USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 23 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.78) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 30:sc= 0.715 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -140:sc= 0.11 USER MOD Single : A 52 SER OG : rot -49:sc= 0.288 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -23:sc= 0.137 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 72 TYR OH : rot 176:sc= 0.244 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 160:sc= -4.59 (180deg=-5.71!) USER MOD Single : A 80 TYR OH : rot -24:sc= 0.859 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -117:sc= -0.716 (180deg=-1.51!) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc=-0.00258 (180deg=-0.555) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -2.82! X(o=-2.8!,f=-2.4) USER MOD Single : A 99 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.321 16.214 5.680 1.00 0.00 N ATOM 81 CA PHE A 9 11.571 14.975 5.512 1.00 0.00 C ATOM 82 C PHE A 9 10.200 15.074 6.174 1.00 0.00 C ATOM 83 O PHE A 9 10.040 15.742 7.196 1.00 0.00 O ATOM 84 CB PHE A 9 12.351 13.798 6.102 1.00 0.00 C ATOM 85 CG PHE A 9 11.473 12.689 6.604 1.00 0.00 C ATOM 86 CD1 PHE A 9 10.908 12.753 7.868 1.00 0.00 C ATOM 87 CD2 PHE A 9 11.211 11.582 5.813 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.100 11.733 8.334 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.403 10.559 6.273 1.00 0.00 C ATOM 90 CZ PHE A 9 9.846 10.635 7.535 1.00 0.00 C ATOM 0 HA PHE A 9 11.428 14.809 4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.025 13.402 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.972 14.159 6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.101 13.610 8.496 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.643 11.518 4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.668 11.794 9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.207 9.701 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.213 9.838 7.896 1.00 0.00 H new ATOM 100 N ASP A 10 9.216 14.405 5.585 1.00 0.00 N ATOM 101 CA ASP A 10 7.858 14.417 6.117 1.00 0.00 C ATOM 102 C ASP A 10 6.983 13.397 5.396 1.00 0.00 C ATOM 103 O ASP A 10 6.769 13.471 4.185 1.00 0.00 O ATOM 104 CB ASP A 10 7.248 15.814 5.987 1.00 0.00 C ATOM 105 CG ASP A 10 7.631 16.722 7.138 1.00 0.00 C ATOM 106 OD1 ASP A 10 7.742 16.223 8.277 1.00 0.00 O ATOM 107 OD2 ASP A 10 7.820 17.933 6.900 1.00 0.00 O ATOM 0 H ASP A 10 9.333 13.847 4.739 1.00 0.00 H new ATOM 0 HA ASP A 10 7.905 14.147 7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.574 16.264 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.162 15.730 5.940 1.00 0.00 H new ATOM 112 N PRO A 11 6.464 12.420 6.154 1.00 0.00 N ATOM 113 CA PRO A 11 5.604 11.366 5.609 1.00 0.00 C ATOM 114 C PRO A 11 4.238 11.894 5.183 1.00 0.00 C ATOM 115 O PRO A 11 3.622 11.371 4.254 1.00 0.00 O ATOM 116 CB PRO A 11 5.458 10.387 6.776 1.00 0.00 C ATOM 117 CG PRO A 11 5.678 11.215 7.995 1.00 0.00 C ATOM 118 CD PRO A 11 6.676 12.270 7.604 1.00 0.00 C ATOM 0 HA PRO A 11 6.029 10.919 4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.471 9.925 6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.187 9.580 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.745 11.666 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.055 10.607 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.500 13.206 8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.696 11.962 7.831 1.00 0.00 H new ATOM 126 N SER A 12 3.771 12.933 5.867 1.00 0.00 N ATOM 127 CA SER A 12 2.476 13.530 5.561 1.00 0.00 C ATOM 128 C SER A 12 2.457 14.087 4.141 1.00 0.00 C ATOM 129 O SER A 12 1.435 14.038 3.456 1.00 0.00 O ATOM 130 CB SER A 12 2.155 14.642 6.562 1.00 0.00 C ATOM 131 OG SER A 12 2.144 14.146 7.889 1.00 0.00 O ATOM 0 H SER A 12 4.270 13.379 6.637 1.00 0.00 H new ATOM 0 HA SER A 12 1.717 12.752 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.894 15.439 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.185 15.079 6.326 1.00 0.00 H new ATOM 0 HG SER A 12 1.938 14.876 8.509 1.00 0.00 H new ATOM 137 N LYS A 13 3.594 14.616 3.704 1.00 0.00 N ATOM 138 CA LYS A 13 3.711 15.182 2.365 1.00 0.00 C ATOM 139 C LYS A 13 3.553 14.100 1.302 1.00 0.00 C ATOM 140 O LYS A 13 3.190 14.386 0.161 1.00 0.00 O ATOM 141 CB LYS A 13 5.062 15.880 2.201 1.00 0.00 C ATOM 142 CG LYS A 13 5.218 17.117 3.069 1.00 0.00 C ATOM 143 CD LYS A 13 4.340 18.256 2.581 1.00 0.00 C ATOM 144 CE LYS A 13 4.035 19.243 3.697 1.00 0.00 C ATOM 145 NZ LYS A 13 5.068 20.311 3.792 1.00 0.00 N ATOM 0 H LYS A 13 4.449 14.665 4.258 1.00 0.00 H new ATOM 0 HA LYS A 13 2.913 15.913 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.857 15.175 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.192 16.161 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.960 16.874 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.261 17.434 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.837 18.775 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.408 17.854 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.059 19.696 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.975 18.710 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.823 20.963 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.995 19.881 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.108 20.836 2.895 1.00 0.00 H new ATOM 159 N VAL A 14 3.826 12.857 1.684 1.00 0.00 N ATOM 160 CA VAL A 14 3.711 11.731 0.764 1.00 0.00 C ATOM 161 C VAL A 14 2.252 11.440 0.431 1.00 0.00 C ATOM 162 O VAL A 14 1.406 11.359 1.321 1.00 0.00 O ATOM 163 CB VAL A 14 4.357 10.461 1.348 1.00 0.00 C ATOM 164 CG1 VAL A 14 4.156 9.280 0.410 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.836 10.692 1.618 1.00 0.00 C ATOM 0 H VAL A 14 4.129 12.604 2.625 1.00 0.00 H new ATOM 0 HA VAL A 14 4.239 12.012 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 14 3.870 10.229 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.619 8.392 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.089 9.102 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.615 9.499 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.277 9.784 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.340 10.949 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.953 11.508 2.331 1.00 0.00 H new ATOM 175 N VAL A 15 1.965 11.282 -0.857 1.00 0.00 N ATOM 176 CA VAL A 15 0.608 10.998 -1.308 1.00 0.00 C ATOM 177 C VAL A 15 0.539 9.657 -2.031 1.00 0.00 C ATOM 178 O VAL A 15 1.277 9.416 -2.986 1.00 0.00 O ATOM 179 CB VAL A 15 0.086 12.102 -2.247 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.336 11.795 -2.693 1.00 0.00 C ATOM 181 CG2 VAL A 15 0.158 13.459 -1.564 1.00 0.00 C ATOM 0 H VAL A 15 2.654 11.346 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.020 10.961 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 15 0.720 12.132 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.688 12.586 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.354 10.843 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.986 11.737 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.215 14.227 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.452 13.445 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.192 13.679 -1.300 1.00 0.00 H new ATOM 191 N ALA A 16 -0.353 8.787 -1.568 1.00 0.00 N ATOM 192 CA ALA A 16 -0.521 7.471 -2.172 1.00 0.00 C ATOM 193 C ALA A 16 -1.967 7.243 -2.597 1.00 0.00 C ATOM 194 O ALA A 16 -2.898 7.514 -1.838 1.00 0.00 O ATOM 195 CB ALA A 16 -0.076 6.386 -1.203 1.00 0.00 C ATOM 0 H ALA A 16 -0.970 8.970 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 16 0.104 7.425 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.207 5.408 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.975 6.531 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.677 6.440 -0.295 1.00 0.00 H new ATOM 201 N SER A 17 -2.149 6.744 -3.816 1.00 0.00 N ATOM 202 CA SER A 17 -3.483 6.483 -4.344 1.00 0.00 C ATOM 203 C SER A 17 -3.446 5.372 -5.389 1.00 0.00 C ATOM 204 O SER A 17 -2.394 4.797 -5.663 1.00 0.00 O ATOM 205 CB SER A 17 -4.069 7.756 -4.957 1.00 0.00 C ATOM 206 OG SER A 17 -5.467 7.631 -5.154 1.00 0.00 O ATOM 0 H SER A 17 -1.389 6.513 -4.456 1.00 0.00 H new ATOM 0 HA SER A 17 -4.117 6.160 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.865 8.605 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.581 7.962 -5.910 1.00 0.00 H new ATOM 0 HG SER A 17 -5.818 8.458 -5.545 1.00 0.00 H new ATOM 212 N GLY A 18 -4.605 5.075 -5.969 1.00 0.00 N ATOM 213 CA GLY A 18 -4.685 4.034 -6.978 1.00 0.00 C ATOM 214 C GLY A 18 -5.840 3.083 -6.738 1.00 0.00 C ATOM 215 O GLY A 18 -6.518 3.141 -5.712 1.00 0.00 O ATOM 0 H GLY A 18 -5.490 5.536 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.794 4.492 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.751 3.471 -6.990 1.00 0.00 H new ATOM 219 N PRO A 19 -6.079 2.182 -7.703 1.00 0.00 N ATOM 220 CA PRO A 19 -7.162 1.197 -7.616 1.00 0.00 C ATOM 221 C PRO A 19 -6.895 0.135 -6.555 1.00 0.00 C ATOM 222 O PRO A 19 -7.823 -0.388 -5.939 1.00 0.00 O ATOM 223 CB PRO A 19 -7.181 0.567 -9.011 1.00 0.00 C ATOM 224 CG PRO A 19 -5.797 0.755 -9.530 1.00 0.00 C ATOM 225 CD PRO A 19 -5.311 2.055 -8.953 1.00 0.00 C ATOM 0 HA PRO A 19 -8.108 1.655 -7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.447 -0.489 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.915 1.052 -9.655 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.152 -0.071 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.790 0.785 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.238 2.035 -8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.501 2.890 -9.628 1.00 0.00 H new ATOM 233 N GLY A 20 -5.620 -0.179 -6.345 1.00 0.00 N ATOM 234 CA GLY A 20 -5.254 -1.177 -5.358 1.00 0.00 C ATOM 235 C GLY A 20 -5.729 -0.815 -3.964 1.00 0.00 C ATOM 236 O GLY A 20 -6.084 -1.691 -3.174 1.00 0.00 O ATOM 0 H GLY A 20 -4.834 0.241 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.678 -2.139 -5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.170 -1.296 -5.350 1.00 0.00 H new ATOM 240 N LEU A 21 -5.735 0.478 -3.660 1.00 0.00 N ATOM 241 CA LEU A 21 -6.169 0.954 -2.352 1.00 0.00 C ATOM 242 C LEU A 21 -7.691 0.999 -2.265 1.00 0.00 C ATOM 243 O LEU A 21 -8.253 1.327 -1.221 1.00 0.00 O ATOM 244 CB LEU A 21 -5.590 2.343 -2.075 1.00 0.00 C ATOM 245 CG LEU A 21 -4.217 2.376 -1.403 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.448 3.620 -1.821 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.362 2.320 0.111 1.00 0.00 C ATOM 0 H LEU A 21 -5.444 1.215 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.801 0.256 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.523 2.882 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.293 2.889 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.655 1.500 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.473 3.626 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.312 3.618 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.007 4.509 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.375 2.344 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.943 3.176 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.872 1.399 0.394 1.00 0.00 H new ATOM 259 N GLU A 22 -8.351 0.666 -3.370 1.00 0.00 N ATOM 260 CA GLU A 22 -9.809 0.667 -3.417 1.00 0.00 C ATOM 261 C GLU A 22 -10.354 -0.758 -3.437 1.00 0.00 C ATOM 262 O GLU A 22 -11.377 -1.052 -2.818 1.00 0.00 O ATOM 263 CB GLU A 22 -10.301 1.430 -4.649 1.00 0.00 C ATOM 264 CG GLU A 22 -9.670 2.804 -4.806 1.00 0.00 C ATOM 265 CD GLU A 22 -10.550 3.764 -5.582 1.00 0.00 C ATOM 266 OE1 GLU A 22 -10.700 3.574 -6.807 1.00 0.00 O ATOM 267 OE2 GLU A 22 -11.089 4.707 -4.964 1.00 0.00 O ATOM 0 H GLU A 22 -7.900 0.393 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.175 1.165 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.090 0.839 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.384 1.541 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.465 3.221 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.711 2.704 -5.315 1.00 0.00 H new ATOM 274 N HIS A 23 -9.663 -1.639 -4.154 1.00 0.00 N ATOM 275 CA HIS A 23 -10.077 -3.034 -4.256 1.00 0.00 C ATOM 276 C HIS A 23 -8.955 -3.893 -4.830 1.00 0.00 C ATOM 277 O HIS A 23 -7.956 -3.376 -5.327 1.00 0.00 O ATOM 278 CB HIS A 23 -11.326 -3.155 -5.129 1.00 0.00 C ATOM 279 CG HIS A 23 -11.101 -2.755 -6.555 1.00 0.00 C ATOM 280 ND1 HIS A 23 -10.520 -3.589 -7.488 1.00 0.00 N ATOM 281 CD2 HIS A 23 -11.383 -1.603 -7.207 1.00 0.00 C ATOM 282 CE1 HIS A 23 -10.453 -2.966 -8.651 1.00 0.00 C ATOM 283 NE2 HIS A 23 -10.971 -1.759 -8.507 1.00 0.00 N ATOM 0 H HIS A 23 -8.815 -1.412 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.308 -3.393 -3.253 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.681 -4.185 -5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.116 -2.534 -4.706 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.846 -0.724 -6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.044 -3.374 -9.564 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.052 -1.057 -9.243 1.00 0.00 H new ATOM 292 N GLY A 24 -9.127 -5.210 -4.757 1.00 0.00 N ATOM 293 CA GLY A 24 -8.121 -6.119 -5.273 1.00 0.00 C ATOM 294 C GLY A 24 -8.711 -7.439 -5.730 1.00 0.00 C ATOM 295 O GLY A 24 -9.889 -7.713 -5.501 1.00 0.00 O ATOM 0 H GLY A 24 -9.945 -5.663 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.604 -5.647 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.375 -6.306 -4.501 1.00 0.00 H new ATOM 299 N LYS A 25 -7.892 -8.257 -6.381 1.00 0.00 N ATOM 300 CA LYS A 25 -8.338 -9.555 -6.873 1.00 0.00 C ATOM 301 C LYS A 25 -7.234 -10.598 -6.738 1.00 0.00 C ATOM 302 O LYS A 25 -6.075 -10.335 -7.060 1.00 0.00 O ATOM 303 CB LYS A 25 -8.775 -9.446 -8.336 1.00 0.00 C ATOM 304 CG LYS A 25 -9.840 -10.456 -8.730 1.00 0.00 C ATOM 305 CD LYS A 25 -10.075 -10.461 -10.231 1.00 0.00 C ATOM 306 CE LYS A 25 -10.596 -11.808 -10.709 1.00 0.00 C ATOM 307 NZ LYS A 25 -11.091 -11.745 -12.111 1.00 0.00 N ATOM 0 H LYS A 25 -6.915 -8.044 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.188 -9.872 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.154 -8.441 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.904 -9.580 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.537 -11.451 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.772 -10.223 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.790 -9.680 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.144 -10.226 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.802 -12.551 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.402 -12.139 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.437 -12.682 -12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.866 -11.055 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.316 -11.454 -12.740 1.00 0.00 H new ATOM 321 N VAL A 26 -7.600 -11.783 -6.261 1.00 0.00 N ATOM 322 CA VAL A 26 -6.640 -12.867 -6.085 1.00 0.00 C ATOM 323 C VAL A 26 -5.855 -13.118 -7.368 1.00 0.00 C ATOM 324 O VAL A 26 -6.397 -13.621 -8.351 1.00 0.00 O ATOM 325 CB VAL A 26 -7.339 -14.172 -5.660 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.339 -15.317 -5.597 1.00 0.00 C ATOM 327 CG2 VAL A 26 -8.037 -13.990 -4.321 1.00 0.00 C ATOM 0 H VAL A 26 -8.555 -12.017 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.954 -12.558 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.093 -14.420 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.851 -16.231 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.888 -15.461 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.560 -15.081 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.526 -14.922 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.303 -13.718 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.783 -13.200 -4.404 1.00 0.00 H new ATOM 337 N GLY A 27 -4.573 -12.765 -7.349 1.00 0.00 N ATOM 338 CA GLY A 27 -3.733 -12.961 -8.516 1.00 0.00 C ATOM 339 C GLY A 27 -3.468 -11.668 -9.263 1.00 0.00 C ATOM 340 O GLY A 27 -2.444 -11.529 -9.931 1.00 0.00 O ATOM 0 H GLY A 27 -4.102 -12.347 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.784 -13.400 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.210 -13.674 -9.188 1.00 0.00 H new ATOM 344 N GLU A 28 -4.395 -10.721 -9.151 1.00 0.00 N ATOM 345 CA GLU A 28 -4.256 -9.435 -9.824 1.00 0.00 C ATOM 346 C GLU A 28 -3.137 -8.610 -9.195 1.00 0.00 C ATOM 347 O GLU A 28 -2.495 -9.042 -8.238 1.00 0.00 O ATOM 348 CB GLU A 28 -5.573 -8.658 -9.763 1.00 0.00 C ATOM 349 CG GLU A 28 -6.538 -9.009 -10.884 1.00 0.00 C ATOM 350 CD GLU A 28 -6.021 -8.597 -12.249 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.305 -9.402 -12.880 1.00 0.00 O ATOM 352 OE2 GLU A 28 -6.333 -7.470 -12.685 1.00 0.00 O ATOM 0 H GLU A 28 -5.249 -10.820 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.002 -9.625 -10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.056 -8.852 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.358 -7.590 -9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.721 -10.084 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.496 -8.522 -10.700 1.00 0.00 H new ATOM 359 N ALA A 29 -2.910 -7.419 -9.740 1.00 0.00 N ATOM 360 CA ALA A 29 -1.871 -6.532 -9.232 1.00 0.00 C ATOM 361 C ALA A 29 -2.454 -5.187 -8.812 1.00 0.00 C ATOM 362 O ALA A 29 -3.065 -4.486 -9.617 1.00 0.00 O ATOM 363 CB ALA A 29 -0.786 -6.335 -10.281 1.00 0.00 C ATOM 0 H ALA A 29 -3.432 -7.046 -10.533 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.429 -6.998 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.017 -5.670 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.341 -7.298 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.222 -5.895 -11.178 1.00 0.00 H new ATOM 369 N GLY A 30 -2.261 -4.834 -7.545 1.00 0.00 N ATOM 370 CA GLY A 30 -2.775 -3.574 -7.040 1.00 0.00 C ATOM 371 C GLY A 30 -1.914 -2.393 -7.444 1.00 0.00 C ATOM 372 O GLY A 30 -0.840 -2.176 -6.881 1.00 0.00 O ATOM 0 H GLY A 30 -1.758 -5.398 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.789 -3.424 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.837 -3.620 -5.953 1.00 0.00 H new ATOM 376 N LEU A 31 -2.384 -1.629 -8.423 1.00 0.00 N ATOM 377 CA LEU A 31 -1.650 -0.464 -8.904 1.00 0.00 C ATOM 378 C LEU A 31 -1.630 0.640 -7.851 1.00 0.00 C ATOM 379 O LEU A 31 -2.678 1.071 -7.368 1.00 0.00 O ATOM 380 CB LEU A 31 -2.275 0.060 -10.198 1.00 0.00 C ATOM 381 CG LEU A 31 -2.304 -0.917 -11.373 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.109 -0.340 -12.527 1.00 0.00 C ATOM 383 CD2 LEU A 31 -0.889 -1.253 -11.822 1.00 0.00 C ATOM 0 H LEU A 31 -3.270 -1.795 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.623 -0.770 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.298 0.370 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.729 0.952 -10.506 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.787 -1.837 -11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.119 -1.049 -13.354 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.131 -0.151 -12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.655 0.595 -12.856 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.929 -1.950 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.380 -0.341 -12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.344 -1.709 -10.996 1.00 0.00 H new ATOM 395 N LEU A 32 -0.432 1.096 -7.502 1.00 0.00 N ATOM 396 CA LEU A 32 -0.276 2.153 -6.508 1.00 0.00 C ATOM 397 C LEU A 32 0.825 3.126 -6.917 1.00 0.00 C ATOM 398 O LEU A 32 1.933 2.716 -7.262 1.00 0.00 O ATOM 399 CB LEU A 32 0.043 1.549 -5.139 1.00 0.00 C ATOM 400 CG LEU A 32 -0.890 0.436 -4.662 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.416 -0.123 -3.330 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.318 0.949 -4.550 1.00 0.00 C ATOM 0 H LEU A 32 0.445 0.751 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.216 2.702 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.060 1.157 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.029 2.349 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.871 -0.368 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.092 -0.914 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.589 -0.529 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.405 0.672 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.968 0.143 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.354 1.771 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.656 1.300 -5.525 1.00 0.00 H new ATOM 414 N SER A 33 0.512 4.417 -6.873 1.00 0.00 N ATOM 415 CA SER A 33 1.474 5.450 -7.240 1.00 0.00 C ATOM 416 C SER A 33 1.696 6.421 -6.085 1.00 0.00 C ATOM 417 O SER A 33 0.747 6.993 -5.548 1.00 0.00 O ATOM 418 CB SER A 33 0.991 6.211 -8.476 1.00 0.00 C ATOM 419 OG SER A 33 1.359 5.537 -9.667 1.00 0.00 O ATOM 0 H SER A 33 -0.400 4.773 -6.587 1.00 0.00 H new ATOM 0 HA SER A 33 2.422 4.963 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.093 6.322 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.415 7.215 -8.477 1.00 0.00 H new ATOM 0 HG SER A 33 1.037 6.043 -10.442 1.00 0.00 H new ATOM 425 N VAL A 34 2.958 6.603 -5.707 1.00 0.00 N ATOM 426 CA VAL A 34 3.307 7.505 -4.616 1.00 0.00 C ATOM 427 C VAL A 34 3.964 8.776 -5.144 1.00 0.00 C ATOM 428 O VAL A 34 5.027 8.726 -5.762 1.00 0.00 O ATOM 429 CB VAL A 34 4.256 6.829 -3.610 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.603 7.784 -2.478 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.635 5.550 -3.068 1.00 0.00 C ATOM 0 H VAL A 34 3.755 6.137 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 34 2.377 7.763 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 34 5.179 6.567 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.275 7.288 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.092 8.669 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.691 8.080 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.320 5.085 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.697 5.786 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.443 4.862 -3.891 1.00 0.00 H new ATOM 441 N ASP A 35 3.325 9.913 -4.894 1.00 0.00 N ATOM 442 CA ASP A 35 3.848 11.199 -5.342 1.00 0.00 C ATOM 443 C ASP A 35 4.446 11.979 -4.175 1.00 0.00 C ATOM 444 O ASP A 35 3.719 12.553 -3.362 1.00 0.00 O ATOM 445 CB ASP A 35 2.742 12.020 -6.007 1.00 0.00 C ATOM 446 CG ASP A 35 3.290 13.170 -6.828 1.00 0.00 C ATOM 447 OD1 ASP A 35 4.179 13.889 -6.325 1.00 0.00 O ATOM 448 OD2 ASP A 35 2.830 13.352 -7.975 1.00 0.00 O ATOM 0 H ASP A 35 2.444 9.971 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 35 4.636 11.009 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.147 11.370 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.073 12.411 -5.241 1.00 0.00 H new ATOM 453 N CYS A 36 5.771 11.994 -4.097 1.00 0.00 N ATOM 454 CA CYS A 36 6.467 12.701 -3.028 1.00 0.00 C ATOM 455 C CYS A 36 6.830 14.118 -3.461 1.00 0.00 C ATOM 456 O CYS A 36 7.645 14.313 -4.363 1.00 0.00 O ATOM 457 CB CYS A 36 7.729 11.940 -2.621 1.00 0.00 C ATOM 458 SG CYS A 36 9.015 11.910 -3.892 1.00 0.00 S ATOM 0 H CYS A 36 6.386 11.524 -4.762 1.00 0.00 H new ATOM 0 HA CYS A 36 5.797 12.762 -2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.137 12.392 -1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.457 10.915 -2.370 1.00 0.00 H new ATOM 0 HG CYS A 36 8.937 12.989 -4.613 1.00 0.00 H new ATOM 464 N SER A 37 6.219 15.104 -2.812 1.00 0.00 N ATOM 465 CA SER A 37 6.474 16.504 -3.134 1.00 0.00 C ATOM 466 C SER A 37 7.539 17.088 -2.210 1.00 0.00 C ATOM 467 O SER A 37 8.659 17.366 -2.636 1.00 0.00 O ATOM 468 CB SER A 37 5.184 17.318 -3.022 1.00 0.00 C ATOM 469 OG SER A 37 5.328 18.588 -3.633 1.00 0.00 O ATOM 0 H SER A 37 5.544 14.960 -2.061 1.00 0.00 H new ATOM 0 HA SER A 37 6.839 16.555 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.365 16.775 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.920 17.444 -1.972 1.00 0.00 H new ATOM 0 HG SER A 37 4.489 19.088 -3.549 1.00 0.00 H new ATOM 475 N GLU A 38 7.179 17.271 -0.944 1.00 0.00 N ATOM 476 CA GLU A 38 8.102 17.823 0.040 1.00 0.00 C ATOM 477 C GLU A 38 8.353 16.828 1.169 1.00 0.00 C ATOM 478 O GLU A 38 8.698 17.214 2.286 1.00 0.00 O ATOM 479 CB GLU A 38 7.552 19.132 0.612 1.00 0.00 C ATOM 480 CG GLU A 38 7.977 20.364 -0.169 1.00 0.00 C ATOM 481 CD GLU A 38 9.432 20.725 0.059 1.00 0.00 C ATOM 482 OE1 GLU A 38 10.300 20.166 -0.644 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.702 21.569 0.940 1.00 0.00 O ATOM 0 H GLU A 38 6.255 17.045 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 38 9.049 18.024 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.463 19.082 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.884 19.235 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.812 20.191 -1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.348 21.207 0.118 1.00 0.00 H new ATOM 490 N ALA A 39 8.177 15.545 0.870 1.00 0.00 N ATOM 491 CA ALA A 39 8.386 14.494 1.857 1.00 0.00 C ATOM 492 C ALA A 39 9.870 14.305 2.153 1.00 0.00 C ATOM 493 O ALA A 39 10.245 13.514 3.017 1.00 0.00 O ATOM 494 CB ALA A 39 7.771 13.188 1.376 1.00 0.00 C ATOM 0 H ALA A 39 7.890 15.209 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 39 7.894 14.796 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.935 12.412 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.700 13.325 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.237 12.891 0.436 1.00 0.00 H new ATOM 500 N GLY A 40 10.711 15.038 1.429 1.00 0.00 N ATOM 501 CA GLY A 40 12.145 14.935 1.629 1.00 0.00 C ATOM 502 C GLY A 40 12.667 13.535 1.374 1.00 0.00 C ATOM 503 O GLY A 40 12.052 12.740 0.663 1.00 0.00 O ATOM 0 H GLY A 40 10.425 15.701 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.652 15.635 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.388 15.230 2.650 1.00 0.00 H new ATOM 507 N PRO A 41 13.829 13.216 1.962 1.00 0.00 N ATOM 508 CA PRO A 41 14.460 11.902 1.809 1.00 0.00 C ATOM 509 C PRO A 41 13.685 10.800 2.522 1.00 0.00 C ATOM 510 O PRO A 41 12.522 10.979 2.883 1.00 0.00 O ATOM 511 CB PRO A 41 15.836 12.091 2.453 1.00 0.00 C ATOM 512 CG PRO A 41 15.647 13.202 3.428 1.00 0.00 C ATOM 513 CD PRO A 41 14.617 14.115 2.823 1.00 0.00 C ATOM 0 HA PRO A 41 14.502 11.590 0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.169 11.180 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.591 12.342 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.312 12.821 4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.584 13.732 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.998 14.585 3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.079 14.918 2.249 1.00 0.00 H new ATOM 521 N GLY A 42 14.337 9.659 2.723 1.00 0.00 N ATOM 522 CA GLY A 42 13.692 8.544 3.394 1.00 0.00 C ATOM 523 C GLY A 42 13.344 7.418 2.441 1.00 0.00 C ATOM 524 O GLY A 42 12.928 7.660 1.309 1.00 0.00 O ATOM 0 H GLY A 42 15.300 9.486 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.350 8.164 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.784 8.895 3.884 1.00 0.00 H new ATOM 528 N ALA A 43 13.516 6.182 2.901 1.00 0.00 N ATOM 529 CA ALA A 43 13.217 5.014 2.082 1.00 0.00 C ATOM 530 C ALA A 43 11.761 4.589 2.243 1.00 0.00 C ATOM 531 O ALA A 43 11.250 4.498 3.360 1.00 0.00 O ATOM 532 CB ALA A 43 14.147 3.865 2.441 1.00 0.00 C ATOM 0 H ALA A 43 13.861 5.965 3.836 1.00 0.00 H new ATOM 0 HA ALA A 43 13.377 5.283 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.912 3.000 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.180 4.166 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.016 3.605 3.492 1.00 0.00 H new ATOM 538 N LEU A 44 11.098 4.331 1.121 1.00 0.00 N ATOM 539 CA LEU A 44 9.699 3.916 1.138 1.00 0.00 C ATOM 540 C LEU A 44 9.583 2.397 1.220 1.00 0.00 C ATOM 541 O LEU A 44 10.437 1.671 0.713 1.00 0.00 O ATOM 542 CB LEU A 44 8.980 4.427 -0.112 1.00 0.00 C ATOM 543 CG LEU A 44 7.687 3.702 -0.486 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.612 3.955 0.559 1.00 0.00 C ATOM 545 CD2 LEU A 44 7.209 4.139 -1.863 1.00 0.00 C ATOM 0 H LEU A 44 11.506 4.402 0.189 1.00 0.00 H new ATOM 0 HA LEU A 44 9.228 4.346 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.752 5.483 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.668 4.360 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 44 7.889 2.631 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.699 3.431 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.954 3.591 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.412 5.024 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.288 3.613 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.024 5.213 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.973 3.905 -2.605 1.00 0.00 H new ATOM 557 N GLY A 45 8.518 1.924 1.860 1.00 0.00 N ATOM 558 CA GLY A 45 8.309 0.494 1.995 1.00 0.00 C ATOM 559 C GLY A 45 6.883 0.150 2.377 1.00 0.00 C ATOM 560 O GLY A 45 6.336 0.708 3.330 1.00 0.00 O ATOM 0 H GLY A 45 7.797 2.505 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.558 0.003 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.989 0.100 2.750 1.00 0.00 H new ATOM 564 N LEU A 46 6.277 -0.768 1.633 1.00 0.00 N ATOM 565 CA LEU A 46 4.904 -1.184 1.898 1.00 0.00 C ATOM 566 C LEU A 46 4.844 -2.665 2.256 1.00 0.00 C ATOM 567 O LEU A 46 5.588 -3.477 1.708 1.00 0.00 O ATOM 568 CB LEU A 46 4.022 -0.907 0.679 1.00 0.00 C ATOM 569 CG LEU A 46 2.578 -1.402 0.769 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.705 -0.374 1.473 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.032 -1.708 -0.618 1.00 0.00 C ATOM 0 H LEU A 46 6.715 -1.239 0.841 1.00 0.00 H new ATOM 0 HA LEU A 46 4.533 -0.608 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.006 0.169 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.488 -1.365 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 46 2.565 -2.322 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.681 -0.743 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.084 -0.204 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.724 0.562 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.003 -2.059 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.059 -0.804 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.642 -2.480 -1.087 1.00 0.00 H new ATOM 583 N GLU A 47 3.951 -3.010 3.179 1.00 0.00 N ATOM 584 CA GLU A 47 3.793 -4.394 3.610 1.00 0.00 C ATOM 585 C GLU A 47 2.337 -4.836 3.496 1.00 0.00 C ATOM 586 O GLU A 47 1.453 -4.267 4.135 1.00 0.00 O ATOM 587 CB GLU A 47 4.278 -4.562 5.051 1.00 0.00 C ATOM 588 CG GLU A 47 4.836 -5.943 5.349 1.00 0.00 C ATOM 589 CD GLU A 47 3.774 -6.906 5.846 1.00 0.00 C ATOM 590 OE1 GLU A 47 2.689 -6.438 6.248 1.00 0.00 O ATOM 591 OE2 GLU A 47 4.030 -8.128 5.831 1.00 0.00 O ATOM 0 H GLU A 47 3.326 -2.350 3.642 1.00 0.00 H new ATOM 0 HA GLU A 47 4.398 -5.023 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.047 -3.817 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.450 -4.360 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.295 -6.348 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.624 -5.859 6.097 1.00 0.00 H new ATOM 598 N ALA A 48 2.097 -5.856 2.679 1.00 0.00 N ATOM 599 CA ALA A 48 0.750 -6.376 2.482 1.00 0.00 C ATOM 600 C ALA A 48 0.571 -7.718 3.184 1.00 0.00 C ATOM 601 O ALA A 48 1.310 -8.669 2.925 1.00 0.00 O ATOM 602 CB ALA A 48 0.448 -6.512 0.997 1.00 0.00 C ATOM 0 H ALA A 48 2.818 -6.339 2.143 1.00 0.00 H new ATOM 0 HA ALA A 48 0.047 -5.668 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.561 -6.902 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.525 -5.535 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.163 -7.197 0.541 1.00 0.00 H new ATOM 608 N VAL A 49 -0.413 -7.788 4.075 1.00 0.00 N ATOM 609 CA VAL A 49 -0.688 -9.014 4.815 1.00 0.00 C ATOM 610 C VAL A 49 -2.188 -9.256 4.939 1.00 0.00 C ATOM 611 O VAL A 49 -2.937 -8.373 5.358 1.00 0.00 O ATOM 612 CB VAL A 49 -0.068 -8.970 6.224 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.648 -10.073 7.097 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.447 -9.084 6.143 1.00 0.00 C ATOM 0 H VAL A 49 -1.033 -7.010 4.302 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.236 -9.831 4.253 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.313 -8.011 6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.198 -10.026 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.727 -9.941 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.435 -11.043 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.869 -9.051 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.716 -10.027 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.843 -8.256 5.556 1.00 0.00 H new ATOM 624 N SER A 50 -2.621 -10.458 4.573 1.00 0.00 N ATOM 625 CA SER A 50 -4.033 -10.816 4.640 1.00 0.00 C ATOM 626 C SER A 50 -4.401 -11.314 6.034 1.00 0.00 C ATOM 627 O SER A 50 -3.534 -11.710 6.813 1.00 0.00 O ATOM 628 CB SER A 50 -4.359 -11.888 3.599 1.00 0.00 C ATOM 629 OG SER A 50 -4.098 -13.186 4.105 1.00 0.00 O ATOM 0 H SER A 50 -2.014 -11.201 4.227 1.00 0.00 H new ATOM 0 HA SER A 50 -4.620 -9.923 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.407 -11.811 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.766 -11.719 2.700 1.00 0.00 H new ATOM 0 HG SER A 50 -3.695 -13.737 3.401 1.00 0.00 H new ATOM 635 N ASP A 51 -5.694 -11.293 6.340 1.00 0.00 N ATOM 636 CA ASP A 51 -6.179 -11.744 7.639 1.00 0.00 C ATOM 637 C ASP A 51 -5.533 -13.069 8.031 1.00 0.00 C ATOM 638 O ASP A 51 -5.472 -13.417 9.210 1.00 0.00 O ATOM 639 CB ASP A 51 -7.701 -11.891 7.616 1.00 0.00 C ATOM 640 CG ASP A 51 -8.148 -13.164 6.923 1.00 0.00 C ATOM 641 OD1 ASP A 51 -8.236 -14.209 7.601 1.00 0.00 O ATOM 642 OD2 ASP A 51 -8.412 -13.114 5.704 1.00 0.00 O ATOM 0 H ASP A 51 -6.424 -10.969 5.706 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.905 -10.994 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.079 -11.885 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.139 -11.031 7.109 1.00 0.00 H new ATOM 647 N SER A 52 -5.052 -13.804 7.034 1.00 0.00 N ATOM 648 CA SER A 52 -4.415 -15.094 7.273 1.00 0.00 C ATOM 649 C SER A 52 -2.908 -14.930 7.454 1.00 0.00 C ATOM 650 O SER A 52 -2.138 -15.855 7.203 1.00 0.00 O ATOM 651 CB SER A 52 -4.699 -16.051 6.114 1.00 0.00 C ATOM 652 OG SER A 52 -4.398 -17.388 6.471 1.00 0.00 O ATOM 0 H SER A 52 -5.091 -13.528 6.053 1.00 0.00 H new ATOM 0 HA SER A 52 -4.831 -15.512 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.747 -15.976 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.107 -15.761 5.246 1.00 0.00 H new ATOM 0 HG SER A 52 -3.503 -17.427 6.868 1.00 0.00 H new ATOM 658 N GLY A 53 -2.497 -13.744 7.893 1.00 0.00 N ATOM 659 CA GLY A 53 -1.085 -13.479 8.100 1.00 0.00 C ATOM 660 C GLY A 53 -0.223 -14.018 6.976 1.00 0.00 C ATOM 661 O GLY A 53 0.674 -14.831 7.205 1.00 0.00 O ATOM 0 H GLY A 53 -3.116 -12.963 8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.930 -12.404 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.769 -13.926 9.043 1.00 0.00 H new ATOM 665 N THR A 54 -0.494 -13.566 5.756 1.00 0.00 N ATOM 666 CA THR A 54 0.262 -14.010 4.591 1.00 0.00 C ATOM 667 C THR A 54 0.850 -12.825 3.833 1.00 0.00 C ATOM 668 O THR A 54 0.124 -12.053 3.206 1.00 0.00 O ATOM 669 CB THR A 54 -0.617 -14.833 3.632 1.00 0.00 C ATOM 670 OG1 THR A 54 -1.369 -15.805 4.368 1.00 0.00 O ATOM 671 CG2 THR A 54 0.235 -15.532 2.582 1.00 0.00 C ATOM 0 H THR A 54 -1.231 -12.893 5.549 1.00 0.00 H new ATOM 0 HA THR A 54 1.072 -14.639 4.960 1.00 0.00 H new ATOM 0 HB THR A 54 -1.302 -14.151 3.127 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.927 -16.323 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.408 -16.107 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.783 -14.788 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.941 -16.202 3.073 1.00 0.00 H new ATOM 679 N LYS A 55 2.170 -12.686 3.894 1.00 0.00 N ATOM 680 CA LYS A 55 2.857 -11.596 3.211 1.00 0.00 C ATOM 681 C LYS A 55 2.722 -11.730 1.698 1.00 0.00 C ATOM 682 O LYS A 55 3.143 -12.728 1.114 1.00 0.00 O ATOM 683 CB LYS A 55 4.337 -11.575 3.601 1.00 0.00 C ATOM 684 CG LYS A 55 4.570 -11.405 5.093 1.00 0.00 C ATOM 685 CD LYS A 55 5.857 -12.080 5.536 1.00 0.00 C ATOM 686 CE LYS A 55 5.620 -13.530 5.929 1.00 0.00 C ATOM 687 NZ LYS A 55 5.130 -13.652 7.330 1.00 0.00 N ATOM 0 H LYS A 55 2.786 -13.315 4.410 1.00 0.00 H new ATOM 0 HA LYS A 55 2.392 -10.659 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.804 -12.503 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.833 -10.763 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.612 -10.344 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.729 -11.826 5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.589 -12.036 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.281 -11.538 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.893 -13.976 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.547 -14.092 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.981 -14.655 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.834 -13.249 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.232 -13.137 7.430 1.00 0.00 H new ATOM 701 N ALA A 56 2.132 -10.718 1.069 1.00 0.00 N ATOM 702 CA ALA A 56 1.945 -10.723 -0.376 1.00 0.00 C ATOM 703 C ALA A 56 3.167 -10.156 -1.090 1.00 0.00 C ATOM 704 O ALA A 56 3.864 -9.294 -0.556 1.00 0.00 O ATOM 705 CB ALA A 56 0.700 -9.931 -0.749 1.00 0.00 C ATOM 0 H ALA A 56 1.776 -9.885 1.538 1.00 0.00 H new ATOM 0 HA ALA A 56 1.816 -11.757 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.572 -9.943 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.173 -10.381 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.808 -8.901 -0.408 1.00 0.00 H new ATOM 711 N GLU A 57 3.422 -10.648 -2.299 1.00 0.00 N ATOM 712 CA GLU A 57 4.563 -10.190 -3.084 1.00 0.00 C ATOM 713 C GLU A 57 4.435 -8.706 -3.415 1.00 0.00 C ATOM 714 O GLU A 57 3.576 -8.305 -4.200 1.00 0.00 O ATOM 715 CB GLU A 57 4.680 -11.004 -4.375 1.00 0.00 C ATOM 716 CG GLU A 57 6.095 -11.071 -4.924 1.00 0.00 C ATOM 717 CD GLU A 57 6.130 -11.377 -6.409 1.00 0.00 C ATOM 718 OE1 GLU A 57 5.244 -10.883 -7.137 1.00 0.00 O ATOM 719 OE2 GLU A 57 7.044 -12.110 -6.843 1.00 0.00 O ATOM 0 H GLU A 57 2.855 -11.362 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 57 5.464 -10.335 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.322 -12.017 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.026 -10.568 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.597 -10.121 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.654 -11.836 -4.386 1.00 0.00 H new ATOM 726 N VAL A 58 5.296 -7.894 -2.809 1.00 0.00 N ATOM 727 CA VAL A 58 5.281 -6.455 -3.039 1.00 0.00 C ATOM 728 C VAL A 58 6.581 -5.988 -3.683 1.00 0.00 C ATOM 729 O VAL A 58 7.658 -6.501 -3.376 1.00 0.00 O ATOM 730 CB VAL A 58 5.064 -5.679 -1.726 1.00 0.00 C ATOM 731 CG1 VAL A 58 5.161 -4.181 -1.969 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.721 -6.041 -1.110 1.00 0.00 C ATOM 0 H VAL A 58 6.013 -8.209 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 58 4.450 -6.251 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 58 5.849 -5.961 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.005 -3.649 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.148 -3.940 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.399 -3.879 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.584 -5.484 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.921 -5.789 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.694 -7.110 -0.898 1.00 0.00 H new ATOM 742 N SER A 59 6.475 -5.010 -4.578 1.00 0.00 N ATOM 743 CA SER A 59 7.642 -4.475 -5.268 1.00 0.00 C ATOM 744 C SER A 59 7.588 -2.952 -5.327 1.00 0.00 C ATOM 745 O SER A 59 6.510 -2.361 -5.405 1.00 0.00 O ATOM 746 CB SER A 59 7.731 -5.049 -6.684 1.00 0.00 C ATOM 747 OG SER A 59 8.883 -4.570 -7.357 1.00 0.00 O ATOM 0 H SER A 59 5.592 -4.572 -4.842 1.00 0.00 H new ATOM 0 HA SER A 59 8.530 -4.768 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.760 -6.138 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.838 -4.777 -7.247 1.00 0.00 H new ATOM 0 HG SER A 59 8.918 -4.953 -8.259 1.00 0.00 H new ATOM 753 N ILE A 60 8.757 -2.322 -5.289 1.00 0.00 N ATOM 754 CA ILE A 60 8.844 -0.868 -5.339 1.00 0.00 C ATOM 755 C ILE A 60 9.788 -0.411 -6.446 1.00 0.00 C ATOM 756 O ILE A 60 10.953 -0.804 -6.482 1.00 0.00 O ATOM 757 CB ILE A 60 9.325 -0.286 -3.997 1.00 0.00 C ATOM 758 CG1 ILE A 60 8.435 -0.779 -2.854 1.00 0.00 C ATOM 759 CG2 ILE A 60 9.333 1.234 -4.051 1.00 0.00 C ATOM 760 CD1 ILE A 60 9.149 -0.860 -1.523 1.00 0.00 C ATOM 0 H ILE A 60 9.658 -2.796 -5.224 1.00 0.00 H new ATOM 0 HA ILE A 60 7.839 -0.499 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 60 10.343 -0.629 -3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.579 -0.112 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.044 -1.764 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.675 1.630 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.004 1.566 -4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.325 1.596 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.457 -1.217 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.989 -1.550 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.516 0.128 -1.246 1.00 0.00 H new ATOM 772 N GLN A 61 9.276 0.422 -7.346 1.00 0.00 N ATOM 773 CA GLN A 61 10.074 0.934 -8.454 1.00 0.00 C ATOM 774 C GLN A 61 10.063 2.459 -8.475 1.00 0.00 C ATOM 775 O GLN A 61 9.135 3.089 -7.969 1.00 0.00 O ATOM 776 CB GLN A 61 9.548 0.390 -9.783 1.00 0.00 C ATOM 777 CG GLN A 61 10.588 0.382 -10.892 1.00 0.00 C ATOM 778 CD GLN A 61 10.291 -0.648 -11.964 1.00 0.00 C ATOM 779 OE1 GLN A 61 9.237 -0.613 -12.599 1.00 0.00 O ATOM 780 NE2 GLN A 61 11.222 -1.572 -12.171 1.00 0.00 N ATOM 0 H GLN A 61 8.313 0.757 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 61 11.102 0.599 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.183 -0.626 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.696 0.991 -10.100 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.635 1.371 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.570 0.181 -10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.081 -1.563 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.078 -2.291 -12.880 1.00 0.00 H new ATOM 858 N THR A 67 8.253 9.712 -8.644 1.00 0.00 N ATOM 859 CA THR A 67 7.193 8.882 -8.087 1.00 0.00 C ATOM 860 C THR A 67 7.636 7.428 -7.970 1.00 0.00 C ATOM 861 O THR A 67 8.616 7.016 -8.592 1.00 0.00 O ATOM 862 CB THR A 67 5.916 8.950 -8.947 1.00 0.00 C ATOM 863 OG1 THR A 67 6.232 8.671 -10.315 1.00 0.00 O ATOM 864 CG2 THR A 67 5.264 10.320 -8.840 1.00 0.00 C ATOM 0 HA THR A 67 6.975 9.273 -7.093 1.00 0.00 H new ATOM 0 HB THR A 67 5.214 8.202 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.182 8.853 -10.475 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.365 10.344 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.998 10.516 -7.801 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.961 11.083 -9.187 1.00 0.00 H new ATOM 872 N TYR A 68 6.910 6.656 -7.170 1.00 0.00 N ATOM 873 CA TYR A 68 7.230 5.247 -6.971 1.00 0.00 C ATOM 874 C TYR A 68 6.074 4.357 -7.418 1.00 0.00 C ATOM 875 O TYR A 68 4.914 4.623 -7.106 1.00 0.00 O ATOM 876 CB TYR A 68 7.554 4.980 -5.500 1.00 0.00 C ATOM 877 CG TYR A 68 8.766 5.734 -5.001 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.654 7.038 -4.535 1.00 0.00 C ATOM 879 CD2 TYR A 68 10.023 5.141 -4.994 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.759 7.731 -4.078 1.00 0.00 C ATOM 881 CE2 TYR A 68 11.133 5.826 -4.538 1.00 0.00 C ATOM 882 CZ TYR A 68 10.996 7.120 -4.082 1.00 0.00 C ATOM 883 OH TYR A 68 12.098 7.807 -3.626 1.00 0.00 O ATOM 0 H TYR A 68 6.096 6.981 -6.649 1.00 0.00 H new ATOM 0 HA TYR A 68 8.103 5.009 -7.578 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.691 5.252 -4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.718 3.911 -5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.687 7.518 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.134 4.128 -5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.655 8.745 -3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 68 12.103 5.350 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 68 12.891 7.235 -3.694 1.00 0.00 H new ATOM 893 N ALA A 69 6.401 3.298 -8.152 1.00 0.00 N ATOM 894 CA ALA A 69 5.393 2.366 -8.640 1.00 0.00 C ATOM 895 C ALA A 69 5.283 1.149 -7.729 1.00 0.00 C ATOM 896 O ALA A 69 6.026 0.179 -7.880 1.00 0.00 O ATOM 897 CB ALA A 69 5.717 1.936 -10.063 1.00 0.00 C ATOM 0 H ALA A 69 7.357 3.065 -8.421 1.00 0.00 H new ATOM 0 HA ALA A 69 4.430 2.877 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.956 1.240 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.736 2.811 -10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.692 1.448 -10.083 1.00 0.00 H new ATOM 903 N VAL A 70 4.351 1.206 -6.783 1.00 0.00 N ATOM 904 CA VAL A 70 4.144 0.107 -5.847 1.00 0.00 C ATOM 905 C VAL A 70 3.038 -0.825 -6.330 1.00 0.00 C ATOM 906 O VAL A 70 2.008 -0.376 -6.834 1.00 0.00 O ATOM 907 CB VAL A 70 3.785 0.626 -4.442 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.298 -0.513 -3.560 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.980 1.326 -3.812 1.00 0.00 C ATOM 0 H VAL A 70 3.727 2.001 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 70 5.083 -0.444 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 70 2.976 1.351 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.049 -0.127 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.413 -0.966 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.083 -1.264 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.709 1.687 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.810 0.625 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.278 2.169 -4.435 1.00 0.00 H new ATOM 919 N THR A 71 3.257 -2.127 -6.173 1.00 0.00 N ATOM 920 CA THR A 71 2.280 -3.123 -6.593 1.00 0.00 C ATOM 921 C THR A 71 2.257 -4.308 -5.635 1.00 0.00 C ATOM 922 O THR A 71 3.274 -4.651 -5.031 1.00 0.00 O ATOM 923 CB THR A 71 2.575 -3.634 -8.016 1.00 0.00 C ATOM 924 OG1 THR A 71 3.215 -2.607 -8.782 1.00 0.00 O ATOM 925 CG2 THR A 71 1.294 -4.068 -8.711 1.00 0.00 C ATOM 0 H THR A 71 4.103 -2.516 -5.758 1.00 0.00 H new ATOM 0 HA THR A 71 1.306 -2.634 -6.585 1.00 0.00 H new ATOM 0 HB THR A 71 3.238 -4.496 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.401 -2.940 -9.685 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.527 -4.425 -9.714 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.824 -4.869 -8.141 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.611 -3.221 -8.777 1.00 0.00 H new ATOM 933 N TYR A 72 1.091 -4.931 -5.500 1.00 0.00 N ATOM 934 CA TYR A 72 0.935 -6.077 -4.613 1.00 0.00 C ATOM 935 C TYR A 72 0.028 -7.132 -5.240 1.00 0.00 C ATOM 936 O TYR A 72 -1.049 -6.820 -5.746 1.00 0.00 O ATOM 937 CB TYR A 72 0.362 -5.633 -3.266 1.00 0.00 C ATOM 938 CG TYR A 72 -1.127 -5.375 -3.296 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.034 -6.427 -3.312 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.627 -4.079 -3.309 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.396 -6.196 -3.341 1.00 0.00 C ATOM 942 CE2 TYR A 72 -2.987 -3.838 -3.336 1.00 0.00 C ATOM 943 CZ TYR A 72 -3.867 -4.900 -3.352 1.00 0.00 C ATOM 944 OH TYR A 72 -5.223 -4.665 -3.380 1.00 0.00 O ATOM 0 H TYR A 72 0.240 -4.661 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 72 1.920 -6.517 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.574 -6.399 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.873 -4.725 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.668 -7.443 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.941 -3.245 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.088 -7.025 -3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.359 -2.824 -3.345 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.389 -3.701 -3.319 1.00 0.00 H new ATOM 954 N VAL A 73 0.474 -8.384 -5.203 1.00 0.00 N ATOM 955 CA VAL A 73 -0.297 -9.487 -5.765 1.00 0.00 C ATOM 956 C VAL A 73 -0.803 -10.418 -4.670 1.00 0.00 C ATOM 957 O VAL A 73 -0.060 -11.230 -4.119 1.00 0.00 O ATOM 958 CB VAL A 73 0.540 -10.301 -6.770 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.259 -11.482 -7.297 1.00 0.00 C ATOM 960 CG2 VAL A 73 1.012 -9.413 -7.912 1.00 0.00 C ATOM 0 H VAL A 73 1.365 -8.660 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.148 -9.046 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 73 1.419 -10.689 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.348 -12.045 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.542 -12.129 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.157 -11.120 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.602 -10.004 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.148 -8.994 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.625 -8.604 -7.514 1.00 0.00 H new ATOM 970 N PRO A 74 -2.099 -10.301 -4.346 1.00 0.00 N ATOM 971 CA PRO A 74 -2.735 -11.125 -3.314 1.00 0.00 C ATOM 972 C PRO A 74 -2.873 -12.583 -3.741 1.00 0.00 C ATOM 973 O PRO A 74 -3.328 -12.876 -4.847 1.00 0.00 O ATOM 974 CB PRO A 74 -4.115 -10.484 -3.148 1.00 0.00 C ATOM 975 CG PRO A 74 -4.381 -9.815 -4.452 1.00 0.00 C ATOM 976 CD PRO A 74 -3.044 -9.354 -4.962 1.00 0.00 C ATOM 0 HA PRO A 74 -2.149 -11.151 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.875 -11.233 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.123 -9.768 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.850 -10.503 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.062 -8.973 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.995 -9.388 -6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.834 -8.326 -4.666 1.00 0.00 H new ATOM 984 N LEU A 75 -2.479 -13.493 -2.857 1.00 0.00 N ATOM 985 CA LEU A 75 -2.559 -14.921 -3.141 1.00 0.00 C ATOM 986 C LEU A 75 -3.898 -15.493 -2.687 1.00 0.00 C ATOM 987 O LEU A 75 -4.462 -16.375 -3.335 1.00 0.00 O ATOM 988 CB LEU A 75 -1.413 -15.664 -2.451 1.00 0.00 C ATOM 989 CG LEU A 75 0.000 -15.240 -2.853 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.016 -15.740 -1.838 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.336 -15.755 -4.245 1.00 0.00 C ATOM 0 H LEU A 75 -2.101 -13.267 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.474 -15.057 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.518 -15.532 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.523 -16.729 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 75 0.041 -14.151 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.016 -15.429 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.787 -15.322 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.974 -16.828 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.345 -15.444 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.277 -16.843 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.374 -15.347 -4.965 1.00 0.00 H new ATOM 1003 N THR A 76 -4.404 -14.983 -1.568 1.00 0.00 N ATOM 1004 CA THR A 76 -5.677 -15.442 -1.026 1.00 0.00 C ATOM 1005 C THR A 76 -6.658 -14.285 -0.874 1.00 0.00 C ATOM 1006 O THR A 76 -6.329 -13.252 -0.292 1.00 0.00 O ATOM 1007 CB THR A 76 -5.492 -16.127 0.341 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.745 -16.640 0.806 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.927 -15.151 1.363 1.00 0.00 C ATOM 0 H THR A 76 -3.951 -14.252 -1.020 1.00 0.00 H new ATOM 0 HA THR A 76 -6.080 -16.166 -1.734 1.00 0.00 H new ATOM 0 HB THR A 76 -4.787 -16.949 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.618 -17.075 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.805 -15.657 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.959 -14.785 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.612 -14.311 1.481 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.865 -14.466 -1.400 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.895 -13.438 -1.320 1.00 0.00 C ATOM 1019 C ALA A 77 -9.297 -13.175 0.128 1.00 0.00 C ATOM 1020 O ALA A 77 -9.239 -14.070 0.971 1.00 0.00 O ATOM 1021 CB ALA A 77 -10.110 -13.843 -2.141 1.00 0.00 C ATOM 0 H ALA A 77 -8.153 -15.315 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.484 -12.515 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.871 -13.066 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.818 -13.973 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.513 -14.780 -1.757 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.704 -11.941 0.410 1.00 0.00 N ATOM 1028 CA GLY A 78 -10.108 -11.583 1.756 1.00 0.00 C ATOM 1029 C GLY A 78 -9.658 -10.189 2.145 1.00 0.00 C ATOM 1030 O GLY A 78 -9.134 -9.445 1.317 1.00 0.00 O ATOM 0 H GLY A 78 -9.761 -11.183 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.193 -11.646 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.694 -12.305 2.460 1.00 0.00 H new ATOM 1034 N MET A 79 -9.863 -9.834 3.410 1.00 0.00 N ATOM 1035 CA MET A 79 -9.474 -8.519 3.906 1.00 0.00 C ATOM 1036 C MET A 79 -7.959 -8.420 4.055 1.00 0.00 C ATOM 1037 O MET A 79 -7.342 -9.216 4.762 1.00 0.00 O ATOM 1038 CB MET A 79 -10.150 -8.237 5.250 1.00 0.00 C ATOM 1039 CG MET A 79 -11.495 -7.542 5.119 1.00 0.00 C ATOM 1040 SD MET A 79 -11.354 -5.744 5.158 1.00 0.00 S ATOM 1041 CE MET A 79 -10.512 -5.437 3.608 1.00 0.00 C ATOM 0 H MET A 79 -10.296 -10.438 4.109 1.00 0.00 H new ATOM 0 HA MET A 79 -9.799 -7.774 3.180 1.00 0.00 H new ATOM 0 HB2 MET A 79 -10.287 -9.178 5.783 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.489 -7.619 5.858 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.967 -7.845 4.185 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.149 -7.869 5.927 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.662 -4.399 3.312 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.446 -5.630 3.729 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.915 -6.095 2.838 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.366 -7.439 3.384 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.923 -7.238 3.440 1.00 0.00 C ATOM 1053 C TYR A 80 -5.577 -5.996 4.256 1.00 0.00 C ATOM 1054 O TYR A 80 -6.374 -5.063 4.358 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.350 -7.110 2.027 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.935 -8.431 1.420 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -5.840 -9.205 0.706 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -3.636 -8.904 1.560 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -5.465 -10.413 0.150 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -3.251 -10.110 1.007 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.170 -10.861 0.303 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.792 -12.063 -0.250 1.00 0.00 O ATOM 0 H TYR A 80 -7.862 -6.770 2.795 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.479 -8.106 3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.095 -6.642 1.383 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.487 -6.445 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.855 -8.857 0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.915 -8.319 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.182 -11.003 -0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.237 -10.463 1.125 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.580 -12.634 -0.361 1.00 0.00 H new ATOM 1072 N THR A 81 -4.380 -5.991 4.835 1.00 0.00 N ATOM 1073 CA THR A 81 -3.927 -4.866 5.643 1.00 0.00 C ATOM 1074 C THR A 81 -2.657 -4.251 5.065 1.00 0.00 C ATOM 1075 O THR A 81 -1.563 -4.794 5.227 1.00 0.00 O ATOM 1076 CB THR A 81 -3.661 -5.291 7.099 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.831 -5.904 7.652 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.261 -4.094 7.948 1.00 0.00 C ATOM 0 H THR A 81 -3.707 -6.754 4.759 1.00 0.00 H new ATOM 0 HA THR A 81 -4.726 -4.125 5.629 1.00 0.00 H new ATOM 0 HB THR A 81 -2.840 -6.008 7.100 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.653 -6.173 8.577 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.078 -4.419 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.354 -3.647 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.064 -3.357 7.939 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.809 -3.117 4.391 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.673 -2.427 3.789 1.00 0.00 C ATOM 1088 C LEU A 82 -0.919 -1.607 4.832 1.00 0.00 C ATOM 1089 O LEU A 82 -1.525 -0.923 5.657 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.147 -1.517 2.654 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.119 -2.143 1.654 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -3.943 -1.066 0.965 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.365 -2.978 0.629 1.00 0.00 C ATOM 0 H LEU A 82 -3.707 -2.655 4.247 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.995 -3.179 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.623 -0.640 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.272 -1.165 2.108 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.799 -2.799 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.629 -1.530 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.512 -0.510 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.279 -0.384 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.073 -3.416 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.662 -2.344 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.820 -3.773 1.138 1.00 0.00 H new ATOM 1105 N THR A 83 0.408 -1.680 4.788 1.00 0.00 N ATOM 1106 CA THR A 83 1.245 -0.945 5.727 1.00 0.00 C ATOM 1107 C THR A 83 2.386 -0.235 5.007 1.00 0.00 C ATOM 1108 O THR A 83 3.382 -0.856 4.638 1.00 0.00 O ATOM 1109 CB THR A 83 1.834 -1.877 6.803 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.794 -2.668 7.388 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.539 -1.075 7.887 1.00 0.00 C ATOM 0 H THR A 83 0.926 -2.241 4.112 1.00 0.00 H new ATOM 0 HA THR A 83 0.606 -0.205 6.208 1.00 0.00 H new ATOM 0 HB THR A 83 2.563 -2.532 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.177 -3.259 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.947 -1.755 8.635 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.349 -0.496 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.827 -0.399 8.360 1.00 0.00 H new ATOM 1119 N MET A 84 2.233 1.071 4.811 1.00 0.00 N ATOM 1120 CA MET A 84 3.252 1.866 4.137 1.00 0.00 C ATOM 1121 C MET A 84 3.943 2.810 5.117 1.00 0.00 C ATOM 1122 O MET A 84 3.291 3.610 5.787 1.00 0.00 O ATOM 1123 CB MET A 84 2.630 2.668 2.992 1.00 0.00 C ATOM 1124 CG MET A 84 3.655 3.291 2.058 1.00 0.00 C ATOM 1125 SD MET A 84 2.895 4.207 0.704 1.00 0.00 S ATOM 1126 CE MET A 84 2.716 2.914 -0.522 1.00 0.00 C ATOM 0 H MET A 84 1.414 1.600 5.109 1.00 0.00 H new ATOM 0 HA MET A 84 3.998 1.183 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.975 2.014 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.005 3.457 3.410 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.300 3.960 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.292 2.507 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.318 3.157 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.051 1.966 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.669 2.832 -0.814 1.00 0.00 H new ATOM 1136 N LYS A 85 5.265 2.710 5.195 1.00 0.00 N ATOM 1137 CA LYS A 85 6.045 3.555 6.092 1.00 0.00 C ATOM 1138 C LYS A 85 7.125 4.312 5.325 1.00 0.00 C ATOM 1139 O LYS A 85 7.994 3.706 4.698 1.00 0.00 O ATOM 1140 CB LYS A 85 6.685 2.708 7.195 1.00 0.00 C ATOM 1141 CG LYS A 85 5.822 2.572 8.436 1.00 0.00 C ATOM 1142 CD LYS A 85 6.666 2.380 9.685 1.00 0.00 C ATOM 1143 CE LYS A 85 6.926 0.907 9.960 1.00 0.00 C ATOM 1144 NZ LYS A 85 7.919 0.332 9.012 1.00 0.00 N ATOM 0 H LYS A 85 5.820 2.052 4.648 1.00 0.00 H new ATOM 0 HA LYS A 85 5.370 4.281 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.898 1.715 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.640 3.152 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.202 3.461 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.146 1.725 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.615 2.903 9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.159 2.827 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.287 0.787 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.990 0.353 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.346 -0.519 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.444 0.079 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.662 1.034 8.820 1.00 0.00 H new ATOM 1158 N TYR A 86 7.064 5.637 5.381 1.00 0.00 N ATOM 1159 CA TYR A 86 8.036 6.477 4.691 1.00 0.00 C ATOM 1160 C TYR A 86 9.028 7.086 5.678 1.00 0.00 C ATOM 1161 O TYR A 86 8.683 7.978 6.451 1.00 0.00 O ATOM 1162 CB TYR A 86 7.324 7.586 3.916 1.00 0.00 C ATOM 1163 CG TYR A 86 8.139 8.144 2.771 1.00 0.00 C ATOM 1164 CD1 TYR A 86 9.007 9.211 2.965 1.00 0.00 C ATOM 1165 CD2 TYR A 86 8.041 7.604 1.494 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.753 9.724 1.922 1.00 0.00 C ATOM 1167 CE2 TYR A 86 8.784 8.109 0.445 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.639 9.170 0.664 1.00 0.00 C ATOM 1169 OH TYR A 86 10.380 9.677 -0.378 1.00 0.00 O ATOM 0 H TYR A 86 6.352 6.153 5.897 1.00 0.00 H new ATOM 0 HA TYR A 86 8.587 5.850 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.383 7.199 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.075 8.395 4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.100 9.647 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.372 6.775 1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.422 10.555 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.696 7.676 -0.541 1.00 0.00 H new ATOM 0 HH TYR A 86 10.183 9.173 -1.195 1.00 0.00 H new ATOM 1179 N GLY A 87 10.264 6.596 5.644 1.00 0.00 N ATOM 1180 CA GLY A 87 11.287 7.103 6.539 1.00 0.00 C ATOM 1181 C GLY A 87 11.039 6.716 7.983 1.00 0.00 C ATOM 1182 O GLY A 87 11.345 7.477 8.899 1.00 0.00 O ATOM 0 H GLY A 87 10.574 5.857 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.260 6.723 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.329 8.189 6.459 1.00 0.00 H new ATOM 1186 N GLY A 88 10.481 5.526 8.187 1.00 0.00 N ATOM 1187 CA GLY A 88 10.199 5.060 9.532 1.00 0.00 C ATOM 1188 C GLY A 88 8.925 5.656 10.097 1.00 0.00 C ATOM 1189 O GLY A 88 8.545 5.362 11.230 1.00 0.00 O ATOM 0 H GLY A 88 10.219 4.877 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.117 3.973 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.035 5.313 10.184 1.00 0.00 H new ATOM 1193 N GLU A 89 8.264 6.496 9.306 1.00 0.00 N ATOM 1194 CA GLU A 89 7.027 7.136 9.736 1.00 0.00 C ATOM 1195 C GLU A 89 5.861 6.721 8.844 1.00 0.00 C ATOM 1196 O GLU A 89 5.956 6.769 7.616 1.00 0.00 O ATOM 1197 CB GLU A 89 7.181 8.658 9.718 1.00 0.00 C ATOM 1198 CG GLU A 89 8.387 9.157 10.495 1.00 0.00 C ATOM 1199 CD GLU A 89 8.170 10.536 11.088 1.00 0.00 C ATOM 1200 OE1 GLU A 89 6.998 10.937 11.245 1.00 0.00 O ATOM 1201 OE2 GLU A 89 9.174 11.214 11.394 1.00 0.00 O ATOM 0 H GLU A 89 8.565 6.749 8.365 1.00 0.00 H new ATOM 0 HA GLU A 89 6.816 6.812 10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.261 8.994 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.280 9.111 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.615 8.453 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.254 9.182 9.835 1.00 0.00 H new ATOM 1208 N LEU A 90 4.762 6.313 9.468 1.00 0.00 N ATOM 1209 CA LEU A 90 3.576 5.889 8.731 1.00 0.00 C ATOM 1210 C LEU A 90 2.988 7.047 7.932 1.00 0.00 C ATOM 1211 O LEU A 90 3.079 8.205 8.339 1.00 0.00 O ATOM 1212 CB LEU A 90 2.525 5.333 9.694 1.00 0.00 C ATOM 1213 CG LEU A 90 2.592 3.830 9.965 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.607 3.440 11.057 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.316 3.045 8.691 1.00 0.00 C ATOM 0 H LEU A 90 4.667 6.267 10.482 1.00 0.00 H new ATOM 0 HA LEU A 90 3.873 5.105 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.618 5.858 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.537 5.567 9.297 1.00 0.00 H new ATOM 0 HG LEU A 90 3.598 3.587 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.669 2.367 11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.850 3.976 11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.595 3.698 10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.368 1.977 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.322 3.293 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.060 3.302 7.937 1.00 0.00 H new ATOM 1227 N VAL A 91 2.383 6.726 6.793 1.00 0.00 N ATOM 1228 CA VAL A 91 1.776 7.739 5.937 1.00 0.00 C ATOM 1229 C VAL A 91 0.296 7.913 6.256 1.00 0.00 C ATOM 1230 O VAL A 91 -0.343 7.043 6.849 1.00 0.00 O ATOM 1231 CB VAL A 91 1.931 7.382 4.447 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.209 7.984 3.883 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.914 5.873 4.257 1.00 0.00 C ATOM 0 H VAL A 91 2.300 5.772 6.441 1.00 0.00 H new ATOM 0 HA VAL A 91 2.299 8.675 6.134 1.00 0.00 H new ATOM 0 HB VAL A 91 1.088 7.804 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.301 7.721 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.176 9.069 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.067 7.594 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.025 5.638 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.737 5.427 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.968 5.471 4.621 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.265 9.063 5.854 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.678 9.378 6.084 1.00 0.00 C ATOM 1245 C PRO A 92 -2.610 8.515 5.241 1.00 0.00 C ATOM 1246 O PRO A 92 -3.827 8.703 5.251 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.787 10.847 5.668 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.679 11.047 4.692 1.00 0.00 C ATOM 1249 CD PRO A 92 0.437 10.144 5.142 1.00 0.00 C ATOM 0 HA PRO A 92 -1.974 9.190 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.756 11.060 5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.683 11.510 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.000 10.797 3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.356 12.088 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.011 9.763 4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.138 10.666 5.794 1.00 0.00 H new ATOM 1257 N HIS A 93 -2.031 7.566 4.511 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.811 6.673 3.661 1.00 0.00 C ATOM 1259 C HIS A 93 -2.634 5.220 4.095 1.00 0.00 C ATOM 1260 O HIS A 93 -2.980 4.296 3.359 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.396 6.834 2.199 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.359 8.260 1.741 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -3.317 8.810 0.916 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -1.473 9.250 1.998 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -3.021 10.077 0.685 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -1.906 10.368 1.330 1.00 0.00 N ATOM 0 H HIS A 93 -1.025 7.396 4.491 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.863 6.940 3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.410 6.390 2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.089 6.276 1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.589 9.174 2.614 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.593 10.758 0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.442 11.276 1.331 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.094 5.027 5.294 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.870 3.687 5.824 1.00 0.00 C ATOM 1277 C PHE A 94 -1.852 3.703 7.350 1.00 0.00 C ATOM 1278 O PHE A 94 -1.516 4.705 7.982 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.553 3.119 5.293 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.523 2.973 3.798 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.363 4.082 2.984 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.654 1.726 3.208 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.336 3.950 1.608 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.627 1.588 1.833 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.467 2.702 1.032 1.00 0.00 C ATOM 0 H PHE A 94 -1.804 5.781 5.917 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.691 3.050 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.265 3.769 5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.377 2.145 5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.258 5.061 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.779 0.852 3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.212 4.823 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.731 0.611 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.444 2.597 -0.043 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.222 2.566 7.957 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.624 1.367 7.215 1.00 0.00 C ATOM 1297 C PRO A 95 -3.966 1.543 6.512 1.00 0.00 C ATOM 1298 O PRO A 95 -4.793 2.354 6.927 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.727 0.295 8.303 1.00 0.00 C ATOM 1300 CG PRO A 95 -3.000 1.052 9.557 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.277 2.363 9.415 1.00 0.00 C ATOM 0 HA PRO A 95 -1.918 1.123 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.527 -0.413 8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.804 -0.280 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.070 1.209 9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.645 0.503 10.429 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.811 3.172 9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.280 2.321 9.853 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.175 0.778 5.446 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.417 0.848 4.687 1.00 0.00 C ATOM 1311 C ALA A 96 -5.917 -0.545 4.322 1.00 0.00 C ATOM 1312 O ALA A 96 -5.187 -1.343 3.734 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.222 1.687 3.432 1.00 0.00 C ATOM 0 H ALA A 96 -3.500 0.102 5.088 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.171 1.323 5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.158 1.731 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.919 2.696 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.449 1.236 2.809 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.166 -0.832 4.675 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.762 -2.131 4.386 1.00 0.00 C ATOM 1321 C ARG A 97 -8.479 -2.112 3.039 1.00 0.00 C ATOM 1322 O ARG A 97 -9.137 -1.133 2.688 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.743 -2.523 5.493 1.00 0.00 C ATOM 1324 CG ARG A 97 -9.920 -1.571 5.628 1.00 0.00 C ATOM 1325 CD ARG A 97 -11.098 -2.016 4.775 1.00 0.00 C ATOM 1326 NE ARG A 97 -12.373 -1.566 5.324 1.00 0.00 N ATOM 1327 CZ ARG A 97 -12.827 -0.323 5.205 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -12.113 0.588 4.558 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -13.998 0.011 5.732 1.00 0.00 N ATOM 0 H ARG A 97 -7.784 -0.183 5.161 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.961 -2.869 4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.119 -3.527 5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.209 -2.564 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.226 -1.515 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.614 -0.568 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.981 -1.626 3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.100 -3.103 4.699 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.947 -2.243 5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.213 0.335 4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.464 1.542 4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.551 -0.687 6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.345 0.966 5.640 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.347 -3.201 2.289 1.00 0.00 N ATOM 1344 CA VAL A 98 -8.982 -3.311 0.981 1.00 0.00 C ATOM 1345 C VAL A 98 -9.545 -4.710 0.759 1.00 0.00 C ATOM 1346 O VAL A 98 -8.855 -5.709 0.963 1.00 0.00 O ATOM 1347 CB VAL A 98 -7.992 -2.982 -0.153 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.668 -3.119 -1.508 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.422 -1.583 0.028 1.00 0.00 C ATOM 0 H VAL A 98 -7.806 -4.020 2.565 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.797 -2.588 0.963 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.168 -3.694 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.954 -2.883 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.024 -4.141 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.512 -2.431 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.725 -1.367 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.233 -0.855 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.899 -1.524 0.983 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.804 -4.775 0.338 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.461 -6.052 0.086 1.00 0.00 C ATOM 1361 C LYS A 99 -11.015 -6.639 -1.249 1.00 0.00 C ATOM 1362 O LYS A 99 -11.085 -5.977 -2.285 1.00 0.00 O ATOM 1363 CB LYS A 99 -12.982 -5.876 0.095 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.743 -7.154 -0.210 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.197 -7.053 0.218 1.00 0.00 C ATOM 1366 CE LYS A 99 -16.038 -6.335 -0.827 1.00 0.00 C ATOM 1367 NZ LYS A 99 -16.047 -4.861 -0.614 1.00 0.00 N ATOM 0 H LYS A 99 -11.390 -3.958 0.164 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.176 -6.742 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.291 -5.503 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.256 -5.116 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.691 -7.363 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.269 -7.992 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.598 -8.053 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.262 -6.521 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.649 -6.556 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -17.060 -6.713 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.016 -4.500 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.708 -4.647 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.424 -4.406 -1.311 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.556 -7.887 -1.218 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.100 -8.564 -2.426 1.00 0.00 C ATOM 1383 C VAL A 100 -11.024 -9.721 -2.789 1.00 0.00 C ATOM 1384 O VAL A 100 -11.230 -10.637 -1.993 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.665 -9.100 -2.261 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.304 -10.022 -3.415 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.676 -7.949 -2.159 1.00 0.00 C ATOM 0 H VAL A 100 -10.490 -8.449 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.114 -7.826 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.614 -9.676 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.287 -10.391 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.996 -10.864 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.370 -9.473 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.667 -8.345 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.726 -7.345 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.925 -7.331 -1.296 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.578 -9.672 -3.996 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.481 -10.717 -4.464 1.00 0.00 C ATOM 1399 C GLU A 101 -11.700 -11.891 -5.047 1.00 0.00 C ATOM 1400 O GLU A 101 -10.550 -11.757 -5.466 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.443 -10.158 -5.515 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.692 -9.527 -4.922 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.747 -9.227 -5.970 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.055 -10.130 -6.775 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -16.263 -8.090 -5.984 1.00 0.00 O ATOM 0 H GLU A 101 -11.418 -8.921 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.055 -11.074 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.920 -9.413 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.737 -10.962 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.111 -10.196 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.420 -8.604 -4.410 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.337 -13.070 -5.076 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.722 -14.291 -5.605 1.00 0.00 C ATOM 1414 C PRO A 102 -11.543 -14.240 -7.118 1.00 0.00 C ATOM 1415 O PRO A 102 -12.291 -13.560 -7.819 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.719 -15.387 -5.221 1.00 0.00 C ATOM 1417 CG PRO A 102 -14.027 -14.684 -5.100 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.709 -13.304 -4.594 1.00 0.00 C ATOM 0 HA PRO A 102 -10.720 -14.449 -5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.759 -16.169 -5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.439 -15.866 -4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.537 -14.639 -6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.690 -15.209 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.405 -12.562 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.767 -13.252 -3.507 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.546 -14.965 -7.616 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.270 -15.004 -9.047 1.00 0.00 C ATOM 1428 C ALA A 103 -11.145 -16.040 -9.746 1.00 0.00 C ATOM 1429 O ALA A 103 -10.687 -16.754 -10.638 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.799 -15.301 -9.293 1.00 0.00 C ATOM 0 H ALA A 103 -9.916 -15.533 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.506 -14.025 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.608 -15.327 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.189 -14.523 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.545 -16.266 -8.855 1.00 0.00 H new