USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 51 SER OG : rot -70:sc= 0.431 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 172:sc= 2.19 (180deg=1.11) USER MOD Set 1.3: A 75 GLN : amide:sc= -1.84! K(o=0.78!,f=1.3) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.0148 K(o=-1.5,f=-6.1) USER MOD Set 2.2: A 44 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.19 (180deg=0.536) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 3 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.0046) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0.988 (180deg=0.976) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -140:sc= 0 USER MOD Single : A 20 CYS SG : rot 39:sc= 0.00875 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc=-0.00389 X(o=-0.0039,f=-0.0027) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 38 GLN : amide:sc= -0.963 K(o=-0.96,f=-0.063) USER MOD Single : A 43 SER OG : rot -130:sc= -0.267 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 42:sc= 1.22 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 63 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.098) USER MOD Single : A 70 SER OG : rot 160:sc=-0.00731 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 128:sc= 1.28 USER MOD Single : A 84 CYS SG : rot 116:sc= 0.613 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 91 SER OG : rot 180:sc= -0.296 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.14) USER MOD Single : A 105 GLN : amide:sc= 0.111 K(o=0.11,f=-2.7) USER MOD Single : A 110 SER OG : rot -80:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.149 11.517 8.790 1.00 0.00 N ATOM 2 CA MET A 1 -13.593 11.232 7.407 1.00 0.00 C ATOM 3 C MET A 1 -13.386 9.758 7.091 1.00 0.00 C ATOM 4 O MET A 1 -12.370 9.362 6.519 1.00 0.00 O ATOM 5 CB MET A 1 -12.842 12.106 6.392 1.00 0.00 C ATOM 6 CG MET A 1 -13.107 13.597 6.546 1.00 0.00 C ATOM 7 SD MET A 1 -12.407 14.279 8.063 1.00 0.00 S ATOM 8 CE MET A 1 -13.050 15.948 8.004 1.00 0.00 C ATOM 0 H1 MET A 1 -12.986 12.538 8.899 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.883 11.210 9.460 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.266 11.003 8.984 1.00 0.00 H new ATOM 0 HA MET A 1 -14.654 11.469 7.332 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.772 11.925 6.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.123 11.799 5.385 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.690 14.126 5.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.183 13.773 6.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.705 16.502 8.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.697 16.442 7.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.140 15.918 8.000 1.00 0.00 H new ATOM 17 N SER A 2 -14.355 8.947 7.477 1.00 0.00 N ATOM 18 CA SER A 2 -14.256 7.506 7.339 1.00 0.00 C ATOM 19 C SER A 2 -15.011 7.023 6.110 1.00 0.00 C ATOM 20 O SER A 2 -15.676 5.987 6.137 1.00 0.00 O ATOM 21 CB SER A 2 -14.793 6.841 8.604 1.00 0.00 C ATOM 22 OG SER A 2 -15.769 7.657 9.233 1.00 0.00 O ATOM 0 H SER A 2 -15.229 9.268 7.893 1.00 0.00 H new ATOM 0 HA SER A 2 -13.209 7.232 7.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.229 5.874 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.972 6.651 9.296 1.00 0.00 H new ATOM 0 HG SER A 2 -16.099 7.209 10.040 1.00 0.00 H new ATOM 28 N GLN A 3 -14.883 7.773 5.026 1.00 0.00 N ATOM 29 CA GLN A 3 -15.514 7.418 3.767 1.00 0.00 C ATOM 30 C GLN A 3 -14.900 6.147 3.193 1.00 0.00 C ATOM 31 O GLN A 3 -13.831 6.186 2.585 1.00 0.00 O ATOM 32 CB GLN A 3 -15.382 8.564 2.759 1.00 0.00 C ATOM 33 CG GLN A 3 -16.213 9.787 3.115 1.00 0.00 C ATOM 34 CD GLN A 3 -16.020 10.945 2.147 1.00 0.00 C ATOM 35 OE1 GLN A 3 -16.946 11.711 1.890 1.00 0.00 O ATOM 36 NE2 GLN A 3 -14.815 11.100 1.627 1.00 0.00 N ATOM 0 H GLN A 3 -14.343 8.638 4.995 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.571 7.237 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.334 8.855 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.681 8.206 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -17.267 9.509 3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -15.952 10.115 4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.070 10.445 1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.630 11.875 0.990 1.00 0.00 H new ATOM 45 N TRP A 4 -15.558 5.018 3.431 1.00 0.00 N ATOM 46 CA TRP A 4 -15.160 3.760 2.818 1.00 0.00 C ATOM 47 C TRP A 4 -15.474 3.799 1.332 1.00 0.00 C ATOM 48 O TRP A 4 -16.621 3.622 0.925 1.00 0.00 O ATOM 49 CB TRP A 4 -15.880 2.572 3.466 1.00 0.00 C ATOM 50 CG TRP A 4 -15.357 2.201 4.820 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.818 2.633 6.030 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.274 1.306 5.101 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.091 2.059 7.044 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.136 1.242 6.498 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.407 0.552 4.302 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.165 0.455 7.116 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.445 -0.227 4.916 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.332 -0.272 6.309 1.00 0.00 C ATOM 0 H TRP A 4 -16.370 4.950 4.045 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.088 3.630 2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.941 2.807 3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.796 1.708 2.807 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.635 3.325 6.170 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.238 2.215 8.041 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.488 0.579 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.074 0.420 8.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.769 -0.811 4.310 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.571 -0.894 6.758 1.00 0.00 H new ATOM 69 N LYS A 5 -14.463 4.070 0.532 1.00 0.00 N ATOM 70 CA LYS A 5 -14.650 4.182 -0.900 1.00 0.00 C ATOM 71 C LYS A 5 -14.384 2.850 -1.586 1.00 0.00 C ATOM 72 O LYS A 5 -13.281 2.307 -1.496 1.00 0.00 O ATOM 73 CB LYS A 5 -13.733 5.267 -1.472 1.00 0.00 C ATOM 74 CG LYS A 5 -13.870 5.449 -2.976 1.00 0.00 C ATOM 75 CD LYS A 5 -13.039 6.615 -3.481 1.00 0.00 C ATOM 76 CE LYS A 5 -13.197 6.788 -4.982 1.00 0.00 C ATOM 77 NZ LYS A 5 -12.516 8.013 -5.480 1.00 0.00 N ATOM 0 H LYS A 5 -13.505 4.217 0.849 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.686 4.462 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.952 6.214 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.698 5.017 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.559 4.535 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.918 5.613 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.343 7.530 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.989 6.449 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.790 5.915 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.257 6.837 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.592 8.055 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.967 8.854 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.513 7.988 -5.207 1.00 0.00 H new ATOM 91 N ASP A 6 -15.416 2.307 -2.224 1.00 0.00 N ATOM 92 CA ASP A 6 -15.264 1.146 -3.097 1.00 0.00 C ATOM 93 C ASP A 6 -14.283 1.467 -4.221 1.00 0.00 C ATOM 94 O ASP A 6 -14.607 2.226 -5.139 1.00 0.00 O ATOM 95 CB ASP A 6 -16.612 0.741 -3.701 1.00 0.00 C ATOM 96 CG ASP A 6 -17.661 0.420 -2.656 1.00 0.00 C ATOM 97 OD1 ASP A 6 -18.351 1.353 -2.191 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.811 -0.766 -2.300 1.00 0.00 O ATOM 0 H ASP A 6 -16.372 2.654 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.882 0.317 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.976 1.549 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.469 -0.129 -4.342 1.00 0.00 H new ATOM 103 N ILE A 7 -13.086 0.903 -4.141 1.00 0.00 N ATOM 104 CA ILE A 7 -12.041 1.180 -5.119 1.00 0.00 C ATOM 105 C ILE A 7 -12.247 0.348 -6.373 1.00 0.00 C ATOM 106 O ILE A 7 -12.600 0.866 -7.434 1.00 0.00 O ATOM 107 CB ILE A 7 -10.636 0.874 -4.551 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.421 1.598 -3.222 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.555 1.264 -5.553 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.556 3.100 -3.321 1.00 0.00 C ATOM 0 H ILE A 7 -12.813 0.249 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.105 2.241 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.568 -0.199 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.141 1.224 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.429 1.355 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.574 1.041 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.693 0.700 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.624 2.331 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.391 3.546 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.818 3.486 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.557 3.353 -3.670 1.00 0.00 H new ATOM 122 N CYS A 8 -12.025 -0.945 -6.233 1.00 0.00 N ATOM 123 CA CYS A 8 -12.145 -1.880 -7.333 1.00 0.00 C ATOM 124 C CYS A 8 -12.339 -3.271 -6.758 1.00 0.00 C ATOM 125 O CYS A 8 -12.189 -3.466 -5.551 1.00 0.00 O ATOM 126 CB CYS A 8 -10.888 -1.831 -8.212 1.00 0.00 C ATOM 127 SG CYS A 8 -11.050 -2.678 -9.802 1.00 0.00 S ATOM 0 H CYS A 8 -11.755 -1.377 -5.349 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.999 -1.616 -7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.629 -0.788 -8.395 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.058 -2.274 -7.662 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.936 -2.574 -10.464 1.00 0.00 H new ATOM 133 N LYS A 9 -12.679 -4.233 -7.593 1.00 0.00 N ATOM 134 CA LYS A 9 -12.883 -5.588 -7.117 1.00 0.00 C ATOM 135 C LYS A 9 -11.552 -6.323 -7.010 1.00 0.00 C ATOM 136 O LYS A 9 -10.609 -6.041 -7.751 1.00 0.00 O ATOM 137 CB LYS A 9 -13.852 -6.343 -8.030 1.00 0.00 C ATOM 138 CG LYS A 9 -15.238 -5.719 -8.084 1.00 0.00 C ATOM 139 CD LYS A 9 -16.209 -6.578 -8.872 1.00 0.00 C ATOM 140 CE LYS A 9 -17.578 -5.926 -8.971 1.00 0.00 C ATOM 141 NZ LYS A 9 -18.566 -6.810 -9.645 1.00 0.00 N ATOM 0 H LYS A 9 -12.819 -4.105 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.326 -5.540 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.438 -6.379 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.938 -7.373 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.614 -5.580 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.175 -4.730 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.814 -6.750 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.303 -7.553 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.935 -5.678 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.495 -4.989 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.487 -6.329 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.238 -7.026 -10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.665 -7.694 -9.106 1.00 0.00 H new ATOM 155 N ILE A 10 -11.490 -7.276 -6.088 1.00 0.00 N ATOM 156 CA ILE A 10 -10.279 -8.055 -5.838 1.00 0.00 C ATOM 157 C ILE A 10 -9.944 -8.932 -7.049 1.00 0.00 C ATOM 158 O ILE A 10 -8.886 -9.556 -7.118 1.00 0.00 O ATOM 159 CB ILE A 10 -10.449 -8.933 -4.573 1.00 0.00 C ATOM 160 CG1 ILE A 10 -9.103 -9.499 -4.110 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.442 -10.062 -4.826 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.114 -8.438 -3.678 1.00 0.00 C ATOM 0 H ILE A 10 -12.277 -7.532 -5.491 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.455 -7.361 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.843 -8.299 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.273 -10.184 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.666 -10.082 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.545 -10.665 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.411 -9.641 -5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.081 -10.688 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.185 -8.913 -3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.914 -7.766 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.530 -7.870 -2.846 1.00 0.00 H new ATOM 174 N ASP A 11 -10.865 -8.955 -8.001 1.00 0.00 N ATOM 175 CA ASP A 11 -10.691 -9.695 -9.241 1.00 0.00 C ATOM 176 C ASP A 11 -9.667 -9.001 -10.141 1.00 0.00 C ATOM 177 O ASP A 11 -9.069 -9.622 -11.018 1.00 0.00 O ATOM 178 CB ASP A 11 -12.041 -9.805 -9.954 1.00 0.00 C ATOM 179 CG ASP A 11 -12.002 -10.691 -11.183 1.00 0.00 C ATOM 180 OD1 ASP A 11 -12.092 -11.924 -11.029 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.924 -10.158 -12.309 1.00 0.00 O ATOM 0 H ASP A 11 -11.755 -8.461 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.318 -10.694 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.781 -10.197 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.373 -8.808 -10.244 1.00 0.00 H new ATOM 186 N ASP A 12 -9.465 -7.705 -9.913 1.00 0.00 N ATOM 187 CA ASP A 12 -8.506 -6.931 -10.695 1.00 0.00 C ATOM 188 C ASP A 12 -7.127 -6.960 -10.048 1.00 0.00 C ATOM 189 O ASP A 12 -6.106 -7.046 -10.731 1.00 0.00 O ATOM 190 CB ASP A 12 -8.977 -5.482 -10.848 1.00 0.00 C ATOM 191 CG ASP A 12 -7.989 -4.629 -11.623 1.00 0.00 C ATOM 192 OD1 ASP A 12 -7.985 -4.700 -12.871 1.00 0.00 O ATOM 193 OD2 ASP A 12 -7.213 -3.883 -10.992 1.00 0.00 O ATOM 0 H ASP A 12 -9.952 -7.170 -9.194 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.438 -7.387 -11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.941 -5.468 -11.356 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.131 -5.047 -9.860 1.00 0.00 H new ATOM 198 N ILE A 13 -7.104 -6.894 -8.727 1.00 0.00 N ATOM 199 CA ILE A 13 -5.849 -6.881 -7.986 1.00 0.00 C ATOM 200 C ILE A 13 -5.314 -8.298 -7.831 1.00 0.00 C ATOM 201 O ILE A 13 -5.762 -9.055 -6.970 1.00 0.00 O ATOM 202 CB ILE A 13 -6.015 -6.240 -6.590 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.719 -4.884 -6.707 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.654 -6.081 -5.922 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.975 -4.213 -5.374 1.00 0.00 C ATOM 0 H ILE A 13 -7.939 -6.848 -8.144 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.141 -6.279 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.631 -6.894 -5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.113 -4.222 -7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.669 -5.021 -7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.782 -5.628 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.186 -7.059 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.020 -5.442 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.476 -3.259 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.607 -4.854 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.027 -4.043 -4.864 1.00 0.00 H new ATOM 217 N LEU A 14 -4.368 -8.650 -8.689 1.00 0.00 N ATOM 218 CA LEU A 14 -3.764 -9.973 -8.684 1.00 0.00 C ATOM 219 C LEU A 14 -2.788 -10.115 -7.516 1.00 0.00 C ATOM 220 O LEU A 14 -2.426 -9.121 -6.885 1.00 0.00 O ATOM 221 CB LEU A 14 -3.043 -10.211 -10.017 1.00 0.00 C ATOM 222 CG LEU A 14 -3.933 -10.139 -11.261 1.00 0.00 C ATOM 223 CD1 LEU A 14 -3.102 -10.324 -12.522 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.036 -11.186 -11.189 1.00 0.00 C ATOM 0 H LEU A 14 -3.998 -8.027 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.547 -10.721 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.246 -9.475 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.569 -11.192 -9.985 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.397 -9.153 -11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.751 -10.270 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.349 -9.538 -12.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.610 -11.296 -12.494 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.659 -11.120 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.591 -12.179 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.649 -11.009 -10.305 1.00 0.00 H new ATOM 236 N PRO A 15 -2.365 -11.351 -7.197 1.00 0.00 N ATOM 237 CA PRO A 15 -1.373 -11.599 -6.144 1.00 0.00 C ATOM 238 C PRO A 15 -0.068 -10.836 -6.382 1.00 0.00 C ATOM 239 O PRO A 15 0.375 -10.688 -7.525 1.00 0.00 O ATOM 240 CB PRO A 15 -1.139 -13.113 -6.222 1.00 0.00 C ATOM 241 CG PRO A 15 -2.375 -13.656 -6.846 1.00 0.00 C ATOM 242 CD PRO A 15 -2.834 -12.605 -7.815 1.00 0.00 C ATOM 0 HA PRO A 15 -1.721 -11.261 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.258 -13.347 -6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.975 -13.540 -5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.175 -14.598 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.138 -13.856 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.401 -12.753 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.917 -12.614 -7.936 1.00 0.00 H new ATOM 250 N GLU A 16 0.522 -10.347 -5.293 1.00 0.00 N ATOM 251 CA GLU A 16 1.766 -9.567 -5.328 1.00 0.00 C ATOM 252 C GLU A 16 1.604 -8.292 -6.158 1.00 0.00 C ATOM 253 O GLU A 16 2.578 -7.764 -6.704 1.00 0.00 O ATOM 254 CB GLU A 16 2.942 -10.397 -5.861 1.00 0.00 C ATOM 255 CG GLU A 16 3.317 -11.589 -4.988 1.00 0.00 C ATOM 256 CD GLU A 16 2.427 -12.796 -5.215 1.00 0.00 C ATOM 257 OE1 GLU A 16 2.600 -13.476 -6.251 1.00 0.00 O ATOM 258 OE2 GLU A 16 1.573 -13.087 -4.357 1.00 0.00 O ATOM 0 H GLU A 16 0.150 -10.480 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 16 1.988 -9.284 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.694 -10.757 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.812 -9.749 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.352 -11.866 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.261 -11.296 -3.940 1.00 0.00 H new ATOM 265 N THR A 17 0.385 -7.773 -6.216 1.00 0.00 N ATOM 266 CA THR A 17 0.111 -6.575 -6.995 1.00 0.00 C ATOM 267 C THR A 17 -0.398 -5.444 -6.108 1.00 0.00 C ATOM 268 O THR A 17 -1.343 -5.618 -5.337 1.00 0.00 O ATOM 269 CB THR A 17 -0.926 -6.844 -8.104 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.549 -7.999 -8.860 1.00 0.00 O ATOM 271 CG2 THR A 17 -1.052 -5.650 -9.038 1.00 0.00 C ATOM 0 H THR A 17 -0.426 -8.161 -5.735 1.00 0.00 H new ATOM 0 HA THR A 17 1.055 -6.280 -7.454 1.00 0.00 H new ATOM 0 HB THR A 17 -1.890 -7.016 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.731 -7.842 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.790 -5.868 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.369 -4.775 -8.470 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.087 -5.450 -9.505 1.00 0.00 H new ATOM 279 N GLY A 18 0.252 -4.297 -6.204 1.00 0.00 N ATOM 280 CA GLY A 18 -0.240 -3.107 -5.548 1.00 0.00 C ATOM 281 C GLY A 18 -0.852 -2.150 -6.546 1.00 0.00 C ATOM 282 O GLY A 18 -0.283 -1.922 -7.611 1.00 0.00 O ATOM 0 H GLY A 18 1.117 -4.169 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.983 -3.381 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.577 -2.614 -5.021 1.00 0.00 H new ATOM 286 N VAL A 19 -2.013 -1.607 -6.220 1.00 0.00 N ATOM 287 CA VAL A 19 -2.719 -0.707 -7.125 1.00 0.00 C ATOM 288 C VAL A 19 -2.793 0.707 -6.557 1.00 0.00 C ATOM 289 O VAL A 19 -2.419 0.944 -5.405 1.00 0.00 O ATOM 290 CB VAL A 19 -4.149 -1.210 -7.424 1.00 0.00 C ATOM 291 CG1 VAL A 19 -4.109 -2.566 -8.120 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.976 -1.281 -6.146 1.00 0.00 C ATOM 0 H VAL A 19 -2.490 -1.772 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.149 -0.689 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.627 -0.497 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.126 -2.902 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.564 -2.477 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.608 -3.290 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.979 -1.638 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.502 -1.967 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.039 -0.289 -5.698 1.00 0.00 H new ATOM 302 N CYS A 20 -3.277 1.639 -7.365 1.00 0.00 N ATOM 303 CA CYS A 20 -3.384 3.026 -6.945 1.00 0.00 C ATOM 304 C CYS A 20 -4.841 3.419 -6.722 1.00 0.00 C ATOM 305 O CYS A 20 -5.641 3.477 -7.661 1.00 0.00 O ATOM 306 CB CYS A 20 -2.726 3.952 -7.975 1.00 0.00 C ATOM 307 SG CYS A 20 -3.260 3.682 -9.681 1.00 0.00 S ATOM 0 H CYS A 20 -3.602 1.459 -8.315 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.857 3.134 -5.997 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.937 4.986 -7.702 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.645 3.823 -7.922 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.536 3.434 -9.702 1.00 0.00 H new ATOM 313 N ALA A 21 -5.178 3.671 -5.469 1.00 0.00 N ATOM 314 CA ALA A 21 -6.520 4.075 -5.095 1.00 0.00 C ATOM 315 C ALA A 21 -6.568 5.570 -4.821 1.00 0.00 C ATOM 316 O ALA A 21 -5.889 6.069 -3.927 1.00 0.00 O ATOM 317 CB ALA A 21 -6.977 3.300 -3.872 1.00 0.00 C ATOM 0 H ALA A 21 -4.530 3.601 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.194 3.854 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.986 3.611 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.974 2.233 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.300 3.499 -3.041 1.00 0.00 H new ATOM 323 N LEU A 22 -7.352 6.284 -5.604 1.00 0.00 N ATOM 324 CA LEU A 22 -7.493 7.717 -5.423 1.00 0.00 C ATOM 325 C LEU A 22 -8.567 8.024 -4.382 1.00 0.00 C ATOM 326 O LEU A 22 -9.764 7.820 -4.624 1.00 0.00 O ATOM 327 CB LEU A 22 -7.828 8.396 -6.754 1.00 0.00 C ATOM 328 CG LEU A 22 -6.760 8.266 -7.843 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.215 8.966 -9.115 1.00 0.00 C ATOM 330 CD2 LEU A 22 -5.429 8.832 -7.361 1.00 0.00 C ATOM 0 H LEU A 22 -7.901 5.897 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.543 8.112 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.761 7.977 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.006 9.455 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.617 7.208 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.446 8.865 -9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.141 8.512 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.385 10.023 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.683 8.730 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.551 9.886 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.100 8.285 -6.477 1.00 0.00 H new ATOM 342 N LEU A 23 -8.124 8.473 -3.216 1.00 0.00 N ATOM 343 CA LEU A 23 -9.023 8.914 -2.162 1.00 0.00 C ATOM 344 C LEU A 23 -8.941 10.429 -2.059 1.00 0.00 C ATOM 345 O LEU A 23 -7.977 10.970 -1.516 1.00 0.00 O ATOM 346 CB LEU A 23 -8.645 8.266 -0.825 1.00 0.00 C ATOM 347 CG LEU A 23 -9.572 8.594 0.348 1.00 0.00 C ATOM 348 CD1 LEU A 23 -10.949 7.999 0.120 1.00 0.00 C ATOM 349 CD2 LEU A 23 -8.981 8.086 1.656 1.00 0.00 C ATOM 0 H LEU A 23 -7.135 8.541 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.043 8.614 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.624 7.184 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.633 8.575 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.671 9.677 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.595 8.242 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.376 8.411 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.867 6.916 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.654 8.329 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.850 7.005 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.014 8.560 1.827 1.00 0.00 H new ATOM 361 N GLY A 24 -9.932 11.112 -2.610 1.00 0.00 N ATOM 362 CA GLY A 24 -9.865 12.556 -2.703 1.00 0.00 C ATOM 363 C GLY A 24 -8.857 12.973 -3.751 1.00 0.00 C ATOM 364 O GLY A 24 -9.130 12.903 -4.954 1.00 0.00 O ATOM 0 H GLY A 24 -10.780 10.694 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.847 12.956 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.588 12.976 -1.736 1.00 0.00 H new ATOM 368 N ASP A 25 -7.689 13.399 -3.303 1.00 0.00 N ATOM 369 CA ASP A 25 -6.569 13.651 -4.199 1.00 0.00 C ATOM 370 C ASP A 25 -5.332 12.936 -3.676 1.00 0.00 C ATOM 371 O ASP A 25 -4.256 12.997 -4.275 1.00 0.00 O ATOM 372 CB ASP A 25 -6.299 15.154 -4.349 1.00 0.00 C ATOM 373 CG ASP A 25 -5.641 15.772 -3.130 1.00 0.00 C ATOM 374 OD1 ASP A 25 -6.358 16.106 -2.164 1.00 0.00 O ATOM 375 OD2 ASP A 25 -4.407 15.968 -3.152 1.00 0.00 O ATOM 0 H ASP A 25 -7.489 13.579 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.821 13.265 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.662 15.316 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.241 15.667 -4.544 1.00 0.00 H new ATOM 380 N GLU A 26 -5.502 12.240 -2.561 1.00 0.00 N ATOM 381 CA GLU A 26 -4.409 11.513 -1.940 1.00 0.00 C ATOM 382 C GLU A 26 -4.326 10.101 -2.506 1.00 0.00 C ATOM 383 O GLU A 26 -5.294 9.338 -2.461 1.00 0.00 O ATOM 384 CB GLU A 26 -4.589 11.486 -0.421 1.00 0.00 C ATOM 385 CG GLU A 26 -4.482 12.862 0.214 1.00 0.00 C ATOM 386 CD GLU A 26 -4.823 12.863 1.689 1.00 0.00 C ATOM 387 OE1 GLU A 26 -3.928 12.591 2.519 1.00 0.00 O ATOM 388 OE2 GLU A 26 -5.989 13.149 2.026 1.00 0.00 O ATOM 0 H GLU A 26 -6.391 12.165 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.472 12.023 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.563 11.057 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.836 10.830 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.468 13.239 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.148 13.549 -0.307 1.00 0.00 H new ATOM 395 N GLN A 27 -3.169 9.771 -3.059 1.00 0.00 N ATOM 396 CA GLN A 27 -2.973 8.480 -3.693 1.00 0.00 C ATOM 397 C GLN A 27 -2.677 7.405 -2.658 1.00 0.00 C ATOM 398 O GLN A 27 -1.683 7.477 -1.929 1.00 0.00 O ATOM 399 CB GLN A 27 -1.838 8.546 -4.712 1.00 0.00 C ATOM 400 CG GLN A 27 -2.007 9.644 -5.748 1.00 0.00 C ATOM 401 CD GLN A 27 -1.026 9.511 -6.897 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.641 8.401 -7.270 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.609 10.633 -7.459 1.00 0.00 N ATOM 0 H GLN A 27 -2.352 10.381 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.897 8.220 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.897 8.699 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.764 7.586 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.025 9.618 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.873 10.614 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.953 11.532 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.056 10.600 -8.232 1.00 0.00 H new ATOM 412 N VAL A 28 -3.549 6.417 -2.600 1.00 0.00 N ATOM 413 CA VAL A 28 -3.381 5.288 -1.706 1.00 0.00 C ATOM 414 C VAL A 28 -2.808 4.100 -2.468 1.00 0.00 C ATOM 415 O VAL A 28 -3.278 3.767 -3.554 1.00 0.00 O ATOM 416 CB VAL A 28 -4.727 4.877 -1.072 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.532 3.755 -0.067 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.403 6.073 -0.421 1.00 0.00 C ATOM 0 H VAL A 28 -4.393 6.374 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.695 5.588 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.377 4.510 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.495 3.483 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.102 2.888 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.859 4.088 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.350 5.761 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.756 6.477 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.588 6.840 -1.173 1.00 0.00 H new ATOM 428 N ALA A 29 -1.785 3.480 -1.911 1.00 0.00 N ATOM 429 CA ALA A 29 -1.196 2.294 -2.509 1.00 0.00 C ATOM 430 C ALA A 29 -1.720 1.050 -1.815 1.00 0.00 C ATOM 431 O ALA A 29 -1.368 0.774 -0.669 1.00 0.00 O ATOM 432 CB ALA A 29 0.322 2.348 -2.428 1.00 0.00 C ATOM 0 H ALA A 29 -1.342 3.778 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.478 2.257 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.743 1.450 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.684 3.227 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.629 2.405 -1.384 1.00 0.00 H new ATOM 438 N ILE A 30 -2.574 0.315 -2.505 1.00 0.00 N ATOM 439 CA ILE A 30 -3.165 -0.887 -1.941 1.00 0.00 C ATOM 440 C ILE A 30 -2.445 -2.115 -2.468 1.00 0.00 C ATOM 441 O ILE A 30 -2.631 -2.511 -3.621 1.00 0.00 O ATOM 442 CB ILE A 30 -4.672 -0.996 -2.261 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.414 0.244 -1.753 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.253 -2.259 -1.634 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.904 0.216 -2.015 1.00 0.00 C ATOM 0 H ILE A 30 -2.874 0.529 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.056 -0.827 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.798 -1.055 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.245 0.343 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.988 1.129 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.316 -2.325 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.739 -3.133 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.120 -2.223 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.359 1.127 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.084 0.150 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.344 -0.649 -1.519 1.00 0.00 H new ATOM 457 N PHE A 31 -1.606 -2.695 -1.633 1.00 0.00 N ATOM 458 CA PHE A 31 -0.815 -3.847 -2.024 1.00 0.00 C ATOM 459 C PHE A 31 -1.474 -5.140 -1.586 1.00 0.00 C ATOM 460 O PHE A 31 -1.788 -5.321 -0.407 1.00 0.00 O ATOM 461 CB PHE A 31 0.588 -3.776 -1.414 1.00 0.00 C ATOM 462 CG PHE A 31 1.455 -2.697 -1.991 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.240 -2.948 -3.104 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.491 -1.437 -1.420 1.00 0.00 C ATOM 465 CE1 PHE A 31 3.044 -1.961 -3.637 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.294 -0.446 -1.947 1.00 0.00 C ATOM 467 CZ PHE A 31 3.072 -0.708 -3.056 1.00 0.00 C ATOM 0 H PHE A 31 -1.453 -2.386 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.743 -3.833 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.497 -3.618 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.082 -4.737 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.223 -3.927 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.884 -1.227 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.650 -2.168 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.313 0.533 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.702 0.066 -3.469 1.00 0.00 H new ATOM 477 N ARG A 32 -1.701 -6.027 -2.539 1.00 0.00 N ATOM 478 CA ARG A 32 -2.049 -7.397 -2.228 1.00 0.00 C ATOM 479 C ARG A 32 -0.775 -8.219 -2.342 1.00 0.00 C ATOM 480 O ARG A 32 -0.356 -8.564 -3.441 1.00 0.00 O ATOM 481 CB ARG A 32 -3.114 -7.912 -3.204 1.00 0.00 C ATOM 482 CG ARG A 32 -3.567 -9.339 -2.942 1.00 0.00 C ATOM 483 CD ARG A 32 -4.541 -9.814 -4.011 1.00 0.00 C ATOM 484 NE ARG A 32 -5.026 -11.169 -3.752 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.953 -11.792 -4.482 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.481 -11.203 -5.546 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.344 -13.015 -4.152 1.00 0.00 N ATOM 0 H ARG A 32 -1.650 -5.820 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.465 -7.473 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.981 -7.254 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.721 -7.849 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.700 -9.999 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.041 -9.398 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.388 -9.129 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.052 -9.785 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.628 -11.672 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.179 -10.266 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.189 -11.687 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.936 -13.479 -3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.053 -13.492 -4.710 1.00 0.00 H new ATOM 501 N PRO A 33 -0.131 -8.519 -1.208 1.00 0.00 N ATOM 502 CA PRO A 33 1.173 -9.174 -1.182 1.00 0.00 C ATOM 503 C PRO A 33 1.092 -10.691 -1.062 1.00 0.00 C ATOM 504 O PRO A 33 2.113 -11.377 -1.045 1.00 0.00 O ATOM 505 CB PRO A 33 1.787 -8.568 0.069 1.00 0.00 C ATOM 506 CG PRO A 33 0.636 -8.406 1.005 1.00 0.00 C ATOM 507 CD PRO A 33 -0.592 -8.191 0.150 1.00 0.00 C ATOM 0 HA PRO A 33 1.737 -9.020 -2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.554 -9.218 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.263 -7.611 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.521 -9.289 1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.796 -7.559 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.414 -8.835 0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.950 -7.164 0.214 1.00 0.00 H new ATOM 515 N TYR A 34 -0.121 -11.206 -0.965 1.00 0.00 N ATOM 516 CA TYR A 34 -0.331 -12.640 -0.871 1.00 0.00 C ATOM 517 C TYR A 34 -1.338 -13.096 -1.909 1.00 0.00 C ATOM 518 O TYR A 34 -1.918 -12.279 -2.628 1.00 0.00 O ATOM 519 CB TYR A 34 -0.808 -13.035 0.531 1.00 0.00 C ATOM 520 CG TYR A 34 0.281 -13.016 1.582 1.00 0.00 C ATOM 521 CD1 TYR A 34 1.270 -13.993 1.599 1.00 0.00 C ATOM 522 CD2 TYR A 34 0.315 -12.030 2.563 1.00 0.00 C ATOM 523 CE1 TYR A 34 2.261 -13.989 2.561 1.00 0.00 C ATOM 524 CE2 TYR A 34 1.306 -12.020 3.527 1.00 0.00 C ATOM 525 CZ TYR A 34 2.276 -13.002 3.522 1.00 0.00 C ATOM 526 OH TYR A 34 3.271 -12.993 4.476 1.00 0.00 O ATOM 0 H TYR A 34 -0.977 -10.651 -0.949 1.00 0.00 H new ATOM 0 HA TYR A 34 0.623 -13.132 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.605 -12.357 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.239 -14.035 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.263 -14.768 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.444 -11.261 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.021 -14.756 2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.321 -11.247 4.281 1.00 0.00 H new ATOM 0 HH TYR A 34 3.139 -12.232 5.079 1.00 0.00 H new ATOM 536 N HIS A 35 -1.553 -14.400 -1.979 1.00 0.00 N ATOM 537 CA HIS A 35 -2.518 -14.960 -2.913 1.00 0.00 C ATOM 538 C HIS A 35 -3.913 -14.894 -2.306 1.00 0.00 C ATOM 539 O HIS A 35 -4.914 -15.135 -2.976 1.00 0.00 O ATOM 540 CB HIS A 35 -2.158 -16.410 -3.270 1.00 0.00 C ATOM 541 CG HIS A 35 -0.803 -16.559 -3.898 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.610 -16.736 -5.250 1.00 0.00 N ATOM 543 CD2 HIS A 35 0.433 -16.555 -3.345 1.00 0.00 C ATOM 544 CE1 HIS A 35 0.682 -16.832 -5.497 1.00 0.00 C ATOM 545 NE2 HIS A 35 1.338 -16.725 -4.360 1.00 0.00 N ATOM 0 H HIS A 35 -1.073 -15.090 -1.401 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.497 -14.374 -3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.198 -17.018 -2.366 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.910 -16.804 -3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.663 -16.439 -2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.128 -16.975 -6.470 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.352 -16.762 -4.253 1.00 0.00 H new ATOM 554 N SER A 36 -3.962 -14.546 -1.028 1.00 0.00 N ATOM 555 CA SER A 36 -5.212 -14.423 -0.302 1.00 0.00 C ATOM 556 C SER A 36 -5.774 -13.007 -0.433 1.00 0.00 C ATOM 557 O SER A 36 -5.276 -12.209 -1.227 1.00 0.00 O ATOM 558 CB SER A 36 -4.973 -14.773 1.163 1.00 0.00 C ATOM 559 OG SER A 36 -3.845 -14.079 1.670 1.00 0.00 O ATOM 0 H SER A 36 -3.135 -14.342 -0.468 1.00 0.00 H new ATOM 0 HA SER A 36 -5.944 -15.111 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.855 -14.520 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.820 -15.847 1.264 1.00 0.00 H new ATOM 0 HG SER A 36 -3.711 -14.317 2.611 1.00 0.00 H new ATOM 565 N ASP A 37 -6.798 -12.697 0.355 1.00 0.00 N ATOM 566 CA ASP A 37 -7.464 -11.394 0.286 1.00 0.00 C ATOM 567 C ASP A 37 -6.841 -10.399 1.264 1.00 0.00 C ATOM 568 O ASP A 37 -7.454 -9.391 1.620 1.00 0.00 O ATOM 569 CB ASP A 37 -8.967 -11.544 0.566 1.00 0.00 C ATOM 570 CG ASP A 37 -9.263 -12.196 1.901 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.217 -13.443 1.977 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.551 -11.475 2.879 1.00 0.00 O ATOM 0 H ASP A 37 -7.189 -13.331 1.052 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.329 -11.004 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.435 -10.560 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.421 -12.136 -0.229 1.00 0.00 H new ATOM 577 N GLN A 38 -5.615 -10.676 1.685 1.00 0.00 N ATOM 578 CA GLN A 38 -4.895 -9.780 2.579 1.00 0.00 C ATOM 579 C GLN A 38 -4.348 -8.592 1.800 1.00 0.00 C ATOM 580 O GLN A 38 -3.488 -8.758 0.935 1.00 0.00 O ATOM 581 CB GLN A 38 -3.749 -10.523 3.269 1.00 0.00 C ATOM 582 CG GLN A 38 -4.211 -11.723 4.084 1.00 0.00 C ATOM 583 CD GLN A 38 -5.072 -11.334 5.269 1.00 0.00 C ATOM 584 OE1 GLN A 38 -5.996 -12.057 5.642 1.00 0.00 O ATOM 585 NE2 GLN A 38 -4.753 -10.211 5.892 1.00 0.00 N ATOM 0 H GLN A 38 -5.098 -11.515 1.422 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.587 -9.419 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.037 -10.858 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.219 -9.831 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.773 -12.399 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.339 -12.272 4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.980 -9.640 5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.280 -9.916 6.714 1.00 0.00 H new ATOM 594 N VAL A 39 -4.854 -7.401 2.095 1.00 0.00 N ATOM 595 CA VAL A 39 -4.432 -6.198 1.393 1.00 0.00 C ATOM 596 C VAL A 39 -3.944 -5.146 2.381 1.00 0.00 C ATOM 597 O VAL A 39 -4.521 -4.971 3.454 1.00 0.00 O ATOM 598 CB VAL A 39 -5.571 -5.608 0.526 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.874 -6.523 -0.652 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.830 -5.383 1.354 1.00 0.00 C ATOM 0 H VAL A 39 -5.558 -7.244 2.816 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.614 -6.482 0.731 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.236 -4.643 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.677 -6.092 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.981 -6.631 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.181 -7.502 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.613 -4.968 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.166 -6.332 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.613 -4.687 2.164 1.00 0.00 H new ATOM 610 N PHE A 40 -2.868 -4.464 2.025 1.00 0.00 N ATOM 611 CA PHE A 40 -2.308 -3.429 2.876 1.00 0.00 C ATOM 612 C PHE A 40 -2.214 -2.119 2.111 1.00 0.00 C ATOM 613 O PHE A 40 -1.606 -2.055 1.044 1.00 0.00 O ATOM 614 CB PHE A 40 -0.927 -3.846 3.383 1.00 0.00 C ATOM 615 CG PHE A 40 -0.936 -5.134 4.154 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.547 -5.208 5.395 1.00 0.00 C ATOM 617 CD2 PHE A 40 -0.336 -6.271 3.639 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.560 -6.392 6.106 1.00 0.00 C ATOM 619 CE2 PHE A 40 -0.343 -7.458 4.346 1.00 0.00 C ATOM 620 CZ PHE A 40 -0.957 -7.519 5.582 1.00 0.00 C ATOM 0 H PHE A 40 -2.364 -4.610 1.150 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.965 -3.289 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.251 -3.945 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.527 -3.055 4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.018 -4.330 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.144 -6.229 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.042 -6.437 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.131 -8.336 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.966 -8.445 6.137 1.00 0.00 H new ATOM 630 N ALA A 41 -2.824 -1.079 2.653 1.00 0.00 N ATOM 631 CA ALA A 41 -2.862 0.212 1.987 1.00 0.00 C ATOM 632 C ALA A 41 -1.974 1.227 2.692 1.00 0.00 C ATOM 633 O ALA A 41 -2.122 1.472 3.891 1.00 0.00 O ATOM 634 CB ALA A 41 -4.290 0.724 1.913 1.00 0.00 C ATOM 0 H ALA A 41 -3.301 -1.103 3.554 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.479 0.078 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.304 1.692 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.902 0.017 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.691 0.832 2.921 1.00 0.00 H new ATOM 640 N ILE A 42 -1.053 1.809 1.944 1.00 0.00 N ATOM 641 CA ILE A 42 -0.169 2.843 2.469 1.00 0.00 C ATOM 642 C ILE A 42 -0.166 4.052 1.539 1.00 0.00 C ATOM 643 O ILE A 42 -0.956 4.118 0.598 1.00 0.00 O ATOM 644 CB ILE A 42 1.280 2.327 2.644 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.815 1.757 1.325 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.345 1.284 3.752 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.256 1.305 1.400 1.00 0.00 C ATOM 0 H ILE A 42 -0.895 1.583 0.962 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.549 3.129 3.450 1.00 0.00 H new ATOM 0 HB ILE A 42 1.913 3.167 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.194 0.913 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.721 2.515 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.371 0.932 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.012 1.728 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.698 0.444 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.565 0.914 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.889 2.151 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.354 0.524 2.154 1.00 0.00 H new ATOM 659 N SER A 43 0.703 5.012 1.811 1.00 0.00 N ATOM 660 CA SER A 43 0.836 6.174 0.949 1.00 0.00 C ATOM 661 C SER A 43 1.504 5.772 -0.367 1.00 0.00 C ATOM 662 O SER A 43 2.582 5.183 -0.367 1.00 0.00 O ATOM 663 CB SER A 43 1.646 7.259 1.658 1.00 0.00 C ATOM 664 OG SER A 43 1.087 7.548 2.931 1.00 0.00 O ATOM 0 H SER A 43 1.325 5.009 2.619 1.00 0.00 H new ATOM 0 HA SER A 43 -0.154 6.573 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.679 6.932 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.665 8.163 1.049 1.00 0.00 H new ATOM 0 HG SER A 43 0.974 8.517 3.026 1.00 0.00 H new ATOM 670 N ASN A 44 0.845 6.077 -1.480 1.00 0.00 N ATOM 671 CA ASN A 44 1.338 5.677 -2.799 1.00 0.00 C ATOM 672 C ASN A 44 2.463 6.600 -3.259 1.00 0.00 C ATOM 673 O ASN A 44 3.303 6.219 -4.070 1.00 0.00 O ATOM 674 CB ASN A 44 0.185 5.693 -3.806 1.00 0.00 C ATOM 675 CG ASN A 44 0.531 5.041 -5.130 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.349 4.122 -5.200 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.107 5.502 -6.192 1.00 0.00 N ATOM 0 H ASN A 44 -0.031 6.599 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 44 1.740 4.666 -2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.674 5.182 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.116 6.725 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.071 5.095 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.777 6.264 -6.093 1.00 0.00 H new ATOM 684 N ILE A 45 2.467 7.810 -2.727 1.00 0.00 N ATOM 685 CA ILE A 45 3.506 8.785 -3.018 1.00 0.00 C ATOM 686 C ILE A 45 4.409 8.943 -1.795 1.00 0.00 C ATOM 687 O ILE A 45 3.918 9.099 -0.675 1.00 0.00 O ATOM 688 CB ILE A 45 2.896 10.158 -3.377 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.053 10.057 -4.652 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.985 11.208 -3.532 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.828 9.593 -5.868 1.00 0.00 C ATOM 0 H ILE A 45 1.751 8.145 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 45 4.082 8.427 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 45 2.243 10.466 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.227 9.368 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.615 11.032 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.533 12.167 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.536 11.302 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.669 10.909 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.161 9.548 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.638 10.294 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.244 8.603 -5.679 1.00 0.00 H new ATOM 703 N ASP A 46 5.716 8.883 -2.012 1.00 0.00 N ATOM 704 CA ASP A 46 6.691 9.043 -0.930 1.00 0.00 C ATOM 705 C ASP A 46 6.673 10.481 -0.404 1.00 0.00 C ATOM 706 O ASP A 46 6.681 11.428 -1.191 1.00 0.00 O ATOM 707 CB ASP A 46 8.088 8.687 -1.441 1.00 0.00 C ATOM 708 CG ASP A 46 9.143 8.683 -0.352 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.415 9.751 0.227 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.731 7.616 -0.107 1.00 0.00 O ATOM 0 H ASP A 46 6.131 8.724 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 46 6.426 8.373 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.056 7.703 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.377 9.399 -2.214 1.00 0.00 H new ATOM 715 N PRO A 47 6.618 10.661 0.926 1.00 0.00 N ATOM 716 CA PRO A 47 6.583 11.977 1.557 1.00 0.00 C ATOM 717 C PRO A 47 7.968 12.537 1.920 1.00 0.00 C ATOM 718 O PRO A 47 8.270 13.697 1.628 1.00 0.00 O ATOM 719 CB PRO A 47 5.762 11.726 2.833 1.00 0.00 C ATOM 720 CG PRO A 47 5.661 10.232 2.990 1.00 0.00 C ATOM 721 CD PRO A 47 6.529 9.604 1.931 1.00 0.00 C ATOM 0 HA PRO A 47 6.166 12.724 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.246 12.175 3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.772 12.175 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.989 9.928 3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.627 9.904 2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.510 9.331 2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.082 8.696 1.526 1.00 0.00 H new ATOM 729 N PHE A 48 8.795 11.713 2.560 1.00 0.00 N ATOM 730 CA PHE A 48 10.090 12.152 3.088 1.00 0.00 C ATOM 731 C PHE A 48 11.078 12.451 1.963 1.00 0.00 C ATOM 732 O PHE A 48 11.753 13.483 1.960 1.00 0.00 O ATOM 733 CB PHE A 48 10.661 11.064 4.007 1.00 0.00 C ATOM 734 CG PHE A 48 11.959 11.425 4.675 1.00 0.00 C ATOM 735 CD1 PHE A 48 11.964 12.133 5.865 1.00 0.00 C ATOM 736 CD2 PHE A 48 13.172 11.041 4.122 1.00 0.00 C ATOM 737 CE1 PHE A 48 13.154 12.454 6.491 1.00 0.00 C ATOM 738 CE2 PHE A 48 14.363 11.361 4.742 1.00 0.00 C ATOM 739 CZ PHE A 48 14.355 12.068 5.928 1.00 0.00 C ATOM 0 H PHE A 48 8.591 10.728 2.728 1.00 0.00 H new ATOM 0 HA PHE A 48 9.936 13.072 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.924 10.833 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.808 10.155 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.028 12.438 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.185 10.485 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.145 13.006 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 48 15.301 11.059 4.300 1.00 0.00 H new ATOM 0 HZ PHE A 48 15.286 12.319 6.415 1.00 0.00 H new ATOM 749 N PHE A 49 11.153 11.537 1.018 1.00 0.00 N ATOM 750 CA PHE A 49 12.078 11.631 -0.097 1.00 0.00 C ATOM 751 C PHE A 49 11.342 12.183 -1.314 1.00 0.00 C ATOM 752 O PHE A 49 11.932 12.838 -2.174 1.00 0.00 O ATOM 753 CB PHE A 49 12.641 10.229 -0.373 1.00 0.00 C ATOM 754 CG PHE A 49 13.623 10.130 -1.510 1.00 0.00 C ATOM 755 CD1 PHE A 49 13.186 9.891 -2.803 1.00 0.00 C ATOM 756 CD2 PHE A 49 14.985 10.236 -1.279 1.00 0.00 C ATOM 757 CE1 PHE A 49 14.084 9.758 -3.842 1.00 0.00 C ATOM 758 CE2 PHE A 49 15.889 10.110 -2.317 1.00 0.00 C ATOM 759 CZ PHE A 49 15.436 9.868 -3.599 1.00 0.00 C ATOM 0 H PHE A 49 10.570 10.700 1.000 1.00 0.00 H new ATOM 0 HA PHE A 49 12.903 12.306 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.126 9.868 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.808 9.557 -0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.127 9.808 -3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 49 15.344 10.419 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.728 9.568 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 49 16.948 10.201 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.141 9.765 -4.411 1.00 0.00 H new ATOM 769 N GLU A 50 10.038 11.924 -1.336 1.00 0.00 N ATOM 770 CA GLU A 50 9.154 12.285 -2.440 1.00 0.00 C ATOM 771 C GLU A 50 9.488 11.476 -3.682 1.00 0.00 C ATOM 772 O GLU A 50 10.547 11.630 -4.292 1.00 0.00 O ATOM 773 CB GLU A 50 9.167 13.784 -2.760 1.00 0.00 C ATOM 774 CG GLU A 50 8.112 14.156 -3.793 1.00 0.00 C ATOM 775 CD GLU A 50 8.097 15.627 -4.137 1.00 0.00 C ATOM 776 OE1 GLU A 50 8.804 16.024 -5.084 1.00 0.00 O ATOM 777 OE2 GLU A 50 7.357 16.389 -3.480 1.00 0.00 O ATOM 0 H GLU A 50 9.557 11.448 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 50 8.142 12.045 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.995 14.351 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.152 14.067 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.286 13.580 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.130 13.869 -3.417 1.00 0.00 H new ATOM 784 N SER A 51 8.582 10.595 -4.041 1.00 0.00 N ATOM 785 CA SER A 51 8.764 9.739 -5.191 1.00 0.00 C ATOM 786 C SER A 51 7.420 9.489 -5.854 1.00 0.00 C ATOM 787 O SER A 51 6.404 10.045 -5.428 1.00 0.00 O ATOM 788 CB SER A 51 9.414 8.420 -4.764 1.00 0.00 C ATOM 789 OG SER A 51 10.609 8.660 -4.034 1.00 0.00 O ATOM 0 H SER A 51 7.702 10.452 -3.546 1.00 0.00 H new ATOM 0 HA SER A 51 9.423 10.227 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.717 7.847 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.635 7.817 -5.644 1.00 0.00 H new ATOM 0 HG SER A 51 11.297 9.009 -4.638 1.00 0.00 H new ATOM 795 N SER A 52 7.415 8.671 -6.889 1.00 0.00 N ATOM 796 CA SER A 52 6.186 8.349 -7.589 1.00 0.00 C ATOM 797 C SER A 52 5.480 7.171 -6.930 1.00 0.00 C ATOM 798 O SER A 52 5.772 6.821 -5.785 1.00 0.00 O ATOM 799 CB SER A 52 6.498 8.027 -9.050 1.00 0.00 C ATOM 800 OG SER A 52 7.342 9.014 -9.622 1.00 0.00 O ATOM 0 H SER A 52 8.248 8.217 -7.264 1.00 0.00 H new ATOM 0 HA SER A 52 5.521 9.211 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.978 7.051 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.570 7.964 -9.618 1.00 0.00 H new ATOM 0 HG SER A 52 7.528 8.784 -10.556 1.00 0.00 H new ATOM 806 N VAL A 53 4.568 6.562 -7.672 1.00 0.00 N ATOM 807 CA VAL A 53 3.719 5.505 -7.149 1.00 0.00 C ATOM 808 C VAL A 53 4.513 4.235 -6.840 1.00 0.00 C ATOM 809 O VAL A 53 5.421 3.846 -7.580 1.00 0.00 O ATOM 810 CB VAL A 53 2.581 5.172 -8.144 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.805 6.430 -8.503 1.00 0.00 C ATOM 812 CG2 VAL A 53 3.119 4.509 -9.403 1.00 0.00 C ATOM 0 H VAL A 53 4.396 6.787 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 53 3.291 5.875 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 53 1.908 4.467 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.008 6.179 -9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.372 6.860 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.478 7.154 -8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.293 4.289 -10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.823 5.180 -9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.627 3.582 -9.137 1.00 0.00 H new ATOM 822 N LEU A 54 4.157 3.597 -5.733 1.00 0.00 N ATOM 823 CA LEU A 54 4.798 2.357 -5.316 1.00 0.00 C ATOM 824 C LEU A 54 4.119 1.163 -5.982 1.00 0.00 C ATOM 825 O LEU A 54 4.549 0.023 -5.829 1.00 0.00 O ATOM 826 CB LEU A 54 4.747 2.218 -3.792 1.00 0.00 C ATOM 827 CG LEU A 54 5.408 3.357 -3.011 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.254 3.137 -1.515 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.879 3.485 -3.388 1.00 0.00 C ATOM 0 H LEU A 54 3.422 3.921 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 54 5.843 2.382 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.704 2.146 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.228 1.280 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 54 4.907 4.289 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.730 3.956 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.195 3.101 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.727 2.196 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.330 4.300 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.396 2.553 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.964 3.693 -4.455 1.00 0.00 H new ATOM 841 N SER A 55 3.056 1.452 -6.731 1.00 0.00 N ATOM 842 CA SER A 55 2.311 0.438 -7.475 1.00 0.00 C ATOM 843 C SER A 55 3.199 -0.238 -8.527 1.00 0.00 C ATOM 844 O SER A 55 2.915 -1.345 -8.983 1.00 0.00 O ATOM 845 CB SER A 55 1.083 1.098 -8.126 1.00 0.00 C ATOM 846 OG SER A 55 0.371 0.198 -8.958 1.00 0.00 O ATOM 0 H SER A 55 2.687 2.397 -6.839 1.00 0.00 H new ATOM 0 HA SER A 55 1.979 -0.341 -6.789 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.419 1.474 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.404 1.958 -8.714 1.00 0.00 H new ATOM 0 HG SER A 55 0.309 -0.675 -8.518 1.00 0.00 H new ATOM 852 N ARG A 56 4.289 0.424 -8.884 1.00 0.00 N ATOM 853 CA ARG A 56 5.233 -0.094 -9.860 1.00 0.00 C ATOM 854 C ARG A 56 6.491 -0.612 -9.147 1.00 0.00 C ATOM 855 O ARG A 56 7.617 -0.423 -9.605 1.00 0.00 O ATOM 856 CB ARG A 56 5.553 0.991 -10.902 1.00 0.00 C ATOM 857 CG ARG A 56 6.497 0.541 -12.007 1.00 0.00 C ATOM 858 CD ARG A 56 6.413 1.432 -13.240 1.00 0.00 C ATOM 859 NE ARG A 56 6.373 2.860 -12.914 1.00 0.00 N ATOM 860 CZ ARG A 56 7.385 3.705 -13.109 1.00 0.00 C ATOM 861 NH1 ARG A 56 8.576 3.254 -13.482 1.00 0.00 N ATOM 862 NH2 ARG A 56 7.209 5.007 -12.901 1.00 0.00 N ATOM 0 H ARG A 56 4.543 1.336 -8.504 1.00 0.00 H new ATOM 0 HA ARG A 56 4.794 -0.937 -10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.621 1.331 -11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.992 1.849 -10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.520 0.542 -11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.261 -0.486 -12.287 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.272 1.236 -13.882 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.522 1.170 -13.810 1.00 0.00 H new ATOM 0 HE ARG A 56 5.513 3.232 -12.511 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.722 2.254 -13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.345 3.907 -13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.301 5.356 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.982 5.656 -13.049 1.00 0.00 H new ATOM 876 N GLY A 57 6.288 -1.278 -8.017 1.00 0.00 N ATOM 877 CA GLY A 57 7.406 -1.761 -7.233 1.00 0.00 C ATOM 878 C GLY A 57 7.216 -3.193 -6.773 1.00 0.00 C ATOM 879 O GLY A 57 6.106 -3.725 -6.809 1.00 0.00 O ATOM 0 H GLY A 57 5.369 -1.492 -7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.318 -1.691 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.541 -1.118 -6.363 1.00 0.00 H new ATOM 883 N LEU A 58 8.306 -3.811 -6.332 1.00 0.00 N ATOM 884 CA LEU A 58 8.310 -5.238 -6.029 1.00 0.00 C ATOM 885 C LEU A 58 8.108 -5.483 -4.539 1.00 0.00 C ATOM 886 O LEU A 58 8.563 -4.706 -3.702 1.00 0.00 O ATOM 887 CB LEU A 58 9.627 -5.896 -6.480 1.00 0.00 C ATOM 888 CG LEU A 58 9.895 -5.926 -7.996 1.00 0.00 C ATOM 889 CD1 LEU A 58 8.673 -6.430 -8.755 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.325 -4.555 -8.506 1.00 0.00 C ATOM 0 H LEU A 58 9.200 -3.345 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 58 7.482 -5.687 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.453 -5.373 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.640 -6.921 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 58 10.715 -6.621 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.888 -6.442 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.429 -7.439 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.827 -5.770 -8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.507 -4.607 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.537 -3.829 -8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.239 -4.248 -7.997 1.00 0.00 H new ATOM 902 N ILE A 59 7.429 -6.573 -4.218 1.00 0.00 N ATOM 903 CA ILE A 59 7.180 -6.941 -2.834 1.00 0.00 C ATOM 904 C ILE A 59 8.146 -8.036 -2.396 1.00 0.00 C ATOM 905 O ILE A 59 8.206 -9.105 -3.007 1.00 0.00 O ATOM 906 CB ILE A 59 5.725 -7.425 -2.639 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.745 -6.319 -3.039 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.492 -7.854 -1.196 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.290 -6.737 -2.981 1.00 0.00 C ATOM 0 H ILE A 59 7.039 -7.221 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 59 7.335 -6.054 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 59 5.555 -8.289 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.893 -5.461 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.978 -5.989 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.462 -8.191 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.172 -8.668 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.675 -7.010 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.659 -5.900 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.125 -7.574 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.038 -7.038 -1.964 1.00 0.00 H new ATOM 921 N ALA A 60 8.906 -7.760 -1.347 1.00 0.00 N ATOM 922 CA ALA A 60 9.851 -8.721 -0.806 1.00 0.00 C ATOM 923 C ALA A 60 9.526 -8.992 0.655 1.00 0.00 C ATOM 924 O ALA A 60 8.561 -8.448 1.189 1.00 0.00 O ATOM 925 CB ALA A 60 11.276 -8.205 -0.952 1.00 0.00 C ATOM 0 H ALA A 60 8.885 -6.869 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 60 9.770 -9.654 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.972 -8.937 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.498 -8.044 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.379 -7.264 -0.412 1.00 0.00 H new ATOM 931 N GLU A 61 10.322 -9.819 1.308 1.00 0.00 N ATOM 932 CA GLU A 61 10.085 -10.126 2.707 1.00 0.00 C ATOM 933 C GLU A 61 11.267 -9.693 3.559 1.00 0.00 C ATOM 934 O GLU A 61 12.422 -9.831 3.155 1.00 0.00 O ATOM 935 CB GLU A 61 9.822 -11.622 2.903 1.00 0.00 C ATOM 936 CG GLU A 61 9.294 -11.961 4.288 1.00 0.00 C ATOM 937 CD GLU A 61 9.075 -13.442 4.494 1.00 0.00 C ATOM 938 OE1 GLU A 61 8.233 -14.033 3.787 1.00 0.00 O ATOM 939 OE2 GLU A 61 9.741 -14.027 5.372 1.00 0.00 O ATOM 0 H GLU A 61 11.130 -10.286 0.897 1.00 0.00 H new ATOM 0 HA GLU A 61 9.200 -9.573 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.104 -11.959 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.746 -12.173 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.997 -11.596 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.353 -11.435 4.450 1.00 0.00 H new ATOM 946 N HIS A 62 10.967 -9.144 4.725 1.00 0.00 N ATOM 947 CA HIS A 62 11.988 -8.827 5.708 1.00 0.00 C ATOM 948 C HIS A 62 12.410 -10.112 6.398 1.00 0.00 C ATOM 949 O HIS A 62 13.569 -10.518 6.330 1.00 0.00 O ATOM 950 CB HIS A 62 11.439 -7.822 6.729 1.00 0.00 C ATOM 951 CG HIS A 62 12.385 -7.486 7.845 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.119 -7.771 9.168 1.00 0.00 N ATOM 953 CD2 HIS A 62 13.585 -6.856 7.835 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.109 -7.330 9.919 1.00 0.00 C ATOM 955 NE2 HIS A 62 14.013 -6.771 9.136 1.00 0.00 N ATOM 0 H HIS A 62 10.018 -8.908 5.014 1.00 0.00 H new ATOM 0 HA HIS A 62 12.851 -8.375 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.172 -6.903 6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.521 -8.224 7.157 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.108 -6.489 6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.170 -7.412 10.994 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.886 -6.346 9.447 1.00 0.00 H new ATOM 964 N GLN A 63 11.430 -10.740 7.037 1.00 0.00 N ATOM 965 CA GLN A 63 11.585 -12.025 7.711 1.00 0.00 C ATOM 966 C GLN A 63 10.316 -12.282 8.513 1.00 0.00 C ATOM 967 O GLN A 63 10.245 -11.985 9.703 1.00 0.00 O ATOM 968 CB GLN A 63 12.823 -12.047 8.624 1.00 0.00 C ATOM 969 CG GLN A 63 13.166 -13.426 9.168 1.00 0.00 C ATOM 970 CD GLN A 63 14.550 -13.487 9.794 1.00 0.00 C ATOM 971 OE1 GLN A 63 14.783 -14.234 10.744 1.00 0.00 O ATOM 972 NE2 GLN A 63 15.487 -12.717 9.255 1.00 0.00 N ATOM 0 H GLN A 63 10.485 -10.362 7.103 1.00 0.00 H new ATOM 0 HA GLN A 63 11.737 -12.810 6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.679 -11.664 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.657 -11.369 9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.423 -13.713 9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.106 -14.155 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.258 -12.110 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.436 -12.732 9.628 1.00 0.00 H new ATOM 981 N GLY A 64 9.294 -12.776 7.833 1.00 0.00 N ATOM 982 CA GLY A 64 7.983 -12.890 8.442 1.00 0.00 C ATOM 983 C GLY A 64 7.042 -11.808 7.934 1.00 0.00 C ATOM 984 O GLY A 64 5.931 -12.094 7.487 1.00 0.00 O ATOM 0 H GLY A 64 9.347 -13.101 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.563 -13.872 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.075 -12.816 9.526 1.00 0.00 H new ATOM 988 N GLU A 65 7.489 -10.556 8.005 1.00 0.00 N ATOM 989 CA GLU A 65 6.727 -9.438 7.457 1.00 0.00 C ATOM 990 C GLU A 65 7.208 -9.083 6.062 1.00 0.00 C ATOM 991 O GLU A 65 8.400 -9.175 5.764 1.00 0.00 O ATOM 992 CB GLU A 65 6.828 -8.205 8.352 1.00 0.00 C ATOM 993 CG GLU A 65 5.731 -8.122 9.394 1.00 0.00 C ATOM 994 CD GLU A 65 5.689 -6.775 10.082 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.456 -5.758 9.395 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.899 -6.724 11.309 1.00 0.00 O ATOM 0 H GLU A 65 8.374 -10.291 8.436 1.00 0.00 H new ATOM 0 HA GLU A 65 5.685 -9.755 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.795 -8.209 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.795 -7.311 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.768 -8.315 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.882 -8.903 10.139 1.00 0.00 H new ATOM 1003 N LEU A 66 6.277 -8.659 5.219 1.00 0.00 N ATOM 1004 CA LEU A 66 6.599 -8.279 3.853 1.00 0.00 C ATOM 1005 C LEU A 66 6.840 -6.776 3.746 1.00 0.00 C ATOM 1006 O LEU A 66 6.128 -5.970 4.352 1.00 0.00 O ATOM 1007 CB LEU A 66 5.476 -8.697 2.901 1.00 0.00 C ATOM 1008 CG LEU A 66 5.175 -10.196 2.863 1.00 0.00 C ATOM 1009 CD1 LEU A 66 4.024 -10.476 1.919 1.00 0.00 C ATOM 1010 CD2 LEU A 66 6.402 -10.983 2.437 1.00 0.00 C ATOM 0 H LEU A 66 5.290 -8.570 5.459 1.00 0.00 H new ATOM 0 HA LEU A 66 7.515 -8.797 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.566 -8.168 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.735 -8.370 1.894 1.00 0.00 H new ATOM 0 HG LEU A 66 4.895 -10.513 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.820 -11.547 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.136 -9.943 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.286 -10.140 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.163 -12.046 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.713 -10.662 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.212 -10.806 3.145 1.00 0.00 H new ATOM 1022 N TRP A 67 7.851 -6.411 2.975 1.00 0.00 N ATOM 1023 CA TRP A 67 8.205 -5.018 2.748 1.00 0.00 C ATOM 1024 C TRP A 67 8.293 -4.761 1.249 1.00 0.00 C ATOM 1025 O TRP A 67 8.695 -5.642 0.489 1.00 0.00 O ATOM 1026 CB TRP A 67 9.549 -4.684 3.415 1.00 0.00 C ATOM 1027 CG TRP A 67 9.502 -4.592 4.918 1.00 0.00 C ATOM 1028 CD1 TRP A 67 8.995 -5.513 5.791 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.010 -3.520 5.722 1.00 0.00 C ATOM 1030 NE1 TRP A 67 9.143 -5.073 7.085 1.00 0.00 N ATOM 1031 CE2 TRP A 67 9.767 -3.851 7.068 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.643 -2.309 5.432 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.138 -3.014 8.120 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 11.010 -1.480 6.475 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.756 -1.836 7.804 1.00 0.00 C ATOM 0 H TRP A 67 8.452 -7.075 2.487 1.00 0.00 H new ATOM 0 HA TRP A 67 7.437 -4.381 3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.277 -5.445 3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.910 -3.735 3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.543 -6.451 5.505 1.00 0.00 H new ATOM 0 HE1 TRP A 67 8.839 -5.573 7.921 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.842 -2.025 4.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 9.944 -3.286 9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.501 -0.542 6.261 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.054 -1.166 8.597 1.00 0.00 H new ATOM 1046 N VAL A 68 7.926 -3.567 0.818 1.00 0.00 N ATOM 1047 CA VAL A 68 7.954 -3.250 -0.601 1.00 0.00 C ATOM 1048 C VAL A 68 9.246 -2.518 -0.961 1.00 0.00 C ATOM 1049 O VAL A 68 9.686 -1.614 -0.245 1.00 0.00 O ATOM 1050 CB VAL A 68 6.721 -2.412 -1.029 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.661 -1.087 -0.283 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.714 -2.181 -2.535 1.00 0.00 C ATOM 0 H VAL A 68 7.608 -2.808 1.421 1.00 0.00 H new ATOM 0 HA VAL A 68 7.917 -4.193 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 68 5.831 -2.983 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.785 -0.526 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.595 -1.275 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.561 -0.509 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.839 -1.591 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.618 -1.646 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.680 -3.141 -3.050 1.00 0.00 H new ATOM 1062 N ALA A 69 9.865 -2.938 -2.057 1.00 0.00 N ATOM 1063 CA ALA A 69 11.109 -2.344 -2.513 1.00 0.00 C ATOM 1064 C ALA A 69 10.861 -1.484 -3.742 1.00 0.00 C ATOM 1065 O ALA A 69 10.268 -1.937 -4.725 1.00 0.00 O ATOM 1066 CB ALA A 69 12.134 -3.428 -2.816 1.00 0.00 C ATOM 0 H ALA A 69 9.520 -3.694 -2.649 1.00 0.00 H new ATOM 0 HA ALA A 69 11.505 -1.709 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.061 -2.967 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.327 -4.008 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.748 -4.086 -3.595 1.00 0.00 H new ATOM 1072 N SER A 70 11.307 -0.242 -3.681 1.00 0.00 N ATOM 1073 CA SER A 70 11.086 0.695 -4.766 1.00 0.00 C ATOM 1074 C SER A 70 12.196 0.592 -5.807 1.00 0.00 C ATOM 1075 O SER A 70 13.380 0.648 -5.474 1.00 0.00 O ATOM 1076 CB SER A 70 11.013 2.124 -4.222 1.00 0.00 C ATOM 1077 OG SER A 70 10.573 3.032 -5.221 1.00 0.00 O ATOM 0 H SER A 70 11.825 0.141 -2.890 1.00 0.00 H new ATOM 0 HA SER A 70 10.139 0.445 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.333 2.158 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.994 2.428 -3.858 1.00 0.00 H new ATOM 0 HG SER A 70 10.230 3.846 -4.796 1.00 0.00 H new ATOM 1083 N PRO A 71 11.824 0.407 -7.083 1.00 0.00 N ATOM 1084 CA PRO A 71 12.762 0.479 -8.196 1.00 0.00 C ATOM 1085 C PRO A 71 12.947 1.919 -8.671 1.00 0.00 C ATOM 1086 O PRO A 71 13.776 2.203 -9.536 1.00 0.00 O ATOM 1087 CB PRO A 71 12.082 -0.362 -9.270 1.00 0.00 C ATOM 1088 CG PRO A 71 10.624 -0.183 -9.020 1.00 0.00 C ATOM 1089 CD PRO A 71 10.459 0.075 -7.539 1.00 0.00 C ATOM 0 HA PRO A 71 13.760 0.127 -7.936 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.357 -0.026 -10.270 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.371 -1.410 -9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.232 0.651 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.069 -1.071 -9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.765 0.894 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.067 -0.801 -7.022 1.00 0.00 H new ATOM 1097 N LEU A 72 12.151 2.819 -8.103 1.00 0.00 N ATOM 1098 CA LEU A 72 12.257 4.242 -8.398 1.00 0.00 C ATOM 1099 C LEU A 72 13.470 4.802 -7.673 1.00 0.00 C ATOM 1100 O LEU A 72 14.280 5.528 -8.244 1.00 0.00 O ATOM 1101 CB LEU A 72 10.986 4.973 -7.953 1.00 0.00 C ATOM 1102 CG LEU A 72 9.679 4.418 -8.524 1.00 0.00 C ATOM 1103 CD1 LEU A 72 8.490 5.130 -7.905 1.00 0.00 C ATOM 1104 CD2 LEU A 72 9.651 4.556 -10.039 1.00 0.00 C ATOM 0 H LEU A 72 11.420 2.585 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 72 12.372 4.387 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.930 4.941 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.071 6.022 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 72 9.619 3.358 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.567 4.725 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.498 4.981 -6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.550 6.196 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.713 4.155 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.734 5.608 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.486 4.003 -10.470 1.00 0.00 H new ATOM 1116 N LYS A 73 13.577 4.440 -6.405 1.00 0.00 N ATOM 1117 CA LYS A 73 14.758 4.722 -5.611 1.00 0.00 C ATOM 1118 C LYS A 73 14.937 3.585 -4.613 1.00 0.00 C ATOM 1119 O LYS A 73 13.964 3.134 -4.006 1.00 0.00 O ATOM 1120 CB LYS A 73 14.658 6.087 -4.895 1.00 0.00 C ATOM 1121 CG LYS A 73 13.791 6.117 -3.636 1.00 0.00 C ATOM 1122 CD LYS A 73 12.330 5.811 -3.930 1.00 0.00 C ATOM 1123 CE LYS A 73 11.501 5.733 -2.655 1.00 0.00 C ATOM 1124 NZ LYS A 73 11.498 7.021 -1.914 1.00 0.00 N ATOM 0 H LYS A 73 12.845 3.942 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 73 15.628 4.787 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.664 6.410 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.265 6.818 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.174 5.392 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.867 7.099 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.921 6.582 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.258 4.866 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.477 5.456 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.897 4.946 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.818 6.968 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.449 7.206 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.225 7.791 -2.558 1.00 0.00 H new ATOM 1138 N LYS A 74 16.162 3.102 -4.478 1.00 0.00 N ATOM 1139 CA LYS A 74 16.444 1.961 -3.616 1.00 0.00 C ATOM 1140 C LYS A 74 16.091 2.287 -2.168 1.00 0.00 C ATOM 1141 O LYS A 74 16.832 2.984 -1.474 1.00 0.00 O ATOM 1142 CB LYS A 74 17.912 1.553 -3.742 1.00 0.00 C ATOM 1143 CG LYS A 74 18.229 0.200 -3.125 1.00 0.00 C ATOM 1144 CD LYS A 74 19.647 -0.236 -3.455 1.00 0.00 C ATOM 1145 CE LYS A 74 19.918 -1.663 -3.003 1.00 0.00 C ATOM 1146 NZ LYS A 74 21.268 -2.128 -3.419 1.00 0.00 N ATOM 0 H LYS A 74 16.980 3.482 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 74 15.827 1.120 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.184 1.533 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.532 2.313 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.104 0.252 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.522 -0.544 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.811 -0.158 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.356 0.438 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.831 -1.723 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.161 -2.326 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.415 -3.104 -3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.342 -2.095 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.992 -1.510 -3.000 1.00 0.00 H new ATOM 1160 N GLN A 75 14.933 1.800 -1.741 1.00 0.00 N ATOM 1161 CA GLN A 75 14.387 2.099 -0.428 1.00 0.00 C ATOM 1162 C GLN A 75 13.213 1.158 -0.161 1.00 0.00 C ATOM 1163 O GLN A 75 12.578 0.684 -1.107 1.00 0.00 O ATOM 1164 CB GLN A 75 13.941 3.566 -0.389 1.00 0.00 C ATOM 1165 CG GLN A 75 13.549 4.070 0.986 1.00 0.00 C ATOM 1166 CD GLN A 75 13.261 5.559 0.978 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.134 5.980 0.746 1.00 0.00 O ATOM 1168 NE2 GLN A 75 14.284 6.365 1.221 1.00 0.00 N ATOM 0 H GLN A 75 14.344 1.183 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 75 15.139 1.950 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.750 4.188 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.094 3.693 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.668 3.531 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.351 3.859 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.207 5.975 1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.148 7.376 1.219 1.00 0.00 H new ATOM 1177 N ARG A 76 12.930 0.877 1.108 1.00 0.00 N ATOM 1178 CA ARG A 76 11.906 -0.106 1.448 1.00 0.00 C ATOM 1179 C ARG A 76 10.868 0.446 2.426 1.00 0.00 C ATOM 1180 O ARG A 76 11.185 1.228 3.328 1.00 0.00 O ATOM 1181 CB ARG A 76 12.551 -1.376 2.013 1.00 0.00 C ATOM 1182 CG ARG A 76 13.475 -1.133 3.196 1.00 0.00 C ATOM 1183 CD ARG A 76 14.158 -2.421 3.630 1.00 0.00 C ATOM 1184 NE ARG A 76 14.936 -3.021 2.542 1.00 0.00 N ATOM 1185 CZ ARG A 76 15.122 -4.333 2.385 1.00 0.00 C ATOM 1186 NH1 ARG A 76 14.590 -5.199 3.242 1.00 0.00 N ATOM 1187 NH2 ARG A 76 15.836 -4.779 1.357 1.00 0.00 N ATOM 0 H ARG A 76 13.389 1.310 1.909 1.00 0.00 H new ATOM 0 HA ARG A 76 11.378 -0.351 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.763 -2.065 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.116 -1.867 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.227 -0.391 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.905 -0.722 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.815 -2.217 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.407 -3.132 3.974 1.00 0.00 H new ATOM 0 HE ARG A 76 15.363 -2.394 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.034 -4.862 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.738 -6.200 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.239 -4.119 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.981 -5.781 1.233 1.00 0.00 H new ATOM 1201 N PHE A 77 9.625 0.022 2.219 1.00 0.00 N ATOM 1202 CA PHE A 77 8.497 0.442 3.043 1.00 0.00 C ATOM 1203 C PHE A 77 7.837 -0.778 3.680 1.00 0.00 C ATOM 1204 O PHE A 77 7.674 -1.812 3.029 1.00 0.00 O ATOM 1205 CB PHE A 77 7.448 1.183 2.202 1.00 0.00 C ATOM 1206 CG PHE A 77 7.965 2.379 1.447 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.725 2.219 0.295 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.680 3.662 1.880 1.00 0.00 C ATOM 1209 CE1 PHE A 77 9.192 3.316 -0.402 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.142 4.764 1.185 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.900 4.589 0.044 1.00 0.00 C ATOM 0 H PHE A 77 9.371 -0.625 1.472 1.00 0.00 H new ATOM 0 HA PHE A 77 8.877 1.112 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.015 0.482 1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.641 1.508 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.953 1.225 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.089 3.804 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.785 3.178 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.911 5.760 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.264 5.448 -0.499 1.00 0.00 H new ATOM 1221 N ARG A 78 7.459 -0.654 4.942 1.00 0.00 N ATOM 1222 CA ARG A 78 6.764 -1.719 5.652 1.00 0.00 C ATOM 1223 C ARG A 78 5.301 -1.770 5.216 1.00 0.00 C ATOM 1224 O ARG A 78 4.576 -0.794 5.370 1.00 0.00 O ATOM 1225 CB ARG A 78 6.859 -1.466 7.156 1.00 0.00 C ATOM 1226 CG ARG A 78 6.351 -2.596 8.027 1.00 0.00 C ATOM 1227 CD ARG A 78 6.497 -2.235 9.495 1.00 0.00 C ATOM 1228 NE ARG A 78 6.186 -3.349 10.380 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.270 -3.283 11.711 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.542 -2.125 12.305 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.072 -4.365 12.450 1.00 0.00 N ATOM 0 H ARG A 78 7.624 0.183 5.502 1.00 0.00 H new ATOM 0 HA ARG A 78 7.228 -2.677 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.900 -1.270 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.297 -0.563 7.394 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.305 -2.799 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.908 -3.508 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.517 -1.900 9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.839 -1.397 9.726 1.00 0.00 H new ATOM 0 HE ARG A 78 5.887 -4.229 9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.687 -1.286 11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.606 -2.076 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.854 -5.255 12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.138 -4.308 13.466 1.00 0.00 H new ATOM 1245 N LEU A 79 4.873 -2.901 4.674 1.00 0.00 N ATOM 1246 CA LEU A 79 3.513 -3.025 4.150 1.00 0.00 C ATOM 1247 C LEU A 79 2.478 -3.120 5.267 1.00 0.00 C ATOM 1248 O LEU A 79 1.461 -2.426 5.241 1.00 0.00 O ATOM 1249 CB LEU A 79 3.406 -4.249 3.242 1.00 0.00 C ATOM 1250 CG LEU A 79 4.187 -4.156 1.934 1.00 0.00 C ATOM 1251 CD1 LEU A 79 4.069 -5.453 1.152 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.685 -2.988 1.103 1.00 0.00 C ATOM 0 H LEU A 79 5.441 -3.743 4.584 1.00 0.00 H new ATOM 0 HA LEU A 79 3.303 -2.123 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.754 -5.122 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.355 -4.418 3.008 1.00 0.00 H new ATOM 0 HG LEU A 79 5.238 -3.989 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.632 -5.370 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.470 -6.274 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.021 -5.647 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.251 -2.933 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.628 -3.130 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.815 -2.061 1.662 1.00 0.00 H new ATOM 1264 N SER A 80 2.745 -3.982 6.241 1.00 0.00 N ATOM 1265 CA SER A 80 1.803 -4.247 7.323 1.00 0.00 C ATOM 1266 C SER A 80 1.436 -2.966 8.080 1.00 0.00 C ATOM 1267 O SER A 80 0.264 -2.702 8.353 1.00 0.00 O ATOM 1268 CB SER A 80 2.422 -5.253 8.292 1.00 0.00 C ATOM 1269 OG SER A 80 3.374 -6.079 7.633 1.00 0.00 O ATOM 0 H SER A 80 3.613 -4.513 6.304 1.00 0.00 H new ATOM 0 HA SER A 80 0.889 -4.651 6.888 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.903 -4.723 9.114 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.638 -5.872 8.728 1.00 0.00 H new ATOM 0 HG SER A 80 4.217 -6.069 8.132 1.00 0.00 H new ATOM 1275 N ASP A 81 2.448 -2.167 8.393 1.00 0.00 N ATOM 1276 CA ASP A 81 2.278 -0.999 9.255 1.00 0.00 C ATOM 1277 C ASP A 81 2.344 0.304 8.469 1.00 0.00 C ATOM 1278 O ASP A 81 1.486 1.168 8.623 1.00 0.00 O ATOM 1279 CB ASP A 81 3.351 -1.020 10.348 1.00 0.00 C ATOM 1280 CG ASP A 81 3.460 0.285 11.107 1.00 0.00 C ATOM 1281 OD1 ASP A 81 2.720 0.470 12.096 1.00 0.00 O ATOM 1282 OD2 ASP A 81 4.307 1.116 10.730 1.00 0.00 O ATOM 0 H ASP A 81 3.402 -2.306 8.061 1.00 0.00 H new ATOM 0 HA ASP A 81 1.287 -1.048 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.128 -1.823 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.316 -1.251 9.896 1.00 0.00 H new ATOM 1287 N GLY A 82 3.351 0.443 7.623 1.00 0.00 N ATOM 1288 CA GLY A 82 3.510 1.674 6.865 1.00 0.00 C ATOM 1289 C GLY A 82 4.816 2.367 7.178 1.00 0.00 C ATOM 1290 O GLY A 82 5.140 3.406 6.602 1.00 0.00 O ATOM 0 H GLY A 82 4.060 -0.268 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.464 1.452 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.681 2.346 7.087 1.00 0.00 H new ATOM 1294 N LEU A 83 5.551 1.798 8.117 1.00 0.00 N ATOM 1295 CA LEU A 83 6.874 2.285 8.467 1.00 0.00 C ATOM 1296 C LEU A 83 7.815 2.276 7.263 1.00 0.00 C ATOM 1297 O LEU A 83 8.313 1.224 6.859 1.00 0.00 O ATOM 1298 CB LEU A 83 7.474 1.415 9.576 1.00 0.00 C ATOM 1299 CG LEU A 83 8.921 1.741 9.954 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.993 3.027 10.756 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.546 0.589 10.722 1.00 0.00 C ATOM 0 H LEU A 83 5.249 0.987 8.657 1.00 0.00 H new ATOM 0 HA LEU A 83 6.765 3.313 8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.853 1.511 10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.424 0.372 9.264 1.00 0.00 H new ATOM 0 HG LEU A 83 9.489 1.886 9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.031 3.238 11.013 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.592 3.849 10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.408 2.920 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.574 0.840 10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.976 0.407 11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.537 -0.308 10.103 1.00 0.00 H new ATOM 1313 N CYS A 84 8.034 3.435 6.671 1.00 0.00 N ATOM 1314 CA CYS A 84 9.110 3.583 5.711 1.00 0.00 C ATOM 1315 C CYS A 84 10.411 3.618 6.487 1.00 0.00 C ATOM 1316 O CYS A 84 10.552 4.412 7.415 1.00 0.00 O ATOM 1317 CB CYS A 84 8.942 4.858 4.882 1.00 0.00 C ATOM 1318 SG CYS A 84 10.354 5.234 3.816 1.00 0.00 S ATOM 0 H CYS A 84 7.487 4.280 6.836 1.00 0.00 H new ATOM 0 HA CYS A 84 9.103 2.748 5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.049 4.762 4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 84 8.775 5.698 5.556 1.00 0.00 H new ATOM 0 HG CYS A 84 9.985 5.176 2.571 1.00 0.00 H new ATOM 1324 N MET A 85 11.351 2.754 6.135 1.00 0.00 N ATOM 1325 CA MET A 85 12.544 2.574 6.956 1.00 0.00 C ATOM 1326 C MET A 85 13.378 3.857 7.045 1.00 0.00 C ATOM 1327 O MET A 85 14.079 4.080 8.031 1.00 0.00 O ATOM 1328 CB MET A 85 13.380 1.413 6.422 1.00 0.00 C ATOM 1329 CG MET A 85 14.264 0.773 7.479 1.00 0.00 C ATOM 1330 SD MET A 85 15.003 -0.770 6.919 1.00 0.00 S ATOM 1331 CE MET A 85 15.770 -1.332 8.437 1.00 0.00 C ATOM 0 H MET A 85 11.315 2.172 5.298 1.00 0.00 H new ATOM 0 HA MET A 85 12.219 2.337 7.969 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.715 0.656 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.005 1.771 5.604 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.054 1.470 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.674 0.585 8.376 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.274 -2.282 8.260 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.497 -0.593 8.773 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.006 -1.463 9.204 1.00 0.00 H new ATOM 1341 N GLU A 86 13.282 4.707 6.029 1.00 0.00 N ATOM 1342 CA GLU A 86 14.009 5.977 6.022 1.00 0.00 C ATOM 1343 C GLU A 86 13.162 7.116 6.598 1.00 0.00 C ATOM 1344 O GLU A 86 13.669 8.203 6.870 1.00 0.00 O ATOM 1345 CB GLU A 86 14.454 6.322 4.601 1.00 0.00 C ATOM 1346 CG GLU A 86 15.565 5.428 4.075 1.00 0.00 C ATOM 1347 CD GLU A 86 16.883 5.648 4.794 1.00 0.00 C ATOM 1348 OE1 GLU A 86 17.482 6.728 4.619 1.00 0.00 O ATOM 1349 OE2 GLU A 86 17.324 4.742 5.530 1.00 0.00 O ATOM 0 H GLU A 86 12.710 4.543 5.200 1.00 0.00 H new ATOM 0 HA GLU A 86 14.887 5.860 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.595 6.251 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.791 7.358 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.267 4.385 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.702 5.614 3.010 1.00 0.00 H new ATOM 1356 N ASP A 87 11.875 6.846 6.787 1.00 0.00 N ATOM 1357 CA ASP A 87 10.925 7.823 7.330 1.00 0.00 C ATOM 1358 C ASP A 87 10.568 7.442 8.762 1.00 0.00 C ATOM 1359 O ASP A 87 9.630 7.969 9.340 1.00 0.00 O ATOM 1360 CB ASP A 87 9.651 7.882 6.475 1.00 0.00 C ATOM 1361 CG ASP A 87 8.891 9.198 6.597 1.00 0.00 C ATOM 1362 OD1 ASP A 87 8.772 9.735 7.717 1.00 0.00 O ATOM 1363 OD2 ASP A 87 8.391 9.690 5.566 1.00 0.00 O ATOM 0 H ASP A 87 11.455 5.942 6.569 1.00 0.00 H new ATOM 0 HA ASP A 87 11.392 8.808 7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.918 7.722 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.992 7.064 6.764 1.00 0.00 H new ATOM 1368 N GLU A 88 11.322 6.481 9.301 1.00 0.00 N ATOM 1369 CA GLU A 88 11.056 5.855 10.610 1.00 0.00 C ATOM 1370 C GLU A 88 10.453 6.806 11.657 1.00 0.00 C ATOM 1371 O GLU A 88 9.616 6.390 12.459 1.00 0.00 O ATOM 1372 CB GLU A 88 12.354 5.276 11.168 1.00 0.00 C ATOM 1373 CG GLU A 88 12.186 4.586 12.515 1.00 0.00 C ATOM 1374 CD GLU A 88 13.493 4.467 13.275 1.00 0.00 C ATOM 1375 OE1 GLU A 88 14.248 3.508 13.024 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.762 5.341 14.127 1.00 0.00 O ATOM 0 H GLU A 88 12.149 6.106 8.837 1.00 0.00 H new ATOM 0 HA GLU A 88 10.311 5.081 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.761 4.562 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.086 6.078 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.469 5.143 13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.768 3.591 12.360 1.00 0.00 H new ATOM 1383 N GLN A 89 10.881 8.064 11.657 1.00 0.00 N ATOM 1384 CA GLN A 89 10.406 9.029 12.638 1.00 0.00 C ATOM 1385 C GLN A 89 8.891 9.240 12.533 1.00 0.00 C ATOM 1386 O GLN A 89 8.185 9.204 13.541 1.00 0.00 O ATOM 1387 CB GLN A 89 11.138 10.360 12.464 1.00 0.00 C ATOM 1388 CG GLN A 89 10.864 11.345 13.585 1.00 0.00 C ATOM 1389 CD GLN A 89 11.641 12.637 13.440 1.00 0.00 C ATOM 1390 OE1 GLN A 89 11.927 13.087 12.330 1.00 0.00 O ATOM 1391 NE2 GLN A 89 11.996 13.240 14.563 1.00 0.00 N ATOM 0 H GLN A 89 11.555 8.437 10.989 1.00 0.00 H new ATOM 0 HA GLN A 89 10.618 8.629 13.630 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.210 10.173 12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.843 10.808 11.515 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.798 11.570 13.611 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.116 10.881 14.539 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.739 12.834 15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.526 14.111 14.529 1.00 0.00 H new ATOM 1400 N PHE A 90 8.388 9.433 11.319 1.00 0.00 N ATOM 1401 CA PHE A 90 6.976 9.763 11.130 1.00 0.00 C ATOM 1402 C PHE A 90 6.235 8.653 10.382 1.00 0.00 C ATOM 1403 O PHE A 90 5.084 8.347 10.704 1.00 0.00 O ATOM 1404 CB PHE A 90 6.842 11.094 10.379 1.00 0.00 C ATOM 1405 CG PHE A 90 5.430 11.605 10.288 1.00 0.00 C ATOM 1406 CD1 PHE A 90 4.806 12.149 11.396 1.00 0.00 C ATOM 1407 CD2 PHE A 90 4.728 11.534 9.095 1.00 0.00 C ATOM 1408 CE1 PHE A 90 3.508 12.614 11.318 1.00 0.00 C ATOM 1409 CE2 PHE A 90 3.431 11.996 9.010 1.00 0.00 C ATOM 1410 CZ PHE A 90 2.819 12.536 10.124 1.00 0.00 C ATOM 0 H PHE A 90 8.929 9.368 10.457 1.00 0.00 H new ATOM 0 HA PHE A 90 6.519 9.860 12.115 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.458 11.844 10.876 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.239 10.973 9.371 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.340 12.211 12.333 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.202 11.112 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.032 13.038 12.190 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.895 11.936 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.803 12.897 10.061 1.00 0.00 H new ATOM 1420 N SER A 91 6.908 8.058 9.394 1.00 0.00 N ATOM 1421 CA SER A 91 6.334 7.000 8.558 1.00 0.00 C ATOM 1422 C SER A 91 5.281 7.566 7.603 1.00 0.00 C ATOM 1423 O SER A 91 5.073 8.780 7.543 1.00 0.00 O ATOM 1424 CB SER A 91 5.733 5.880 9.419 1.00 0.00 C ATOM 1425 OG SER A 91 6.704 5.330 10.295 1.00 0.00 O ATOM 0 H SER A 91 7.869 8.297 9.150 1.00 0.00 H new ATOM 0 HA SER A 91 7.142 6.575 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.897 6.272 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.335 5.096 8.775 1.00 0.00 H new ATOM 0 HG SER A 91 6.295 4.620 10.833 1.00 0.00 H new ATOM 1431 N VAL A 92 4.632 6.695 6.841 1.00 0.00 N ATOM 1432 CA VAL A 92 3.618 7.139 5.895 1.00 0.00 C ATOM 1433 C VAL A 92 2.223 6.951 6.477 1.00 0.00 C ATOM 1434 O VAL A 92 2.063 6.393 7.565 1.00 0.00 O ATOM 1435 CB VAL A 92 3.716 6.397 4.539 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.120 6.512 3.965 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.304 4.938 4.674 1.00 0.00 C ATOM 0 H VAL A 92 4.788 5.687 6.859 1.00 0.00 H new ATOM 0 HA VAL A 92 3.800 8.198 5.713 1.00 0.00 H new ATOM 0 HB VAL A 92 3.021 6.873 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.168 5.984 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.365 7.563 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.835 6.071 4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.384 4.446 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.959 4.440 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.274 4.882 5.025 1.00 0.00 H new ATOM 1447 N LYS A 93 1.220 7.415 5.752 1.00 0.00 N ATOM 1448 CA LYS A 93 -0.159 7.300 6.196 1.00 0.00 C ATOM 1449 C LYS A 93 -0.721 5.939 5.792 1.00 0.00 C ATOM 1450 O LYS A 93 -0.920 5.667 4.606 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.998 8.439 5.596 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.406 8.541 6.159 1.00 0.00 C ATOM 1453 CD LYS A 93 -3.141 9.749 5.597 1.00 0.00 C ATOM 1454 CE LYS A 93 -4.509 9.909 6.233 1.00 0.00 C ATOM 1455 NZ LYS A 93 -5.254 11.072 5.679 1.00 0.00 N ATOM 0 H LYS A 93 1.335 7.877 4.850 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.198 7.380 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.482 9.384 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.060 8.300 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.961 7.633 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.361 8.613 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.550 10.649 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.250 9.641 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.089 9.000 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.395 10.032 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.182 11.142 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.714 11.944 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.387 10.943 4.656 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.936 5.078 6.778 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.477 3.748 6.530 1.00 0.00 C ATOM 1471 C HIS A 94 -2.999 3.800 6.522 1.00 0.00 C ATOM 1472 O HIS A 94 -3.620 4.215 7.499 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.969 2.750 7.585 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.438 1.337 7.379 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.577 0.829 7.963 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -0.898 0.317 6.669 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.716 -0.438 7.627 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.710 -0.779 6.840 1.00 0.00 N ATOM 0 H HIS A 94 -0.743 5.278 7.760 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.135 3.406 5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.121 2.762 7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.290 3.087 8.571 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.005 0.358 6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.518 -1.089 7.942 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.561 -1.700 6.429 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.587 3.387 5.413 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.031 3.418 5.253 1.00 0.00 C ATOM 1489 C TYR A 95 -5.638 2.062 5.583 1.00 0.00 C ATOM 1490 O TYR A 95 -4.934 1.052 5.648 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.407 3.816 3.825 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.978 5.212 3.439 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -3.704 5.461 2.939 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -5.852 6.281 3.568 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -3.318 6.737 2.580 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.474 7.559 3.211 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.207 7.782 2.717 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.829 9.054 2.362 1.00 0.00 O ATOM 0 H TYR A 95 -3.083 3.024 4.604 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.429 4.161 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.958 3.105 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.488 3.735 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.006 4.644 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.846 6.110 3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.325 6.916 2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.167 8.380 3.318 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.573 9.672 2.520 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.943 2.051 5.783 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.666 0.837 6.114 1.00 0.00 C ATOM 1510 C GLU A 96 -8.369 0.281 4.883 1.00 0.00 C ATOM 1511 O GLU A 96 -9.288 0.903 4.352 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.673 1.130 7.224 1.00 0.00 C ATOM 1513 CG GLU A 96 -8.020 1.329 8.583 1.00 0.00 C ATOM 1514 CD GLU A 96 -8.997 1.792 9.639 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -9.818 0.971 10.098 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -8.944 2.979 10.017 1.00 0.00 O ATOM 0 H GLU A 96 -7.531 2.882 5.721 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.960 0.085 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.240 2.024 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.386 0.308 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.563 0.392 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.217 2.060 8.492 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.924 -0.878 4.424 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.505 -1.502 3.248 1.00 0.00 C ATOM 1525 C ALA A 97 -9.058 -2.875 3.591 1.00 0.00 C ATOM 1526 O ALA A 97 -8.480 -3.602 4.398 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.470 -1.604 2.137 1.00 0.00 C ATOM 0 H ALA A 97 -7.161 -1.405 4.849 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.328 -0.880 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.920 -2.074 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.120 -0.606 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.628 -2.205 2.479 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.182 -3.221 2.985 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.800 -4.517 3.209 1.00 0.00 C ATOM 1535 C ARG A 98 -11.496 -4.993 1.941 1.00 0.00 C ATOM 1536 O ARG A 98 -11.939 -4.183 1.125 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.813 -4.441 4.358 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.006 -3.541 4.068 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.983 -3.512 5.232 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.156 -2.682 4.950 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.055 -2.331 5.872 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -15.904 -2.723 7.133 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.103 -1.589 5.532 1.00 0.00 N ATOM 0 H ARG A 98 -10.686 -2.620 2.333 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.018 -5.227 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.173 -5.446 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.306 -4.080 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.657 -2.529 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.518 -3.892 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.305 -4.528 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.477 -3.133 6.120 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.294 -2.353 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.100 -3.293 7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.592 -2.454 7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.222 -1.287 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.789 -1.322 6.238 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.585 -6.302 1.776 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.257 -6.876 0.621 1.00 0.00 C ATOM 1559 C VAL A 99 -13.701 -7.230 0.974 1.00 0.00 C ATOM 1560 O VAL A 99 -13.984 -8.312 1.480 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.513 -8.128 0.095 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.193 -8.689 -1.144 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.059 -7.795 -0.201 1.00 0.00 C ATOM 0 H VAL A 99 -11.201 -6.987 2.426 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.254 -6.129 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.546 -8.892 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.649 -9.567 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.218 -8.969 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.200 -7.933 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.550 -8.685 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.012 -7.011 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.572 -7.450 0.711 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.604 -6.294 0.725 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.009 -6.470 1.058 1.00 0.00 C ATOM 1575 C LYS A 100 -16.767 -6.993 -0.148 1.00 0.00 C ATOM 1576 O LYS A 100 -16.884 -6.291 -1.150 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.617 -5.137 1.490 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.009 -5.262 2.087 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.746 -3.936 2.038 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.199 -3.604 0.624 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.365 -4.424 0.201 1.00 0.00 N ATOM 0 H LYS A 100 -14.386 -5.398 0.290 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.084 -7.187 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.959 -4.668 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.660 -4.472 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.575 -6.017 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.936 -5.603 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.612 -3.975 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.097 -3.143 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.460 -2.547 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.373 -3.766 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.796 -4.003 -0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.049 -5.391 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.066 -4.452 0.969 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.267 -8.224 -0.056 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.015 -8.848 -1.154 1.00 0.00 C ATOM 1597 C ASP A 101 -17.134 -9.012 -2.387 1.00 0.00 C ATOM 1598 O ASP A 101 -17.630 -9.210 -3.493 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.252 -8.017 -1.526 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.276 -7.944 -0.416 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.161 -7.056 0.453 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -21.214 -8.764 -0.412 1.00 0.00 O ATOM 0 H ASP A 101 -17.169 -8.814 0.770 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.338 -9.830 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.938 -7.007 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.717 -8.447 -2.413 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.827 -8.945 -2.190 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.909 -9.002 -3.307 1.00 0.00 C ATOM 1609 C GLY A 102 -14.527 -7.620 -3.805 1.00 0.00 C ATOM 1610 O GLY A 102 -13.828 -7.490 -4.805 1.00 0.00 O ATOM 0 H GLY A 102 -15.385 -8.852 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.009 -9.541 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.364 -9.567 -4.121 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.985 -6.589 -3.106 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.683 -5.213 -3.477 1.00 0.00 C ATOM 1616 C VAL A 103 -13.759 -4.571 -2.445 1.00 0.00 C ATOM 1617 O VAL A 103 -14.047 -4.583 -1.250 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.971 -4.368 -3.595 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.648 -2.930 -3.972 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.929 -4.984 -4.603 1.00 0.00 C ATOM 0 H VAL A 103 -15.570 -6.681 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.188 -5.239 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.458 -4.360 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.572 -2.357 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.010 -2.488 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.130 -2.913 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.829 -4.373 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.448 -5.031 -5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.197 -5.991 -4.282 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.651 -4.020 -2.910 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.691 -3.380 -2.024 1.00 0.00 C ATOM 1632 C VAL A 104 -12.183 -2.002 -1.614 1.00 0.00 C ATOM 1633 O VAL A 104 -12.281 -1.096 -2.441 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.306 -3.232 -2.684 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.277 -2.758 -1.670 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.868 -4.543 -3.316 1.00 0.00 C ATOM 0 H VAL A 104 -12.393 -4.002 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.594 -4.022 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.383 -2.482 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.306 -2.660 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.581 -1.792 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.205 -3.482 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.888 -4.416 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.811 -5.316 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.590 -4.839 -4.077 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.506 -1.851 -0.344 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.923 -0.565 0.176 1.00 0.00 C ATOM 1648 C GLN A 105 -11.785 0.079 0.944 1.00 0.00 C ATOM 1649 O GLN A 105 -11.066 -0.597 1.681 1.00 0.00 O ATOM 1650 CB GLN A 105 -14.148 -0.708 1.070 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.386 -1.163 0.321 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.646 -1.003 1.136 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.629 -1.108 2.368 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.748 -0.740 0.456 1.00 0.00 N ATOM 0 H GLN A 105 -12.487 -2.603 0.345 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.191 0.073 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.929 -1.422 1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.353 0.249 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.479 -0.591 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.271 -2.209 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.714 -0.662 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.633 -0.615 0.948 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.622 1.377 0.758 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.526 2.103 1.375 1.00 0.00 C ATOM 1665 C LEU A 106 -11.063 3.180 2.313 1.00 0.00 C ATOM 1666 O LEU A 106 -11.891 4.000 1.917 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.645 2.722 0.276 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.247 3.195 0.698 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -8.310 4.496 1.481 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.546 2.119 1.511 1.00 0.00 C ATOM 0 H LEU A 106 -12.237 1.952 0.182 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.922 1.416 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.530 1.988 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.178 3.573 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.672 3.382 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.302 4.800 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.763 5.271 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.910 4.351 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.556 2.470 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.131 1.899 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.448 1.215 0.910 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.598 3.155 3.556 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.931 4.183 4.528 1.00 0.00 C ATOM 1684 C ARG A 107 -9.666 4.907 4.972 1.00 0.00 C ATOM 1685 O ARG A 107 -8.637 4.276 5.223 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.622 3.580 5.754 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.121 4.629 6.732 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.709 4.013 7.990 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.716 3.883 9.052 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.926 4.259 10.314 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -13.130 4.669 10.701 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.941 4.185 11.194 1.00 0.00 N ATOM 0 H ARG A 107 -9.983 2.425 3.915 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.614 4.886 4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.463 2.969 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.926 2.916 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.297 5.289 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.876 5.246 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.537 4.628 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.119 3.031 7.755 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.809 3.481 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.899 4.697 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.285 4.955 11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.025 3.841 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.098 4.472 12.160 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.743 6.223 5.063 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.612 6.997 5.525 1.00 0.00 C ATOM 1708 C GLY A 108 -9.032 8.258 6.249 1.00 0.00 C ATOM 1709 O GLY A 108 -9.419 8.217 7.417 1.00 0.00 O ATOM 0 H GLY A 108 -10.570 6.771 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.004 6.385 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.985 7.262 4.674 1.00 0.00 H new ATOM 1713 N GLY A 109 -8.963 9.377 5.551 1.00 0.00 N ATOM 1714 CA GLY A 109 -9.338 10.646 6.137 1.00 0.00 C ATOM 1715 C GLY A 109 -9.344 11.740 5.104 1.00 0.00 C ATOM 1716 O GLY A 109 -8.741 12.796 5.297 1.00 0.00 O ATOM 0 H GLY A 109 -8.652 9.431 4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.326 10.563 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.642 10.901 6.936 1.00 0.00 H new ATOM 1720 N SER A 110 -10.022 11.475 4.003 1.00 0.00 N ATOM 1721 CA SER A 110 -10.037 12.382 2.875 1.00 0.00 C ATOM 1722 C SER A 110 -11.462 12.526 2.350 1.00 0.00 C ATOM 1723 O SER A 110 -12.019 13.644 2.417 1.00 0.00 O ATOM 1724 CB SER A 110 -9.115 11.845 1.781 1.00 0.00 C ATOM 1725 OG SER A 110 -7.879 11.408 2.332 1.00 0.00 O ATOM 1726 OXT SER A 110 -12.035 11.505 1.919 1.00 0.00 O ATOM 0 H SER A 110 -10.575 10.629 3.867 1.00 0.00 H new ATOM 0 HA SER A 110 -9.681 13.364 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.601 11.018 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.933 12.622 1.039 1.00 0.00 H new ATOM 0 HG SER A 110 -7.297 12.182 2.484 1.00 0.00 H new TER 1732 SER A 110