USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 42 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 ASN : amide:sc= -2.36 K(o=-2.4,f=-7.5!) USER MOD Set 2.1: A 27 THR OG1 : rot -70:sc= 0.0125 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.0124 USER MOD Set 3.1: A 13 GLN : amide:sc= -1.59 K(o=-1.6,f=-14!) USER MOD Set 3.2: A 115 THR OG1 : rot -80:sc= 0.0128 USER MOD Single : A 10 GLN : amide:sc= 0.956 K(o=0.96,f=-0.024) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc=-0.000635 (180deg=-0.0702) USER MOD Single : A 17 SER OG : rot 15:sc= 0.298! USER MOD Single : A 19 SER OG : rot 9:sc= 0.455! USER MOD Single : A 25 SER OG : rot 27:sc= 0.27 USER MOD Single : A 32 MET CE :methyl -158:sc= -1.69 (180deg=-2.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 0.351 (180deg=0.159) USER MOD Single : A 61 HIS : no HD1:sc=-0.00737 X(o=-0.0074,f=-0.46) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 32:sc= 0.51 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -2.06 K(o=-2.1,f=-1.2) USER MOD Single : A 80 SER OG : rot 84:sc= -0.0053 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00877 USER MOD Single : A 85 ASN : amide:sc= -0.0879 X(o=-0.088,f=-0.14) USER MOD Single : A 87 THR OG1 : rot -74:sc= 0.126 USER MOD Single : A 93 THR OG1 : rot -39:sc= -0.0862! USER MOD Single : A 94 TYR OH : rot -46:sc= 1.08 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= 1.13 (180deg=-0.701) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 153:sc= 0.00414 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.402 26.081 -5.310 1.00 0.00 N ATOM 67 CA GLU A 8 -7.165 25.815 -3.896 1.00 0.00 C ATOM 68 C GLU A 8 -6.550 24.432 -3.698 1.00 0.00 C ATOM 69 O GLU A 8 -6.523 23.615 -4.620 1.00 0.00 O ATOM 70 CB GLU A 8 -8.472 25.921 -3.108 1.00 0.00 C ATOM 71 CG GLU A 8 -9.462 24.811 -3.418 1.00 0.00 C ATOM 72 CD GLU A 8 -10.900 25.227 -3.177 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.285 25.373 -1.998 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.640 25.406 -4.166 1.00 0.00 O ATOM 0 HA GLU A 8 -6.464 26.562 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.246 25.907 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.938 26.883 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.346 24.506 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.231 23.941 -2.803 1.00 0.00 H new ATOM 81 N LEU A 9 -6.057 24.177 -2.491 1.00 0.00 N ATOM 82 CA LEU A 9 -5.442 22.894 -2.171 1.00 0.00 C ATOM 83 C LEU A 9 -6.236 21.742 -2.780 1.00 0.00 C ATOM 84 O LEU A 9 -7.428 21.876 -3.054 1.00 0.00 O ATOM 85 CB LEU A 9 -5.345 22.716 -0.655 1.00 0.00 C ATOM 86 CG LEU A 9 -4.903 21.336 -0.168 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.127 21.453 1.134 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.107 20.421 0.007 1.00 0.00 C ATOM 0 H LEU A 9 -6.071 24.842 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.439 22.884 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.647 23.457 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.320 22.938 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.246 20.900 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.821 20.461 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.244 22.072 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.760 21.910 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.773 19.443 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.789 20.853 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.622 20.311 -0.947 1.00 0.00 H new ATOM 100 N GLN A 10 -5.567 20.613 -2.986 1.00 0.00 N ATOM 101 CA GLN A 10 -6.211 19.438 -3.561 1.00 0.00 C ATOM 102 C GLN A 10 -5.277 18.233 -3.526 1.00 0.00 C ATOM 103 O GLN A 10 -4.095 18.341 -3.852 1.00 0.00 O ATOM 104 CB GLN A 10 -6.644 19.721 -5.001 1.00 0.00 C ATOM 105 CG GLN A 10 -7.003 18.469 -5.785 1.00 0.00 C ATOM 106 CD GLN A 10 -8.319 17.861 -5.345 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.358 18.522 -5.362 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.283 16.594 -4.947 1.00 0.00 N ATOM 0 H GLN A 10 -4.580 20.487 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.092 19.209 -2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.504 20.391 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.840 20.245 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.057 18.713 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.209 17.731 -5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.400 16.084 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.139 16.132 -4.639 1.00 0.00 H new ATOM 117 N VAL A 11 -5.815 17.084 -3.129 1.00 0.00 N ATOM 118 CA VAL A 11 -5.030 15.858 -3.052 1.00 0.00 C ATOM 119 C VAL A 11 -4.919 15.190 -4.418 1.00 0.00 C ATOM 120 O VAL A 11 -5.925 14.955 -5.089 1.00 0.00 O ATOM 121 CB VAL A 11 -5.644 14.860 -2.053 1.00 0.00 C ATOM 122 CG1 VAL A 11 -7.163 14.907 -2.116 1.00 0.00 C ATOM 123 CG2 VAL A 11 -5.134 13.453 -2.324 1.00 0.00 C ATOM 0 H VAL A 11 -6.792 16.977 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.035 16.140 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.337 15.145 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.579 14.195 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.507 15.911 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.494 14.648 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.578 12.761 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.409 13.155 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.049 13.433 -2.222 1.00 0.00 H new ATOM 133 N ILE A 12 -3.691 14.885 -4.824 1.00 0.00 N ATOM 134 CA ILE A 12 -3.449 14.242 -6.109 1.00 0.00 C ATOM 135 C ILE A 12 -3.186 12.750 -5.937 1.00 0.00 C ATOM 136 O ILE A 12 -2.177 12.352 -5.356 1.00 0.00 O ATOM 137 CB ILE A 12 -2.255 14.881 -6.842 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.505 16.374 -7.064 1.00 0.00 C ATOM 139 CG2 ILE A 12 -2.010 14.177 -8.168 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.585 16.662 -8.082 1.00 0.00 C ATOM 0 H ILE A 12 -2.848 15.073 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.350 14.383 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.365 14.769 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.781 16.833 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.577 16.845 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.163 14.640 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.793 13.124 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.898 14.262 -8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.707 17.740 -8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.302 16.233 -9.043 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.525 16.221 -7.750 1.00 0.00 H new ATOM 152 N GLN A 13 -4.100 11.931 -6.446 1.00 0.00 N ATOM 153 CA GLN A 13 -3.966 10.482 -6.349 1.00 0.00 C ATOM 154 C GLN A 13 -3.648 9.873 -7.711 1.00 0.00 C ATOM 155 O GLN A 13 -4.536 9.448 -8.450 1.00 0.00 O ATOM 156 CB GLN A 13 -5.249 9.866 -5.788 1.00 0.00 C ATOM 157 CG GLN A 13 -5.258 9.755 -4.272 1.00 0.00 C ATOM 158 CD GLN A 13 -6.079 8.581 -3.778 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.792 7.938 -4.550 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.984 8.293 -2.485 1.00 0.00 N ATOM 0 H GLN A 13 -4.941 12.246 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.141 10.263 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.100 10.469 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.384 8.873 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.234 9.654 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.656 10.676 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.381 8.852 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.514 7.513 -2.096 1.00 0.00 H new ATOM 169 N PRO A 14 -2.352 9.828 -8.051 1.00 0.00 N ATOM 170 CA PRO A 14 -1.887 9.272 -9.326 1.00 0.00 C ATOM 171 C PRO A 14 -2.059 7.758 -9.395 1.00 0.00 C ATOM 172 O PRO A 14 -2.497 7.220 -10.411 1.00 0.00 O ATOM 173 CB PRO A 14 -0.402 9.643 -9.354 1.00 0.00 C ATOM 174 CG PRO A 14 -0.020 9.787 -7.921 1.00 0.00 C ATOM 175 CD PRO A 14 -1.240 10.315 -7.219 1.00 0.00 C ATOM 0 HA PRO A 14 -2.454 9.661 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.190 8.871 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.236 10.570 -9.903 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.288 8.830 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.822 10.470 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.309 9.941 -6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.230 11.403 -7.160 1.00 0.00 H new ATOM 183 N GLU A 15 -1.711 7.077 -8.307 1.00 0.00 N ATOM 184 CA GLU A 15 -1.827 5.625 -8.246 1.00 0.00 C ATOM 185 C GLU A 15 -3.285 5.202 -8.092 1.00 0.00 C ATOM 186 O GLU A 15 -3.734 4.869 -6.995 1.00 0.00 O ATOM 187 CB GLU A 15 -0.998 5.073 -7.084 1.00 0.00 C ATOM 188 CG GLU A 15 0.433 4.733 -7.464 1.00 0.00 C ATOM 189 CD GLU A 15 0.520 3.553 -8.413 1.00 0.00 C ATOM 190 OE1 GLU A 15 -0.039 2.486 -8.085 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.147 3.698 -9.483 1.00 0.00 O ATOM 0 H GLU A 15 -1.347 7.507 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.445 5.216 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.986 5.806 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.484 4.178 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.898 5.603 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.002 4.511 -6.561 1.00 0.00 H new ATOM 198 N LYS A 16 -4.020 5.217 -9.199 1.00 0.00 N ATOM 199 CA LYS A 16 -5.427 4.834 -9.189 1.00 0.00 C ATOM 200 C LYS A 16 -5.640 3.565 -8.371 1.00 0.00 C ATOM 201 O LYS A 16 -6.721 3.339 -7.828 1.00 0.00 O ATOM 202 CB LYS A 16 -5.929 4.623 -10.619 1.00 0.00 C ATOM 203 CG LYS A 16 -5.449 3.326 -11.247 1.00 0.00 C ATOM 204 CD LYS A 16 -4.135 3.516 -11.985 1.00 0.00 C ATOM 205 CE LYS A 16 -4.356 4.078 -13.381 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.890 3.049 -14.315 1.00 0.00 N ATOM 0 H LYS A 16 -3.664 5.490 -10.115 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.994 5.642 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.019 4.635 -10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.602 5.459 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.326 2.569 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.205 2.954 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.492 4.189 -11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.614 2.561 -12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.050 4.917 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.415 4.467 -13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.852 3.411 -15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.316 2.185 -14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.876 2.831 -14.065 1.00 0.00 H new ATOM 220 N SER A 17 -4.602 2.739 -8.288 1.00 0.00 N ATOM 221 CA SER A 17 -4.676 1.490 -7.538 1.00 0.00 C ATOM 222 C SER A 17 -3.286 0.899 -7.327 1.00 0.00 C ATOM 223 O SER A 17 -2.518 0.735 -8.275 1.00 0.00 O ATOM 224 CB SER A 17 -5.565 0.483 -8.271 1.00 0.00 C ATOM 225 OG SER A 17 -4.883 -0.094 -9.370 1.00 0.00 O ATOM 0 H SER A 17 -3.700 2.912 -8.731 1.00 0.00 H new ATOM 0 HA SER A 17 -5.111 1.706 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.878 -0.301 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.470 0.979 -8.621 1.00 0.00 H new ATOM 0 HG SER A 17 -3.923 0.089 -9.292 1.00 0.00 H new ATOM 231 N VAL A 18 -2.969 0.580 -6.076 1.00 0.00 N ATOM 232 CA VAL A 18 -1.672 0.006 -5.739 1.00 0.00 C ATOM 233 C VAL A 18 -1.694 -1.513 -5.862 1.00 0.00 C ATOM 234 O VAL A 18 -2.702 -2.155 -5.566 1.00 0.00 O ATOM 235 CB VAL A 18 -1.243 0.388 -4.309 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.069 -0.290 -3.946 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.128 1.899 -4.174 1.00 0.00 C ATOM 0 H VAL A 18 -3.593 0.709 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.952 0.415 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.007 0.041 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.356 -0.008 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.053 -1.372 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.846 0.024 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.824 2.151 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.384 2.272 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.093 2.358 -4.389 1.00 0.00 H new ATOM 247 N SER A 19 -0.576 -2.082 -6.302 1.00 0.00 N ATOM 248 CA SER A 19 -0.468 -3.527 -6.467 1.00 0.00 C ATOM 249 C SER A 19 0.669 -4.088 -5.620 1.00 0.00 C ATOM 250 O SER A 19 1.807 -3.625 -5.703 1.00 0.00 O ATOM 251 CB SER A 19 -0.244 -3.877 -7.940 1.00 0.00 C ATOM 252 OG SER A 19 1.097 -3.624 -8.325 1.00 0.00 O ATOM 0 H SER A 19 0.267 -1.565 -6.550 1.00 0.00 H new ATOM 0 HA SER A 19 -1.402 -3.977 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.482 -4.927 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.921 -3.293 -8.563 1.00 0.00 H new ATOM 0 HG SER A 19 1.633 -3.420 -7.530 1.00 0.00 H new ATOM 258 N VAL A 20 0.354 -5.089 -4.804 1.00 0.00 N ATOM 259 CA VAL A 20 1.349 -5.715 -3.941 1.00 0.00 C ATOM 260 C VAL A 20 1.003 -7.175 -3.673 1.00 0.00 C ATOM 261 O VAL A 20 -0.014 -7.680 -4.148 1.00 0.00 O ATOM 262 CB VAL A 20 1.472 -4.972 -2.597 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.511 -3.866 -2.692 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.123 -4.414 -2.172 1.00 0.00 C ATOM 0 H VAL A 20 -0.583 -5.484 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 20 2.303 -5.662 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 20 1.801 -5.681 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.584 -3.352 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.479 -4.297 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.216 -3.155 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.228 -3.892 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.238 -3.718 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.590 -5.231 -2.061 1.00 0.00 H new ATOM 274 N ALA A 21 1.856 -7.849 -2.909 1.00 0.00 N ATOM 275 CA ALA A 21 1.639 -9.251 -2.575 1.00 0.00 C ATOM 276 C ALA A 21 1.680 -9.469 -1.066 1.00 0.00 C ATOM 277 O ALA A 21 2.416 -8.788 -0.351 1.00 0.00 O ATOM 278 CB ALA A 21 2.677 -10.124 -3.264 1.00 0.00 C ATOM 0 H ALA A 21 2.704 -7.447 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 21 0.648 -9.534 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.503 -11.169 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.598 -9.999 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.674 -9.831 -2.937 1.00 0.00 H new ATOM 284 N ALA A 22 0.885 -10.420 -0.588 1.00 0.00 N ATOM 285 CA ALA A 22 0.832 -10.728 0.835 1.00 0.00 C ATOM 286 C ALA A 22 2.233 -10.802 1.434 1.00 0.00 C ATOM 287 O ALA A 22 2.938 -11.797 1.267 1.00 0.00 O ATOM 288 CB ALA A 22 0.088 -12.035 1.066 1.00 0.00 C ATOM 0 H ALA A 22 0.268 -10.991 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 22 0.293 -9.923 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.057 -12.252 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.929 -11.947 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.603 -12.843 0.547 1.00 0.00 H new ATOM 294 N GLY A 23 2.631 -9.742 2.131 1.00 0.00 N ATOM 295 CA GLY A 23 3.947 -9.708 2.742 1.00 0.00 C ATOM 296 C GLY A 23 4.859 -8.682 2.099 1.00 0.00 C ATOM 297 O GLY A 23 6.045 -8.612 2.416 1.00 0.00 O ATOM 0 H GLY A 23 2.066 -8.907 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.845 -9.484 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.405 -10.694 2.666 1.00 0.00 H new ATOM 301 N GLU A 24 4.303 -7.886 1.190 1.00 0.00 N ATOM 302 CA GLU A 24 5.077 -6.861 0.499 1.00 0.00 C ATOM 303 C GLU A 24 4.793 -5.480 1.082 1.00 0.00 C ATOM 304 O GLU A 24 4.053 -5.346 2.057 1.00 0.00 O ATOM 305 CB GLU A 24 4.756 -6.871 -0.997 1.00 0.00 C ATOM 306 CG GLU A 24 5.087 -8.187 -1.682 1.00 0.00 C ATOM 307 CD GLU A 24 6.558 -8.543 -1.580 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.365 -7.948 -2.324 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.900 -9.417 -0.757 1.00 0.00 O ATOM 0 H GLU A 24 3.322 -7.931 0.916 1.00 0.00 H new ATOM 0 HA GLU A 24 6.135 -7.085 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.696 -6.656 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.309 -6.068 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.492 -8.984 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.803 -8.127 -2.733 1.00 0.00 H new ATOM 316 N SER A 25 5.386 -4.456 0.477 1.00 0.00 N ATOM 317 CA SER A 25 5.202 -3.084 0.938 1.00 0.00 C ATOM 318 C SER A 25 4.396 -2.275 -0.074 1.00 0.00 C ATOM 319 O SER A 25 4.788 -2.146 -1.233 1.00 0.00 O ATOM 320 CB SER A 25 6.558 -2.418 1.178 1.00 0.00 C ATOM 321 OG SER A 25 7.352 -2.440 0.005 1.00 0.00 O ATOM 0 H SER A 25 5.998 -4.550 -0.334 1.00 0.00 H new ATOM 0 HA SER A 25 4.649 -3.113 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.408 -1.388 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.081 -2.932 1.985 1.00 0.00 H new ATOM 0 HG SER A 25 6.770 -2.466 -0.783 1.00 0.00 H new ATOM 327 N ALA A 26 3.269 -1.733 0.375 1.00 0.00 N ATOM 328 CA ALA A 26 2.409 -0.934 -0.490 1.00 0.00 C ATOM 329 C ALA A 26 2.723 0.552 -0.356 1.00 0.00 C ATOM 330 O ALA A 26 2.917 1.059 0.750 1.00 0.00 O ATOM 331 CB ALA A 26 0.946 -1.197 -0.167 1.00 0.00 C ATOM 0 H ALA A 26 2.930 -1.832 1.332 1.00 0.00 H new ATOM 0 HA ALA A 26 2.601 -1.227 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.315 -0.594 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.723 -2.253 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.750 -0.933 0.872 1.00 0.00 H new ATOM 337 N THR A 27 2.773 1.246 -1.488 1.00 0.00 N ATOM 338 CA THR A 27 3.066 2.674 -1.498 1.00 0.00 C ATOM 339 C THR A 27 1.847 3.483 -1.924 1.00 0.00 C ATOM 340 O THR A 27 1.453 3.463 -3.091 1.00 0.00 O ATOM 341 CB THR A 27 4.240 3.001 -2.440 1.00 0.00 C ATOM 342 OG1 THR A 27 5.335 2.115 -2.183 1.00 0.00 O ATOM 343 CG2 THR A 27 4.694 4.441 -2.260 1.00 0.00 C ATOM 0 H THR A 27 2.614 0.842 -2.411 1.00 0.00 H new ATOM 0 HA THR A 27 3.341 2.946 -0.479 1.00 0.00 H new ATOM 0 HB THR A 27 3.900 2.870 -3.467 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.732 2.330 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.524 4.648 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.867 5.114 -2.484 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.018 4.595 -1.231 1.00 0.00 H new ATOM 351 N LEU A 28 1.252 4.194 -0.973 1.00 0.00 N ATOM 352 CA LEU A 28 0.076 5.012 -1.251 1.00 0.00 C ATOM 353 C LEU A 28 0.479 6.429 -1.643 1.00 0.00 C ATOM 354 O LEU A 28 0.699 7.283 -0.784 1.00 0.00 O ATOM 355 CB LEU A 28 -0.843 5.050 -0.029 1.00 0.00 C ATOM 356 CG LEU A 28 -1.182 3.698 0.599 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.906 3.890 1.922 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.023 2.863 -0.355 1.00 0.00 C ATOM 0 H LEU A 28 1.564 4.221 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.460 4.562 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.376 5.675 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.774 5.539 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.251 3.165 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.139 2.917 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.269 4.448 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.830 4.443 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.255 1.904 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.950 3.391 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.468 2.695 -1.278 1.00 0.00 H new ATOM 370 N ARG A 29 0.572 6.673 -2.947 1.00 0.00 N ATOM 371 CA ARG A 29 0.947 7.988 -3.453 1.00 0.00 C ATOM 372 C ARG A 29 -0.077 9.042 -3.041 1.00 0.00 C ATOM 373 O ARG A 29 -1.283 8.794 -3.065 1.00 0.00 O ATOM 374 CB ARG A 29 1.075 7.954 -4.977 1.00 0.00 C ATOM 375 CG ARG A 29 2.280 7.170 -5.470 1.00 0.00 C ATOM 376 CD ARG A 29 2.645 7.548 -6.897 1.00 0.00 C ATOM 377 NE ARG A 29 3.681 6.678 -7.446 1.00 0.00 N ATOM 378 CZ ARG A 29 3.958 6.592 -8.742 1.00 0.00 C ATOM 379 NH1 ARG A 29 3.279 7.321 -9.618 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.916 5.777 -9.165 1.00 0.00 N ATOM 0 H ARG A 29 0.393 5.978 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 29 1.911 8.255 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.170 7.517 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.140 8.976 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.130 7.357 -4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.067 6.102 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.756 7.494 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.990 8.582 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 29 4.222 6.105 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.542 7.949 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.493 7.253 -10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.441 5.215 -8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.128 5.712 -10.161 1.00 0.00 H new ATOM 394 N CYS A 30 0.412 10.218 -2.662 1.00 0.00 N ATOM 395 CA CYS A 30 -0.459 11.310 -2.244 1.00 0.00 C ATOM 396 C CYS A 30 0.320 12.617 -2.139 1.00 0.00 C ATOM 397 O CYS A 30 1.432 12.649 -1.613 1.00 0.00 O ATOM 398 CB CYS A 30 -1.111 10.983 -0.899 1.00 0.00 C ATOM 399 SG CYS A 30 -2.342 12.209 -0.352 1.00 0.00 S ATOM 0 H CYS A 30 1.407 10.439 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.237 11.431 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.592 10.007 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.333 10.902 -0.140 1.00 0.00 H new ATOM 404 N ALA A 31 -0.272 13.695 -2.644 1.00 0.00 N ATOM 405 CA ALA A 31 0.365 15.005 -2.606 1.00 0.00 C ATOM 406 C ALA A 31 -0.674 16.121 -2.636 1.00 0.00 C ATOM 407 O ALA A 31 -1.726 15.986 -3.261 1.00 0.00 O ATOM 408 CB ALA A 31 1.336 15.154 -3.768 1.00 0.00 C ATOM 0 H ALA A 31 -1.192 13.686 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 31 0.920 15.085 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.804 16.137 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.104 14.383 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.796 15.048 -4.709 1.00 0.00 H new ATOM 414 N MET A 32 -0.372 17.223 -1.957 1.00 0.00 N ATOM 415 CA MET A 32 -1.280 18.363 -1.907 1.00 0.00 C ATOM 416 C MET A 32 -0.810 19.474 -2.841 1.00 0.00 C ATOM 417 O MET A 32 0.375 19.807 -2.880 1.00 0.00 O ATOM 418 CB MET A 32 -1.388 18.894 -0.477 1.00 0.00 C ATOM 419 CG MET A 32 -1.876 17.857 0.522 1.00 0.00 C ATOM 420 SD MET A 32 -3.362 17.001 -0.036 1.00 0.00 S ATOM 421 CE MET A 32 -3.016 15.331 0.508 1.00 0.00 C ATOM 0 H MET A 32 0.494 17.351 -1.434 1.00 0.00 H new ATOM 0 HA MET A 32 -2.263 18.027 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.412 19.261 -0.160 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.068 19.746 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.086 17.127 0.698 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.078 18.344 1.476 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.611 14.628 -0.075 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.957 15.114 0.367 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.269 15.232 1.564 1.00 0.00 H new ATOM 431 N THR A 33 -1.746 20.044 -3.593 1.00 0.00 N ATOM 432 CA THR A 33 -1.428 21.117 -4.527 1.00 0.00 C ATOM 433 C THR A 33 -0.939 22.359 -3.792 1.00 0.00 C ATOM 434 O THR A 33 -0.510 23.331 -4.413 1.00 0.00 O ATOM 435 CB THR A 33 -2.648 21.491 -5.390 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.724 21.929 -4.553 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.101 20.306 -6.229 1.00 0.00 C ATOM 0 H THR A 33 -2.731 19.780 -3.573 1.00 0.00 H new ATOM 0 HA THR A 33 -0.634 20.746 -5.175 1.00 0.00 H new ATOM 0 HB THR A 33 -2.357 22.300 -6.060 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.495 22.167 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.964 20.594 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.289 19.994 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.375 19.480 -5.573 1.00 0.00 H new ATOM 445 N SER A 34 -1.006 22.321 -2.465 1.00 0.00 N ATOM 446 CA SER A 34 -0.573 23.446 -1.645 1.00 0.00 C ATOM 447 C SER A 34 -0.562 23.068 -0.167 1.00 0.00 C ATOM 448 O SER A 34 -1.115 22.041 0.228 1.00 0.00 O ATOM 449 CB SER A 34 -1.490 24.650 -1.868 1.00 0.00 C ATOM 450 OG SER A 34 -0.811 25.865 -1.602 1.00 0.00 O ATOM 0 H SER A 34 -1.356 21.523 -1.935 1.00 0.00 H new ATOM 0 HA SER A 34 0.442 23.711 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.852 24.650 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.364 24.570 -1.222 1.00 0.00 H new ATOM 0 HG SER A 34 -1.418 26.619 -1.754 1.00 0.00 H new ATOM 456 N LEU A 35 0.072 23.906 0.646 1.00 0.00 N ATOM 457 CA LEU A 35 0.157 23.661 2.082 1.00 0.00 C ATOM 458 C LEU A 35 -0.905 24.458 2.834 1.00 0.00 C ATOM 459 O LEU A 35 -1.005 24.376 4.058 1.00 0.00 O ATOM 460 CB LEU A 35 1.548 24.029 2.601 1.00 0.00 C ATOM 461 CG LEU A 35 2.726 23.349 1.902 1.00 0.00 C ATOM 462 CD1 LEU A 35 4.026 24.071 2.223 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.813 21.885 2.306 1.00 0.00 C ATOM 0 H LEU A 35 0.534 24.761 0.336 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.020 22.600 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.673 25.108 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.593 23.788 3.663 1.00 0.00 H new ATOM 0 HG LEU A 35 2.563 23.399 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.853 23.573 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.962 25.105 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.196 24.053 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.657 21.417 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.952 21.813 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.892 21.374 2.024 1.00 0.00 H new ATOM 475 N ILE A 36 -1.696 25.225 2.092 1.00 0.00 N ATOM 476 CA ILE A 36 -2.753 26.033 2.688 1.00 0.00 C ATOM 477 C ILE A 36 -4.123 25.624 2.158 1.00 0.00 C ATOM 478 O ILE A 36 -4.313 25.403 0.962 1.00 0.00 O ATOM 479 CB ILE A 36 -2.536 27.533 2.415 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.155 27.969 2.908 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.627 28.356 3.084 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.849 27.524 4.321 1.00 0.00 C ATOM 0 H ILE A 36 -1.625 25.304 1.078 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.716 25.858 3.763 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.587 27.703 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.395 27.568 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.086 29.055 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.460 29.414 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.599 28.060 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.604 28.184 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.146 27.868 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.587 27.947 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.886 26.436 4.376 1.00 0.00 H new ATOM 494 N PRO A 37 -5.103 25.523 3.068 1.00 0.00 N ATOM 495 CA PRO A 37 -4.889 25.783 4.495 1.00 0.00 C ATOM 496 C PRO A 37 -4.029 24.711 5.157 1.00 0.00 C ATOM 497 O PRO A 37 -4.108 23.534 4.806 1.00 0.00 O ATOM 498 CB PRO A 37 -6.305 25.766 5.075 1.00 0.00 C ATOM 499 CG PRO A 37 -7.089 24.914 4.137 1.00 0.00 C ATOM 500 CD PRO A 37 -6.496 25.145 2.775 1.00 0.00 C ATOM 0 HA PRO A 37 -4.356 26.719 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.314 25.355 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.720 26.772 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.024 23.863 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.145 25.184 4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.547 24.248 2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.021 25.934 2.237 1.00 0.00 H new ATOM 508 N VAL A 38 -3.209 25.126 6.117 1.00 0.00 N ATOM 509 CA VAL A 38 -2.336 24.202 6.829 1.00 0.00 C ATOM 510 C VAL A 38 -3.128 23.040 7.418 1.00 0.00 C ATOM 511 O VAL A 38 -4.311 23.176 7.728 1.00 0.00 O ATOM 512 CB VAL A 38 -1.570 24.912 7.961 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.529 25.374 9.047 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.501 23.995 8.538 1.00 0.00 C ATOM 0 H VAL A 38 -3.131 26.097 6.419 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.621 23.819 6.101 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.077 25.791 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.970 25.873 9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.254 26.068 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.052 24.512 9.461 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.030 24.513 9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.970 23.096 8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.203 23.719 7.753 1.00 0.00 H new ATOM 524 N GLY A 39 -2.468 21.896 7.569 1.00 0.00 N ATOM 525 CA GLY A 39 -3.126 20.726 8.121 1.00 0.00 C ATOM 526 C GLY A 39 -2.319 19.459 7.922 1.00 0.00 C ATOM 527 O GLY A 39 -1.627 19.289 6.918 1.00 0.00 O ATOM 0 H GLY A 39 -1.489 21.758 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.299 20.879 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.103 20.608 7.653 1.00 0.00 H new ATOM 531 N PRO A 40 -2.402 18.541 8.896 1.00 0.00 N ATOM 532 CA PRO A 40 -1.679 17.267 8.847 1.00 0.00 C ATOM 533 C PRO A 40 -2.232 16.327 7.781 1.00 0.00 C ATOM 534 O PRO A 40 -3.076 16.718 6.974 1.00 0.00 O ATOM 535 CB PRO A 40 -1.900 16.680 10.244 1.00 0.00 C ATOM 536 CG PRO A 40 -3.171 17.296 10.718 1.00 0.00 C ATOM 537 CD PRO A 40 -3.209 18.676 10.121 1.00 0.00 C ATOM 0 HA PRO A 40 -0.629 17.404 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.976 15.593 10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.071 16.920 10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.032 16.709 10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.201 17.341 11.807 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.229 18.989 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.789 19.419 10.799 1.00 0.00 H new ATOM 545 N ILE A 41 -1.752 15.088 7.784 1.00 0.00 N ATOM 546 CA ILE A 41 -2.200 14.093 6.818 1.00 0.00 C ATOM 547 C ILE A 41 -2.596 12.794 7.510 1.00 0.00 C ATOM 548 O ILE A 41 -1.844 12.258 8.324 1.00 0.00 O ATOM 549 CB ILE A 41 -1.110 13.793 5.772 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.710 15.075 5.039 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.598 12.743 4.786 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.826 15.672 4.211 1.00 0.00 C ATOM 0 H ILE A 41 -1.053 14.749 8.445 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.070 14.513 6.314 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.232 13.401 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.376 15.812 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.139 14.863 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.817 12.541 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.839 11.825 5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.489 13.109 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.470 16.578 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.145 14.952 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.668 15.917 4.858 1.00 0.00 H new ATOM 564 N MET A 42 -3.781 12.291 7.180 1.00 0.00 N ATOM 565 CA MET A 42 -4.276 11.051 7.768 1.00 0.00 C ATOM 566 C MET A 42 -4.880 10.146 6.699 1.00 0.00 C ATOM 567 O MET A 42 -5.661 10.595 5.861 1.00 0.00 O ATOM 568 CB MET A 42 -5.318 11.354 8.846 1.00 0.00 C ATOM 569 CG MET A 42 -4.718 11.865 10.145 1.00 0.00 C ATOM 570 SD MET A 42 -5.932 11.978 11.474 1.00 0.00 S ATOM 571 CE MET A 42 -5.472 13.539 12.221 1.00 0.00 C ATOM 0 H MET A 42 -4.416 12.723 6.509 1.00 0.00 H new ATOM 0 HA MET A 42 -3.433 10.532 8.224 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.020 12.095 8.463 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.890 10.449 9.051 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.909 11.202 10.452 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.278 12.848 9.976 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.775 13.544 13.268 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.392 13.670 12.155 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.969 14.354 11.696 1.00 0.00 H new ATOM 581 N TRP A 43 -4.513 8.870 6.736 1.00 0.00 N ATOM 582 CA TRP A 43 -5.020 7.902 5.769 1.00 0.00 C ATOM 583 C TRP A 43 -6.150 7.073 6.370 1.00 0.00 C ATOM 584 O TRP A 43 -6.138 6.759 7.561 1.00 0.00 O ATOM 585 CB TRP A 43 -3.892 6.982 5.298 1.00 0.00 C ATOM 586 CG TRP A 43 -2.943 7.646 4.346 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.816 8.346 4.666 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.042 7.672 2.918 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.207 8.806 3.524 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.939 8.405 2.438 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.953 7.146 1.998 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.726 8.625 1.079 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.740 7.365 0.650 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.634 8.099 0.201 1.00 0.00 C ATOM 0 H TRP A 43 -3.867 8.482 7.424 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.413 8.452 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.336 6.627 6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.325 6.105 4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.456 8.514 5.670 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.349 9.357 3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.808 6.579 2.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.874 9.191 0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.438 6.963 -0.070 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.496 8.253 -0.859 1.00 0.00 H new ATOM 605 N PHE A 44 -7.126 6.721 5.540 1.00 0.00 N ATOM 606 CA PHE A 44 -8.264 5.929 5.990 1.00 0.00 C ATOM 607 C PHE A 44 -8.779 5.030 4.869 1.00 0.00 C ATOM 608 O PHE A 44 -9.057 5.496 3.764 1.00 0.00 O ATOM 609 CB PHE A 44 -9.387 6.845 6.481 1.00 0.00 C ATOM 610 CG PHE A 44 -8.966 7.770 7.586 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.402 9.003 7.298 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.133 7.408 8.913 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.013 9.856 8.313 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.746 8.257 9.933 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.186 9.483 9.632 1.00 0.00 C ATOM 0 H PHE A 44 -7.152 6.972 4.552 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.932 5.298 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.755 7.437 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.219 6.232 6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.265 9.300 6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.571 6.451 9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.574 10.814 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.881 7.962 10.963 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.884 10.149 10.427 1.00 0.00 H new ATOM 625 N ARG A 45 -8.903 3.740 5.163 1.00 0.00 N ATOM 626 CA ARG A 45 -9.382 2.775 4.180 1.00 0.00 C ATOM 627 C ARG A 45 -10.852 2.441 4.419 1.00 0.00 C ATOM 628 O ARG A 45 -11.206 1.844 5.434 1.00 0.00 O ATOM 629 CB ARG A 45 -8.542 1.498 4.236 1.00 0.00 C ATOM 630 CG ARG A 45 -8.792 0.554 3.072 1.00 0.00 C ATOM 631 CD ARG A 45 -8.537 -0.893 3.464 1.00 0.00 C ATOM 632 NE ARG A 45 -9.118 -1.218 4.764 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.397 -1.527 4.942 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.226 -1.553 3.907 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.851 -1.811 6.156 1.00 0.00 N ATOM 0 H ARG A 45 -8.679 3.339 6.074 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.284 3.222 3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.486 1.768 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.753 0.975 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.821 0.663 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.146 0.825 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.955 -1.554 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.463 -1.078 3.490 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.507 -1.207 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.881 -1.335 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.208 -1.791 4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.217 -1.792 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.834 -2.048 6.290 1.00 0.00 H new ATOM 649 N GLY A 46 -11.703 2.832 3.475 1.00 0.00 N ATOM 650 CA GLY A 46 -13.124 2.565 3.602 1.00 0.00 C ATOM 651 C GLY A 46 -13.930 3.824 3.854 1.00 0.00 C ATOM 652 O GLY A 46 -14.869 3.819 4.650 1.00 0.00 O ATOM 0 H GLY A 46 -11.434 3.328 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.483 2.084 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.287 1.863 4.420 1.00 0.00 H new ATOM 656 N ALA A 47 -13.561 4.906 3.177 1.00 0.00 N ATOM 657 CA ALA A 47 -14.257 6.178 3.332 1.00 0.00 C ATOM 658 C ALA A 47 -15.768 5.977 3.368 1.00 0.00 C ATOM 659 O ALA A 47 -16.312 5.155 2.631 1.00 0.00 O ATOM 660 CB ALA A 47 -13.875 7.129 2.207 1.00 0.00 C ATOM 0 H ALA A 47 -12.784 4.928 2.516 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.953 6.617 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.402 8.075 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.800 7.307 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.149 6.688 1.249 1.00 0.00 H new ATOM 690 N ARG A 51 -14.490 3.617 7.222 1.00 0.00 N ATOM 691 CA ARG A 51 -13.120 4.085 7.053 1.00 0.00 C ATOM 692 C ARG A 51 -12.276 3.750 8.279 1.00 0.00 C ATOM 693 O ARG A 51 -12.598 4.155 9.395 1.00 0.00 O ATOM 694 CB ARG A 51 -13.102 5.595 6.805 1.00 0.00 C ATOM 695 CG ARG A 51 -13.164 6.422 8.078 1.00 0.00 C ATOM 696 CD ARG A 51 -13.550 7.864 7.787 1.00 0.00 C ATOM 697 NE ARG A 51 -14.265 8.475 8.905 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.968 9.597 8.801 1.00 0.00 C ATOM 699 NH1 ARG A 51 -15.051 10.227 7.637 1.00 0.00 N ATOM 700 NH2 ARG A 51 -15.591 10.092 9.864 1.00 0.00 N ATOM 0 HA ARG A 51 -12.692 3.576 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.196 5.854 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.946 5.860 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.887 5.982 8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.195 6.397 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.652 8.443 7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.175 7.899 6.894 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.222 8.015 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.574 9.850 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.592 11.088 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.530 9.611 10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.131 10.954 9.783 1.00 0.00 H new ATOM 714 N GLU A 52 -11.195 3.008 8.062 1.00 0.00 N ATOM 715 CA GLU A 52 -10.306 2.617 9.150 1.00 0.00 C ATOM 716 C GLU A 52 -8.997 3.399 9.090 1.00 0.00 C ATOM 717 O GLU A 52 -8.347 3.465 8.046 1.00 0.00 O ATOM 718 CB GLU A 52 -10.019 1.116 9.090 1.00 0.00 C ATOM 719 CG GLU A 52 -9.467 0.549 10.387 1.00 0.00 C ATOM 720 CD GLU A 52 -7.989 0.839 10.568 1.00 0.00 C ATOM 721 OE1 GLU A 52 -7.225 0.658 9.597 1.00 0.00 O ATOM 722 OE2 GLU A 52 -7.598 1.247 11.682 1.00 0.00 O ATOM 0 H GLU A 52 -10.914 2.666 7.143 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.804 2.847 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.938 0.589 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.308 0.923 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.021 0.968 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.627 -0.529 10.405 1.00 0.00 H new ATOM 729 N LEU A 53 -8.616 3.991 10.217 1.00 0.00 N ATOM 730 CA LEU A 53 -7.385 4.770 10.294 1.00 0.00 C ATOM 731 C LEU A 53 -6.179 3.921 9.906 1.00 0.00 C ATOM 732 O LEU A 53 -5.935 2.865 10.492 1.00 0.00 O ATOM 733 CB LEU A 53 -7.198 5.326 11.707 1.00 0.00 C ATOM 734 CG LEU A 53 -5.944 6.171 11.935 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.989 7.432 11.085 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.799 6.523 13.408 1.00 0.00 C ATOM 0 H LEU A 53 -9.142 3.946 11.090 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.464 5.599 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.070 5.931 11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.180 4.490 12.406 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.075 5.586 11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.089 8.021 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.045 7.159 10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.866 8.021 11.354 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.901 7.124 13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.671 7.089 13.734 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.720 5.608 13.995 1.00 0.00 H new ATOM 748 N ILE A 54 -5.426 4.390 8.916 1.00 0.00 N ATOM 749 CA ILE A 54 -4.243 3.675 8.452 1.00 0.00 C ATOM 750 C ILE A 54 -2.968 4.310 8.998 1.00 0.00 C ATOM 751 O ILE A 54 -2.049 3.611 9.426 1.00 0.00 O ATOM 752 CB ILE A 54 -4.171 3.645 6.914 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.391 2.923 6.338 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.885 2.971 6.457 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.448 1.454 6.694 1.00 0.00 C ATOM 0 H ILE A 54 -5.614 5.261 8.420 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.325 2.654 8.823 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.172 4.671 6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.296 3.411 6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.385 3.026 5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.849 2.957 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.028 3.524 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.856 1.949 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.339 1.007 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.561 0.952 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.486 1.343 7.778 1.00 0.00 H new ATOM 767 N TYR A 55 -2.921 5.637 8.980 1.00 0.00 N ATOM 768 CA TYR A 55 -1.758 6.366 9.473 1.00 0.00 C ATOM 769 C TYR A 55 -2.172 7.702 10.084 1.00 0.00 C ATOM 770 O TYR A 55 -3.214 8.258 9.741 1.00 0.00 O ATOM 771 CB TYR A 55 -0.758 6.599 8.339 1.00 0.00 C ATOM 772 CG TYR A 55 0.520 7.271 8.788 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.428 6.606 9.603 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.819 8.570 8.398 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.597 7.215 10.016 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.987 9.187 8.805 1.00 0.00 C ATOM 777 CZ TYR A 55 2.872 8.506 9.614 1.00 0.00 C ATOM 778 OH TYR A 55 4.035 9.117 10.022 1.00 0.00 O ATOM 0 H TYR A 55 -3.674 6.230 8.630 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.284 5.764 10.248 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.513 5.642 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.230 7.211 7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.216 5.595 9.919 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.127 9.107 7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.292 6.684 10.650 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.205 10.197 8.491 1.00 0.00 H new ATOM 0 HH TYR A 55 4.076 10.023 9.651 1.00 0.00 H new ATOM 788 N ASN A 56 -1.345 8.211 10.991 1.00 0.00 N ATOM 789 CA ASN A 56 -1.624 9.482 11.651 1.00 0.00 C ATOM 790 C ASN A 56 -0.350 10.309 11.799 1.00 0.00 C ATOM 791 O ASN A 56 0.497 10.016 12.643 1.00 0.00 O ATOM 792 CB ASN A 56 -2.250 9.240 13.026 1.00 0.00 C ATOM 793 CG ASN A 56 -2.446 10.525 13.806 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.016 10.639 14.954 1.00 0.00 O ATOM 795 ND2 ASN A 56 -3.099 11.501 13.185 1.00 0.00 N ATOM 0 H ASN A 56 -0.477 7.764 11.286 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.328 10.038 11.031 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.212 8.743 12.902 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.614 8.564 13.598 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.262 12.389 13.660 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.438 11.363 12.233 1.00 0.00 H new ATOM 802 N GLN A 57 -0.223 11.342 10.973 1.00 0.00 N ATOM 803 CA GLN A 57 0.947 12.211 11.012 1.00 0.00 C ATOM 804 C GLN A 57 1.074 12.893 12.370 1.00 0.00 C ATOM 805 O GLN A 57 2.140 12.880 12.987 1.00 0.00 O ATOM 806 CB GLN A 57 0.864 13.264 9.905 1.00 0.00 C ATOM 807 CG GLN A 57 2.202 13.905 9.574 1.00 0.00 C ATOM 808 CD GLN A 57 2.179 14.657 8.258 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.518 14.242 7.305 1.00 0.00 O ATOM 810 NE2 GLN A 57 2.903 15.769 8.198 1.00 0.00 N ATOM 0 H GLN A 57 -0.915 11.598 10.269 1.00 0.00 H new ATOM 0 HA GLN A 57 1.831 11.594 10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.459 12.802 9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.163 14.042 10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.480 14.590 10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.970 13.133 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.435 16.075 9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.927 16.316 7.338 1.00 0.00 H new ATOM 819 N LYS A 58 -0.020 13.488 12.832 1.00 0.00 N ATOM 820 CA LYS A 58 -0.033 14.176 14.118 1.00 0.00 C ATOM 821 C LYS A 58 0.706 13.363 15.176 1.00 0.00 C ATOM 822 O LYS A 58 1.735 13.795 15.695 1.00 0.00 O ATOM 823 CB LYS A 58 -1.474 14.429 14.569 1.00 0.00 C ATOM 824 CG LYS A 58 -1.578 15.024 15.963 1.00 0.00 C ATOM 825 CD LYS A 58 -2.815 15.896 16.106 1.00 0.00 C ATOM 826 CE LYS A 58 -2.603 17.269 15.486 1.00 0.00 C ATOM 827 NZ LYS A 58 -3.761 18.173 15.731 1.00 0.00 N ATOM 0 H LYS A 58 -0.910 13.508 12.335 1.00 0.00 H new ATOM 0 HA LYS A 58 0.477 15.132 13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.956 15.101 13.859 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.025 13.489 14.542 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.610 14.222 16.701 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.688 15.616 16.174 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.664 15.407 15.628 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.064 16.007 17.161 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.699 17.718 15.897 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.446 17.163 14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.462 19.161 15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.521 17.954 15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.109 18.036 16.701 1.00 0.00 H new ATOM 841 N GLU A 59 0.176 12.186 15.490 1.00 0.00 N ATOM 842 CA GLU A 59 0.787 11.314 16.486 1.00 0.00 C ATOM 843 C GLU A 59 0.626 9.847 16.098 1.00 0.00 C ATOM 844 O GLU A 59 0.117 9.530 15.024 1.00 0.00 O ATOM 845 CB GLU A 59 0.165 11.560 17.863 1.00 0.00 C ATOM 846 CG GLU A 59 -1.329 11.288 17.913 1.00 0.00 C ATOM 847 CD GLU A 59 -1.957 11.724 19.222 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.718 12.875 19.642 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.689 10.912 19.827 1.00 0.00 O ATOM 0 H GLU A 59 -0.675 11.814 15.069 1.00 0.00 H new ATOM 0 HA GLU A 59 1.851 11.546 16.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.666 10.928 18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.348 12.594 18.155 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.817 11.808 17.089 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.506 10.222 17.767 1.00 0.00 H new ATOM 856 N GLY A 60 1.064 8.955 16.982 1.00 0.00 N ATOM 857 CA GLY A 60 0.960 7.533 16.714 1.00 0.00 C ATOM 858 C GLY A 60 2.192 6.981 16.024 1.00 0.00 C ATOM 859 O GLY A 60 2.609 7.489 14.982 1.00 0.00 O ATOM 0 H GLY A 60 1.489 9.192 17.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.803 7.000 17.652 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.085 7.347 16.092 1.00 0.00 H new ATOM 863 N HIS A 61 2.779 5.940 16.607 1.00 0.00 N ATOM 864 CA HIS A 61 3.972 5.320 16.041 1.00 0.00 C ATOM 865 C HIS A 61 3.597 4.198 15.078 1.00 0.00 C ATOM 866 O HIS A 61 2.927 3.238 15.458 1.00 0.00 O ATOM 867 CB HIS A 61 4.865 4.774 17.156 1.00 0.00 C ATOM 868 CG HIS A 61 6.185 4.260 16.668 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.364 2.979 16.191 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.394 4.864 16.584 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.626 2.816 15.836 1.00 0.00 C ATOM 872 NE2 HIS A 61 8.272 3.946 16.064 1.00 0.00 N ATOM 0 H HIS A 61 2.448 5.509 17.470 1.00 0.00 H new ATOM 0 HA HIS A 61 4.520 6.082 15.486 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.039 5.562 17.889 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.339 3.970 17.671 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.624 5.879 16.872 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.056 1.913 15.429 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.262 4.110 15.883 1.00 0.00 H new ATOM 881 N PHE A 62 4.032 4.327 13.829 1.00 0.00 N ATOM 882 CA PHE A 62 3.740 3.325 12.810 1.00 0.00 C ATOM 883 C PHE A 62 5.027 2.707 12.271 1.00 0.00 C ATOM 884 O PHE A 62 5.732 3.296 11.451 1.00 0.00 O ATOM 885 CB PHE A 62 2.942 3.950 11.664 1.00 0.00 C ATOM 886 CG PHE A 62 1.637 4.552 12.101 1.00 0.00 C ATOM 887 CD1 PHE A 62 1.604 5.786 12.731 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.443 3.884 11.883 1.00 0.00 C ATOM 889 CE1 PHE A 62 0.405 6.343 13.134 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.759 4.436 12.284 1.00 0.00 C ATOM 891 CZ PHE A 62 -0.778 5.667 12.911 1.00 0.00 C ATOM 0 H PHE A 62 4.588 5.115 13.498 1.00 0.00 H new ATOM 0 HA PHE A 62 3.144 2.537 13.271 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.548 4.721 11.188 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.747 3.188 10.910 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.526 6.319 12.909 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.452 2.921 11.394 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.393 7.306 13.623 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.683 3.905 12.107 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.716 6.100 13.226 1.00 0.00 H new ATOM 901 N PRO A 63 5.342 1.491 12.742 1.00 0.00 N ATOM 902 CA PRO A 63 6.544 0.766 12.322 1.00 0.00 C ATOM 903 C PRO A 63 6.459 0.291 10.875 1.00 0.00 C ATOM 904 O PRO A 63 7.384 0.496 10.089 1.00 0.00 O ATOM 905 CB PRO A 63 6.589 -0.430 13.275 1.00 0.00 C ATOM 906 CG PRO A 63 5.173 -0.636 13.691 1.00 0.00 C ATOM 907 CD PRO A 63 4.547 0.731 13.721 1.00 0.00 C ATOM 0 HA PRO A 63 7.434 1.395 12.363 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.989 -1.315 12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.229 -0.228 14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.652 -1.289 12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.119 -1.111 14.670 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.493 0.697 13.443 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.601 1.176 14.715 1.00 0.00 H new ATOM 915 N ARG A 64 5.343 -0.343 10.530 1.00 0.00 N ATOM 916 CA ARG A 64 5.137 -0.847 9.178 1.00 0.00 C ATOM 917 C ARG A 64 5.124 0.296 8.168 1.00 0.00 C ATOM 918 O ARG A 64 5.698 0.188 7.084 1.00 0.00 O ATOM 919 CB ARG A 64 3.825 -1.630 9.096 1.00 0.00 C ATOM 920 CG ARG A 64 3.863 -2.959 9.833 1.00 0.00 C ATOM 921 CD ARG A 64 2.486 -3.602 9.891 1.00 0.00 C ATOM 922 NE ARG A 64 1.529 -2.781 10.629 1.00 0.00 N ATOM 923 CZ ARG A 64 0.420 -3.261 11.179 1.00 0.00 C ATOM 924 NH1 ARG A 64 0.128 -4.550 11.076 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.401 -2.450 11.835 1.00 0.00 N ATOM 0 H ARG A 64 4.568 -0.520 11.169 1.00 0.00 H new ATOM 0 HA ARG A 64 5.965 -1.513 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.021 -1.019 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.585 -1.812 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.560 -3.633 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.237 -2.805 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.119 -3.764 8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.563 -4.582 10.363 1.00 0.00 H new ATOM 0 HE ARG A 64 1.724 -1.785 10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.756 -5.177 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.725 -4.915 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.180 -1.458 11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.253 -2.819 12.257 1.00 0.00 H new ATOM 939 N VAL A 65 4.463 1.391 8.530 1.00 0.00 N ATOM 940 CA VAL A 65 4.375 2.555 7.656 1.00 0.00 C ATOM 941 C VAL A 65 5.717 3.270 7.555 1.00 0.00 C ATOM 942 O VAL A 65 6.350 3.574 8.567 1.00 0.00 O ATOM 943 CB VAL A 65 3.311 3.551 8.153 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.154 4.701 7.169 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.983 2.844 8.377 1.00 0.00 C ATOM 0 H VAL A 65 3.981 1.496 9.423 1.00 0.00 H new ATOM 0 HA VAL A 65 4.087 2.189 6.670 1.00 0.00 H new ATOM 0 HB VAL A 65 3.642 3.964 9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.398 5.394 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.105 5.223 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.846 4.310 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.243 3.563 8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.644 2.402 7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.110 2.060 9.123 1.00 0.00 H new ATOM 955 N THR A 66 6.149 3.538 6.326 1.00 0.00 N ATOM 956 CA THR A 66 7.417 4.217 6.093 1.00 0.00 C ATOM 957 C THR A 66 7.230 5.440 5.203 1.00 0.00 C ATOM 958 O THR A 66 6.909 5.318 4.020 1.00 0.00 O ATOM 959 CB THR A 66 8.447 3.275 5.441 1.00 0.00 C ATOM 960 OG1 THR A 66 8.600 2.092 6.234 1.00 0.00 O ATOM 961 CG2 THR A 66 9.793 3.967 5.288 1.00 0.00 C ATOM 0 H THR A 66 5.639 3.295 5.477 1.00 0.00 H new ATOM 0 HA THR A 66 7.790 4.533 7.067 1.00 0.00 H new ATOM 0 HB THR A 66 8.082 3.003 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.255 1.498 5.812 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.504 3.282 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.679 4.850 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.162 4.265 6.269 1.00 0.00 H new ATOM 969 N THR A 67 7.433 6.622 5.778 1.00 0.00 N ATOM 970 CA THR A 67 7.286 7.868 5.037 1.00 0.00 C ATOM 971 C THR A 67 8.344 7.987 3.946 1.00 0.00 C ATOM 972 O THR A 67 9.531 8.138 4.233 1.00 0.00 O ATOM 973 CB THR A 67 7.386 9.090 5.969 1.00 0.00 C ATOM 974 OG1 THR A 67 8.613 9.046 6.706 1.00 0.00 O ATOM 975 CG2 THR A 67 6.210 9.133 6.934 1.00 0.00 C ATOM 0 H THR A 67 7.700 6.742 6.755 1.00 0.00 H new ATOM 0 HA THR A 67 6.297 7.849 4.579 1.00 0.00 H new ATOM 0 HB THR A 67 7.364 9.990 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.307 8.621 6.160 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.303 10.005 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.279 9.197 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.205 8.228 7.542 1.00 0.00 H new ATOM 983 N VAL A 68 7.905 7.919 2.693 1.00 0.00 N ATOM 984 CA VAL A 68 8.815 8.021 1.558 1.00 0.00 C ATOM 985 C VAL A 68 9.655 9.290 1.640 1.00 0.00 C ATOM 986 O VAL A 68 10.868 9.258 1.432 1.00 0.00 O ATOM 987 CB VAL A 68 8.049 8.011 0.222 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.989 8.314 -0.935 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.352 6.674 0.018 1.00 0.00 C ATOM 0 H VAL A 68 6.925 7.794 2.438 1.00 0.00 H new ATOM 0 HA VAL A 68 9.471 7.151 1.599 1.00 0.00 H new ATOM 0 HB VAL A 68 7.288 8.791 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.430 8.303 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.437 9.297 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.775 7.559 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.816 6.684 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.093 5.875 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.647 6.503 0.832 1.00 0.00 H new ATOM 999 N SER A 69 9.003 10.407 1.946 1.00 0.00 N ATOM 1000 CA SER A 69 9.689 11.689 2.053 1.00 0.00 C ATOM 1001 C SER A 69 9.648 12.210 3.486 1.00 0.00 C ATOM 1002 O SER A 69 8.940 11.667 4.334 1.00 0.00 O ATOM 1003 CB SER A 69 9.055 12.711 1.108 1.00 0.00 C ATOM 1004 OG SER A 69 9.562 12.573 -0.208 1.00 0.00 O ATOM 0 H SER A 69 8.000 10.450 2.124 1.00 0.00 H new ATOM 0 HA SER A 69 10.731 11.540 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.973 12.581 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.252 13.719 1.473 1.00 0.00 H new ATOM 0 HG SER A 69 9.140 13.236 -0.793 1.00 0.00 H new ATOM 1010 N GLU A 70 10.413 13.265 3.748 1.00 0.00 N ATOM 1011 CA GLU A 70 10.464 13.859 5.078 1.00 0.00 C ATOM 1012 C GLU A 70 9.226 14.712 5.342 1.00 0.00 C ATOM 1013 O GLU A 70 8.741 15.414 4.454 1.00 0.00 O ATOM 1014 CB GLU A 70 11.726 14.711 5.232 1.00 0.00 C ATOM 1015 CG GLU A 70 12.152 14.912 6.677 1.00 0.00 C ATOM 1016 CD GLU A 70 12.524 13.611 7.362 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.472 12.944 6.896 1.00 0.00 O ATOM 1018 OE2 GLU A 70 11.866 13.259 8.363 1.00 0.00 O ATOM 0 H GLU A 70 11.005 13.725 3.057 1.00 0.00 H new ATOM 0 HA GLU A 70 10.489 13.050 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.542 14.240 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.555 15.685 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.003 15.592 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.342 15.389 7.228 1.00 0.00 H new ATOM 1025 N LEU A 71 8.720 14.645 6.568 1.00 0.00 N ATOM 1026 CA LEU A 71 7.538 15.410 6.951 1.00 0.00 C ATOM 1027 C LEU A 71 7.903 16.528 7.922 1.00 0.00 C ATOM 1028 O LEU A 71 7.304 17.604 7.902 1.00 0.00 O ATOM 1029 CB LEU A 71 6.493 14.490 7.584 1.00 0.00 C ATOM 1030 CG LEU A 71 5.953 13.372 6.691 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.127 12.389 7.506 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.126 13.952 5.552 1.00 0.00 C ATOM 0 H LEU A 71 9.109 14.069 7.314 1.00 0.00 H new ATOM 0 HA LEU A 71 7.119 15.859 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.929 14.038 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.653 15.101 7.915 1.00 0.00 H new ATOM 0 HG LEU A 71 6.799 12.835 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.751 11.601 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.749 11.949 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.287 12.912 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.750 13.142 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.287 14.514 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.749 14.615 4.951 1.00 0.00 H new ATOM 1118 N ASN A 76 6.450 20.611 2.787 1.00 0.00 N ATOM 1119 CA ASN A 76 6.533 19.282 2.191 1.00 0.00 C ATOM 1120 C ASN A 76 5.167 18.825 1.689 1.00 0.00 C ATOM 1121 O ASN A 76 4.279 18.502 2.479 1.00 0.00 O ATOM 1122 CB ASN A 76 7.077 18.278 3.209 1.00 0.00 C ATOM 1123 CG ASN A 76 6.713 16.847 2.860 1.00 0.00 C ATOM 1124 OD1 ASN A 76 7.446 16.166 2.143 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.577 16.385 3.368 1.00 0.00 N ATOM 0 HA ASN A 76 7.214 19.333 1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.162 18.371 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.686 18.519 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.281 15.430 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.001 16.985 3.958 1.00 0.00 H new ATOM 1132 N LEU A 77 5.006 18.800 0.370 1.00 0.00 N ATOM 1133 CA LEU A 77 3.748 18.382 -0.239 1.00 0.00 C ATOM 1134 C LEU A 77 3.669 16.861 -0.335 1.00 0.00 C ATOM 1135 O LEU A 77 2.634 16.264 -0.040 1.00 0.00 O ATOM 1136 CB LEU A 77 3.602 19.000 -1.630 1.00 0.00 C ATOM 1137 CG LEU A 77 3.554 20.527 -1.684 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.751 21.018 -3.111 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.238 21.040 -1.119 1.00 0.00 C ATOM 0 H LEU A 77 5.731 19.064 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 77 2.932 18.731 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.435 18.661 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.691 18.611 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 77 4.366 20.918 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.714 22.107 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.720 20.682 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.961 20.617 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.222 22.129 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.410 20.639 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.138 20.720 -0.082 1.00 0.00 H new ATOM 1151 N ASP A 78 4.769 16.242 -0.747 1.00 0.00 N ATOM 1152 CA ASP A 78 4.826 14.790 -0.879 1.00 0.00 C ATOM 1153 C ASP A 78 4.334 14.110 0.395 1.00 0.00 C ATOM 1154 O ASP A 78 4.918 14.277 1.466 1.00 0.00 O ATOM 1155 CB ASP A 78 6.253 14.341 -1.193 1.00 0.00 C ATOM 1156 CG ASP A 78 6.302 12.952 -1.800 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.744 12.018 -1.188 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.900 12.800 -2.886 1.00 0.00 O ATOM 0 H ASP A 78 5.634 16.722 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 78 4.173 14.498 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.711 15.051 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.845 14.356 -0.278 1.00 0.00 H new ATOM 1163 N PHE A 79 3.256 13.343 0.271 1.00 0.00 N ATOM 1164 CA PHE A 79 2.684 12.638 1.413 1.00 0.00 C ATOM 1165 C PHE A 79 2.464 11.164 1.088 1.00 0.00 C ATOM 1166 O PHE A 79 1.430 10.589 1.429 1.00 0.00 O ATOM 1167 CB PHE A 79 1.360 13.284 1.827 1.00 0.00 C ATOM 1168 CG PHE A 79 1.517 14.673 2.376 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.294 14.904 3.499 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.887 15.747 1.769 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.439 16.181 4.008 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.028 17.027 2.273 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.807 17.244 3.393 1.00 0.00 C ATOM 0 H PHE A 79 2.761 13.194 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 79 3.389 12.708 2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.695 13.316 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.878 12.657 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.792 14.077 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.279 15.583 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.046 16.347 4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.530 17.856 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.922 18.243 3.787 1.00 0.00 H new ATOM 1183 N SER A 80 3.444 10.557 0.424 1.00 0.00 N ATOM 1184 CA SER A 80 3.356 9.151 0.048 1.00 0.00 C ATOM 1185 C SER A 80 3.986 8.263 1.116 1.00 0.00 C ATOM 1186 O SER A 80 5.163 8.412 1.448 1.00 0.00 O ATOM 1187 CB SER A 80 4.045 8.918 -1.298 1.00 0.00 C ATOM 1188 OG SER A 80 3.628 9.874 -2.257 1.00 0.00 O ATOM 0 H SER A 80 4.307 11.017 0.136 1.00 0.00 H new ATOM 0 HA SER A 80 2.302 8.889 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.126 8.974 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.817 7.915 -1.658 1.00 0.00 H new ATOM 0 HG SER A 80 4.162 10.690 -2.159 1.00 0.00 H new ATOM 1194 N ILE A 81 3.195 7.339 1.650 1.00 0.00 N ATOM 1195 CA ILE A 81 3.675 6.426 2.680 1.00 0.00 C ATOM 1196 C ILE A 81 3.905 5.029 2.113 1.00 0.00 C ATOM 1197 O ILE A 81 3.474 4.721 1.002 1.00 0.00 O ATOM 1198 CB ILE A 81 2.685 6.333 3.856 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.274 6.040 3.342 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.703 7.621 4.666 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.348 5.486 4.402 1.00 0.00 C ATOM 0 H ILE A 81 2.219 7.203 1.387 1.00 0.00 H new ATOM 0 HA ILE A 81 4.621 6.829 3.042 1.00 0.00 H new ATOM 0 HB ILE A 81 2.992 5.513 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.845 6.958 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.336 5.329 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.998 7.540 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.706 7.790 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.418 8.457 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.634 5.302 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.755 4.551 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.255 6.205 5.216 1.00 0.00 H new ATOM 1213 N SER A 82 4.586 4.187 2.884 1.00 0.00 N ATOM 1214 CA SER A 82 4.875 2.823 2.457 1.00 0.00 C ATOM 1215 C SER A 82 4.592 1.831 3.581 1.00 0.00 C ATOM 1216 O SER A 82 5.366 1.717 4.532 1.00 0.00 O ATOM 1217 CB SER A 82 6.334 2.704 2.012 1.00 0.00 C ATOM 1218 OG SER A 82 6.512 3.220 0.704 1.00 0.00 O ATOM 0 H SER A 82 4.948 4.425 3.807 1.00 0.00 H new ATOM 0 HA SER A 82 4.225 2.586 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.975 3.243 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.642 1.659 2.039 1.00 0.00 H new ATOM 0 HG SER A 82 7.453 3.134 0.444 1.00 0.00 H new ATOM 1224 N ILE A 83 3.478 1.116 3.464 1.00 0.00 N ATOM 1225 CA ILE A 83 3.093 0.133 4.469 1.00 0.00 C ATOM 1226 C ILE A 83 3.693 -1.234 4.159 1.00 0.00 C ATOM 1227 O ILE A 83 3.314 -1.883 3.185 1.00 0.00 O ATOM 1228 CB ILE A 83 1.562 -0.001 4.567 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.928 1.355 4.884 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.187 -1.027 5.626 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.583 1.318 4.940 1.00 0.00 C ATOM 0 H ILE A 83 2.827 1.199 2.684 1.00 0.00 H new ATOM 0 HA ILE A 83 3.480 0.489 5.424 1.00 0.00 H new ATOM 0 HB ILE A 83 1.180 -0.343 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.310 1.711 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.238 2.077 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.102 -1.110 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.612 -1.995 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.578 -0.711 6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.963 2.314 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.975 0.993 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.901 0.621 5.715 1.00 0.00 H new ATOM 1243 N SER A 84 4.631 -1.666 4.996 1.00 0.00 N ATOM 1244 CA SER A 84 5.286 -2.955 4.811 1.00 0.00 C ATOM 1245 C SER A 84 4.494 -4.069 5.491 1.00 0.00 C ATOM 1246 O SER A 84 3.745 -3.825 6.436 1.00 0.00 O ATOM 1247 CB SER A 84 6.710 -2.913 5.369 1.00 0.00 C ATOM 1248 OG SER A 84 7.352 -4.168 5.224 1.00 0.00 O ATOM 0 H SER A 84 4.954 -1.142 5.809 1.00 0.00 H new ATOM 0 HA SER A 84 5.329 -3.163 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.284 -2.145 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.683 -2.634 6.422 1.00 0.00 H new ATOM 0 HG SER A 84 8.261 -4.114 5.587 1.00 0.00 H new ATOM 1254 N ASN A 85 4.667 -5.292 5.001 1.00 0.00 N ATOM 1255 CA ASN A 85 3.969 -6.445 5.560 1.00 0.00 C ATOM 1256 C ASN A 85 2.485 -6.405 5.207 1.00 0.00 C ATOM 1257 O ASN A 85 1.627 -6.581 6.072 1.00 0.00 O ATOM 1258 CB ASN A 85 4.143 -6.485 7.079 1.00 0.00 C ATOM 1259 CG ASN A 85 3.879 -7.863 7.655 1.00 0.00 C ATOM 1260 OD1 ASN A 85 4.785 -8.691 7.752 1.00 0.00 O ATOM 1261 ND2 ASN A 85 2.633 -8.115 8.040 1.00 0.00 N ATOM 0 H ASN A 85 5.284 -5.511 4.219 1.00 0.00 H new ATOM 0 HA ASN A 85 4.403 -7.347 5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.157 -6.176 7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.465 -5.766 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.395 -9.025 8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.914 -7.398 7.941 1.00 0.00 H new ATOM 1268 N ILE A 86 2.191 -6.174 3.932 1.00 0.00 N ATOM 1269 CA ILE A 86 0.812 -6.114 3.465 1.00 0.00 C ATOM 1270 C ILE A 86 0.088 -7.432 3.717 1.00 0.00 C ATOM 1271 O ILE A 86 0.687 -8.506 3.648 1.00 0.00 O ATOM 1272 CB ILE A 86 0.740 -5.780 1.963 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.057 -4.302 1.731 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.634 -6.127 1.409 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.023 -3.367 2.229 1.00 0.00 C ATOM 0 H ILE A 86 2.890 -6.025 3.204 1.00 0.00 H new ATOM 0 HA ILE A 86 0.322 -5.320 4.029 1.00 0.00 H new ATOM 0 HB ILE A 86 1.484 -6.378 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.996 -4.058 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.208 -4.134 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.670 -5.885 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.823 -7.192 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.395 -5.553 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.269 -2.336 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.958 -3.584 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.159 -3.506 3.301 1.00 0.00 H new ATOM 1287 N THR A 87 -1.206 -7.344 4.009 1.00 0.00 N ATOM 1288 CA THR A 87 -2.013 -8.529 4.270 1.00 0.00 C ATOM 1289 C THR A 87 -3.245 -8.564 3.373 1.00 0.00 C ATOM 1290 O THR A 87 -3.756 -7.532 2.938 1.00 0.00 O ATOM 1291 CB THR A 87 -2.462 -8.589 5.743 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.103 -7.362 6.110 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.276 -8.842 6.660 1.00 0.00 C ATOM 0 H THR A 87 -1.717 -6.464 4.071 1.00 0.00 H new ATOM 0 HA THR A 87 -1.385 -9.393 4.053 1.00 0.00 H new ATOM 0 HB THR A 87 -3.167 -9.413 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.429 -6.658 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.618 -8.880 7.694 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.809 -9.791 6.397 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.550 -8.036 6.547 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.736 -9.780 3.089 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.916 -9.978 2.242 1.00 0.00 C ATOM 1303 C PRO A 88 -6.200 -9.509 2.917 1.00 0.00 C ATOM 1304 O PRO A 88 -7.279 -9.569 2.328 1.00 0.00 O ATOM 1305 CB PRO A 88 -4.947 -11.493 2.027 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.236 -12.058 3.207 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.178 -11.053 3.573 1.00 0.00 C ATOM 0 HA PRO A 88 -4.856 -9.403 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.970 -11.863 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.452 -11.771 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.924 -12.220 4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.791 -13.024 2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.999 -11.031 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.225 -11.281 3.096 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.076 -9.042 4.155 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.227 -8.561 4.909 1.00 0.00 C ATOM 1317 C ALA A 89 -7.194 -7.043 5.051 1.00 0.00 C ATOM 1318 O ALA A 89 -8.086 -6.447 5.655 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.273 -9.220 6.279 1.00 0.00 C ATOM 0 H ALA A 89 -5.190 -8.987 4.657 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.129 -8.829 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.138 -8.851 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.352 -10.301 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.363 -8.981 6.829 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.161 -6.423 4.491 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.013 -4.974 4.555 1.00 0.00 C ATOM 1327 C ASP A 90 -6.420 -4.327 3.234 1.00 0.00 C ATOM 1328 O ASP A 90 -6.582 -3.110 3.152 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.568 -4.602 4.895 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.325 -4.535 6.390 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.236 -4.093 7.119 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.222 -4.923 6.830 1.00 0.00 O ATOM 0 H ASP A 90 -5.414 -6.901 3.988 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.671 -4.601 5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.893 -5.335 4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.329 -3.637 4.447 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.582 -5.150 2.204 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.971 -4.659 0.888 1.00 0.00 C ATOM 1339 C ALA A 91 -8.235 -3.810 0.970 1.00 0.00 C ATOM 1340 O ALA A 91 -8.895 -3.760 2.008 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.176 -5.822 -0.071 1.00 0.00 C ATOM 0 H ALA A 91 -6.450 -6.160 2.255 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.165 -4.029 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.466 -5.440 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.248 -6.386 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.961 -6.475 0.311 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.568 -3.142 -0.131 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.752 -2.304 -0.161 1.00 0.00 C ATOM 1349 C GLY A 92 -9.535 -1.022 -0.941 1.00 0.00 C ATOM 1350 O GLY A 92 -9.394 -1.047 -2.164 1.00 0.00 O ATOM 0 H GLY A 92 -8.038 -3.167 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.577 -2.861 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.046 -2.059 0.860 1.00 0.00 H new ATOM 1354 N THR A 93 -9.510 0.103 -0.233 1.00 0.00 N ATOM 1355 CA THR A 93 -9.312 1.400 -0.867 1.00 0.00 C ATOM 1356 C THR A 93 -8.873 2.447 0.150 1.00 0.00 C ATOM 1357 O THR A 93 -9.616 2.779 1.074 1.00 0.00 O ATOM 1358 CB THR A 93 -10.596 1.885 -1.566 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.265 0.780 -2.183 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.275 2.940 -2.614 1.00 0.00 C ATOM 0 H THR A 93 -9.624 0.142 0.780 1.00 0.00 H new ATOM 0 HA THR A 93 -8.528 1.271 -1.613 1.00 0.00 H new ATOM 0 HB THR A 93 -11.248 2.329 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.603 0.177 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.197 3.268 -3.095 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.792 3.792 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.606 2.517 -3.363 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.663 2.966 -0.026 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.125 3.975 0.878 1.00 0.00 C ATOM 1370 C TYR A 94 -7.358 5.379 0.329 1.00 0.00 C ATOM 1371 O TYR A 94 -6.803 5.754 -0.704 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.629 3.745 1.101 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.306 2.392 1.693 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.618 1.221 1.011 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.690 2.283 2.933 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.325 -0.017 1.549 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.392 1.048 3.477 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.712 -0.099 2.781 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.419 -1.330 3.320 1.00 0.00 O ATOM 0 H TYR A 94 -7.036 2.704 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.646 3.886 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.108 3.849 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.245 4.522 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.097 1.280 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.440 3.179 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.575 -0.917 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.911 0.981 4.442 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.195 -1.921 3.226 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.184 6.150 1.027 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.494 7.513 0.609 1.00 0.00 C ATOM 1391 C TYR A 95 -7.673 8.525 1.402 1.00 0.00 C ATOM 1392 O TYR A 95 -7.908 8.736 2.593 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.986 7.796 0.789 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.881 6.763 0.142 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.208 5.586 0.804 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.400 6.964 -1.131 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -12.024 4.639 0.217 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.218 6.023 -1.726 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.527 4.862 -1.048 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.342 3.922 -1.636 1.00 0.00 O ATOM 0 H TYR A 95 -8.651 5.855 1.885 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.237 7.611 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.212 7.844 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.214 8.776 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.817 5.409 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.160 7.872 -1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.267 3.729 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.613 6.195 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.611 4.233 -2.526 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.710 9.150 0.733 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.853 10.141 1.373 1.00 0.00 C ATOM 1412 C CYS A 96 -6.658 11.372 1.783 1.00 0.00 C ATOM 1413 O CYS A 96 -7.060 12.173 0.940 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.720 10.551 0.430 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.304 11.335 1.266 1.00 0.00 S ATOM 0 H CYS A 96 -6.503 8.988 -0.253 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.426 9.691 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.369 9.668 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.115 11.240 -0.317 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.888 11.514 3.085 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.642 12.647 3.608 1.00 0.00 C ATOM 1422 C VAL A 97 -6.710 13.759 4.075 1.00 0.00 C ATOM 1423 O VAL A 97 -5.821 13.536 4.897 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.547 12.224 4.780 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.206 13.441 5.412 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.594 11.225 4.311 1.00 0.00 C ATOM 0 H VAL A 97 -6.563 10.859 3.796 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.264 13.017 2.793 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.929 11.740 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.842 13.123 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.438 14.118 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.812 13.955 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.225 10.937 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.210 11.680 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.099 10.341 3.909 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.919 14.960 3.546 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.100 16.110 3.909 1.00 0.00 C ATOM 1438 C LYS A 98 -6.748 16.906 5.036 1.00 0.00 C ATOM 1439 O LYS A 98 -7.469 17.874 4.792 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.884 17.013 2.692 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.226 18.340 3.028 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.889 18.139 3.722 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.331 19.453 4.247 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.844 19.432 4.325 1.00 0.00 N ATOM 0 H LYS A 98 -7.650 15.162 2.864 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.135 15.741 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.268 16.486 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.846 17.204 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.080 18.916 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.887 18.923 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.008 17.437 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.179 17.694 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.649 20.268 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.744 19.654 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.473 20.384 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.550 19.132 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.469 18.765 3.621 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.487 16.493 6.272 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.046 17.168 7.438 1.00 0.00 C ATOM 1460 C PHE A 99 -6.491 18.584 7.564 1.00 0.00 C ATOM 1461 O PHE A 99 -5.297 18.814 7.370 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.739 16.373 8.709 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.818 15.396 9.080 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.878 14.149 8.479 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.773 15.724 10.029 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.869 13.247 8.818 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.766 14.827 10.372 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.815 13.587 9.765 1.00 0.00 C ATOM 0 H PHE A 99 -5.892 15.694 6.492 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.126 17.230 7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.802 15.833 8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.589 17.068 9.535 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.142 13.879 7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.741 16.692 10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.903 12.278 8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.503 15.095 11.114 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.592 12.885 10.030 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.367 19.529 7.889 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.966 20.923 8.039 1.00 0.00 C ATOM 1480 C ARG A 100 -6.809 21.288 9.512 1.00 0.00 C ATOM 1481 O ARG A 100 -7.613 20.884 10.353 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.994 21.845 7.381 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.248 22.052 8.214 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.356 22.702 7.401 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.305 23.423 8.246 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.250 24.226 7.770 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.372 24.411 6.463 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.076 24.847 8.603 1.00 0.00 N ATOM 0 H ARG A 100 -8.359 19.355 8.053 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.003 21.053 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.531 22.813 7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.275 21.429 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.593 21.092 8.599 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.014 22.676 9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.919 23.391 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.885 21.937 6.833 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.238 23.303 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.739 23.936 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.099 25.028 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.985 24.708 9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -13.801 25.463 8.237 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.768 22.054 9.819 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.505 22.475 11.190 1.00 0.00 C ATOM 1504 C LYS A 101 -6.671 23.288 11.743 1.00 0.00 C ATOM 1505 O LYS A 101 -6.881 24.435 11.353 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.218 23.301 11.253 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.514 23.230 12.598 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.337 24.188 12.663 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.697 24.191 14.042 1.00 0.00 C ATOM 1510 NZ LYS A 101 -1.026 25.487 14.340 1.00 0.00 N ATOM 0 H LYS A 101 -5.092 22.396 9.136 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.386 21.581 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.536 22.955 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.453 24.342 11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.221 23.467 13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.166 22.212 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.595 23.905 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.672 25.195 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.459 23.995 14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.969 23.382 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.602 25.448 15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.282 25.663 13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.725 26.256 14.304 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.426 22.685 12.656 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.561 23.369 13.249 1.00 0.00 C ATOM 1526 C GLY A 102 -8.733 23.039 14.719 1.00 0.00 C ATOM 1527 O GLY A 102 -7.932 22.303 15.295 1.00 0.00 O ATOM 0 H GLY A 102 -7.272 21.736 12.996 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.433 24.445 13.134 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.468 23.096 12.710 1.00 0.00 H new ATOM 1531 N SER A 103 -9.781 23.585 15.327 1.00 0.00 N ATOM 1532 CA SER A 103 -10.053 23.349 16.740 1.00 0.00 C ATOM 1533 C SER A 103 -11.487 22.870 16.945 1.00 0.00 C ATOM 1534 O SER A 103 -12.390 23.182 16.168 1.00 0.00 O ATOM 1535 CB SER A 103 -9.810 24.625 17.548 1.00 0.00 C ATOM 1536 OG SER A 103 -10.925 25.497 17.473 1.00 0.00 O ATOM 0 H SER A 103 -10.456 24.194 14.863 1.00 0.00 H new ATOM 0 HA SER A 103 -9.375 22.571 17.090 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.615 24.368 18.589 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.921 25.133 17.173 1.00 0.00 H new ATOM 0 HG SER A 103 -10.745 26.304 17.999 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.703 22.092 18.016 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.636 21.714 18.947 1.00 0.00 C ATOM 1544 C PRO A 104 -9.639 20.744 18.323 1.00 0.00 C ATOM 1545 O PRO A 104 -8.678 20.325 18.969 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.391 21.039 20.095 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.649 20.535 19.478 1.00 0.00 C ATOM 1548 CD PRO A 104 -13.005 21.522 18.400 1.00 0.00 C ATOM 0 HA PRO A 104 -10.041 22.573 19.256 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.809 20.225 20.527 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.600 21.744 20.900 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.508 19.537 19.063 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.445 20.462 20.219 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.495 21.036 17.556 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.687 22.289 18.767 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.872 20.392 17.063 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.992 19.473 16.351 1.00 0.00 C ATOM 1558 C ASP A 105 -9.117 19.662 14.842 1.00 0.00 C ATOM 1559 O ASP A 105 -9.978 20.403 14.368 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.319 18.027 16.725 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.712 17.621 18.054 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -9.323 17.919 19.101 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -7.625 17.006 18.046 1.00 0.00 O ATOM 0 H ASP A 105 -10.663 20.729 16.514 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.965 19.692 16.643 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.401 17.902 16.770 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.953 17.361 15.943 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.251 18.987 14.094 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.263 19.081 12.638 1.00 0.00 C ATOM 1570 C ASP A 106 -9.624 18.677 12.080 1.00 0.00 C ATOM 1571 O ASP A 106 -10.427 18.046 12.768 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.170 18.194 12.040 1.00 0.00 C ATOM 1573 CG ASP A 106 -5.883 18.243 12.840 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -5.265 19.327 12.904 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.492 17.198 13.401 1.00 0.00 O ATOM 0 H ASP A 106 -7.532 18.369 14.471 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.070 20.118 12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.526 17.165 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.970 18.509 11.016 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.878 19.047 10.828 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.142 18.724 10.177 1.00 0.00 C ATOM 1582 C VAL A 107 -10.918 18.266 8.740 1.00 0.00 C ATOM 1583 O VAL A 107 -10.145 18.872 7.999 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.098 19.931 10.177 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.325 19.641 9.326 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.498 20.294 11.599 1.00 0.00 C ATOM 0 H VAL A 107 -9.225 19.570 10.245 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.594 17.913 10.748 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.578 20.784 9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.989 20.505 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.017 19.435 8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.850 18.775 9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.174 21.149 11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.000 19.445 12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.607 20.548 12.174 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.601 17.192 8.354 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.476 16.653 7.005 1.00 0.00 C ATOM 1598 C GLU A 108 -11.800 17.718 5.961 1.00 0.00 C ATOM 1599 O GLU A 108 -12.965 18.047 5.735 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.402 15.449 6.825 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.488 14.956 5.390 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.161 13.602 5.278 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -12.457 12.577 5.402 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.391 13.566 5.067 1.00 0.00 O ATOM 0 H GLU A 108 -12.245 16.679 8.956 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.444 16.333 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.053 14.635 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.401 15.715 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.039 15.682 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.484 14.894 4.970 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.761 18.254 5.328 1.00 0.00 N ATOM 1612 CA PHE A 109 -10.934 19.283 4.310 1.00 0.00 C ATOM 1613 C PHE A 109 -11.045 18.661 2.921 1.00 0.00 C ATOM 1614 O PHE A 109 -12.050 18.829 2.231 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.765 20.269 4.347 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.779 21.259 3.217 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.616 22.363 3.257 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -8.956 21.086 2.117 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.632 23.275 2.218 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -8.967 21.995 1.075 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.805 23.091 1.127 1.00 0.00 C ATOM 0 H PHE A 109 -9.791 17.992 5.503 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.859 19.818 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.786 20.810 5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.829 19.711 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.263 22.512 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.298 20.231 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.290 24.130 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.321 21.848 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.814 23.804 0.316 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.004 17.940 2.517 1.00 0.00 N ATOM 1632 CA LYS A 110 -9.982 17.291 1.212 1.00 0.00 C ATOM 1633 C LYS A 110 -10.013 15.773 1.359 1.00 0.00 C ATOM 1634 O LYS A 110 -9.931 15.246 2.468 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.736 17.714 0.430 1.00 0.00 C ATOM 1636 CG LYS A 110 -8.981 17.882 -1.059 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.366 19.311 -1.404 1.00 0.00 C ATOM 1638 CE LYS A 110 -10.774 19.638 -0.933 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.269 20.918 -1.510 1.00 0.00 N ATOM 0 H LYS A 110 -9.164 17.791 3.076 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.871 17.603 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.364 18.654 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.954 16.970 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.083 17.603 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.773 17.204 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.658 20.001 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.299 19.457 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.448 18.829 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.787 19.701 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.307 20.896 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.971 21.710 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.875 21.044 -2.464 1.00 0.00 H new ATOM 1653 N SER A 111 -10.129 15.076 0.233 1.00 0.00 N ATOM 1654 CA SER A 111 -10.173 13.619 0.237 1.00 0.00 C ATOM 1655 C SER A 111 -9.754 13.059 -1.119 1.00 0.00 C ATOM 1656 O SER A 111 -10.302 13.436 -2.155 1.00 0.00 O ATOM 1657 CB SER A 111 -11.578 13.130 0.591 1.00 0.00 C ATOM 1658 OG SER A 111 -11.608 11.720 0.732 1.00 0.00 O ATOM 0 H SER A 111 -10.194 15.497 -0.694 1.00 0.00 H new ATOM 0 HA SER A 111 -9.472 13.262 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.906 13.598 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.279 13.436 -0.186 1.00 0.00 H new ATOM 0 HG SER A 111 -12.517 11.433 0.960 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.778 12.156 -1.104 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.302 11.558 -2.338 1.00 0.00 C ATOM 1666 C GLY A 112 -9.306 10.597 -2.942 1.00 0.00 C ATOM 1667 O GLY A 112 -10.018 9.898 -2.221 1.00 0.00 O ATOM 0 H GLY A 112 -8.309 11.828 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.080 12.346 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.368 11.029 -2.145 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.365 10.561 -4.269 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.289 9.678 -4.970 1.00 0.00 C ATOM 1673 C ALA A 113 -10.363 8.313 -4.293 1.00 0.00 C ATOM 1674 O ALA A 113 -11.428 7.702 -4.223 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.873 9.526 -6.425 1.00 0.00 C ATOM 0 H ALA A 113 -8.783 11.134 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.281 10.127 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.572 8.864 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.878 10.503 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.870 9.102 -6.474 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.223 7.841 -3.798 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.181 6.550 -3.135 1.00 0.00 C ATOM 1683 C GLY A 114 -8.308 5.551 -3.867 1.00 0.00 C ATOM 1684 O GLY A 114 -8.705 5.005 -4.897 1.00 0.00 O ATOM 0 H GLY A 114 -8.328 8.329 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.807 6.679 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.193 6.153 -3.055 1.00 0.00 H new ATOM 1688 N THR A 115 -7.114 5.309 -3.335 1.00 0.00 N ATOM 1689 CA THR A 115 -6.181 4.370 -3.946 1.00 0.00 C ATOM 1690 C THR A 115 -6.544 2.931 -3.599 1.00 0.00 C ATOM 1691 O THR A 115 -6.368 2.494 -2.463 1.00 0.00 O ATOM 1692 CB THR A 115 -4.733 4.645 -3.497 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.311 5.932 -3.964 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.790 3.575 -4.025 1.00 0.00 C ATOM 0 H THR A 115 -6.770 5.750 -2.482 1.00 0.00 H new ATOM 0 HA THR A 115 -6.252 4.510 -5.025 1.00 0.00 H new ATOM 0 HB THR A 115 -4.705 4.627 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.051 5.869 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.774 3.791 -3.695 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.096 2.600 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.823 3.566 -5.114 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.050 2.199 -4.587 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.437 0.808 -4.385 1.00 0.00 C ATOM 1704 C GLU A 116 -6.207 -0.088 -4.272 1.00 0.00 C ATOM 1705 O GLU A 116 -5.259 0.038 -5.049 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.326 0.330 -5.535 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.614 -1.161 -5.503 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.304 -1.650 -6.762 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -8.728 -1.482 -7.857 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.420 -2.199 -6.651 1.00 0.00 O ATOM 0 H GLU A 116 -7.201 2.546 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.998 0.746 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.270 0.874 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.846 0.578 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.679 -1.705 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.239 -1.388 -4.639 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.229 -0.993 -3.299 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.116 -1.911 -3.083 1.00 0.00 C ATOM 1719 C LEU A 117 -5.457 -3.309 -3.589 1.00 0.00 C ATOM 1720 O LEU A 117 -6.498 -3.868 -3.245 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.758 -1.968 -1.597 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.511 -2.777 -1.238 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.255 -2.055 -1.700 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.458 -3.038 0.260 1.00 0.00 C ATOM 0 H LEU A 117 -7.005 -1.111 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.258 -1.541 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.621 -0.948 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.606 -2.386 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.563 -3.737 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.378 -2.646 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.290 -1.920 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.196 -1.081 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.564 -3.615 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.429 -2.088 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.342 -3.598 0.563 1.00 0.00 H new ATOM 1736 N SER A 118 -4.572 -3.868 -4.408 1.00 0.00 N ATOM 1737 CA SER A 118 -4.779 -5.201 -4.963 1.00 0.00 C ATOM 1738 C SER A 118 -3.828 -6.209 -4.326 1.00 0.00 C ATOM 1739 O SER A 118 -2.862 -6.648 -4.950 1.00 0.00 O ATOM 1740 CB SER A 118 -4.579 -5.181 -6.480 1.00 0.00 C ATOM 1741 OG SER A 118 -5.135 -6.337 -7.082 1.00 0.00 O ATOM 0 H SER A 118 -3.705 -3.419 -4.702 1.00 0.00 H new ATOM 0 HA SER A 118 -5.802 -5.505 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.044 -4.289 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.515 -5.124 -6.709 1.00 0.00 H new ATOM 0 HG SER A 118 -4.996 -6.300 -8.051 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.108 -6.572 -3.079 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.279 -7.529 -2.356 1.00 0.00 C ATOM 1749 C VAL A 119 -3.251 -8.878 -3.066 1.00 0.00 C ATOM 1750 O VAL A 119 -4.279 -9.543 -3.197 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.782 -7.731 -0.914 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.187 -8.312 -0.915 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.827 -8.624 -0.137 1.00 0.00 C ATOM 0 H VAL A 119 -4.903 -6.218 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.271 -7.116 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.817 -6.760 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.525 -8.448 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.862 -7.630 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.182 -9.275 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.198 -8.756 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.757 -9.595 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.840 -8.162 -0.106 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.068 -9.276 -3.522 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.906 -10.546 -4.219 1.00 0.00 C ATOM 1765 C ARG A 120 -1.616 -11.674 -3.234 1.00 0.00 C ATOM 1766 O ARG A 120 -1.150 -11.435 -2.120 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.776 -10.448 -5.246 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.191 -9.775 -6.545 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.025 -10.705 -7.412 1.00 0.00 C ATOM 1770 NE ARG A 120 -3.414 -10.770 -6.966 1.00 0.00 N ATOM 1771 CZ ARG A 120 -4.259 -11.729 -7.329 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -3.857 -12.698 -8.139 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -5.507 -11.719 -6.881 1.00 0.00 N ATOM 0 H ARG A 120 -1.208 -8.737 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.839 -10.770 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.054 -9.894 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.409 -11.450 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -1.762 -8.873 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.303 -9.463 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.992 -10.363 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -1.591 -11.705 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 120 -3.754 -10.039 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.897 -12.708 -8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.507 -13.433 -8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.819 -10.975 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.155 -12.456 -7.160 1.00 0.00 H new ATOM 1787 N ALA A 121 -1.894 -12.905 -3.652 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.662 -14.070 -2.808 1.00 0.00 C ATOM 1789 C ALA A 121 -0.226 -14.568 -2.943 1.00 0.00 C ATOM 1790 O ALA A 121 0.387 -14.446 -4.003 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.642 -15.179 -3.157 1.00 0.00 C ATOM 0 H ALA A 121 -2.280 -13.121 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.821 -13.774 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.457 -16.043 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.661 -14.826 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.511 -15.465 -4.201 1.00 0.00 H new ATOM 1797 N LYS A 122 0.304 -15.128 -1.861 1.00 0.00 N ATOM 1798 CA LYS A 122 1.667 -15.646 -1.858 1.00 0.00 C ATOM 1799 C LYS A 122 2.026 -16.243 -3.215 1.00 0.00 C ATOM 1800 O LYS A 122 1.192 -16.838 -3.898 1.00 0.00 O ATOM 1801 CB LYS A 122 1.831 -16.703 -0.764 1.00 0.00 C ATOM 1802 CG LYS A 122 2.107 -16.119 0.611 1.00 0.00 C ATOM 1803 CD LYS A 122 2.351 -17.209 1.641 1.00 0.00 C ATOM 1804 CE LYS A 122 3.129 -16.681 2.837 1.00 0.00 C ATOM 1805 NZ LYS A 122 3.507 -17.771 3.778 1.00 0.00 N ATOM 0 H LYS A 122 -0.190 -15.235 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 122 2.344 -14.816 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.926 -17.308 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.648 -17.371 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.976 -15.463 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.262 -15.505 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.396 -17.614 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.902 -18.029 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.029 -16.173 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.527 -15.940 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.035 -17.370 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.648 -18.240 4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.102 -18.466 3.283 1.00 0.00 H new