.987 -8.327 1.00 0.00 C ATOM 890 NZ LYS A 69 17.042 -7.888 -8.900 1.00 0.00 N ATOM 0 H LYS A 69 10.574 -5.919 -11.125 1.00 0.00 H new ATOM 0 HA LYS A 69 10.792 -6.124 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.217 -7.343 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.797 -5.849 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.009 -5.263 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.293 -6.611 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.453 -8.235 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.010 -6.970 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.333 -5.948 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.795 -7.238 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.919 -7.802 -8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.705 -8.871 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.227 -7.621 -9.888 1.00 0.00 H new ATOM 904 N SER A 70 12.063 -3.236 -9.286 1.00 0.00 N ATOM 905 CA SER A 70 12.507 -1.931 -8.676 1.00 0.00 C ATOM 906 C SER A 70 11.810 -0.736 -9.344 1.00 0.00 C ATOM 907 O SER A 70 11.380 -0.807 -10.479 1.00 0.00 O ATOM 908 CB SER A 70 14.011 -1.874 -8.935 1.00 0.00 C ATOM 909 OG SER A 70 14.673 -2.793 -8.073 1.00 0.00 O ATOM 0 H SER A 70 12.043 -3.259 -10.306 1.00 0.00 H new ATOM 0 HA SER A 70 12.259 -1.878 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.222 -2.118 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.383 -0.864 -8.763 1.00 0.00 H new ATOM 0 HG SER A 70 15.638 -2.760 -8.239 1.00 0.00 H new ATOM 915 N TYR A 71 11.696 0.371 -8.639 1.00 0.00 N ATOM 916 CA TYR A 71 11.030 1.570 -9.227 1.00 0.00 C ATOM 917 C TYR A 71 11.085 2.740 -8.233 1.00 0.00 C ATOM 918 O TYR A 71 11.331 2.553 -7.061 1.00 0.00 O ATOM 919 CB TYR A 71 9.585 1.139 -9.488 1.00 0.00 C ATOM 920 CG TYR A 71 8.826 1.080 -8.186 1.00 0.00 C ATOM 921 CD1 TYR A 71 8.279 2.248 -7.644 1.00 0.00 C ATOM 922 CD2 TYR A 71 8.664 -0.143 -7.524 1.00 0.00 C ATOM 923 CE1 TYR A 71 7.569 2.194 -6.439 1.00 0.00 C ATOM 924 CE2 TYR A 71 7.956 -0.197 -6.319 1.00 0.00 C ATOM 925 CZ TYR A 71 7.408 0.971 -5.777 1.00 0.00 C ATOM 926 OH TYR A 71 6.708 0.916 -4.590 1.00 0.00 O ATOM 0 H TYR A 71 12.037 0.489 -7.685 1.00 0.00 H new ATOM 0 HA TYR A 71 11.516 1.910 -10.142 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.104 1.841 -10.169 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.569 0.163 -9.973 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.405 3.191 -8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.086 -1.044 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 71 7.146 3.095 -6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.832 -1.140 -5.807 1.00 0.00 H new ATOM 0 HH TYR A 71 6.250 1.769 -4.440 1.00 0.00 H new ATOM 936 N THR A 72 10.858 3.942 -8.691 1.00 0.00 N ATOM 937 CA THR A 72 10.902 5.115 -7.763 1.00 0.00 C ATOM 938 C THR A 72 9.576 5.242 -7.003 1.00 0.00 C ATOM 939 O THR A 72 8.511 5.202 -7.585 1.00 0.00 O ATOM 940 CB THR A 72 11.120 6.325 -8.666 1.00 0.00 C ATOM 941 OG1 THR A 72 11.835 5.925 -9.829 1.00 0.00 O ATOM 942 CG2 THR A 72 11.919 7.389 -7.914 1.00 0.00 C ATOM 0 H THR A 72 10.645 4.164 -9.663 1.00 0.00 H new ATOM 0 HA THR A 72 11.688 5.019 -7.014 1.00 0.00 H new ATOM 0 HB THR A 72 10.155 6.739 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.974 6.701 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 72 12.074 8.253 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.369 7.696 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.885 6.978 -7.620 1.00 0.00 H new ATOM 950 N GLY A 73 9.632 5.401 -5.706 1.00 0.00 N ATOM 951 CA GLY A 73 8.374 5.530 -4.917 1.00 0.00 C ATOM 952 C GLY A 73 7.835 6.955 -5.024 1.00 0.00 C ATOM 953 O GLY A 73 8.579 7.913 -5.071 1.00 0.00 O ATOM 0 H GLY A 73 10.493 5.447 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.630 4.823 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.563 5.281 -3.873 1.00 0.00 H new ATOM 957 N SER A 74 6.541 7.094 -5.058 1.00 0.00 N ATOM 958 CA SER A 74 5.922 8.452 -5.162 1.00 0.00 C ATOM 959 C SER A 74 4.420 8.357 -4.865 1.00 0.00 C ATOM 960 O SER A 74 3.710 7.574 -5.463 1.00 0.00 O ATOM 961 CB SER A 74 6.149 8.890 -6.609 1.00 0.00 C ATOM 962 OG SER A 74 7.452 8.501 -7.027 1.00 0.00 O ATOM 0 H SER A 74 5.876 6.321 -5.018 1.00 0.00 H new ATOM 0 HA SER A 74 6.354 9.160 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.398 8.439 -7.258 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.036 9.971 -6.694 1.00 0.00 H new ATOM 0 HG SER A 74 8.099 8.714 -6.322 1.00 0.00 H new ATOM 968 N THR A 75 3.931 9.147 -3.948 1.00 0.00 N ATOM 969 CA THR A 75 2.473 9.095 -3.620 1.00 0.00 C ATOM 970 C THR A 75 1.630 9.366 -4.873 1.00 0.00 C ATOM 971 O THR A 75 2.010 10.147 -5.722 1.00 0.00 O ATOM 972 CB THR A 75 2.258 10.196 -2.582 1.00 0.00 C ATOM 973 OG1 THR A 75 2.717 11.434 -3.107 1.00 0.00 O ATOM 974 CG2 THR A 75 3.033 9.861 -1.310 1.00 0.00 C ATOM 0 H THR A 75 4.474 9.824 -3.412 1.00 0.00 H new ATOM 0 HA THR A 75 2.174 8.116 -3.245 1.00 0.00 H new ATOM 0 HB THR A 75 1.196 10.271 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.685 11.506 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.878 10.648 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.680 8.911 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.096 9.784 -1.541 1.00 0.00 H new ATOM 982 N PRO A 76 0.505 8.704 -4.939 1.00 0.00 N ATOM 983 CA PRO A 76 -0.412 8.866 -6.092 1.00 0.00 C ATOM 984 C PRO A 76 -1.093 10.238 -6.045 1.00 0.00 C ATOM 985 O PRO A 76 -1.804 10.619 -6.953 1.00 0.00 O ATOM 986 CB PRO A 76 -1.431 7.749 -5.902 1.00 0.00 C ATOM 987 CG PRO A 76 -1.409 7.455 -4.435 1.00 0.00 C ATOM 988 CD PRO A 76 -0.008 7.748 -3.956 1.00 0.00 C ATOM 0 HA PRO A 76 0.098 8.811 -7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.424 8.060 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.165 6.868 -6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.136 8.071 -3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.674 6.415 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.009 8.170 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.600 6.844 -3.922 1.00 0.00 H new ATOM 996 N GLU A 77 -0.878 10.981 -4.994 1.00 0.00 N ATOM 997 CA GLU A 77 -1.513 12.326 -4.889 1.00 0.00 C ATOM 998 C GLU A 77 -0.679 13.367 -5.650 1.00 0.00 C ATOM 999 O GLU A 77 -0.827 13.539 -6.844 1.00 0.00 O ATOM 1000 CB GLU A 77 -1.532 12.638 -3.392 1.00 0.00 C ATOM 1001 CG GLU A 77 -2.591 11.776 -2.703 1.00 0.00 C ATOM 1002 CD GLU A 77 -1.949 11.010 -1.545 1.00 0.00 C ATOM 1003 OE1 GLU A 77 -1.137 10.141 -1.815 1.00 0.00 O ATOM 1004 OE2 GLU A 77 -2.281 11.306 -0.409 1.00 0.00 O ATOM 0 H GLU A 77 -0.290 10.715 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.514 12.347 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.551 12.444 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.748 13.694 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.402 12.403 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.028 11.078 -3.417 1.00 0.00 H new ATOM 1011 N GLY A 78 0.196 14.060 -4.970 1.00 0.00 N ATOM 1012 CA GLY A 78 1.032 15.084 -5.658 1.00 0.00 C ATOM 1013 C GLY A 78 2.268 15.389 -4.811 1.00 0.00 C ATOM 1014 O GLY A 78 2.539 16.525 -4.477 1.00 0.00 O ATOM 0 H GLY A 78 0.367 13.961 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.333 14.722 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.453 15.994 -5.816 1.00 0.00 H new ATOM 1018 N THR A 79 3.020 14.381 -4.461 1.00 0.00 N ATOM 1019 CA THR A 79 4.241 14.615 -3.633 1.00 0.00 C ATOM 1020 C THR A 79 5.211 13.434 -3.774 1.00 0.00 C ATOM 1021 O THR A 79 4.805 12.290 -3.744 1.00 0.00 O ATOM 1022 CB THR A 79 3.736 14.725 -2.189 1.00 0.00 C ATOM 1023 OG1 THR A 79 2.331 14.507 -2.156 1.00 0.00 O ATOM 1024 CG2 THR A 79 4.050 16.116 -1.643 1.00 0.00 C ATOM 0 H THR A 79 2.844 13.408 -4.711 1.00 0.00 H new ATOM 0 HA THR A 79 4.780 15.510 -3.942 1.00 0.00 H new ATOM 0 HB THR A 79 4.232 13.974 -1.575 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.011 14.576 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.691 16.194 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.127 16.280 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.556 16.868 -2.258 1.00 0.00 H new ATOM 1032 N PRO A 80 6.466 13.760 -3.924 1.00 0.00 N ATOM 1033 CA PRO A 80 7.507 12.720 -4.072 1.00 0.00 C ATOM 1034 C PRO A 80 7.807 12.072 -2.716 1.00 0.00 C ATOM 1035 O PRO A 80 7.521 12.628 -1.674 1.00 0.00 O ATOM 1036 CB PRO A 80 8.717 13.489 -4.584 1.00 0.00 C ATOM 1037 CG PRO A 80 8.512 14.902 -4.117 1.00 0.00 C ATOM 1038 CD PRO A 80 7.021 15.114 -3.969 1.00 0.00 C ATOM 0 HA PRO A 80 7.212 11.911 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.644 13.074 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.784 13.439 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.020 15.071 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.932 15.608 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.786 15.670 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.615 15.683 -4.806 1.00 0.00 H new ATOM 1046 N VAL A 81 8.383 10.901 -2.722 1.00 0.00 N ATOM 1047 CA VAL A 81 8.699 10.221 -1.433 1.00 0.00 C ATOM 1048 C VAL A 81 10.136 9.693 -1.449 1.00 0.00 C ATOM 1049 O VAL A 81 10.838 9.749 -0.459 1.00 0.00 O ATOM 1050 CB VAL A 81 7.705 9.072 -1.343 1.00 0.00 C ATOM 1051 CG1 VAL A 81 7.813 8.407 0.029 1.00 0.00 C ATOM 1052 CG2 VAL A 81 6.286 9.611 -1.538 1.00 0.00 C ATOM 0 H VAL A 81 8.648 10.386 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 81 8.622 10.895 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 81 7.927 8.339 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.101 7.584 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.824 8.023 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.592 9.138 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.573 8.789 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.066 10.344 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.208 10.084 -2.517 1.00 0.00 H new ATOM 1062 N GLY A 82 10.577 9.179 -2.562 1.00 0.00 N ATOM 1063 CA GLY A 82 11.969 8.648 -2.637 1.00 0.00 C ATOM 1064 C GLY A 82 12.028 7.496 -3.641 1.00 0.00 C ATOM 1065 O GLY A 82 11.090 7.249 -4.373 1.00 0.00 O ATOM 0 H GLY A 82 10.036 9.103 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.655 9.440 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.290 8.303 -1.654 1.00 0.00 H new ATOM 1069 N SER A 83 13.124 6.789 -3.682 1.00 0.00 N ATOM 1070 CA SER A 83 13.245 5.651 -4.639 1.00 0.00 C ATOM 1071 C SER A 83 12.848 4.341 -3.951 1.00 0.00 C ATOM 1072 O SER A 83 12.764 4.268 -2.740 1.00 0.00 O ATOM 1073 CB SER A 83 14.719 5.626 -5.035 1.00 0.00 C ATOM 1074 OG SER A 83 15.197 6.962 -5.150 1.00 0.00 O ATOM 0 H SER A 83 13.942 6.950 -3.094 1.00 0.00 H new ATOM 0 HA SER A 83 12.593 5.764 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.299 5.083 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.845 5.100 -5.981 1.00 0.00 H new ATOM 0 HG SER A 83 16.144 6.950 -5.403 1.00 0.00 H new ATOM 1080 N VAL A 84 12.603 3.303 -4.707 1.00 0.00 N ATOM 1081 CA VAL A 84 12.215 2.013 -4.083 1.00 0.00 C ATOM 1082 C VAL A 84 12.863 0.848 -4.829 1.00 0.00 C ATOM 1083 O VAL A 84 13.197 0.948 -5.992 1.00 0.00 O ATOM 1084 CB VAL A 84 10.695 1.952 -4.212 1.00 0.00 C ATOM 1085 CG1 VAL A 84 10.219 0.517 -3.987 1.00 0.00 C ATOM 1086 CG2 VAL A 84 10.061 2.870 -3.165 1.00 0.00 C ATOM 0 H VAL A 84 12.656 3.297 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 84 12.539 1.944 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 84 10.401 2.278 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.134 0.475 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.672 -0.138 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.511 0.189 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.975 2.829 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.356 2.543 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.400 3.894 -3.326 1.00 0.00 H new ATOM 1096 N ASP A 85 13.039 -0.252 -4.165 1.00 0.00 N ATOM 1097 CA ASP A 85 13.662 -1.430 -4.824 1.00 0.00 C ATOM 1098 C ASP A 85 13.185 -2.710 -4.140 1.00 0.00 C ATOM 1099 O ASP A 85 13.683 -3.099 -3.103 1.00 0.00 O ATOM 1100 CB ASP A 85 15.165 -1.241 -4.643 1.00 0.00 C ATOM 1101 CG ASP A 85 15.587 0.098 -5.252 1.00 0.00 C ATOM 1102 OD1 ASP A 85 15.461 0.244 -6.456 1.00 0.00 O ATOM 1103 OD2 ASP A 85 16.029 0.955 -4.503 1.00 0.00 O ATOM 0 H ASP A 85 12.778 -0.390 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 85 13.397 -1.512 -5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.421 -1.268 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.705 -2.057 -5.122 1.00 0.00 H new ATOM 1108 N CYS A 86 12.224 -3.363 -4.719 1.00 0.00 N ATOM 1109 CA CYS A 86 11.699 -4.627 -4.114 1.00 0.00 C ATOM 1110 C CYS A 86 12.794 -5.702 -4.090 1.00 0.00 C ATOM 1111 O CYS A 86 12.633 -6.749 -3.492 1.00 0.00 O ATOM 1112 CB CYS A 86 10.541 -5.067 -5.022 1.00 0.00 C ATOM 1113 SG CYS A 86 9.476 -3.649 -5.412 1.00 0.00 S ATOM 0 H CYS A 86 11.773 -3.081 -5.589 1.00 0.00 H new ATOM 0 HA CYS A 86 11.373 -4.478 -3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 86 10.935 -5.499 -5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.958 -5.844 -4.529 1.00 0.00 H new ATOM 1118 N ALA A 87 13.907 -5.454 -4.730 1.00 0.00 N ATOM 1119 CA ALA A 87 15.004 -6.467 -4.738 1.00 0.00 C ATOM 1120 C ALA A 87 15.444 -6.770 -3.309 1.00 0.00 C ATOM 1121 O ALA A 87 15.606 -7.912 -2.924 1.00 0.00 O ATOM 1122 CB ALA A 87 16.142 -5.813 -5.522 1.00 0.00 C ATOM 0 H ALA A 87 14.104 -4.596 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 87 14.694 -7.412 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.989 -6.497 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 87 15.802 -5.581 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.447 -4.894 -5.022 1.00 0.00 H new ATOM 1128 N THR A 88 15.636 -5.756 -2.522 1.00 0.00 N ATOM 1129 CA THR A 88 16.065 -5.970 -1.112 1.00 0.00 C ATOM 1130 C THR A 88 15.067 -5.303 -0.161 1.00 0.00 C ATOM 1131 O THR A 88 15.265 -5.268 1.037 1.00 0.00 O ATOM 1132 CB THR A 88 17.433 -5.297 -1.010 1.00 0.00 C ATOM 1133 OG1 THR A 88 17.904 -5.384 0.329 1.00 0.00 O ATOM 1134 CG2 THR A 88 17.306 -3.829 -1.418 1.00 0.00 C ATOM 0 H THR A 88 15.514 -4.780 -2.793 1.00 0.00 H new ATOM 0 HA THR A 88 16.111 -7.026 -0.844 1.00 0.00 H new ATOM 0 HB THR A 88 18.139 -5.797 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 88 17.142 -5.480 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 88 18.280 -3.346 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 88 16.945 -3.767 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 88 16.602 -3.327 -0.754 1.00 0.00 H new ATOM 1142 N ALA A 89 13.996 -4.775 -0.690 1.00 0.00 N ATOM 1143 CA ALA A 89 12.985 -4.110 0.178 1.00 0.00 C ATOM 1144 C ALA A 89 11.687 -4.923 0.207 1.00 0.00 C ATOM 1145 O ALA A 89 11.473 -5.801 -0.605 1.00 0.00 O ATOM 1146 CB ALA A 89 12.748 -2.748 -0.473 1.00 0.00 C ATOM 0 H ALA A 89 13.778 -4.776 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 89 13.322 -4.020 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.012 -2.191 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.684 -2.191 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.378 -2.890 -1.488 1.00 0.00 H new ATOM 1152 N ALA A 90 10.820 -4.635 1.140 1.00 0.00 N ATOM 1153 CA ALA A 90 9.535 -5.387 1.227 1.00 0.00 C ATOM 1154 C ALA A 90 8.454 -4.666 0.417 1.00 0.00 C ATOM 1155 O ALA A 90 7.760 -3.803 0.919 1.00 0.00 O ATOM 1156 CB ALA A 90 9.178 -5.394 2.711 1.00 0.00 C ATOM 0 H ALA A 90 10.946 -3.910 1.847 1.00 0.00 H new ATOM 0 HA ALA A 90 9.616 -6.397 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.241 -5.931 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.971 -5.887 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.067 -4.369 3.063 1.00 0.00 H new ATOM 1162 N CYS A 91 8.308 -5.011 -0.831 1.00 0.00 N ATOM 1163 CA CYS A 91 7.274 -4.346 -1.674 1.00 0.00 C ATOM 1164 C CYS A 91 5.906 -5.002 -1.470 1.00 0.00 C ATOM 1165 O CYS A 91 5.796 -6.086 -0.926 1.00 0.00 O ATOM 1166 CB CYS A 91 7.753 -4.547 -3.107 1.00 0.00 C ATOM 1167 SG CYS A 91 8.698 -3.100 -3.634 1.00 0.00 S ATOM 0 H CYS A 91 8.860 -5.726 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 91 7.154 -3.292 -1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 91 8.371 -5.442 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 91 6.900 -4.699 -3.769 1.00 0.00 H new ATOM 1172 N ASN A 92 4.864 -4.356 -1.910 1.00 0.00 N ATOM 1173 CA ASN A 92 3.501 -4.932 -1.748 1.00 0.00 C ATOM 1174 C ASN A 92 2.576 -4.431 -2.867 1.00 0.00 C ATOM 1175 O ASN A 92 2.992 -3.722 -3.761 1.00 0.00 O ATOM 1176 CB ASN A 92 3.022 -4.436 -0.378 1.00 0.00 C ATOM 1177 CG ASN A 92 2.535 -2.987 -0.489 1.00 0.00 C ATOM 1178 OD1 ASN A 92 2.969 -2.253 -1.353 1.00 0.00 O ATOM 1179 ND2 ASN A 92 1.645 -2.546 0.357 1.00 0.00 N ATOM 0 H ASN A 92 4.898 -3.450 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 92 3.500 -6.020 -1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 92 2.216 -5.073 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.834 -4.502 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.313 -1.584 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.281 -3.164 1.083 1.00 0.00 H new ATOM 1186 N LEU A 93 1.328 -4.799 -2.822 1.00 0.00 N ATOM 1187 CA LEU A 93 0.373 -4.352 -3.875 1.00 0.00 C ATOM 1188 C LEU A 93 -0.992 -4.079 -3.246 1.00 0.00 C ATOM 1189 O LEU A 93 -1.346 -4.665 -2.245 1.00 0.00 O ATOM 1190 CB LEU A 93 0.292 -5.522 -4.858 1.00 0.00 C ATOM 1191 CG LEU A 93 -0.913 -5.336 -5.783 1.00 0.00 C ATOM 1192 CD1 LEU A 93 -0.626 -4.210 -6.777 1.00 0.00 C ATOM 1193 CD2 LEU A 93 -1.169 -6.636 -6.551 1.00 0.00 C ATOM 0 H LEU A 93 0.925 -5.393 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 93 0.690 -3.433 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.208 -5.580 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.203 -6.462 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.791 -5.082 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.485 -4.078 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.440 -3.284 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.251 -4.464 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.027 -6.506 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.290 -6.887 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.373 -7.441 -5.845 1.00 0.00 H new ATOM 1205 N GLY A 94 -1.762 -3.198 -3.820 1.00 0.00 N ATOM 1206 CA GLY A 94 -3.101 -2.902 -3.240 1.00 0.00 C ATOM 1207 C GLY A 94 -4.050 -2.430 -4.342 1.00 0.00 C ATOM 1208 O GLY A 94 -3.628 -1.991 -5.395 1.00 0.00 O ATOM 0 H GLY A 94 -1.524 -2.673 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.504 -3.793 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.013 -2.135 -2.470 1.00 0.00 H new ATOM 1212 N ALA A 95 -5.331 -2.518 -4.105 1.00 0.00 N ATOM 1213 CA ALA A 95 -6.314 -2.076 -5.137 1.00 0.00 C ATOM 1214 C ALA A 95 -7.142 -0.897 -4.611 1.00 0.00 C ATOM 1215 O ALA A 95 -6.899 -0.387 -3.537 1.00 0.00 O ATOM 1216 CB ALA A 95 -7.206 -3.293 -5.377 1.00 0.00 C ATOM 0 H ALA A 95 -5.740 -2.877 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.829 -1.738 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.959 -3.050 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.598 -4.126 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.698 -3.573 -4.446 1.00 0.00 H new ATOM 1222 N GLY A 96 -8.119 -0.461 -5.363 1.00 0.00 N ATOM 1223 CA GLY A 96 -8.959 0.682 -4.905 1.00 0.00 C ATOM 1224 C GLY A 96 -9.293 1.586 -6.095 1.00 0.00 C ATOM 1225 O GLY A 96 -8.468 1.828 -6.953 1.00 0.00 O ATOM 0 H GLY A 96 -8.370 -0.847 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.877 0.311 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.430 1.251 -4.141 1.00 0.00 H new ATOM 1229 N ASN A 97 -10.499 2.086 -6.155 1.00 0.00 N ATOM 1230 CA ASN A 97 -10.883 2.972 -7.289 1.00 0.00 C ATOM 1231 C ASN A 97 -11.084 4.408 -6.796 1.00 0.00 C ATOM 1232 O ASN A 97 -10.823 5.359 -7.504 1.00 0.00 O ATOM 1233 CB ASN A 97 -12.197 2.399 -7.819 1.00 0.00 C ATOM 1234 CG ASN A 97 -12.656 3.212 -9.032 1.00 0.00 C ATOM 1235 OD1 ASN A 97 -11.876 3.929 -9.627 1.00 0.00 O ATOM 1236 ND2 ASN A 97 -13.897 3.130 -9.426 1.00 0.00 N ATOM 0 H ASN A 97 -11.233 1.918 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.114 3.006 -8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.064 1.354 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.959 2.427 -7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.212 3.668 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.552 2.528 -8.927 1.00 0.00 H new ATOM 1243 N SER A 98 -11.546 4.571 -5.587 1.00 0.00 N ATOM 1244 CA SER A 98 -11.761 5.949 -5.055 1.00 0.00 C ATOM 1245 C SER A 98 -12.090 5.902 -3.558 1.00 0.00 C ATOM 1246 O SER A 98 -11.437 6.534 -2.751 1.00 0.00 O ATOM 1247 CB SER A 98 -12.949 6.491 -5.844 1.00 0.00 C ATOM 1248 OG SER A 98 -12.555 7.670 -6.536 1.00 0.00 O ATOM 0 H SER A 98 -11.783 3.814 -4.946 1.00 0.00 H new ATOM 0 HA SER A 98 -10.874 6.574 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.303 5.741 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.778 6.710 -5.171 1.00 0.00 H new ATOM 0 HG SER A 98 -11.813 7.461 -7.142 1.00 0.00 H new ATOM 1254 N GLY A 99 -13.093 5.157 -3.182 1.00 0.00 N ATOM 1255 CA GLY A 99 -13.456 5.076 -1.740 1.00 0.00 C ATOM 1256 C GLY A 99 -13.952 3.667 -1.408 1.00 0.00 C ATOM 1257 O GLY A 99 -15.067 3.480 -0.964 1.00 0.00 O ATOM 0 H GLY A 99 -13.675 4.602 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.591 5.321 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.230 5.808 -1.509 1.00 0.00 H new ATOM 1261 N LEU A 100 -13.133 2.674 -1.622 1.00 0.00 N ATOM 1262 CA LEU A 100 -13.562 1.276 -1.316 1.00 0.00 C ATOM 1263 C LEU A 100 -12.420 0.501 -0.655 1.00 0.00 C ATOM 1264 O LEU A 100 -12.586 -0.102 0.386 1.00 0.00 O ATOM 1265 CB LEU A 100 -13.913 0.656 -2.668 1.00 0.00 C ATOM 1266 CG LEU A 100 -14.876 -0.514 -2.453 1.00 0.00 C ATOM 1267 CD1 LEU A 100 -15.249 -1.126 -3.802 1.00 0.00 C ATOM 1268 CD2 LEU A 100 -14.198 -1.576 -1.583 1.00 0.00 C ATOM 0 H LEU A 100 -12.188 2.768 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.405 1.251 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.370 1.404 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.008 0.310 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.778 -0.155 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -15.935 -1.959 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.730 -0.371 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.348 -1.486 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.882 -2.411 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.297 -1.933 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.932 -1.141 -0.619 1.00 0.00 H new ATOM 1280 N ASP A 101 -11.264 0.514 -1.252 1.00 0.00 N ATOM 1281 CA ASP A 101 -10.105 -0.222 -0.662 1.00 0.00 C ATOM 1282 C ASP A 101 -10.473 -1.689 -0.420 1.00 0.00 C ATOM 1283 O ASP A 101 -11.250 -2.009 0.458 1.00 0.00 O ATOM 1284 CB ASP A 101 -9.816 0.484 0.662 1.00 0.00 C ATOM 1285 CG ASP A 101 -8.453 1.176 0.585 1.00 0.00 C ATOM 1286 OD1 ASP A 101 -7.466 0.532 0.904 1.00 0.00 O ATOM 1287 OD2 ASP A 101 -8.420 2.335 0.208 1.00 0.00 O ATOM 0 H ASP A 101 -11.067 1.003 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.238 -0.219 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.596 1.216 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.824 -0.237 1.480 1.00 0.00 H new ATOM 1292 N LEU A 102 -9.922 -2.583 -1.195 1.00 0.00 N ATOM 1293 CA LEU A 102 -10.239 -4.025 -1.010 1.00 0.00 C ATOM 1294 C LEU A 102 -9.173 -4.691 -0.138 1.00 0.00 C ATOM 1295 O LEU A 102 -9.461 -5.212 0.922 1.00 0.00 O ATOM 1296 CB LEU A 102 -10.230 -4.617 -2.420 1.00 0.00 C ATOM 1297 CG LEU A 102 -11.210 -3.844 -3.302 1.00 0.00 C ATOM 1298 CD1 LEU A 102 -10.445 -3.153 -4.431 1.00 0.00 C ATOM 1299 CD2 LEU A 102 -12.232 -4.814 -3.897 1.00 0.00 C ATOM 0 H LEU A 102 -9.266 -2.376 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.196 -4.178 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.226 -4.566 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.508 -5.670 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.726 -3.094 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.144 -2.602 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.716 -2.462 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.929 -3.902 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.932 -4.264 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.716 -5.563 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.778 -5.307 -3.092 1.00 0.00 H new ATOM 1311 N GLY A 103 -7.943 -4.677 -0.572 1.00 0.00 N ATOM 1312 CA GLY A 103 -6.863 -5.310 0.234 1.00 0.00 C ATOM 1313 C GLY A 103 -5.523 -5.141 -0.481 1.00 0.00 C ATOM 1314 O GLY A 103 -5.445 -4.566 -1.551 1.00 0.00 O ATOM 0 H GLY A 103 -7.640 -4.255 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.819 -4.854 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.078 -6.369 0.380 1.00 0.00 H new ATOM 1318 N HIS A 104 -4.465 -5.634 0.102 1.00 0.00 N ATOM 1319 CA HIS A 104 -3.126 -5.503 -0.542 1.00 0.00 C ATOM 1320 C HIS A 104 -2.309 -6.785 -0.335 1.00 0.00 C ATOM 1321 O HIS A 104 -2.291 -7.353 0.737 1.00 0.00 O ATOM 1322 CB HIS A 104 -2.463 -4.326 0.172 1.00 0.00 C ATOM 1323 CG HIS A 104 -2.412 -4.607 1.647 1.00 0.00 C ATOM 1324 ND1 HIS A 104 -1.326 -5.229 2.244 1.00 0.00 N ATOM 1325 CD2 HIS A 104 -3.306 -4.359 2.657 1.00 0.00 C ATOM 1326 CE1 HIS A 104 -1.594 -5.333 3.559 1.00 0.00 C ATOM 1327 NE2 HIS A 104 -2.789 -4.819 3.864 1.00 0.00 N ATOM 0 H HIS A 104 -4.469 -6.122 0.997 1.00 0.00 H new ATOM 0 HA HIS A 104 -3.198 -5.344 -1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -1.456 -4.171 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.022 -3.409 -0.016 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.266 -3.879 2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -0.924 -5.778 4.280 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.228 -4.774 4.784 1.00 0.00 H new ATOM 1335 N VAL A 105 -1.632 -7.243 -1.354 1.00 0.00 N ATOM 1336 CA VAL A 105 -0.816 -8.490 -1.212 1.00 0.00 C ATOM 1337 C VAL A 105 0.676 -8.141 -1.152 1.00 0.00 C ATOM 1338 O VAL A 105 1.188 -7.432 -1.993 1.00 0.00 O ATOM 1339 CB VAL A 105 -1.122 -9.310 -2.463 1.00 0.00 C ATOM 1340 CG1 VAL A 105 -0.301 -10.600 -2.440 1.00 0.00 C ATOM 1341 CG2 VAL A 105 -2.612 -9.656 -2.496 1.00 0.00 C ATOM 0 H VAL A 105 -1.607 -6.811 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.053 -9.036 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.864 -8.730 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.519 -11.186 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.761 -10.355 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.559 -11.180 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.830 -10.241 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.871 -10.236 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.199 -8.737 -2.512 1.00 0.00 H new ATOM 1351 N ALA A 106 1.380 -8.643 -0.174 1.00 0.00 N ATOM 1352 CA ALA A 106 2.837 -8.333 -0.072 1.00 0.00 C ATOM 1353 C ALA A 106 3.640 -9.245 -1.004 1.00 0.00 C ATOM 1354 O ALA A 106 3.578 -10.454 -0.911 1.00 0.00 O ATOM 1355 CB ALA A 106 3.200 -8.602 1.388 1.00 0.00 C ATOM 0 H ALA A 106 1.012 -9.252 0.557 1.00 0.00 H new ATOM 0 HA ALA A 106 3.061 -7.307 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.259 -8.396 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.606 -7.957 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.994 -9.645 1.628 1.00 0.00 H new ATOM 1361 N LEU A 107 4.396 -8.671 -1.899 1.00 0.00 N ATOM 1362 CA LEU A 107 5.203 -9.503 -2.839 1.00 0.00 C ATOM 1363 C LEU A 107 6.684 -9.459 -2.443 1.00 0.00 C ATOM 1364 O LEU A 107 7.087 -8.682 -1.600 1.00 0.00 O ATOM 1365 CB LEU A 107 4.999 -8.864 -4.219 1.00 0.00 C ATOM 1366 CG LEU A 107 3.525 -8.482 -4.405 1.00 0.00 C ATOM 1367 CD1 LEU A 107 3.367 -7.655 -5.682 1.00 0.00 C ATOM 1368 CD2 LEU A 107 2.679 -9.753 -4.515 1.00 0.00 C ATOM 0 H LEU A 107 4.491 -7.663 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 107 4.898 -10.549 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.628 -7.979 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.305 -9.560 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 107 3.193 -7.895 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.319 -7.384 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.969 -6.749 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.700 -8.241 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.631 -9.482 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.013 -10.340 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.789 -10.343 -3.605 1.00 0.00 H new ATOM 1380 N THR A 108 7.494 -10.286 -3.043 1.00 0.00 N ATOM 1381 CA THR A 108 8.946 -10.292 -2.702 1.00 0.00 C ATOM 1382 C THR A 108 9.764 -10.686 -3.935 1.00 0.00 C ATOM 1383 O THR A 108 9.370 -11.537 -4.698 1.00 0.00 O ATOM 1384 CB THR A 108 9.081 -11.340 -1.589 1.00 0.00 C ATOM 1385 OG1 THR A 108 8.771 -10.740 -0.338 1.00 0.00 O ATOM 1386 CG2 THR A 108 10.511 -11.890 -1.549 1.00 0.00 C ATOM 0 H THR A 108 7.214 -10.959 -3.756 1.00 0.00 H new ATOM 0 HA THR A 108 9.312 -9.317 -2.381 1.00 0.00 H new ATOM 0 HB THR A 108 8.391 -12.160 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.233 -9.934 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.593 -12.632 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.749 -12.354 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.209 -11.075 -1.357 1.00 0.00 H new ATOM 1394 N PHE A 109 10.898 -10.071 -4.137 1.00 0.00 N ATOM 1395 CA PHE A 109 11.733 -10.419 -5.327 1.00 0.00 C ATOM 1396 C PHE A 109 13.004 -11.155 -4.887 1.00 0.00 C ATOM 1397 O PHE A 109 14.085 -10.600 -4.893 1.00 0.00 O ATOM 1398 CB PHE A 109 12.089 -9.080 -5.971 1.00 0.00 C ATOM 1399 CG PHE A 109 10.935 -8.599 -6.820 1.00 0.00 C ATOM 1400 CD1 PHE A 109 9.930 -7.809 -6.252 1.00 0.00 C ATOM 1401 CD2 PHE A 109 10.876 -8.940 -8.177 1.00 0.00 C ATOM 1402 CE1 PHE A 109 8.862 -7.359 -7.041 1.00 0.00 C ATOM 1403 CE2 PHE A 109 9.811 -8.489 -8.967 1.00 0.00 C ATOM 1404 CZ PHE A 109 8.803 -7.698 -8.398 1.00 0.00 C ATOM 0 H PHE A 109 11.283 -9.345 -3.533 1.00 0.00 H new ATOM 0 HA PHE A 109 11.207 -11.077 -6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 109 12.317 -8.344 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.984 -9.187 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 109 9.977 -7.546 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 109 11.652 -9.551 -8.614 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.085 -6.751 -6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 109 9.766 -8.750 -10.014 1.00 0.00 H new ATOM 0 HZ PHE A 109 7.981 -7.350 -9.006 1.00 0.00 H new ATOM 1414 N GLY A 110 12.883 -12.398 -4.508 1.00 0.00 N ATOM 1415 CA GLY A 110 14.085 -13.165 -4.069 1.00 0.00 C ATOM 1416 C GLY A 110 14.710 -12.484 -2.850 1.00 0.00 C ATOM 1417 O GLY A 110 15.661 -11.744 -3.034 1.00 0.00 O ATOM 1418 OXT GLY A 110 14.226 -12.715 -1.755 1.00 0.00 O ATOM 0 H GLY A 110 12.005 -12.916 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.805 -14.189 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.811 -13.219 -4.880 1.00 0.00 H new