USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 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 73 TYR OH : rot -19:sc= 0.517 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -122:sc= 1.39 (180deg=0.2) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 53 SER OG : rot 180:sc= -0.339 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.888 (180deg=-2.17!) USER MOD Single : A 19 SER OG : rot 110:sc= 0.921 USER MOD Single : A 20 ASN : amide:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.376) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.63) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 30:sc= 0.336 USER MOD Single : A 46 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.6!) USER MOD Single : A 52 SER OG : rot -57:sc= 0.13 USER MOD Single : A 58 TYR OH : rot 114:sc= -0.493 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0299 USER MOD Single : A 65 SER OG : rot -89:sc= 1.17 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 83 ASN : amide:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -5.33! C(o=-5.3!,f=-3.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 168:sc= -1.26 (180deg=-1.52!) USER MOD Single : A 95 TYR OH : rot 0:sc= -1.27 USER MOD Single : A 96 HIS : no HD1:sc= -2.25 X(o=-2.3,f=-2.7!) USER MOD Single : A 100 GLN : amide:sc= -0.967! C(o=-0.97!,f=-3!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.065 K(o=-0.065,f=-0.88) USER MOD Single : A 105 SER OG : rot -51:sc= 0.449 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 51:sc= -1.15 USER MOD Single : A 117 THR OG1 : rot 180:sc=-0.00643 USER MOD Single : A 118 THR OG1 : rot -119:sc= -0.0886 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 121 CYS SG : rot 180:sc=-0.00277 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.321 -24.673 -6.000 1.00 0.00 N ATOM 67 CA ASP A 8 9.467 -23.621 -5.000 1.00 0.00 C ATOM 68 C ASP A 8 10.364 -22.501 -5.517 1.00 0.00 C ATOM 69 O ASP A 8 10.125 -21.326 -5.242 1.00 0.00 O ATOM 70 CB ASP A 8 10.042 -24.196 -3.705 1.00 0.00 C ATOM 71 CG ASP A 8 10.268 -23.131 -2.650 1.00 0.00 C ATOM 72 OD1 ASP A 8 9.421 -22.221 -2.535 1.00 0.00 O ATOM 73 OD2 ASP A 8 11.292 -23.208 -1.938 1.00 0.00 O ATOM 0 HA ASP A 8 8.480 -23.206 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.362 -24.953 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.986 -24.696 -3.921 1.00 0.00 H new ATOM 78 N GLU A 9 11.396 -22.874 -6.266 1.00 0.00 N ATOM 79 CA GLU A 9 12.330 -21.900 -6.819 1.00 0.00 C ATOM 80 C GLU A 9 11.598 -20.636 -7.263 1.00 0.00 C ATOM 81 O GLU A 9 12.037 -19.522 -6.980 1.00 0.00 O ATOM 82 CB GLU A 9 13.091 -22.504 -8.002 1.00 0.00 C ATOM 83 CG GLU A 9 13.915 -23.727 -7.635 1.00 0.00 C ATOM 84 CD GLU A 9 14.798 -24.198 -8.774 1.00 0.00 C ATOM 85 OE1 GLU A 9 15.895 -23.627 -8.948 1.00 0.00 O ATOM 86 OE2 GLU A 9 14.393 -25.136 -9.491 1.00 0.00 O ATOM 0 H GLU A 9 11.607 -23.843 -6.504 1.00 0.00 H new ATOM 0 HA GLU A 9 13.041 -21.632 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.378 -22.777 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.750 -21.746 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.537 -23.496 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.247 -24.536 -7.340 1.00 0.00 H new ATOM 93 N GLU A 10 10.481 -20.820 -7.959 1.00 0.00 N ATOM 94 CA GLU A 10 9.690 -19.695 -8.443 1.00 0.00 C ATOM 95 C GLU A 10 8.965 -19.004 -7.291 1.00 0.00 C ATOM 96 O GLU A 10 8.797 -17.784 -7.289 1.00 0.00 O ATOM 97 CB GLU A 10 8.676 -20.167 -9.487 1.00 0.00 C ATOM 98 CG GLU A 10 9.284 -20.409 -10.859 1.00 0.00 C ATOM 99 CD GLU A 10 8.239 -20.486 -11.955 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.669 -21.578 -12.157 1.00 0.00 O ATOM 101 OE2 GLU A 10 7.990 -19.452 -12.610 1.00 0.00 O ATOM 0 H GLU A 10 10.104 -21.736 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 10 10.370 -18.979 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.209 -21.088 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.885 -19.423 -9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.986 -19.607 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.855 -21.337 -10.841 1.00 0.00 H new ATOM 108 N THR A 11 8.536 -19.794 -6.311 1.00 0.00 N ATOM 109 CA THR A 11 7.827 -19.261 -5.154 1.00 0.00 C ATOM 110 C THR A 11 8.736 -18.369 -4.317 1.00 0.00 C ATOM 111 O THR A 11 8.327 -17.300 -3.862 1.00 0.00 O ATOM 112 CB THR A 11 7.274 -20.390 -4.265 1.00 0.00 C ATOM 113 OG1 THR A 11 6.356 -21.196 -5.011 1.00 0.00 O ATOM 114 CG2 THR A 11 6.576 -19.820 -3.039 1.00 0.00 C ATOM 0 H THR A 11 8.667 -20.805 -6.296 1.00 0.00 H new ATOM 0 HA THR A 11 6.995 -18.670 -5.537 1.00 0.00 H new ATOM 0 HB THR A 11 8.111 -21.005 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.010 -21.913 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.193 -20.636 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.285 -19.231 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.749 -19.184 -3.354 1.00 0.00 H new ATOM 122 N LYS A 12 9.972 -18.813 -4.116 1.00 0.00 N ATOM 123 CA LYS A 12 10.941 -18.054 -3.334 1.00 0.00 C ATOM 124 C LYS A 12 11.135 -16.657 -3.916 1.00 0.00 C ATOM 125 O LYS A 12 10.981 -15.657 -3.216 1.00 0.00 O ATOM 126 CB LYS A 12 12.282 -18.791 -3.292 1.00 0.00 C ATOM 127 CG LYS A 12 12.334 -19.900 -2.255 1.00 0.00 C ATOM 128 CD LYS A 12 13.755 -20.388 -2.032 1.00 0.00 C ATOM 129 CE LYS A 12 14.470 -19.559 -0.976 1.00 0.00 C ATOM 130 NZ LYS A 12 14.877 -18.226 -1.500 1.00 0.00 N ATOM 0 H LYS A 12 10.327 -19.696 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 12 10.555 -17.956 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.485 -19.215 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.075 -18.073 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.920 -19.539 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.709 -20.732 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.738 -21.434 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.309 -20.340 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.816 -19.426 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.352 -20.097 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.748 -17.917 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.048 -18.293 -2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.120 -17.536 -1.320 1.00 0.00 H new ATOM 144 N ALA A 13 11.472 -16.597 -5.200 1.00 0.00 N ATOM 145 CA ALA A 13 11.683 -15.323 -5.876 1.00 0.00 C ATOM 146 C ALA A 13 10.490 -14.394 -5.680 1.00 0.00 C ATOM 147 O ALA A 13 10.647 -13.177 -5.582 1.00 0.00 O ATOM 148 CB ALA A 13 11.942 -15.548 -7.358 1.00 0.00 C ATOM 0 H ALA A 13 11.605 -17.416 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 13 12.558 -14.846 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.098 -14.588 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.830 -16.168 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.084 -16.050 -7.805 1.00 0.00 H new ATOM 154 N PHE A 14 9.296 -14.975 -5.626 1.00 0.00 N ATOM 155 CA PHE A 14 8.075 -14.199 -5.444 1.00 0.00 C ATOM 156 C PHE A 14 7.950 -13.710 -4.004 1.00 0.00 C ATOM 157 O PHE A 14 7.456 -12.612 -3.751 1.00 0.00 O ATOM 158 CB PHE A 14 6.851 -15.038 -5.817 1.00 0.00 C ATOM 159 CG PHE A 14 6.456 -14.913 -7.261 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.066 -13.689 -7.782 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.474 -16.017 -8.097 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.701 -13.571 -9.110 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.111 -15.905 -9.426 1.00 0.00 C ATOM 164 CZ PHE A 14 5.725 -14.680 -9.933 1.00 0.00 C ATOM 0 H PHE A 14 9.148 -15.981 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 14 8.126 -13.331 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.057 -16.085 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.010 -14.738 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.047 -12.818 -7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.775 -16.977 -7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.397 -12.612 -9.504 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.129 -16.774 -10.067 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.442 -14.589 -10.971 1.00 0.00 H new ATOM 174 N GLU A 15 8.402 -14.535 -3.064 1.00 0.00 N ATOM 175 CA GLU A 15 8.340 -14.187 -1.649 1.00 0.00 C ATOM 176 C GLU A 15 9.229 -12.985 -1.345 1.00 0.00 C ATOM 177 O GLU A 15 8.943 -12.201 -0.441 1.00 0.00 O ATOM 178 CB GLU A 15 8.763 -15.380 -0.789 1.00 0.00 C ATOM 179 CG GLU A 15 7.777 -16.535 -0.823 1.00 0.00 C ATOM 180 CD GLU A 15 7.810 -17.367 0.445 1.00 0.00 C ATOM 181 OE1 GLU A 15 8.917 -17.765 0.863 1.00 0.00 O ATOM 182 OE2 GLU A 15 6.730 -17.620 1.017 1.00 0.00 O ATOM 0 H GLU A 15 8.815 -15.448 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 15 7.310 -13.924 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.736 -15.734 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.886 -15.048 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.770 -16.144 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.000 -17.173 -1.678 1.00 0.00 H new ATOM 189 N ALA A 16 10.310 -12.848 -2.107 1.00 0.00 N ATOM 190 CA ALA A 16 11.240 -11.742 -1.920 1.00 0.00 C ATOM 191 C ALA A 16 10.887 -10.568 -2.828 1.00 0.00 C ATOM 192 O ALA A 16 10.859 -9.418 -2.389 1.00 0.00 O ATOM 193 CB ALA A 16 12.667 -12.203 -2.180 1.00 0.00 C ATOM 0 H ALA A 16 10.562 -13.489 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 16 11.162 -11.404 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.351 -11.367 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.923 -13.004 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.750 -12.569 -3.203 1.00 0.00 H new ATOM 199 N LEU A 17 10.620 -10.866 -4.094 1.00 0.00 N ATOM 200 CA LEU A 17 10.270 -9.835 -5.065 1.00 0.00 C ATOM 201 C LEU A 17 9.012 -9.087 -4.635 1.00 0.00 C ATOM 202 O LEU A 17 9.013 -7.860 -4.524 1.00 0.00 O ATOM 203 CB LEU A 17 10.059 -10.457 -6.446 1.00 0.00 C ATOM 204 CG LEU A 17 9.239 -9.630 -7.437 1.00 0.00 C ATOM 205 CD1 LEU A 17 10.103 -8.553 -8.076 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.627 -10.528 -8.503 1.00 0.00 C ATOM 0 H LEU A 17 10.639 -11.813 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 17 11.095 -9.124 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.036 -10.652 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.569 -11.422 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 17 8.430 -9.143 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.503 -7.974 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.493 -7.892 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.933 -9.020 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.047 -9.923 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.421 -11.043 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.975 -11.262 -8.030 1.00 0.00 H new ATOM 218 N LEU A 18 7.940 -9.833 -4.390 1.00 0.00 N ATOM 219 CA LEU A 18 6.675 -9.241 -3.969 1.00 0.00 C ATOM 220 C LEU A 18 6.857 -8.413 -2.701 1.00 0.00 C ATOM 221 O LEU A 18 6.098 -7.479 -2.444 1.00 0.00 O ATOM 222 CB LEU A 18 5.632 -10.335 -3.732 1.00 0.00 C ATOM 223 CG LEU A 18 5.223 -11.149 -4.960 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.462 -12.398 -4.543 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.385 -10.303 -5.907 1.00 0.00 C ATOM 0 H LEU A 18 7.922 -10.849 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 18 6.327 -8.582 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.019 -11.021 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.738 -9.873 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 18 6.127 -11.457 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.179 -12.965 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.096 -13.014 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.565 -12.111 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.103 -10.899 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.486 -9.964 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.965 -9.439 -6.233 1.00 0.00 H new ATOM 237 N SER A 19 7.870 -8.761 -1.913 1.00 0.00 N ATOM 238 CA SER A 19 8.151 -8.051 -0.671 1.00 0.00 C ATOM 239 C SER A 19 9.317 -7.084 -0.850 1.00 0.00 C ATOM 240 O SER A 19 10.028 -6.769 0.103 1.00 0.00 O ATOM 241 CB SER A 19 8.465 -9.045 0.449 1.00 0.00 C ATOM 242 OG SER A 19 7.468 -10.048 0.536 1.00 0.00 O ATOM 0 H SER A 19 8.509 -9.530 -2.113 1.00 0.00 H new ATOM 0 HA SER A 19 7.265 -7.477 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.435 -9.507 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.537 -8.516 1.399 1.00 0.00 H new ATOM 0 HG SER A 19 7.837 -10.904 0.233 1.00 0.00 H new ATOM 248 N ASN A 20 9.505 -6.615 -2.080 1.00 0.00 N ATOM 249 CA ASN A 20 10.585 -5.684 -2.385 1.00 0.00 C ATOM 250 C ASN A 20 10.030 -4.356 -2.891 1.00 0.00 C ATOM 251 O ASN A 20 10.712 -3.618 -3.603 1.00 0.00 O ATOM 252 CB ASN A 20 11.526 -6.287 -3.430 1.00 0.00 C ATOM 253 CG ASN A 20 12.949 -5.783 -3.285 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.267 -5.047 -2.351 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.814 -6.179 -4.212 1.00 0.00 N ATOM 0 H ASN A 20 8.924 -6.864 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 20 11.143 -5.499 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.517 -7.373 -3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.158 -6.047 -4.428 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.786 -5.873 -4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.506 -6.790 -4.969 1.00 0.00 H new ATOM 262 N ILE A 21 8.791 -4.058 -2.518 1.00 0.00 N ATOM 263 CA ILE A 21 8.146 -2.818 -2.932 1.00 0.00 C ATOM 264 C ILE A 21 8.393 -1.705 -1.920 1.00 0.00 C ATOM 265 O ILE A 21 9.104 -1.895 -0.933 1.00 0.00 O ATOM 266 CB ILE A 21 6.627 -3.006 -3.111 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.912 -2.866 -1.765 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.331 -4.361 -3.736 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.337 -3.898 -0.745 1.00 0.00 C ATOM 0 H ILE A 21 8.213 -4.658 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 21 8.585 -2.539 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 21 6.256 -2.230 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.102 -1.871 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.837 -2.946 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.254 -4.479 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.814 -4.425 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.713 -5.151 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.790 -3.738 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.122 -4.896 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.407 -3.805 -0.557 1.00 0.00 H new ATOM 281 N VAL A 22 7.800 -0.542 -2.170 1.00 0.00 N ATOM 282 CA VAL A 22 7.954 0.602 -1.280 1.00 0.00 C ATOM 283 C VAL A 22 6.608 1.045 -0.717 1.00 0.00 C ATOM 284 O VAL A 22 5.597 1.042 -1.420 1.00 0.00 O ATOM 285 CB VAL A 22 8.612 1.793 -2.003 1.00 0.00 C ATOM 286 CG1 VAL A 22 7.782 2.211 -3.207 1.00 0.00 C ATOM 287 CG2 VAL A 22 8.801 2.959 -1.045 1.00 0.00 C ATOM 0 H VAL A 22 7.208 -0.367 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 22 8.600 0.281 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 22 9.594 1.482 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.262 3.053 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.703 1.375 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.785 2.504 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.267 3.791 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.832 3.272 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.440 2.650 -0.218 1.00 0.00 H new ATOM 297 N LYS A 23 6.601 1.426 0.556 1.00 0.00 N ATOM 298 CA LYS A 23 5.380 1.874 1.215 1.00 0.00 C ATOM 299 C LYS A 23 4.647 2.902 0.361 1.00 0.00 C ATOM 300 O LYS A 23 5.256 3.736 -0.309 1.00 0.00 O ATOM 301 CB LYS A 23 5.706 2.472 2.585 1.00 0.00 C ATOM 302 CG LYS A 23 6.383 3.830 2.511 1.00 0.00 C ATOM 303 CD LYS A 23 6.513 4.465 3.885 1.00 0.00 C ATOM 304 CE LYS A 23 7.114 5.859 3.800 1.00 0.00 C ATOM 305 NZ LYS A 23 7.000 6.592 5.092 1.00 0.00 N ATOM 0 H LYS A 23 7.428 1.433 1.152 1.00 0.00 H new ATOM 0 HA LYS A 23 4.730 1.009 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.785 2.566 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.352 1.783 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.372 3.721 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.810 4.488 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.532 4.519 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.138 3.836 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.164 5.785 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.610 6.424 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.839 7.193 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.147 7.187 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.935 5.909 5.874 1.00 0.00 H new ATOM 319 N PRO A 24 3.307 2.845 0.384 1.00 0.00 N ATOM 320 CA PRO A 24 2.461 3.766 -0.381 1.00 0.00 C ATOM 321 C PRO A 24 2.508 5.188 0.168 1.00 0.00 C ATOM 322 O PRO A 24 2.961 5.416 1.289 1.00 0.00 O ATOM 323 CB PRO A 24 1.058 3.176 -0.220 1.00 0.00 C ATOM 324 CG PRO A 24 1.112 2.412 1.057 1.00 0.00 C ATOM 325 CD PRO A 24 2.514 1.877 1.161 1.00 0.00 C ATOM 0 HA PRO A 24 2.785 3.851 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.301 3.960 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.803 2.528 -1.058 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.875 3.054 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.384 1.601 1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.848 1.824 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.592 0.871 0.749 1.00 0.00 H new ATOM 333 N VAL A 25 2.036 6.141 -0.630 1.00 0.00 N ATOM 334 CA VAL A 25 2.023 7.541 -0.223 1.00 0.00 C ATOM 335 C VAL A 25 0.669 8.182 -0.506 1.00 0.00 C ATOM 336 O VAL A 25 0.029 7.886 -1.514 1.00 0.00 O ATOM 337 CB VAL A 25 3.121 8.346 -0.944 1.00 0.00 C ATOM 338 CG1 VAL A 25 2.829 9.837 -0.865 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.487 8.030 -0.354 1.00 0.00 C ATOM 0 H VAL A 25 1.658 5.969 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 25 2.215 7.561 0.850 1.00 0.00 H new ATOM 0 HB VAL A 25 3.129 8.057 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.615 10.389 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.870 10.045 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.793 10.146 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.251 8.607 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.495 8.290 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.695 6.966 -0.468 1.00 0.00 H new ATOM 349 N ALA A 26 0.239 9.064 0.391 1.00 0.00 N ATOM 350 CA ALA A 26 -1.037 9.750 0.237 1.00 0.00 C ATOM 351 C ALA A 26 -0.840 11.161 -0.307 1.00 0.00 C ATOM 352 O ALA A 26 0.119 11.845 0.049 1.00 0.00 O ATOM 353 CB ALA A 26 -1.778 9.793 1.565 1.00 0.00 C ATOM 0 H ALA A 26 0.756 9.320 1.232 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.636 9.192 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.729 10.309 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.961 8.776 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.175 10.325 2.301 1.00 0.00 H new ATOM 359 N SER A 27 -1.755 11.591 -1.171 1.00 0.00 N ATOM 360 CA SER A 27 -1.678 12.920 -1.767 1.00 0.00 C ATOM 361 C SER A 27 -3.039 13.610 -1.731 1.00 0.00 C ATOM 362 O SER A 27 -3.270 14.508 -0.921 1.00 0.00 O ATOM 363 CB SER A 27 -1.179 12.827 -3.210 1.00 0.00 C ATOM 364 OG SER A 27 0.076 12.170 -3.274 1.00 0.00 O ATOM 0 H SER A 27 -2.557 11.039 -1.473 1.00 0.00 H new ATOM 0 HA SER A 27 -0.973 13.513 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.907 12.287 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.091 13.828 -3.633 1.00 0.00 H new ATOM 0 HG SER A 27 0.373 12.122 -4.207 1.00 0.00 H new ATOM 370 N ASP A 28 -3.934 13.184 -2.615 1.00 0.00 N ATOM 371 CA ASP A 28 -5.273 13.759 -2.685 1.00 0.00 C ATOM 372 C ASP A 28 -6.139 13.262 -1.532 1.00 0.00 C ATOM 373 O ASP A 28 -7.207 12.689 -1.748 1.00 0.00 O ATOM 374 CB ASP A 28 -5.931 13.411 -4.021 1.00 0.00 C ATOM 375 CG ASP A 28 -6.904 14.478 -4.483 1.00 0.00 C ATOM 376 OD1 ASP A 28 -7.636 15.022 -3.630 1.00 0.00 O ATOM 377 OD2 ASP A 28 -6.932 14.769 -5.696 1.00 0.00 O ATOM 0 H ASP A 28 -3.757 12.443 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.181 14.842 -2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.159 13.275 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.456 12.461 -3.927 1.00 0.00 H new ATOM 382 N ILE A 29 -5.671 13.484 -0.309 1.00 0.00 N ATOM 383 CA ILE A 29 -6.403 13.059 0.878 1.00 0.00 C ATOM 384 C ILE A 29 -7.651 13.910 1.088 1.00 0.00 C ATOM 385 O ILE A 29 -7.558 15.107 1.358 1.00 0.00 O ATOM 386 CB ILE A 29 -5.524 13.136 2.140 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.289 12.245 1.983 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.324 12.729 3.368 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.095 12.723 2.779 1.00 0.00 C ATOM 0 H ILE A 29 -4.788 13.956 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.696 12.022 0.713 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.192 14.166 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.540 11.231 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.017 12.197 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.689 12.788 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.175 13.400 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.682 11.707 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.257 12.045 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.818 13.725 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.349 12.744 3.839 1.00 0.00 H new ATOM 401 N GLN A 30 -8.816 13.283 0.965 1.00 0.00 N ATOM 402 CA GLN A 30 -10.083 13.983 1.143 1.00 0.00 C ATOM 403 C GLN A 30 -10.845 13.433 2.344 1.00 0.00 C ATOM 404 O GLN A 30 -10.335 12.589 3.081 1.00 0.00 O ATOM 405 CB GLN A 30 -10.939 13.861 -0.119 1.00 0.00 C ATOM 406 CG GLN A 30 -10.765 15.021 -1.086 1.00 0.00 C ATOM 407 CD GLN A 30 -10.980 14.614 -2.530 1.00 0.00 C ATOM 408 OE1 GLN A 30 -12.063 14.800 -3.085 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.946 14.055 -3.148 1.00 0.00 N ATOM 0 H GLN A 30 -8.909 12.292 0.743 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.865 15.035 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.688 12.932 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.988 13.793 0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.468 15.813 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.763 15.435 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.066 13.920 -2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.031 13.761 -4.121 1.00 0.00 H new ATOM 418 N ALA A 31 -12.068 13.916 2.535 1.00 0.00 N ATOM 419 CA ALA A 31 -12.901 13.472 3.645 1.00 0.00 C ATOM 420 C ALA A 31 -12.649 12.002 3.966 1.00 0.00 C ATOM 421 O ALA A 31 -12.053 11.674 4.992 1.00 0.00 O ATOM 422 CB ALA A 31 -14.371 13.700 3.327 1.00 0.00 C ATOM 0 H ALA A 31 -12.504 14.616 1.934 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.636 14.060 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.981 13.364 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.545 14.762 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.641 13.138 2.433 1.00 0.00 H new ATOM 428 N ARG A 32 -13.108 11.122 3.082 1.00 0.00 N ATOM 429 CA ARG A 32 -12.934 9.687 3.273 1.00 0.00 C ATOM 430 C ARG A 32 -12.139 9.078 2.121 1.00 0.00 C ATOM 431 O ARG A 32 -11.505 8.033 2.273 1.00 0.00 O ATOM 432 CB ARG A 32 -14.295 8.997 3.388 1.00 0.00 C ATOM 433 CG ARG A 32 -15.355 9.851 4.063 1.00 0.00 C ATOM 434 CD ARG A 32 -16.749 9.284 3.846 1.00 0.00 C ATOM 435 NE ARG A 32 -17.649 9.607 4.949 1.00 0.00 N ATOM 436 CZ ARG A 32 -18.920 9.223 4.998 1.00 0.00 C ATOM 437 NH1 ARG A 32 -19.437 8.504 4.011 1.00 0.00 N ATOM 438 NH2 ARG A 32 -19.676 9.556 6.036 1.00 0.00 N ATOM 0 H ARG A 32 -13.603 11.377 2.227 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.377 9.534 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.640 8.725 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.177 8.070 3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.148 9.912 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.309 10.867 3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.160 9.677 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.687 8.202 3.734 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.282 10.158 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.859 8.245 3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.413 8.210 4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.282 10.108 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.652 9.260 6.072 1.00 0.00 H new ATOM 452 N THR A 33 -12.177 9.738 0.968 1.00 0.00 N ATOM 453 CA THR A 33 -11.462 9.262 -0.209 1.00 0.00 C ATOM 454 C THR A 33 -10.076 9.890 -0.303 1.00 0.00 C ATOM 455 O THR A 33 -9.883 11.050 0.064 1.00 0.00 O ATOM 456 CB THR A 33 -12.241 9.570 -1.502 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.778 10.896 -1.447 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.368 8.569 -1.705 1.00 0.00 C ATOM 0 H THR A 33 -12.696 10.604 0.824 1.00 0.00 H new ATOM 0 HA THR A 33 -11.362 8.182 -0.102 1.00 0.00 H new ATOM 0 HB THR A 33 -11.551 9.493 -2.343 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.270 11.084 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.904 8.806 -2.624 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.953 7.564 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.055 8.619 -0.861 1.00 0.00 H new ATOM 466 N VAL A 34 -9.113 9.118 -0.797 1.00 0.00 N ATOM 467 CA VAL A 34 -7.745 9.600 -0.940 1.00 0.00 C ATOM 468 C VAL A 34 -7.052 8.941 -2.127 1.00 0.00 C ATOM 469 O VAL A 34 -7.481 7.891 -2.606 1.00 0.00 O ATOM 470 CB VAL A 34 -6.920 9.336 0.333 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.759 9.595 1.576 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.379 7.915 0.332 1.00 0.00 C ATOM 0 H VAL A 34 -9.255 8.156 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.805 10.675 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.073 10.022 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.160 9.403 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.093 10.633 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.626 8.935 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.798 7.746 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.209 7.210 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.741 7.769 -0.540 1.00 0.00 H new ATOM 482 N VAL A 35 -5.976 9.564 -2.599 1.00 0.00 N ATOM 483 CA VAL A 35 -5.221 9.037 -3.729 1.00 0.00 C ATOM 484 C VAL A 35 -3.888 8.454 -3.276 1.00 0.00 C ATOM 485 O VAL A 35 -2.925 9.185 -3.041 1.00 0.00 O ATOM 486 CB VAL A 35 -4.960 10.126 -4.786 1.00 0.00 C ATOM 487 CG1 VAL A 35 -4.017 9.610 -5.863 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.270 10.601 -5.396 1.00 0.00 C ATOM 0 H VAL A 35 -5.608 10.435 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.827 8.247 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.484 10.976 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.844 10.393 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.068 9.323 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.462 8.743 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.067 11.370 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.776 9.761 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.907 11.013 -4.614 1.00 0.00 H new ATOM 498 N LEU A 36 -3.837 7.132 -3.154 1.00 0.00 N ATOM 499 CA LEU A 36 -2.620 6.449 -2.728 1.00 0.00 C ATOM 500 C LEU A 36 -1.778 6.037 -3.932 1.00 0.00 C ATOM 501 O LEU A 36 -2.261 5.360 -4.840 1.00 0.00 O ATOM 502 CB LEU A 36 -2.970 5.217 -1.891 1.00 0.00 C ATOM 503 CG LEU A 36 -1.856 4.679 -0.992 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.526 5.678 0.106 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.256 3.338 -0.393 1.00 0.00 C ATOM 0 H LEU A 36 -4.624 6.512 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.038 7.141 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.829 5.459 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.282 4.420 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.964 4.532 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.731 5.278 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.196 6.615 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.413 5.858 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.452 2.970 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.162 3.460 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.441 2.622 -1.194 1.00 0.00 H new ATOM 517 N THR A 37 -0.514 6.449 -3.931 1.00 0.00 N ATOM 518 CA THR A 37 0.397 6.124 -5.021 1.00 0.00 C ATOM 519 C THR A 37 1.618 5.367 -4.511 1.00 0.00 C ATOM 520 O THR A 37 2.337 5.849 -3.636 1.00 0.00 O ATOM 521 CB THR A 37 0.865 7.391 -5.760 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.223 8.313 -5.889 1.00 0.00 O ATOM 523 CG2 THR A 37 1.408 7.045 -7.139 1.00 0.00 C ATOM 0 H THR A 37 -0.098 7.009 -3.187 1.00 0.00 H new ATOM 0 HA THR A 37 -0.156 5.491 -5.715 1.00 0.00 H new ATOM 0 HB THR A 37 1.663 7.850 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.083 9.117 -6.359 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.732 7.956 -7.642 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.255 6.366 -7.037 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.627 6.564 -7.728 1.00 0.00 H new ATOM 531 N TRP A 38 1.846 4.181 -5.062 1.00 0.00 N ATOM 532 CA TRP A 38 2.981 3.358 -4.662 1.00 0.00 C ATOM 533 C TRP A 38 3.691 2.779 -5.881 1.00 0.00 C ATOM 534 O TRP A 38 3.080 2.586 -6.932 1.00 0.00 O ATOM 535 CB TRP A 38 2.519 2.227 -3.741 1.00 0.00 C ATOM 536 CG TRP A 38 1.629 1.232 -4.423 1.00 0.00 C ATOM 537 CD1 TRP A 38 2.019 0.210 -5.241 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.201 1.166 -4.347 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.918 -0.487 -5.679 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.209 0.079 -5.144 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.771 1.918 -3.683 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.548 -0.272 -5.293 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.100 1.569 -3.832 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.479 0.482 -4.631 1.00 0.00 C ATOM 0 H TRP A 38 1.260 3.767 -5.787 1.00 0.00 H new ATOM 0 HA TRP A 38 3.684 3.992 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.393 1.710 -3.345 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.989 2.655 -2.890 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.041 -0.017 -5.505 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.937 -1.295 -6.302 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.489 2.757 -3.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.842 -1.109 -5.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.860 2.144 -3.324 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.526 0.234 -4.726 1.00 0.00 H new ATOM 555 N SER A 39 4.983 2.504 -5.733 1.00 0.00 N ATOM 556 CA SER A 39 5.776 1.950 -6.825 1.00 0.00 C ATOM 557 C SER A 39 5.876 0.432 -6.707 1.00 0.00 C ATOM 558 O SER A 39 5.793 -0.139 -5.620 1.00 0.00 O ATOM 559 CB SER A 39 7.176 2.566 -6.829 1.00 0.00 C ATOM 560 OG SER A 39 7.166 3.851 -7.427 1.00 0.00 O ATOM 0 H SER A 39 5.503 2.655 -4.869 1.00 0.00 H new ATOM 0 HA SER A 39 5.277 2.192 -7.764 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.547 2.640 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.862 1.915 -7.371 1.00 0.00 H new ATOM 0 HG SER A 39 8.072 4.224 -7.416 1.00 0.00 H new ATOM 566 N PRO A 40 6.060 -0.238 -7.855 1.00 0.00 N ATOM 567 CA PRO A 40 6.176 -1.699 -7.908 1.00 0.00 C ATOM 568 C PRO A 40 7.479 -2.199 -7.294 1.00 0.00 C ATOM 569 O PRO A 40 8.409 -1.433 -7.042 1.00 0.00 O ATOM 570 CB PRO A 40 6.141 -2.002 -9.408 1.00 0.00 C ATOM 571 CG PRO A 40 6.634 -0.756 -10.059 1.00 0.00 C ATOM 572 CD PRO A 40 6.168 0.378 -9.188 1.00 0.00 C ATOM 0 HA PRO A 40 5.387 -2.192 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.774 -2.854 -9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.132 -2.248 -9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.721 -0.763 -10.142 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.237 -0.660 -11.070 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.877 1.206 -9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.211 0.777 -9.525 1.00 0.00 H new ATOM 580 N PRO A 41 7.549 -3.515 -7.046 1.00 0.00 N ATOM 581 CA PRO A 41 8.734 -4.148 -6.458 1.00 0.00 C ATOM 582 C PRO A 41 9.918 -4.165 -7.419 1.00 0.00 C ATOM 583 O PRO A 41 9.743 -4.126 -8.637 1.00 0.00 O ATOM 584 CB PRO A 41 8.265 -5.574 -6.162 1.00 0.00 C ATOM 585 CG PRO A 41 7.156 -5.816 -7.127 1.00 0.00 C ATOM 586 CD PRO A 41 6.478 -4.488 -7.321 1.00 0.00 C ATOM 0 HA PRO A 41 9.089 -3.611 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.073 -6.293 -6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.922 -5.672 -5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.539 -6.201 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.457 -6.558 -6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.087 -4.380 -8.333 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.637 -4.363 -6.639 1.00 0.00 H new ATOM 594 N SER A 42 11.124 -4.226 -6.863 1.00 0.00 N ATOM 595 CA SER A 42 12.338 -4.245 -7.671 1.00 0.00 C ATOM 596 C SER A 42 12.917 -5.655 -7.747 1.00 0.00 C ATOM 597 O SER A 42 13.335 -6.222 -6.738 1.00 0.00 O ATOM 598 CB SER A 42 13.378 -3.285 -7.091 1.00 0.00 C ATOM 599 OG SER A 42 12.961 -1.938 -7.228 1.00 0.00 O ATOM 0 H SER A 42 11.286 -4.263 -5.857 1.00 0.00 H new ATOM 0 HA SER A 42 12.079 -3.922 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.541 -3.513 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.332 -3.427 -7.599 1.00 0.00 H new ATOM 0 HG SER A 42 13.642 -1.344 -6.848 1.00 0.00 H new ATOM 605 N SER A 43 12.939 -6.215 -8.953 1.00 0.00 N ATOM 606 CA SER A 43 13.463 -7.559 -9.162 1.00 0.00 C ATOM 607 C SER A 43 14.970 -7.597 -8.931 1.00 0.00 C ATOM 608 O SER A 43 15.723 -6.840 -9.544 1.00 0.00 O ATOM 609 CB SER A 43 13.140 -8.041 -10.578 1.00 0.00 C ATOM 610 OG SER A 43 13.737 -7.200 -11.550 1.00 0.00 O ATOM 0 H SER A 43 12.600 -5.758 -9.800 1.00 0.00 H new ATOM 0 HA SER A 43 12.986 -8.224 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.496 -9.063 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.060 -8.059 -10.722 1.00 0.00 H new ATOM 0 HG SER A 43 14.559 -6.811 -11.185 1.00 0.00 H new ATOM 616 N LEU A 44 15.404 -8.483 -8.041 1.00 0.00 N ATOM 617 CA LEU A 44 16.822 -8.621 -7.727 1.00 0.00 C ATOM 618 C LEU A 44 17.433 -9.802 -8.475 1.00 0.00 C ATOM 619 O LEU A 44 18.488 -10.310 -8.096 1.00 0.00 O ATOM 620 CB LEU A 44 17.016 -8.802 -6.221 1.00 0.00 C ATOM 621 CG LEU A 44 16.355 -7.751 -5.328 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.392 -8.188 -3.872 1.00 0.00 C ATOM 623 CD2 LEU A 44 17.037 -6.401 -5.499 1.00 0.00 C ATOM 0 H LEU A 44 14.794 -9.117 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 44 17.329 -7.710 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.631 -9.782 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 44 18.086 -8.808 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 44 15.312 -7.650 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.917 -7.428 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.858 -9.132 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.427 -8.318 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.554 -5.665 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 18.088 -6.487 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.958 -6.082 -6.538 1.00 0.00 H new ATOM 635 N ILE A 45 16.764 -10.231 -9.540 1.00 0.00 N ATOM 636 CA ILE A 45 17.243 -11.349 -10.343 1.00 0.00 C ATOM 637 C ILE A 45 18.606 -11.042 -10.954 1.00 0.00 C ATOM 638 O ILE A 45 19.285 -11.934 -11.460 1.00 0.00 O ATOM 639 CB ILE A 45 16.253 -11.697 -11.471 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.841 -11.863 -10.907 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.695 -12.962 -12.191 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.810 -12.220 -11.955 1.00 0.00 C ATOM 0 H ILE A 45 15.889 -9.821 -9.867 1.00 0.00 H new ATOM 0 HA ILE A 45 17.332 -12.204 -9.673 1.00 0.00 H new ATOM 0 HB ILE A 45 16.242 -10.878 -12.190 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.853 -12.639 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.543 -10.936 -10.417 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.986 -13.195 -12.985 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.685 -12.809 -12.622 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.732 -13.790 -11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.832 -12.322 -11.484 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.769 -11.433 -12.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.084 -13.162 -12.429 1.00 0.00 H new ATOM 654 N ASN A 46 19.000 -9.774 -10.902 1.00 0.00 N ATOM 655 CA ASN A 46 20.283 -9.349 -11.450 1.00 0.00 C ATOM 656 C ASN A 46 20.262 -9.385 -12.975 1.00 0.00 C ATOM 657 O ASN A 46 21.299 -9.551 -13.617 1.00 0.00 O ATOM 658 CB ASN A 46 21.407 -10.243 -10.923 1.00 0.00 C ATOM 659 CG ASN A 46 21.176 -10.678 -9.488 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.810 -9.869 -8.634 1.00 0.00 O ATOM 661 ND2 ASN A 46 21.388 -11.960 -9.217 1.00 0.00 N ATOM 0 H ASN A 46 18.449 -9.023 -10.486 1.00 0.00 H new ATOM 0 HA ASN A 46 20.464 -8.323 -11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.494 -11.125 -11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.354 -9.708 -10.990 1.00 0.00 H new ATOM 0 HD21 ASN A 46 21.248 -12.311 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.691 -12.594 -9.956 1.00 0.00 H new ATOM 668 N GLY A 47 19.074 -9.228 -13.549 1.00 0.00 N ATOM 669 CA GLY A 47 18.940 -9.246 -14.994 1.00 0.00 C ATOM 670 C GLY A 47 19.022 -10.646 -15.568 1.00 0.00 C ATOM 671 O GLY A 47 18.817 -10.847 -16.764 1.00 0.00 O ATOM 0 H GLY A 47 18.201 -9.089 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.986 -8.798 -15.273 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.723 -8.629 -15.436 1.00 0.00 H new ATOM 675 N GLU A 48 19.326 -11.617 -14.712 1.00 0.00 N ATOM 676 CA GLU A 48 19.437 -13.006 -15.142 1.00 0.00 C ATOM 677 C GLU A 48 18.258 -13.398 -16.028 1.00 0.00 C ATOM 678 O GLU A 48 18.334 -14.359 -16.794 1.00 0.00 O ATOM 679 CB GLU A 48 19.508 -13.935 -13.928 1.00 0.00 C ATOM 680 CG GLU A 48 20.302 -15.206 -14.180 1.00 0.00 C ATOM 681 CD GLU A 48 20.213 -16.188 -13.027 1.00 0.00 C ATOM 682 OE1 GLU A 48 19.160 -16.844 -12.887 1.00 0.00 O ATOM 683 OE2 GLU A 48 21.196 -16.299 -12.266 1.00 0.00 O ATOM 0 H GLU A 48 19.500 -11.467 -13.718 1.00 0.00 H new ATOM 0 HA GLU A 48 20.354 -13.107 -15.722 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.957 -13.396 -13.094 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.495 -14.203 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.936 -15.684 -15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.347 -14.949 -14.353 1.00 0.00 H new ATOM 690 N THR A 49 17.167 -12.646 -15.918 1.00 0.00 N ATOM 691 CA THR A 49 15.971 -12.915 -16.707 1.00 0.00 C ATOM 692 C THR A 49 15.642 -11.741 -17.622 1.00 0.00 C ATOM 693 O THR A 49 16.129 -10.629 -17.421 1.00 0.00 O ATOM 694 CB THR A 49 14.757 -13.204 -15.804 1.00 0.00 C ATOM 695 OG1 THR A 49 13.807 -14.014 -16.506 1.00 0.00 O ATOM 696 CG2 THR A 49 14.095 -11.910 -15.357 1.00 0.00 C ATOM 0 H THR A 49 17.087 -11.846 -15.290 1.00 0.00 H new ATOM 0 HA THR A 49 16.182 -13.796 -17.313 1.00 0.00 H new ATOM 0 HB THR A 49 15.108 -13.738 -14.921 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.039 -14.195 -15.925 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.240 -12.139 -14.721 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.812 -11.308 -14.799 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.757 -11.353 -16.231 1.00 0.00 H new ATOM 704 N ASP A 50 14.812 -11.997 -18.628 1.00 0.00 N ATOM 705 CA ASP A 50 14.416 -10.960 -19.574 1.00 0.00 C ATOM 706 C ASP A 50 13.815 -9.762 -18.847 1.00 0.00 C ATOM 707 O ASP A 50 13.799 -9.714 -17.618 1.00 0.00 O ATOM 708 CB ASP A 50 13.410 -11.518 -20.582 1.00 0.00 C ATOM 709 CG ASP A 50 13.462 -10.794 -21.913 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.458 -10.083 -22.162 1.00 0.00 O ATOM 711 OD2 ASP A 50 12.508 -10.939 -22.706 1.00 0.00 O ATOM 0 H ASP A 50 14.401 -12.913 -18.809 1.00 0.00 H new ATOM 0 HA ASP A 50 15.307 -10.629 -20.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.609 -12.578 -20.740 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.404 -11.440 -20.168 1.00 0.00 H new ATOM 716 N GLU A 51 13.323 -8.795 -19.616 1.00 0.00 N ATOM 717 CA GLU A 51 12.723 -7.595 -19.044 1.00 0.00 C ATOM 718 C GLU A 51 11.200 -7.674 -19.089 1.00 0.00 C ATOM 719 O GLU A 51 10.516 -7.202 -18.181 1.00 0.00 O ATOM 720 CB GLU A 51 13.203 -6.351 -19.794 1.00 0.00 C ATOM 721 CG GLU A 51 12.824 -6.343 -21.265 1.00 0.00 C ATOM 722 CD GLU A 51 13.107 -5.012 -21.933 1.00 0.00 C ATOM 723 OE1 GLU A 51 14.244 -4.513 -21.802 1.00 0.00 O ATOM 724 OE2 GLU A 51 12.192 -4.469 -22.587 1.00 0.00 O ATOM 0 H GLU A 51 13.328 -8.819 -20.636 1.00 0.00 H new ATOM 0 HA GLU A 51 13.035 -7.525 -18.002 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.786 -5.465 -19.315 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.287 -6.280 -19.706 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.374 -7.129 -21.782 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.764 -6.577 -21.365 1.00 0.00 H new ATOM 731 N SER A 52 10.675 -8.274 -20.153 1.00 0.00 N ATOM 732 CA SER A 52 9.233 -8.411 -20.320 1.00 0.00 C ATOM 733 C SER A 52 8.761 -9.785 -19.855 1.00 0.00 C ATOM 734 O SER A 52 7.908 -10.408 -20.488 1.00 0.00 O ATOM 735 CB SER A 52 8.845 -8.195 -21.784 1.00 0.00 C ATOM 736 OG SER A 52 7.454 -7.958 -21.913 1.00 0.00 O ATOM 0 H SER A 52 11.227 -8.673 -20.912 1.00 0.00 H new ATOM 0 HA SER A 52 8.747 -7.652 -19.707 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.400 -7.349 -22.190 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.124 -9.070 -22.370 1.00 0.00 H new ATOM 0 HG SER A 52 6.957 -8.710 -21.529 1.00 0.00 H new ATOM 742 N SER A 53 9.322 -10.252 -18.744 1.00 0.00 N ATOM 743 CA SER A 53 8.962 -11.554 -18.195 1.00 0.00 C ATOM 744 C SER A 53 8.200 -11.398 -16.883 1.00 0.00 C ATOM 745 O SER A 53 7.141 -11.996 -16.692 1.00 0.00 O ATOM 746 CB SER A 53 10.216 -12.402 -17.972 1.00 0.00 C ATOM 747 OG SER A 53 10.943 -11.949 -16.843 1.00 0.00 O ATOM 0 H SER A 53 10.027 -9.748 -18.207 1.00 0.00 H new ATOM 0 HA SER A 53 8.315 -12.057 -18.913 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.933 -13.445 -17.832 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.850 -12.360 -18.858 1.00 0.00 H new ATOM 0 HG SER A 53 11.739 -12.508 -16.721 1.00 0.00 H new ATOM 753 N VAL A 54 8.747 -10.590 -15.980 1.00 0.00 N ATOM 754 CA VAL A 54 8.119 -10.353 -14.686 1.00 0.00 C ATOM 755 C VAL A 54 6.758 -9.687 -14.849 1.00 0.00 C ATOM 756 O VAL A 54 6.590 -8.743 -15.621 1.00 0.00 O ATOM 757 CB VAL A 54 9.005 -9.472 -13.785 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.242 -10.238 -13.340 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.392 -8.191 -14.508 1.00 0.00 C ATOM 0 H VAL A 54 9.624 -10.089 -16.121 1.00 0.00 H new ATOM 0 HA VAL A 54 7.989 -11.327 -14.214 1.00 0.00 H new ATOM 0 HB VAL A 54 8.435 -9.202 -12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.856 -9.600 -12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.940 -11.124 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.817 -10.540 -14.215 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.018 -7.581 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.944 -8.438 -15.415 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.492 -7.635 -14.771 1.00 0.00 H new ATOM 769 N PRO A 55 5.761 -10.187 -14.104 1.00 0.00 N ATOM 770 CA PRO A 55 4.396 -9.654 -14.148 1.00 0.00 C ATOM 771 C PRO A 55 4.295 -8.266 -13.525 1.00 0.00 C ATOM 772 O PRO A 55 5.218 -7.811 -12.850 1.00 0.00 O ATOM 773 CB PRO A 55 3.593 -10.668 -13.328 1.00 0.00 C ATOM 774 CG PRO A 55 4.589 -11.284 -12.407 1.00 0.00 C ATOM 775 CD PRO A 55 5.889 -11.311 -13.162 1.00 0.00 C ATOM 0 HA PRO A 55 4.039 -9.533 -15.171 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.790 -10.182 -12.774 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.130 -11.418 -13.969 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.683 -10.704 -11.489 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.284 -12.290 -12.119 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.743 -11.182 -12.497 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.031 -12.258 -13.683 1.00 0.00 H new ATOM 783 N GLU A 56 3.169 -7.599 -13.756 1.00 0.00 N ATOM 784 CA GLU A 56 2.950 -6.262 -13.217 1.00 0.00 C ATOM 785 C GLU A 56 1.558 -6.145 -12.602 1.00 0.00 C ATOM 786 O GLU A 56 1.049 -5.042 -12.394 1.00 0.00 O ATOM 787 CB GLU A 56 3.124 -5.210 -14.315 1.00 0.00 C ATOM 788 CG GLU A 56 1.917 -5.078 -15.228 1.00 0.00 C ATOM 789 CD GLU A 56 2.041 -3.916 -16.194 1.00 0.00 C ATOM 790 OE1 GLU A 56 2.712 -4.080 -17.235 1.00 0.00 O ATOM 791 OE2 GLU A 56 1.468 -2.843 -15.911 1.00 0.00 O ATOM 0 H GLU A 56 2.395 -7.962 -14.312 1.00 0.00 H new ATOM 0 HA GLU A 56 3.690 -6.087 -12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.326 -4.244 -13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.997 -5.465 -14.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.790 -6.002 -15.792 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.020 -4.948 -14.622 1.00 0.00 H new ATOM 798 N LEU A 57 0.947 -7.289 -12.313 1.00 0.00 N ATOM 799 CA LEU A 57 -0.386 -7.316 -11.722 1.00 0.00 C ATOM 800 C LEU A 57 -0.322 -7.721 -10.253 1.00 0.00 C ATOM 801 O LEU A 57 -1.303 -8.208 -9.689 1.00 0.00 O ATOM 802 CB LEU A 57 -1.286 -8.285 -12.491 1.00 0.00 C ATOM 803 CG LEU A 57 -1.523 -7.955 -13.965 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.809 -6.472 -14.141 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.323 -8.372 -14.804 1.00 0.00 C ATOM 0 H LEU A 57 1.354 -8.210 -12.478 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.805 -6.312 -11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.850 -9.282 -12.428 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.253 -8.328 -11.989 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.393 -8.515 -14.308 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.975 -6.256 -15.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.698 -6.203 -13.571 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.959 -5.892 -13.782 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.509 -8.130 -15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.564 -7.840 -14.460 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.164 -9.446 -14.703 1.00 0.00 H new ATOM 817 N TYR A 58 0.837 -7.513 -9.638 1.00 0.00 N ATOM 818 CA TYR A 58 1.029 -7.857 -8.234 1.00 0.00 C ATOM 819 C TYR A 58 -0.118 -7.323 -7.381 1.00 0.00 C ATOM 820 O TYR A 58 -0.153 -6.142 -7.036 1.00 0.00 O ATOM 821 CB TYR A 58 2.359 -7.297 -7.728 1.00 0.00 C ATOM 822 CG TYR A 58 3.551 -7.735 -8.548 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.859 -9.081 -8.701 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.369 -6.801 -9.173 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.948 -9.484 -9.449 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.459 -7.196 -9.925 1.00 0.00 C ATOM 827 CZ TYR A 58 5.745 -8.538 -10.059 1.00 0.00 C ATOM 828 OH TYR A 58 6.829 -8.937 -10.807 1.00 0.00 O ATOM 0 H TYR A 58 1.657 -7.108 -10.089 1.00 0.00 H new ATOM 0 HA TYR A 58 1.045 -8.944 -8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.309 -6.208 -7.728 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.505 -7.609 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.236 -9.825 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.149 -5.749 -9.069 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.174 -10.535 -9.556 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.084 -6.457 -10.405 1.00 0.00 H new ATOM 0 HH TYR A 58 6.680 -8.707 -11.748 1.00 0.00 H new ATOM 838 N GLY A 59 -1.056 -8.203 -7.043 1.00 0.00 N ATOM 839 CA GLY A 59 -2.191 -7.803 -6.233 1.00 0.00 C ATOM 840 C GLY A 59 -1.784 -6.963 -5.038 1.00 0.00 C ATOM 841 O GLY A 59 -1.258 -7.485 -4.054 1.00 0.00 O ATOM 0 H GLY A 59 -1.050 -9.186 -7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.891 -7.238 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.717 -8.692 -5.886 1.00 0.00 H new ATOM 845 N TYR A 60 -2.025 -5.660 -5.123 1.00 0.00 N ATOM 846 CA TYR A 60 -1.676 -4.746 -4.041 1.00 0.00 C ATOM 847 C TYR A 60 -2.859 -4.537 -3.101 1.00 0.00 C ATOM 848 O TYR A 60 -3.884 -3.980 -3.491 1.00 0.00 O ATOM 849 CB TYR A 60 -1.219 -3.401 -4.610 1.00 0.00 C ATOM 850 CG TYR A 60 -0.121 -3.522 -5.642 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.125 -4.037 -5.303 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.328 -3.121 -6.956 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.131 -4.149 -6.243 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.672 -3.231 -7.903 1.00 0.00 C ATOM 855 CZ TYR A 60 1.900 -3.745 -7.541 1.00 0.00 C ATOM 856 OH TYR A 60 2.899 -3.854 -8.481 1.00 0.00 O ATOM 0 H TYR A 60 -2.460 -5.212 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.859 -5.190 -3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.074 -2.897 -5.059 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.870 -2.770 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.310 -4.355 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.287 -2.716 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.093 -4.551 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.493 -2.916 -8.921 1.00 0.00 H new ATOM 0 HH TYR A 60 2.572 -3.527 -9.345 1.00 0.00 H new ATOM 866 N GLU A 61 -2.707 -4.989 -1.860 1.00 0.00 N ATOM 867 CA GLU A 61 -3.762 -4.852 -0.863 1.00 0.00 C ATOM 868 C GLU A 61 -3.420 -3.760 0.145 1.00 0.00 C ATOM 869 O GLU A 61 -2.343 -3.766 0.743 1.00 0.00 O ATOM 870 CB GLU A 61 -3.984 -6.181 -0.137 1.00 0.00 C ATOM 871 CG GLU A 61 -4.940 -6.079 1.040 1.00 0.00 C ATOM 872 CD GLU A 61 -5.265 -7.431 1.645 1.00 0.00 C ATOM 873 OE1 GLU A 61 -6.090 -8.161 1.057 1.00 0.00 O ATOM 874 OE2 GLU A 61 -4.696 -7.759 2.707 1.00 0.00 O ATOM 0 H GLU A 61 -1.864 -5.453 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.680 -4.571 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.371 -6.913 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.024 -6.557 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.502 -5.438 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.863 -5.600 0.713 1.00 0.00 H new ATOM 881 N VAL A 62 -4.344 -2.822 0.330 1.00 0.00 N ATOM 882 CA VAL A 62 -4.142 -1.723 1.266 1.00 0.00 C ATOM 883 C VAL A 62 -4.609 -2.101 2.667 1.00 0.00 C ATOM 884 O VAL A 62 -5.764 -2.479 2.867 1.00 0.00 O ATOM 885 CB VAL A 62 -4.889 -0.454 0.812 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.648 0.686 1.789 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.464 -0.061 -0.595 1.00 0.00 C ATOM 0 H VAL A 62 -5.240 -2.802 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.072 -1.518 1.286 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.958 -0.668 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.183 1.574 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.007 0.400 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.581 0.903 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.001 0.837 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.392 0.135 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.694 -0.873 -1.285 1.00 0.00 H new ATOM 897 N LEU A 63 -3.704 -1.996 3.634 1.00 0.00 N ATOM 898 CA LEU A 63 -4.023 -2.326 5.019 1.00 0.00 C ATOM 899 C LEU A 63 -3.957 -1.085 5.904 1.00 0.00 C ATOM 900 O LEU A 63 -2.895 -0.483 6.066 1.00 0.00 O ATOM 901 CB LEU A 63 -3.061 -3.393 5.544 1.00 0.00 C ATOM 902 CG LEU A 63 -2.829 -4.596 4.629 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.540 -5.311 5.003 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.011 -5.553 4.697 1.00 0.00 C ATOM 0 H LEU A 63 -2.744 -1.685 3.485 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.040 -2.717 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.099 -2.921 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.439 -3.756 6.500 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.736 -4.236 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.392 -6.164 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.700 -4.623 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.603 -5.659 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.829 -6.403 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.135 -5.906 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.916 -5.036 4.379 1.00 0.00 H new ATOM 916 N ILE A 64 -5.096 -0.711 6.475 1.00 0.00 N ATOM 917 CA ILE A 64 -5.166 0.456 7.346 1.00 0.00 C ATOM 918 C ILE A 64 -5.563 0.060 8.764 1.00 0.00 C ATOM 919 O ILE A 64 -6.202 -0.971 8.976 1.00 0.00 O ATOM 920 CB ILE A 64 -6.171 1.495 6.815 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.591 0.927 6.847 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.796 1.921 5.404 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.668 1.987 6.768 1.00 0.00 C ATOM 0 H ILE A 64 -5.983 -1.199 6.351 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.170 0.900 7.360 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.138 2.373 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.715 0.232 6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.724 0.353 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.516 2.656 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.799 2.362 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.804 1.051 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.649 1.512 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.571 2.668 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.562 2.545 5.838 1.00 0.00 H new ATOM 935 N SER A 65 -5.182 0.887 9.733 1.00 0.00 N ATOM 936 CA SER A 65 -5.497 0.622 11.132 1.00 0.00 C ATOM 937 C SER A 65 -5.742 1.924 11.889 1.00 0.00 C ATOM 938 O SER A 65 -4.817 2.701 12.126 1.00 0.00 O ATOM 939 CB SER A 65 -4.360 -0.159 11.793 1.00 0.00 C ATOM 940 OG SER A 65 -4.527 -0.210 13.199 1.00 0.00 O ATOM 0 H SER A 65 -4.655 1.746 9.575 1.00 0.00 H new ATOM 0 HA SER A 65 -6.408 0.024 11.167 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.328 -1.171 11.390 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.405 0.310 11.554 1.00 0.00 H new ATOM 0 HG SER A 65 -4.094 0.568 13.608 1.00 0.00 H new ATOM 946 N SER A 66 -6.995 2.155 12.266 1.00 0.00 N ATOM 947 CA SER A 66 -7.364 3.364 12.993 1.00 0.00 C ATOM 948 C SER A 66 -7.075 3.211 14.483 1.00 0.00 C ATOM 949 O SER A 66 -7.256 4.147 15.262 1.00 0.00 O ATOM 950 CB SER A 66 -8.846 3.680 12.780 1.00 0.00 C ATOM 951 OG SER A 66 -9.669 2.742 13.450 1.00 0.00 O ATOM 0 H SER A 66 -7.772 1.521 12.080 1.00 0.00 H new ATOM 0 HA SER A 66 -6.764 4.188 12.607 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.063 4.684 13.144 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.073 3.672 11.714 1.00 0.00 H new ATOM 0 HG SER A 66 -10.611 2.967 13.300 1.00 0.00 H new ATOM 957 N THR A 67 -6.623 2.023 14.873 1.00 0.00 N ATOM 958 CA THR A 67 -6.309 1.746 16.269 1.00 0.00 C ATOM 959 C THR A 67 -4.814 1.519 16.461 1.00 0.00 C ATOM 960 O THR A 67 -4.395 0.489 16.988 1.00 0.00 O ATOM 961 CB THR A 67 -7.074 0.512 16.783 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.481 0.694 16.591 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.785 0.270 18.256 1.00 0.00 C ATOM 0 H THR A 67 -6.466 1.237 14.241 1.00 0.00 H new ATOM 0 HA THR A 67 -6.618 2.620 16.842 1.00 0.00 H new ATOM 0 HB THR A 67 -6.739 -0.357 16.217 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.961 -0.095 16.919 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.337 -0.607 18.596 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.717 0.103 18.395 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.094 1.140 18.835 1.00 0.00 H new ATOM 971 N GLY A 68 -4.012 2.489 16.031 1.00 0.00 N ATOM 972 CA GLY A 68 -2.571 2.375 16.166 1.00 0.00 C ATOM 973 C GLY A 68 -1.942 1.599 15.026 1.00 0.00 C ATOM 974 O GLY A 68 -2.617 0.832 14.340 1.00 0.00 O ATOM 0 H GLY A 68 -4.334 3.351 15.592 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.133 3.372 16.208 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.335 1.883 17.110 1.00 0.00 H new ATOM 978 N LYS A 69 -0.644 1.799 14.822 1.00 0.00 N ATOM 979 CA LYS A 69 0.078 1.113 13.757 1.00 0.00 C ATOM 980 C LYS A 69 0.445 -0.307 14.176 1.00 0.00 C ATOM 981 O LYS A 69 0.568 -1.200 13.337 1.00 0.00 O ATOM 982 CB LYS A 69 1.343 1.890 13.388 1.00 0.00 C ATOM 983 CG LYS A 69 2.174 1.221 12.307 1.00 0.00 C ATOM 984 CD LYS A 69 3.646 1.576 12.436 1.00 0.00 C ATOM 985 CE LYS A 69 3.917 3.004 11.987 1.00 0.00 C ATOM 986 NZ LYS A 69 5.372 3.262 11.806 1.00 0.00 N ATOM 0 H LYS A 69 -0.070 2.431 15.381 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.575 1.059 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.061 2.888 13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.956 2.015 14.281 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.053 0.140 12.370 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.810 1.526 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.961 1.453 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.241 0.886 11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.395 3.195 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.514 3.699 12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.515 4.246 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.867 3.104 12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.752 2.616 11.085 1.00 0.00 H new ATOM 1000 N ASP A 70 0.616 -0.510 15.478 1.00 0.00 N ATOM 1001 CA ASP A 70 0.966 -1.822 16.008 1.00 0.00 C ATOM 1002 C ASP A 70 -0.272 -2.545 16.530 1.00 0.00 C ATOM 1003 O ASP A 70 -0.306 -2.992 17.676 1.00 0.00 O ATOM 1004 CB ASP A 70 2.000 -1.685 17.126 1.00 0.00 C ATOM 1005 CG ASP A 70 1.384 -1.225 18.433 1.00 0.00 C ATOM 1006 OD1 ASP A 70 0.677 -0.196 18.425 1.00 0.00 O ATOM 1007 OD2 ASP A 70 1.609 -1.894 19.463 1.00 0.00 O ATOM 0 H ASP A 70 0.518 0.218 16.186 1.00 0.00 H new ATOM 0 HA ASP A 70 1.395 -2.411 15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.494 -2.644 17.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.769 -0.975 16.821 1.00 0.00 H new ATOM 1012 N GLY A 71 -1.289 -2.656 15.680 1.00 0.00 N ATOM 1013 CA GLY A 71 -2.515 -3.325 16.074 1.00 0.00 C ATOM 1014 C GLY A 71 -3.144 -4.102 14.935 1.00 0.00 C ATOM 1015 O GLY A 71 -2.442 -4.633 14.073 1.00 0.00 O ATOM 0 H GLY A 71 -1.285 -2.295 14.726 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.305 -4.004 16.900 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.227 -2.586 16.442 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.471 -4.171 14.929 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.196 -4.889 13.887 1.00 0.00 C ATOM 1021 C LYS A 72 -5.194 -4.100 12.581 1.00 0.00 C ATOM 1022 O LYS A 72 -5.121 -2.871 12.587 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.635 -5.157 14.331 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.568 -5.515 13.187 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.956 -5.875 13.691 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.837 -4.643 13.826 1.00 0.00 C ATOM 1027 NZ LYS A 72 -10.399 -4.217 12.514 1.00 0.00 N ATOM 0 H LYS A 72 -5.067 -3.738 15.635 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.692 -5.840 13.717 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.637 -5.969 15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.020 -4.273 14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.637 -4.675 12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.154 -6.354 12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.421 -6.583 13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.875 -6.374 14.657 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.652 -4.853 14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.256 -3.826 14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.994 -3.374 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.622 -3.992 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.974 -4.987 12.116 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.277 -4.815 11.464 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.284 -4.181 10.151 1.00 0.00 C ATOM 1043 C TYR A 73 -6.433 -4.711 9.297 1.00 0.00 C ATOM 1044 O TYR A 73 -6.616 -5.921 9.164 1.00 0.00 O ATOM 1045 CB TYR A 73 -3.952 -4.421 9.439 1.00 0.00 C ATOM 1046 CG TYR A 73 -2.891 -3.399 9.779 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.162 -3.492 10.958 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.619 -2.339 8.923 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.192 -2.561 11.274 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.650 -1.403 9.230 1.00 0.00 C ATOM 1051 CZ TYR A 73 -0.940 -1.518 10.407 1.00 0.00 C ATOM 1052 OH TYR A 73 0.025 -0.587 10.717 1.00 0.00 O ATOM 0 H TYR A 73 -5.340 -5.833 11.442 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.425 -3.109 10.293 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.585 -5.414 9.699 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.119 -4.414 8.362 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.357 -4.307 11.640 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.175 -2.245 8.002 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.634 -2.649 12.195 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.450 -0.586 8.552 1.00 0.00 H new ATOM 0 HH TYR A 73 0.214 -0.620 11.678 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.203 -3.795 8.720 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.333 -4.167 7.877 1.00 0.00 C ATOM 1064 C LYS A 74 -8.099 -3.736 6.432 1.00 0.00 C ATOM 1065 O LYS A 74 -7.450 -2.723 6.174 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.621 -3.533 8.406 1.00 0.00 C ATOM 1067 CG LYS A 74 -10.652 -3.257 7.326 1.00 0.00 C ATOM 1068 CD LYS A 74 -12.056 -3.179 7.902 1.00 0.00 C ATOM 1069 CE LYS A 74 -13.028 -2.545 6.918 1.00 0.00 C ATOM 1070 NZ LYS A 74 -14.389 -2.391 7.503 1.00 0.00 N ATOM 0 H LYS A 74 -7.065 -2.789 8.821 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.432 -5.252 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.060 -4.193 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.375 -2.598 8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.412 -2.320 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.610 -4.043 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.400 -4.180 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.040 -2.599 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.651 -1.569 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.087 -3.159 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.021 -1.956 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.760 -3.325 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.338 -1.785 8.346 1.00 0.00 H new ATOM 1084 N SER A 75 -8.633 -4.512 5.494 1.00 0.00 N ATOM 1085 CA SER A 75 -8.480 -4.212 4.076 1.00 0.00 C ATOM 1086 C SER A 75 -9.531 -3.206 3.617 1.00 0.00 C ATOM 1087 O SER A 75 -10.628 -3.140 4.172 1.00 0.00 O ATOM 1088 CB SER A 75 -8.587 -5.493 3.247 1.00 0.00 C ATOM 1089 OG SER A 75 -7.668 -6.472 3.700 1.00 0.00 O ATOM 0 H SER A 75 -9.175 -5.353 5.691 1.00 0.00 H new ATOM 0 HA SER A 75 -7.493 -3.773 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.602 -5.886 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.396 -5.268 2.198 1.00 0.00 H new ATOM 0 HG SER A 75 -7.757 -7.282 3.155 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.188 -2.424 2.598 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.102 -1.422 2.062 1.00 0.00 C ATOM 1097 C VAL A 76 -10.178 -1.506 0.541 1.00 0.00 C ATOM 1098 O VAL A 76 -11.224 -1.241 -0.053 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.673 0.001 2.466 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.821 0.197 3.967 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.243 0.272 2.023 1.00 0.00 C ATOM 0 H VAL A 76 -8.284 -2.465 2.127 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.085 -1.631 2.484 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.326 0.715 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.513 1.208 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.862 0.047 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.194 -0.524 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.956 1.282 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.573 -0.447 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.173 0.176 0.940 1.00 0.00 H new ATOM 1111 N TYR A 77 -9.065 -1.875 -0.082 1.00 0.00 N ATOM 1112 CA TYR A 77 -9.005 -1.992 -1.534 1.00 0.00 C ATOM 1113 C TYR A 77 -8.054 -3.109 -1.952 1.00 0.00 C ATOM 1114 O TYR A 77 -7.037 -3.350 -1.302 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.558 -0.667 -2.155 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.257 -0.763 -3.634 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.047 -1.275 -4.085 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.184 -0.341 -4.580 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.768 -1.363 -5.435 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.914 -0.427 -5.932 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.704 -0.938 -6.355 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.431 -1.026 -7.700 1.00 0.00 O ATOM 0 H TYR A 77 -8.192 -2.098 0.396 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.004 -2.236 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.337 0.079 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.669 -0.313 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.312 -1.610 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.131 0.061 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.822 -1.763 -5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.646 -0.096 -6.654 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.194 -0.686 -8.212 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.393 -3.788 -3.043 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.569 -4.879 -3.551 1.00 0.00 C ATOM 1134 C VAL A 78 -7.653 -4.970 -5.071 1.00 0.00 C ATOM 1135 O VAL A 78 -8.672 -5.385 -5.623 1.00 0.00 O ATOM 1136 CB VAL A 78 -7.990 -6.230 -2.943 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.200 -7.368 -3.571 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -7.809 -6.214 -1.433 1.00 0.00 C ATOM 0 H VAL A 78 -9.232 -3.602 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.541 -4.662 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.046 -6.392 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.511 -8.314 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.386 -7.391 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.136 -7.216 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.111 -7.176 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.762 -6.029 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.424 -5.425 -1.001 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.575 -4.579 -5.742 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.547 -4.624 -7.192 1.00 0.00 C ATOM 1150 C GLY A 79 -5.176 -4.976 -7.735 1.00 0.00 C ATOM 1151 O GLY A 79 -4.375 -5.612 -7.051 1.00 0.00 O ATOM 0 H GLY A 79 -5.720 -4.232 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.273 -5.357 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.854 -3.656 -7.588 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.905 -4.562 -8.969 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.622 -4.840 -9.604 1.00 0.00 C ATOM 1157 C GLU A 80 -2.849 -3.549 -9.855 1.00 0.00 C ATOM 1158 O GLU A 80 -1.630 -3.502 -9.690 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.832 -5.587 -10.922 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.487 -6.947 -10.754 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.886 -6.853 -10.175 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.596 -5.877 -10.497 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -6.270 -7.754 -9.401 1.00 0.00 O ATOM 0 H GLU A 80 -5.557 -4.033 -9.549 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.039 -5.467 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.448 -4.976 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.868 -5.716 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.531 -7.447 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.869 -7.566 -10.103 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.566 -2.504 -10.256 1.00 0.00 N ATOM 1171 CA GLU A 81 -2.947 -1.213 -10.532 1.00 0.00 C ATOM 1172 C GLU A 81 -2.236 -0.675 -9.293 1.00 0.00 C ATOM 1173 O GLU A 81 -2.616 -0.981 -8.162 1.00 0.00 O ATOM 1174 CB GLU A 81 -3.999 -0.209 -11.006 1.00 0.00 C ATOM 1175 CG GLU A 81 -4.831 0.380 -9.879 1.00 0.00 C ATOM 1176 CD GLU A 81 -6.108 1.030 -10.374 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -6.993 0.300 -10.868 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -6.223 2.269 -10.267 1.00 0.00 O ATOM 0 H GLU A 81 -4.576 -2.526 -10.397 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.209 -1.354 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.502 0.601 -11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.663 -0.700 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.081 -0.407 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.237 1.119 -9.342 1.00 0.00 H new ATOM 1185 N THR A 82 -1.200 0.128 -9.515 1.00 0.00 N ATOM 1186 CA THR A 82 -0.435 0.708 -8.418 1.00 0.00 C ATOM 1187 C THR A 82 -1.180 1.877 -7.785 1.00 0.00 C ATOM 1188 O THR A 82 -1.352 1.929 -6.568 1.00 0.00 O ATOM 1189 CB THR A 82 0.948 1.193 -8.894 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.802 2.055 -10.027 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.839 0.015 -9.258 1.00 0.00 C ATOM 0 H THR A 82 -0.872 0.391 -10.444 1.00 0.00 H new ATOM 0 HA THR A 82 -0.301 -0.078 -7.675 1.00 0.00 H new ATOM 0 HB THR A 82 1.416 1.743 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.685 2.360 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.810 0.382 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.973 -0.624 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.374 -0.559 -10.059 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.622 2.813 -8.619 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.350 3.982 -8.139 1.00 0.00 C ATOM 1201 C ASN A 83 -3.835 3.670 -7.979 1.00 0.00 C ATOM 1202 O ASN A 83 -4.502 3.271 -8.934 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.165 5.155 -9.104 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.364 6.083 -9.122 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.080 6.171 -10.119 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.588 6.782 -8.015 1.00 0.00 N ATOM 0 H ASN A 83 -1.489 2.785 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.947 4.255 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.277 5.719 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.991 4.771 -10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.380 7.423 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.968 6.678 -7.212 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.346 3.856 -6.766 1.00 0.00 N ATOM 1214 CA ILE A 84 -5.751 3.596 -6.482 1.00 0.00 C ATOM 1215 C ILE A 84 -6.310 4.616 -5.495 1.00 0.00 C ATOM 1216 O ILE A 84 -5.559 5.337 -4.837 1.00 0.00 O ATOM 1217 CB ILE A 84 -5.958 2.181 -5.912 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.647 2.160 -4.414 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.086 1.178 -6.653 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.830 2.529 -3.546 1.00 0.00 C ATOM 0 H ILE A 84 -3.807 4.186 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.285 3.679 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.002 1.899 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.300 1.164 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.828 2.851 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.244 0.182 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.351 1.177 -7.710 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.038 1.455 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.537 2.493 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.164 3.536 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.643 1.824 -3.720 1.00 0.00 H new ATOM 1232 N THR A 85 -7.635 4.671 -5.396 1.00 0.00 N ATOM 1233 CA THR A 85 -8.295 5.602 -4.490 1.00 0.00 C ATOM 1234 C THR A 85 -9.009 4.861 -3.365 1.00 0.00 C ATOM 1235 O THR A 85 -9.839 3.986 -3.613 1.00 0.00 O ATOM 1236 CB THR A 85 -9.314 6.484 -5.235 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.658 7.219 -6.275 1.00 0.00 O ATOM 1238 CG2 THR A 85 -9.996 7.450 -4.278 1.00 0.00 C ATOM 0 H THR A 85 -8.272 4.082 -5.932 1.00 0.00 H new ATOM 0 HA THR A 85 -7.516 6.237 -4.067 1.00 0.00 H new ATOM 0 HB THR A 85 -10.072 5.834 -5.672 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.313 7.776 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.711 8.062 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.519 6.888 -3.504 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.247 8.093 -3.816 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.681 5.217 -2.128 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.292 4.585 -0.963 1.00 0.00 C ATOM 1248 C LEU A 86 -10.699 5.125 -0.726 1.00 0.00 C ATOM 1249 O LEU A 86 -11.046 6.207 -1.197 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.429 4.817 0.279 1.00 0.00 C ATOM 1251 CG LEU A 86 -6.963 4.396 0.165 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.201 4.770 1.427 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.856 2.901 -0.101 1.00 0.00 C ATOM 0 H LEU A 86 -7.996 5.939 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.361 3.514 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.463 5.878 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.877 4.279 1.114 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.517 4.927 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.160 4.463 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.249 5.849 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.648 4.267 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.806 2.620 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.319 2.352 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.367 2.660 -1.033 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.503 4.364 0.009 1.00 0.00 N ATOM 1266 CA ASN A 87 -12.872 4.767 0.311 1.00 0.00 C ATOM 1267 C ASN A 87 -13.328 4.187 1.646 1.00 0.00 C ATOM 1268 O ASN A 87 -12.578 3.477 2.315 1.00 0.00 O ATOM 1269 CB ASN A 87 -13.816 4.315 -0.805 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.901 5.323 -1.935 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -14.897 6.033 -2.073 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -12.855 5.388 -2.749 1.00 0.00 N ATOM 0 H ASN A 87 -11.231 3.465 0.407 1.00 0.00 H new ATOM 0 HA ASN A 87 -12.898 5.854 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.475 3.358 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.811 4.152 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.855 6.047 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.051 4.779 -2.596 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.564 4.493 2.026 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.122 4.001 3.280 1.00 0.00 C ATOM 1281 C ASP A 88 -14.134 4.193 4.427 1.00 0.00 C ATOM 1282 O ASP A 88 -13.971 3.314 5.274 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.493 2.523 3.152 1.00 0.00 C ATOM 1284 CG ASP A 88 -14.415 1.713 2.458 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -13.486 1.247 3.149 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -14.501 1.547 1.223 1.00 0.00 O ATOM 0 H ASP A 88 -15.198 5.079 1.483 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.022 4.576 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.672 2.109 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.426 2.433 2.596 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.477 5.347 4.448 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.504 5.655 5.490 1.00 0.00 C ATOM 1293 C LEU A 89 -13.122 6.541 6.567 1.00 0.00 C ATOM 1294 O LEU A 89 -14.318 6.831 6.537 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.280 6.346 4.885 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.409 5.486 3.969 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.165 6.250 3.544 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.028 4.185 4.661 1.00 0.00 C ATOM 0 H LEU A 89 -13.600 6.085 3.755 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.193 4.717 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.620 7.214 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.659 6.719 5.699 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.984 5.243 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.557 5.622 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.458 7.153 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.587 6.524 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.408 3.586 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.472 4.407 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.931 3.629 4.914 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.298 6.970 7.517 1.00 0.00 N ATOM 1311 CA LYS A 90 -12.761 7.827 8.602 1.00 0.00 C ATOM 1312 C LYS A 90 -12.185 9.233 8.469 1.00 0.00 C ATOM 1313 O LYS A 90 -10.978 9.448 8.578 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.367 7.229 9.955 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.324 6.158 10.448 1.00 0.00 C ATOM 1316 CD LYS A 90 -12.917 4.778 9.959 1.00 0.00 C ATOM 1317 CE LYS A 90 -13.785 3.690 10.572 1.00 0.00 C ATOM 1318 NZ LYS A 90 -13.190 2.337 10.390 1.00 0.00 N ATOM 0 H LYS A 90 -11.306 6.738 7.557 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.847 7.892 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.367 6.803 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.316 8.028 10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.350 6.166 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.333 6.384 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.995 4.738 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.872 4.596 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.918 3.888 11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.775 3.716 10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.812 1.624 10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.086 2.137 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.256 2.304 10.847 1.00 0.00 H new ATOM 1332 N PRO A 91 -13.067 10.215 8.230 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.669 11.618 8.080 1.00 0.00 C ATOM 1334 C PRO A 91 -12.195 12.230 9.393 1.00 0.00 C ATOM 1335 O PRO A 91 -12.559 11.764 10.473 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.953 12.301 7.603 1.00 0.00 C ATOM 1337 CG PRO A 91 -15.054 11.437 8.113 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.521 10.031 8.089 1.00 0.00 C ATOM 0 HA PRO A 91 -11.829 11.733 7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.031 13.315 7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.981 12.377 6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.343 11.728 9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.943 11.528 7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.931 9.432 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.773 9.521 7.159 1.00 0.00 H new ATOM 1346 N ALA A 92 -11.383 13.277 9.294 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.861 13.954 10.474 1.00 0.00 C ATOM 1348 C ALA A 92 -10.148 12.974 11.400 1.00 0.00 C ATOM 1349 O ALA A 92 -10.291 13.043 12.620 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.986 14.661 11.216 1.00 0.00 C ATOM 0 H ALA A 92 -11.072 13.675 8.408 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.134 14.696 10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.583 15.163 12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.449 15.397 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.733 13.930 11.526 1.00 0.00 H new ATOM 1356 N MET A 93 -9.382 12.062 10.811 1.00 0.00 N ATOM 1357 CA MET A 93 -8.647 11.068 11.584 1.00 0.00 C ATOM 1358 C MET A 93 -7.261 10.834 10.990 1.00 0.00 C ATOM 1359 O MET A 93 -7.031 11.086 9.807 1.00 0.00 O ATOM 1360 CB MET A 93 -9.423 9.751 11.631 1.00 0.00 C ATOM 1361 CG MET A 93 -9.016 8.846 12.782 1.00 0.00 C ATOM 1362 SD MET A 93 -9.590 7.150 12.570 1.00 0.00 S ATOM 1363 CE MET A 93 -11.277 7.288 13.157 1.00 0.00 C ATOM 0 H MET A 93 -9.254 11.991 9.802 1.00 0.00 H new ATOM 0 HA MET A 93 -8.529 11.448 12.599 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.488 9.969 11.710 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.276 9.218 10.691 1.00 0.00 H new ATOM 0 HG2 MET A 93 -7.930 8.849 12.874 1.00 0.00 H new ATOM 0 HG3 MET A 93 -9.416 9.247 13.713 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.829 6.385 12.895 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.276 7.411 14.240 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.754 8.152 12.694 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.341 10.352 11.819 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.978 10.083 11.375 1.00 0.00 C ATOM 1375 C ASP A 94 -4.596 8.631 11.643 1.00 0.00 C ATOM 1376 O ASP A 94 -4.569 8.187 12.792 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.996 11.021 12.080 1.00 0.00 C ATOM 1378 CG ASP A 94 -4.420 11.343 13.499 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -4.406 10.425 14.346 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -4.765 12.513 13.764 1.00 0.00 O ATOM 0 H ASP A 94 -6.514 10.140 12.801 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.930 10.260 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.007 10.563 12.095 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.910 11.947 11.511 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.301 7.896 10.577 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.924 6.493 10.697 1.00 0.00 C ATOM 1387 C TYR A 95 -2.836 6.133 9.689 1.00 0.00 C ATOM 1388 O TYR A 95 -2.516 6.919 8.797 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.144 5.595 10.488 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.104 6.111 9.439 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.969 7.162 9.718 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.144 5.548 8.170 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.847 7.636 8.763 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.018 6.016 7.208 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.868 7.060 7.509 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.741 7.530 6.555 1.00 0.00 O ATOM 0 H TYR A 95 -4.316 8.248 9.620 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.532 6.334 11.701 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.807 4.599 10.201 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.675 5.491 11.434 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.955 7.616 10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.480 4.730 7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.514 8.453 8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.036 5.567 6.226 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.269 8.266 6.929 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.272 4.939 9.838 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.220 4.473 8.940 1.00 0.00 C ATOM 1408 C HIS A 96 -1.785 3.524 7.888 1.00 0.00 C ATOM 1409 O HIS A 96 -2.846 2.930 8.080 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.116 3.774 9.734 1.00 0.00 C ATOM 1411 CG HIS A 96 0.340 4.547 10.933 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.383 4.615 12.105 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.455 5.287 11.138 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.266 5.364 12.978 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.385 5.784 12.416 1.00 0.00 N ATOM 0 H HIS A 96 -2.525 4.277 10.571 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.799 5.341 8.432 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.475 2.797 10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.737 3.600 9.078 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.251 5.455 10.428 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.062 5.594 13.981 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.084 6.381 12.859 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.070 3.387 6.777 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.499 2.509 5.695 1.00 0.00 C ATOM 1426 C ALA A 97 -0.302 1.882 4.988 1.00 0.00 C ATOM 1427 O ALA A 97 0.756 2.501 4.870 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.359 3.277 4.702 1.00 0.00 C ATOM 0 H ALA A 97 -0.190 3.873 6.602 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.093 1.704 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.672 2.609 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.239 3.671 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.783 4.102 4.283 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.475 0.651 4.521 1.00 0.00 N ATOM 1435 CA LYS A 98 0.591 -0.061 3.825 1.00 0.00 C ATOM 1436 C LYS A 98 0.066 -0.715 2.550 1.00 0.00 C ATOM 1437 O LYS A 98 -1.119 -0.617 2.233 1.00 0.00 O ATOM 1438 CB LYS A 98 1.205 -1.122 4.740 1.00 0.00 C ATOM 1439 CG LYS A 98 1.394 -0.655 6.173 1.00 0.00 C ATOM 1440 CD LYS A 98 1.524 -1.829 7.129 1.00 0.00 C ATOM 1441 CE LYS A 98 1.874 -1.366 8.535 1.00 0.00 C ATOM 1442 NZ LYS A 98 1.703 -2.455 9.536 1.00 0.00 N ATOM 0 H LYS A 98 -1.344 0.125 4.612 1.00 0.00 H new ATOM 0 HA LYS A 98 1.359 0.662 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.567 -2.006 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.171 -1.424 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.285 -0.031 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.548 -0.035 6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.588 -2.387 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.293 -2.511 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.905 -1.013 8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.242 -0.520 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.027 -2.152 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.343 -3.308 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.620 -2.666 9.979 1.00 0.00 H new ATOM 1456 N VAL A 99 0.957 -1.382 1.823 1.00 0.00 N ATOM 1457 CA VAL A 99 0.583 -2.054 0.585 1.00 0.00 C ATOM 1458 C VAL A 99 1.343 -3.365 0.420 1.00 0.00 C ATOM 1459 O VAL A 99 2.573 -3.378 0.367 1.00 0.00 O ATOM 1460 CB VAL A 99 0.850 -1.161 -0.641 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.324 -1.192 -1.013 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.014 -1.597 -1.815 1.00 0.00 C ATOM 0 H VAL A 99 1.943 -1.471 2.070 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.485 -2.262 0.648 1.00 0.00 H new ATOM 0 HB VAL A 99 0.586 -0.135 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.494 -0.555 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.919 -0.828 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.618 -2.215 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.187 -0.955 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.217 -2.631 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.066 -1.518 -1.542 1.00 0.00 H new ATOM 1472 N GLN A 100 0.603 -4.466 0.340 1.00 0.00 N ATOM 1473 CA GLN A 100 1.208 -5.783 0.181 1.00 0.00 C ATOM 1474 C GLN A 100 0.939 -6.342 -1.212 1.00 0.00 C ATOM 1475 O GLN A 100 -0.187 -6.290 -1.705 1.00 0.00 O ATOM 1476 CB GLN A 100 0.671 -6.746 1.242 1.00 0.00 C ATOM 1477 CG GLN A 100 1.588 -7.928 1.510 1.00 0.00 C ATOM 1478 CD GLN A 100 0.830 -9.169 1.939 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -0.390 -9.247 1.792 1.00 0.00 O ATOM 1480 NE2 GLN A 100 1.551 -10.148 2.473 1.00 0.00 N ATOM 0 H GLN A 100 -0.416 -4.472 0.383 1.00 0.00 H new ATOM 0 HA GLN A 100 2.285 -5.677 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.516 -6.199 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.303 -7.117 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.161 -8.150 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.305 -7.658 2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.560 -10.041 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.096 -11.007 2.780 1.00 0.00 H new ATOM 1489 N ALA A 101 1.981 -6.876 -1.842 1.00 0.00 N ATOM 1490 CA ALA A 101 1.856 -7.446 -3.178 1.00 0.00 C ATOM 1491 C ALA A 101 1.679 -8.959 -3.115 1.00 0.00 C ATOM 1492 O ALA A 101 2.394 -9.646 -2.386 1.00 0.00 O ATOM 1493 CB ALA A 101 3.072 -7.089 -4.019 1.00 0.00 C ATOM 0 H ALA A 101 2.921 -6.926 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 101 0.967 -7.022 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.966 -7.521 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.152 -6.005 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.971 -7.485 -3.546 1.00 0.00 H new ATOM 1499 N GLU A 102 0.722 -9.471 -3.883 1.00 0.00 N ATOM 1500 CA GLU A 102 0.452 -10.903 -3.912 1.00 0.00 C ATOM 1501 C GLU A 102 0.329 -11.405 -5.348 1.00 0.00 C ATOM 1502 O GLU A 102 -0.369 -10.808 -6.168 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.831 -11.218 -3.139 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.561 -12.449 -3.649 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.513 -12.134 -4.787 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.294 -11.168 -4.657 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.476 -12.853 -5.807 1.00 0.00 O ATOM 0 H GLU A 102 0.122 -8.916 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 102 1.289 -11.414 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.585 -11.361 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.500 -10.359 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.832 -13.186 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.118 -12.902 -2.829 1.00 0.00 H new ATOM 1514 N TYR A 103 1.014 -12.504 -5.645 1.00 0.00 N ATOM 1515 CA TYR A 103 0.985 -13.085 -6.982 1.00 0.00 C ATOM 1516 C TYR A 103 1.184 -14.596 -6.924 1.00 0.00 C ATOM 1517 O TYR A 103 1.938 -15.102 -6.094 1.00 0.00 O ATOM 1518 CB TYR A 103 2.066 -12.450 -7.860 1.00 0.00 C ATOM 1519 CG TYR A 103 1.737 -12.472 -9.335 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.697 -13.668 -10.041 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.465 -11.296 -10.024 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.398 -13.693 -11.389 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.164 -11.311 -11.372 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.132 -12.512 -12.050 1.00 0.00 C ATOM 1525 OH TYR A 103 0.832 -12.532 -13.393 1.00 0.00 O ATOM 0 H TYR A 103 1.596 -13.010 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 103 0.007 -12.882 -7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.218 -11.417 -7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.008 -12.974 -7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.903 -14.595 -9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.489 -10.354 -9.496 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.373 -14.632 -11.922 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.955 -10.388 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 103 0.670 -11.617 -13.706 1.00 0.00 H new ATOM 1535 N ASN A 104 0.502 -15.311 -7.813 1.00 0.00 N ATOM 1536 CA ASN A 104 0.602 -16.765 -7.864 1.00 0.00 C ATOM 1537 C ASN A 104 0.260 -17.382 -6.511 1.00 0.00 C ATOM 1538 O ASN A 104 0.801 -18.422 -6.137 1.00 0.00 O ATOM 1539 CB ASN A 104 2.012 -17.184 -8.287 1.00 0.00 C ATOM 1540 CG ASN A 104 2.028 -18.526 -8.993 1.00 0.00 C ATOM 1541 OD1 ASN A 104 1.137 -18.834 -9.785 1.00 0.00 O ATOM 1542 ND2 ASN A 104 3.044 -19.333 -8.707 1.00 0.00 N ATOM 0 H ASN A 104 -0.126 -14.907 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.115 -17.129 -8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.431 -16.424 -8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.653 -17.232 -7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.108 -20.249 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.760 -19.036 -8.044 1.00 0.00 H new ATOM 1549 N SER A 105 -0.643 -16.733 -5.783 1.00 0.00 N ATOM 1550 CA SER A 105 -1.056 -17.216 -4.470 1.00 0.00 C ATOM 1551 C SER A 105 0.097 -17.135 -3.474 1.00 0.00 C ATOM 1552 O SER A 105 0.169 -17.918 -2.527 1.00 0.00 O ATOM 1553 CB SER A 105 -1.559 -18.657 -4.568 1.00 0.00 C ATOM 1554 OG SER A 105 -2.203 -19.055 -3.371 1.00 0.00 O ATOM 0 H SER A 105 -1.102 -15.872 -6.080 1.00 0.00 H new ATOM 0 HA SER A 105 -1.866 -16.579 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.252 -18.747 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.722 -19.324 -4.774 1.00 0.00 H new ATOM 0 HG SER A 105 -1.619 -18.866 -2.607 1.00 0.00 H new ATOM 1560 N ILE A 106 0.996 -16.182 -3.696 1.00 0.00 N ATOM 1561 CA ILE A 106 2.145 -15.997 -2.818 1.00 0.00 C ATOM 1562 C ILE A 106 2.104 -14.633 -2.138 1.00 0.00 C ATOM 1563 O ILE A 106 2.409 -13.610 -2.753 1.00 0.00 O ATOM 1564 CB ILE A 106 3.471 -16.133 -3.590 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.586 -17.528 -4.208 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.650 -15.857 -2.670 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.681 -17.642 -5.244 1.00 0.00 C ATOM 0 H ILE A 106 0.951 -15.526 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 106 2.092 -16.779 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 106 3.483 -15.398 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.770 -18.253 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.634 -17.793 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.580 -15.957 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.573 -14.845 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.644 -16.571 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.704 -18.658 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.488 -16.941 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.642 -17.409 -4.785 1.00 0.00 H new ATOM 1579 N LYS A 107 1.726 -14.624 -0.864 1.00 0.00 N ATOM 1580 CA LYS A 107 1.647 -13.386 -0.098 1.00 0.00 C ATOM 1581 C LYS A 107 2.964 -13.105 0.618 1.00 0.00 C ATOM 1582 O LYS A 107 3.425 -13.907 1.428 1.00 0.00 O ATOM 1583 CB LYS A 107 0.507 -13.465 0.921 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.860 -13.660 0.290 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.977 -13.298 1.254 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.291 -13.952 0.857 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.480 -15.268 1.527 1.00 0.00 N ATOM 0 H LYS A 107 1.469 -15.461 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 107 1.450 -12.570 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.702 -14.288 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.497 -12.551 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.939 -13.045 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.972 -14.698 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.704 -13.610 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.101 -12.215 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.118 -13.291 1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.317 -14.088 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.387 -15.681 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.704 -15.908 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.481 -15.135 2.559 1.00 0.00 H new ATOM 1601 N GLY A 108 3.565 -11.958 0.314 1.00 0.00 N ATOM 1602 CA GLY A 108 4.822 -11.591 0.938 1.00 0.00 C ATOM 1603 C GLY A 108 4.627 -10.768 2.196 1.00 0.00 C ATOM 1604 O GLY A 108 3.843 -11.135 3.072 1.00 0.00 O ATOM 0 H GLY A 108 3.203 -11.277 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.380 -12.495 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.425 -11.026 0.228 1.00 0.00 H new ATOM 1608 N THR A 109 5.342 -9.651 2.287 1.00 0.00 N ATOM 1609 CA THR A 109 5.246 -8.775 3.448 1.00 0.00 C ATOM 1610 C THR A 109 4.916 -7.346 3.033 1.00 0.00 C ATOM 1611 O THR A 109 5.494 -6.798 2.094 1.00 0.00 O ATOM 1612 CB THR A 109 6.555 -8.772 4.260 1.00 0.00 C ATOM 1613 OG1 THR A 109 6.761 -10.055 4.862 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.521 -7.700 5.339 1.00 0.00 C ATOM 0 H THR A 109 5.994 -9.332 1.570 1.00 0.00 H new ATOM 0 HA THR A 109 4.441 -9.165 4.071 1.00 0.00 H new ATOM 0 HB THR A 109 7.378 -8.554 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.596 -10.045 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.456 -7.718 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.394 -6.722 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.689 -7.892 6.016 1.00 0.00 H new ATOM 1622 N PRO A 110 3.965 -6.726 3.747 1.00 0.00 N ATOM 1623 CA PRO A 110 3.538 -5.351 3.471 1.00 0.00 C ATOM 1624 C PRO A 110 4.611 -4.328 3.828 1.00 0.00 C ATOM 1625 O PRO A 110 5.149 -4.340 4.935 1.00 0.00 O ATOM 1626 CB PRO A 110 2.310 -5.174 4.368 1.00 0.00 C ATOM 1627 CG PRO A 110 2.511 -6.145 5.480 1.00 0.00 C ATOM 1628 CD PRO A 110 3.234 -7.319 4.879 1.00 0.00 C ATOM 0 HA PRO A 110 3.335 -5.192 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.237 -4.153 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.389 -5.381 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.093 -5.699 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.556 -6.452 5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 110 3.911 -7.784 5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.540 -8.092 4.549 1.00 0.00 H new ATOM 1636 N SER A 111 4.916 -3.443 2.884 1.00 0.00 N ATOM 1637 CA SER A 111 5.928 -2.415 3.099 1.00 0.00 C ATOM 1638 C SER A 111 5.603 -1.583 4.336 1.00 0.00 C ATOM 1639 O SER A 111 4.591 -1.808 4.999 1.00 0.00 O ATOM 1640 CB SER A 111 6.030 -1.507 1.872 1.00 0.00 C ATOM 1641 OG SER A 111 4.749 -1.236 1.329 1.00 0.00 O ATOM 0 H SER A 111 4.477 -3.417 1.964 1.00 0.00 H new ATOM 0 HA SER A 111 6.886 -2.910 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.517 -0.571 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.656 -1.981 1.116 1.00 0.00 H new ATOM 0 HG SER A 111 4.151 -0.924 2.040 1.00 0.00 H new ATOM 1647 N GLU A 112 6.469 -0.621 4.639 1.00 0.00 N ATOM 1648 CA GLU A 112 6.275 0.244 5.797 1.00 0.00 C ATOM 1649 C GLU A 112 4.873 0.846 5.797 1.00 0.00 C ATOM 1650 O GLU A 112 4.059 0.552 4.921 1.00 0.00 O ATOM 1651 CB GLU A 112 7.321 1.360 5.808 1.00 0.00 C ATOM 1652 CG GLU A 112 8.659 0.934 6.389 1.00 0.00 C ATOM 1653 CD GLU A 112 9.816 1.755 5.852 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.711 2.255 4.713 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.826 1.898 6.573 1.00 0.00 O ATOM 0 H GLU A 112 7.311 -0.421 4.099 1.00 0.00 H new ATOM 0 HA GLU A 112 6.391 -0.362 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.473 1.714 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.936 2.202 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.626 1.027 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.830 -0.119 6.164 1.00 0.00 H new ATOM 1662 N ALA A 113 4.598 1.690 6.786 1.00 0.00 N ATOM 1663 CA ALA A 113 3.295 2.334 6.900 1.00 0.00 C ATOM 1664 C ALA A 113 3.404 3.836 6.662 1.00 0.00 C ATOM 1665 O ALA A 113 4.369 4.472 7.084 1.00 0.00 O ATOM 1666 CB ALA A 113 2.687 2.057 8.267 1.00 0.00 C ATOM 0 H ALA A 113 5.260 1.944 7.520 1.00 0.00 H new ATOM 0 HA ALA A 113 2.642 1.917 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.714 2.544 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.565 0.982 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.345 2.446 9.044 1.00 0.00 H new ATOM 1672 N GLU A 114 2.407 4.397 5.984 1.00 0.00 N ATOM 1673 CA GLU A 114 2.393 5.825 5.690 1.00 0.00 C ATOM 1674 C GLU A 114 1.206 6.508 6.363 1.00 0.00 C ATOM 1675 O GLU A 114 0.059 6.335 5.947 1.00 0.00 O ATOM 1676 CB GLU A 114 2.338 6.056 4.178 1.00 0.00 C ATOM 1677 CG GLU A 114 2.326 7.524 3.787 1.00 0.00 C ATOM 1678 CD GLU A 114 3.720 8.093 3.607 1.00 0.00 C ATOM 1679 OE1 GLU A 114 4.602 7.773 4.431 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.928 8.857 2.641 1.00 0.00 O ATOM 0 H GLU A 114 1.600 3.885 5.629 1.00 0.00 H new ATOM 0 HA GLU A 114 3.311 6.260 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.197 5.572 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.446 5.575 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.766 7.644 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.801 8.095 4.552 1.00 0.00 H new ATOM 1687 N ILE A 115 1.489 7.283 7.404 1.00 0.00 N ATOM 1688 CA ILE A 115 0.445 7.991 8.134 1.00 0.00 C ATOM 1689 C ILE A 115 -0.057 9.196 7.345 1.00 0.00 C ATOM 1690 O ILE A 115 0.729 10.033 6.901 1.00 0.00 O ATOM 1691 CB ILE A 115 0.945 8.467 9.511 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.171 9.200 10.258 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.162 9.365 9.352 1.00 0.00 C ATOM 1694 CD1 ILE A 115 0.066 9.304 11.749 1.00 0.00 C ATOM 0 H ILE A 115 2.432 7.437 7.761 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.374 7.286 8.277 1.00 0.00 H new ATOM 0 HB ILE A 115 1.236 7.595 10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.276 10.203 9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.114 8.683 10.084 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.503 9.693 10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.960 8.812 8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.896 10.235 8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.765 9.835 12.213 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.141 8.304 12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.993 9.848 11.933 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.373 9.278 7.175 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.981 10.380 6.440 1.00 0.00 C ATOM 1708 C PHE A 116 -3.285 10.820 7.100 1.00 0.00 C ATOM 1709 O PHE A 116 -4.224 10.035 7.232 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.244 9.971 4.989 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.283 8.896 4.848 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.632 9.216 4.834 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -2.913 7.566 4.730 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.590 8.229 4.705 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -3.867 6.575 4.601 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.208 6.907 4.588 1.00 0.00 C ATOM 0 H PHE A 116 -2.038 8.594 7.536 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.286 11.219 6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.561 10.848 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.312 9.625 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.937 10.248 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.866 7.301 4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.638 8.491 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.565 5.542 4.510 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.956 6.134 4.487 1.00 0.00 H new ATOM 1726 N THR A 117 -3.335 12.083 7.513 1.00 0.00 N ATOM 1727 CA THR A 117 -4.521 12.628 8.161 1.00 0.00 C ATOM 1728 C THR A 117 -5.557 13.066 7.132 1.00 0.00 C ATOM 1729 O THR A 117 -5.229 13.732 6.149 1.00 0.00 O ATOM 1730 CB THR A 117 -4.169 13.828 9.060 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.964 13.559 9.786 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.299 14.124 10.035 1.00 0.00 C ATOM 0 H THR A 117 -2.568 12.747 7.410 1.00 0.00 H new ATOM 0 HA THR A 117 -4.938 11.832 8.777 1.00 0.00 H new ATOM 0 HB THR A 117 -4.022 14.700 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.746 14.327 10.354 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.027 14.975 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.207 14.357 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.473 13.252 10.666 1.00 0.00 H new ATOM 1740 N THR A 118 -6.811 12.690 7.364 1.00 0.00 N ATOM 1741 CA THR A 118 -7.896 13.043 6.457 1.00 0.00 C ATOM 1742 C THR A 118 -8.712 14.208 7.004 1.00 0.00 C ATOM 1743 O THR A 118 -8.726 14.458 8.210 1.00 0.00 O ATOM 1744 CB THR A 118 -8.833 11.846 6.208 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.379 11.386 7.448 1.00 0.00 O ATOM 1746 CG2 THR A 118 -8.089 10.710 5.523 1.00 0.00 C ATOM 0 H THR A 118 -7.100 12.141 8.173 1.00 0.00 H new ATOM 0 HA THR A 118 -7.436 13.336 5.513 1.00 0.00 H new ATOM 0 HB THR A 118 -9.642 12.175 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.109 10.456 7.599 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.771 9.876 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.699 11.055 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.263 10.383 6.154 1.00 0.00 H new ATOM 1754 N LEU A 119 -9.392 14.919 6.111 1.00 0.00 N ATOM 1755 CA LEU A 119 -10.213 16.059 6.505 1.00 0.00 C ATOM 1756 C LEU A 119 -11.582 15.600 6.996 1.00 0.00 C ATOM 1757 O LEU A 119 -11.951 14.436 6.839 1.00 0.00 O ATOM 1758 CB LEU A 119 -10.378 17.024 5.330 1.00 0.00 C ATOM 1759 CG LEU A 119 -10.368 16.394 3.937 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -11.155 17.251 2.958 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.939 16.201 3.449 1.00 0.00 C ATOM 0 H LEU A 119 -9.391 14.726 5.109 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.708 16.574 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -11.318 17.562 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.579 17.763 5.378 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.846 15.416 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.137 16.787 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.187 17.339 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.706 18.243 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.951 15.752 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.436 17.167 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.405 15.546 4.137 1.00 0.00 H new ATOM 1773 N SER A 120 -12.333 16.523 7.589 1.00 0.00 N ATOM 1774 CA SER A 120 -13.661 16.213 8.104 1.00 0.00 C ATOM 1775 C SER A 120 -14.699 16.245 6.986 1.00 0.00 C ATOM 1776 O SER A 120 -14.537 16.957 5.994 1.00 0.00 O ATOM 1777 CB SER A 120 -14.049 17.203 9.204 1.00 0.00 C ATOM 1778 OG SER A 120 -15.451 17.401 9.241 1.00 0.00 O ATOM 0 H SER A 120 -12.044 17.492 7.724 1.00 0.00 H new ATOM 0 HA SER A 120 -13.635 15.207 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.706 16.831 10.169 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.548 18.156 9.033 1.00 0.00 H new ATOM 0 HG SER A 120 -15.673 18.036 9.953 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.764 15.469 7.154 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.829 15.407 6.159 1.00 0.00 C ATOM 1786 C CYS A 121 -17.027 16.763 5.490 1.00 0.00 C ATOM 1787 O CYS A 121 -17.268 16.842 4.286 1.00 0.00 O ATOM 1788 CB CYS A 121 -18.136 14.950 6.809 1.00 0.00 C ATOM 1789 SG CYS A 121 -18.334 13.154 6.883 1.00 0.00 S ATOM 0 H CYS A 121 -15.913 14.874 7.969 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.539 14.685 5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -18.186 15.352 7.821 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -18.973 15.375 6.255 1.00 0.00 H new ATOM 0 HG CYS A 121 -19.467 12.865 7.451 1.00 0.00 H new