USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 68 ASN : amide:sc= 0.975 K(o=2.2,f=-4!) USER MOD Set 1.2: A 71 THR OG1 : rot 58:sc= 1.2 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 165:sc= 0.992 (180deg=0.781) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= -0.554 USER MOD Set 3.1: A 37 CYS SG : rot 177:sc= 0.37 USER MOD Set 3.2: A 40 CYS SG : rot 96:sc= 0.232 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -172:sc= 0.94 (180deg=0) USER MOD Set 4.2: A 67 THR OG1 : rot -45:sc= 1.69 USER MOD Single : A 9 THR OG1 : rot -19:sc= 0.192 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 71:sc= 1.06 USER MOD Single : A 24 SER OG : rot 128:sc= 1.2 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 35 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.04 (180deg=1.03) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 1.75 (180deg=1.44) USER MOD Single : A 74 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 105:sc= 1.29 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.18) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.08) USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= 2.44 (180deg=2.1) USER MOD Single : A 109 SER OG : rot 93:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 2.774 0.104 10.224 1.00 0.00 N ATOM 115 CA THR A 9 1.820 -0.677 9.416 1.00 0.00 C ATOM 116 C THR A 9 0.397 -0.674 9.984 1.00 0.00 C ATOM 117 O THR A 9 0.194 -0.725 11.200 1.00 0.00 O ATOM 118 CB THR A 9 2.280 -2.130 9.199 1.00 0.00 C ATOM 119 OG1 THR A 9 2.737 -2.702 10.404 1.00 0.00 O ATOM 120 CG2 THR A 9 3.418 -2.221 8.186 1.00 0.00 C ATOM 0 HA THR A 9 1.799 -0.167 8.453 1.00 0.00 H new ATOM 0 HB THR A 9 1.410 -2.670 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.951 -1.991 11.043 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.713 -3.263 8.062 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.085 -1.822 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.270 -1.643 8.543 1.00 0.00 H new ATOM 128 N ILE A 10 -0.596 -0.664 9.087 1.00 0.00 N ATOM 129 CA ILE A 10 -2.041 -0.775 9.375 1.00 0.00 C ATOM 130 C ILE A 10 -2.759 -1.621 8.310 1.00 0.00 C ATOM 131 O ILE A 10 -2.278 -1.755 7.182 1.00 0.00 O ATOM 132 CB ILE A 10 -2.715 0.620 9.502 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.586 1.466 8.213 1.00 0.00 C ATOM 134 CG2 ILE A 10 -2.183 1.384 10.728 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.386 2.774 8.232 1.00 0.00 C ATOM 0 H ILE A 10 -0.410 -0.574 8.088 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.134 -1.279 10.337 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.780 0.440 9.648 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.534 1.700 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.914 0.866 7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.672 2.356 10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.393 0.812 11.632 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.107 1.525 10.630 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.239 3.304 7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.445 2.551 8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.043 3.398 9.057 1.00 0.00 H new ATOM 147 N LYS A 11 -3.941 -2.153 8.638 1.00 0.00 N ATOM 148 CA LYS A 11 -4.905 -2.669 7.652 1.00 0.00 C ATOM 149 C LYS A 11 -6.008 -1.636 7.399 1.00 0.00 C ATOM 150 O LYS A 11 -6.472 -0.996 8.345 1.00 0.00 O ATOM 151 CB LYS A 11 -5.452 -4.032 8.111 1.00 0.00 C ATOM 152 CG LYS A 11 -6.249 -4.713 6.989 1.00 0.00 C ATOM 153 CD LYS A 11 -6.738 -6.105 7.392 1.00 0.00 C ATOM 154 CE LYS A 11 -7.467 -6.719 6.189 1.00 0.00 C ATOM 155 NZ LYS A 11 -7.956 -8.092 6.466 1.00 0.00 N ATOM 0 H LYS A 11 -4.261 -2.240 9.603 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.405 -2.834 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.626 -4.675 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.090 -3.896 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.104 -4.092 6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.625 -4.792 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.898 -6.733 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.407 -6.040 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.310 -6.084 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.794 -6.742 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.319 -8.515 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.174 -8.672 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.718 -8.053 7.173 1.00 0.00 H new ATOM 169 N VAL A 12 -6.436 -1.480 6.145 1.00 0.00 N ATOM 170 CA VAL A 12 -7.514 -0.554 5.738 1.00 0.00 C ATOM 171 C VAL A 12 -8.556 -1.254 4.864 1.00 0.00 C ATOM 172 O VAL A 12 -8.215 -2.136 4.078 1.00 0.00 O ATOM 173 CB VAL A 12 -6.966 0.707 5.032 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.080 1.516 5.985 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.172 0.405 3.753 1.00 0.00 C ATOM 0 H VAL A 12 -6.040 -2.001 5.362 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.004 -0.227 6.655 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.845 1.282 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.704 2.400 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.664 1.823 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.241 0.902 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.820 1.339 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.318 -0.227 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.814 -0.112 3.040 1.00 0.00 H new ATOM 185 N THR A 13 -9.824 -0.855 4.991 1.00 0.00 N ATOM 186 CA THR A 13 -10.962 -1.358 4.197 1.00 0.00 C ATOM 187 C THR A 13 -11.924 -0.226 3.828 1.00 0.00 C ATOM 188 O THR A 13 -11.949 0.820 4.478 1.00 0.00 O ATOM 189 CB THR A 13 -11.743 -2.470 4.923 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.218 -2.014 6.173 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.909 -3.729 5.165 1.00 0.00 C ATOM 0 H THR A 13 -10.103 -0.148 5.672 1.00 0.00 H new ATOM 0 HA THR A 13 -10.532 -1.782 3.290 1.00 0.00 H new ATOM 0 HB THR A 13 -12.571 -2.726 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.713 -2.734 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.516 -4.474 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.573 -4.132 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.043 -3.480 5.778 1.00 0.00 H new ATOM 199 N ASP A 14 -12.739 -0.429 2.791 1.00 0.00 N ATOM 200 CA ASP A 14 -13.646 0.556 2.182 1.00 0.00 C ATOM 201 C ASP A 14 -14.584 1.277 3.178 1.00 0.00 C ATOM 202 O ASP A 14 -14.937 2.439 2.964 1.00 0.00 O ATOM 203 CB ASP A 14 -14.447 -0.170 1.087 1.00 0.00 C ATOM 204 CG ASP A 14 -15.399 0.778 0.339 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.909 1.641 -0.428 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.635 0.650 0.508 1.00 0.00 O ATOM 0 H ASP A 14 -12.789 -1.335 2.325 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.038 1.361 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.757 -0.625 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.022 -0.980 1.536 1.00 0.00 H new ATOM 211 N ALA A 15 -14.934 0.636 4.299 1.00 0.00 N ATOM 212 CA ALA A 15 -15.758 1.218 5.364 1.00 0.00 C ATOM 213 C ALA A 15 -15.084 2.381 6.136 1.00 0.00 C ATOM 214 O ALA A 15 -15.789 3.205 6.729 1.00 0.00 O ATOM 215 CB ALA A 15 -16.156 0.082 6.314 1.00 0.00 C ATOM 0 H ALA A 15 -14.646 -0.323 4.495 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.631 1.677 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.771 0.481 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.721 -0.671 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.259 -0.373 6.733 1.00 0.00 H new ATOM 221 N SER A 16 -13.746 2.470 6.120 1.00 0.00 N ATOM 222 CA SER A 16 -12.939 3.455 6.869 1.00 0.00 C ATOM 223 C SER A 16 -11.794 4.067 6.043 1.00 0.00 C ATOM 224 O SER A 16 -11.044 4.903 6.548 1.00 0.00 O ATOM 225 CB SER A 16 -12.360 2.807 8.137 1.00 0.00 C ATOM 226 OG SER A 16 -13.389 2.305 8.981 1.00 0.00 O ATOM 0 H SER A 16 -13.171 1.836 5.565 1.00 0.00 H new ATOM 0 HA SER A 16 -13.616 4.269 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.688 1.995 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.765 3.540 8.683 1.00 0.00 H new ATOM 0 HG SER A 16 -12.989 1.898 9.778 1.00 0.00 H new ATOM 232 N PHE A 17 -11.657 3.684 4.767 1.00 0.00 N ATOM 233 CA PHE A 17 -10.522 4.012 3.897 1.00 0.00 C ATOM 234 C PHE A 17 -10.276 5.520 3.800 1.00 0.00 C ATOM 235 O PHE A 17 -9.138 5.972 3.907 1.00 0.00 O ATOM 236 CB PHE A 17 -10.795 3.420 2.505 1.00 0.00 C ATOM 237 CG PHE A 17 -9.605 3.422 1.567 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.237 4.593 0.876 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.883 2.231 1.359 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.148 4.574 -0.013 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.814 2.206 0.448 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.446 3.378 -0.235 1.00 0.00 C ATOM 0 H PHE A 17 -12.361 3.116 4.295 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.618 3.582 4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.144 2.394 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.606 3.980 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.792 5.507 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.151 1.336 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.852 5.478 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.275 1.287 0.272 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.621 3.359 -0.932 1.00 0.00 H new ATOM 252 N ALA A 18 -11.338 6.317 3.666 1.00 0.00 N ATOM 253 CA ALA A 18 -11.212 7.767 3.585 1.00 0.00 C ATOM 254 C ALA A 18 -10.692 8.395 4.891 1.00 0.00 C ATOM 255 O ALA A 18 -9.946 9.373 4.844 1.00 0.00 O ATOM 256 CB ALA A 18 -12.550 8.362 3.137 1.00 0.00 C ATOM 0 H ALA A 18 -12.298 5.977 3.611 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.454 8.009 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.463 9.447 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.817 7.962 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.324 8.101 3.859 1.00 0.00 H new ATOM 262 N THR A 19 -11.013 7.818 6.051 1.00 0.00 N ATOM 263 CA THR A 19 -10.533 8.300 7.360 1.00 0.00 C ATOM 264 C THR A 19 -9.092 7.855 7.640 1.00 0.00 C ATOM 265 O THR A 19 -8.328 8.594 8.263 1.00 0.00 O ATOM 266 CB THR A 19 -11.463 7.810 8.487 1.00 0.00 C ATOM 267 OG1 THR A 19 -12.816 8.063 8.154 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.200 8.510 9.821 1.00 0.00 C ATOM 0 H THR A 19 -11.616 6.998 6.115 1.00 0.00 H new ATOM 0 HA THR A 19 -10.545 9.389 7.329 1.00 0.00 H new ATOM 0 HB THR A 19 -11.262 6.744 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.396 7.745 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.885 8.124 10.576 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.173 8.323 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 19 -11.355 9.583 9.706 1.00 0.00 H new ATOM 276 N ASP A 20 -8.687 6.677 7.158 1.00 0.00 N ATOM 277 CA ASP A 20 -7.351 6.117 7.416 1.00 0.00 C ATOM 278 C ASP A 20 -6.292 6.568 6.393 1.00 0.00 C ATOM 279 O ASP A 20 -5.153 6.857 6.763 1.00 0.00 O ATOM 280 CB ASP A 20 -7.426 4.583 7.451 1.00 0.00 C ATOM 281 CG ASP A 20 -8.227 4.026 8.643 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.087 4.546 9.776 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.962 3.028 8.457 1.00 0.00 O ATOM 0 H ASP A 20 -9.275 6.081 6.576 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.032 6.502 8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.879 4.230 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.414 4.180 7.485 1.00 0.00 H new ATOM 288 N VAL A 21 -6.661 6.623 5.111 1.00 0.00 N ATOM 289 CA VAL A 21 -5.754 6.865 3.976 1.00 0.00 C ATOM 290 C VAL A 21 -5.827 8.307 3.468 1.00 0.00 C ATOM 291 O VAL A 21 -4.797 8.884 3.122 1.00 0.00 O ATOM 292 CB VAL A 21 -6.047 5.869 2.830 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.010 5.959 1.709 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.061 4.412 3.315 1.00 0.00 C ATOM 0 H VAL A 21 -7.630 6.497 4.820 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.738 6.706 4.336 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.032 6.151 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.257 5.241 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.012 6.966 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.021 5.734 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.271 3.751 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.089 4.161 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.833 4.289 4.075 1.00 0.00 H new ATOM 304 N LEU A 22 -7.031 8.895 3.404 1.00 0.00 N ATOM 305 CA LEU A 22 -7.265 10.194 2.749 1.00 0.00 C ATOM 306 C LEU A 22 -7.368 11.388 3.722 1.00 0.00 C ATOM 307 O LEU A 22 -7.159 12.529 3.305 1.00 0.00 O ATOM 308 CB LEU A 22 -8.484 10.107 1.805 1.00 0.00 C ATOM 309 CG LEU A 22 -8.506 8.901 0.839 1.00 0.00 C ATOM 310 CD1 LEU A 22 -9.760 8.950 -0.032 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.292 8.843 -0.088 1.00 0.00 C ATOM 0 H LEU A 22 -7.873 8.483 3.806 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.374 10.404 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.388 10.077 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.527 11.022 1.214 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.492 8.013 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.766 8.096 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.645 8.916 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.764 9.873 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.372 7.972 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.254 9.747 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.382 8.768 0.508 1.00 0.00 H new ATOM 323 N SER A 23 -7.650 11.141 5.007 1.00 0.00 N ATOM 324 CA SER A 23 -7.789 12.172 6.060 1.00 0.00 C ATOM 325 C SER A 23 -6.491 12.429 6.854 1.00 0.00 C ATOM 326 O SER A 23 -6.502 13.122 7.874 1.00 0.00 O ATOM 327 CB SER A 23 -8.964 11.858 6.994 1.00 0.00 C ATOM 328 OG SER A 23 -10.177 11.777 6.263 1.00 0.00 O ATOM 0 H SER A 23 -7.793 10.195 5.360 1.00 0.00 H new ATOM 0 HA SER A 23 -8.003 13.104 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.782 10.916 7.512 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.045 12.631 7.758 1.00 0.00 H new ATOM 0 HG SER A 23 -10.176 10.964 5.716 1.00 0.00 H new ATOM 334 N SER A 24 -5.374 11.844 6.416 1.00 0.00 N ATOM 335 CA SER A 24 -4.053 11.889 7.042 1.00 0.00 C ATOM 336 C SER A 24 -3.362 13.265 6.983 1.00 0.00 C ATOM 337 O SER A 24 -3.635 14.091 6.106 1.00 0.00 O ATOM 338 CB SER A 24 -3.186 10.829 6.357 1.00 0.00 C ATOM 339 OG SER A 24 -3.083 11.103 4.972 1.00 0.00 O ATOM 0 H SER A 24 -5.369 11.291 5.559 1.00 0.00 H new ATOM 0 HA SER A 24 -4.183 11.691 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.193 10.814 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.620 9.840 6.508 1.00 0.00 H new ATOM 0 HG SER A 24 -2.139 11.113 4.710 1.00 0.00 H new ATOM 345 N ASN A 25 -2.417 13.501 7.906 1.00 0.00 N ATOM 346 CA ASN A 25 -1.551 14.696 7.930 1.00 0.00 C ATOM 347 C ASN A 25 -0.257 14.540 7.092 1.00 0.00 C ATOM 348 O ASN A 25 0.501 15.501 6.932 1.00 0.00 O ATOM 349 CB ASN A 25 -1.238 15.047 9.401 1.00 0.00 C ATOM 350 CG ASN A 25 -2.436 15.542 10.204 1.00 0.00 C ATOM 351 OD1 ASN A 25 -3.497 15.871 9.691 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.296 15.630 11.508 1.00 0.00 N ATOM 0 H ASN A 25 -2.228 12.856 8.673 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.092 15.515 7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.828 14.165 9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.462 15.813 9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.068 15.970 12.082 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.416 15.358 11.946 1.00 0.00 H new ATOM 359 N LYS A 26 0.002 13.334 6.565 1.00 0.00 N ATOM 360 CA LYS A 26 1.161 12.938 5.740 1.00 0.00 C ATOM 361 C LYS A 26 0.732 11.955 4.629 1.00 0.00 C ATOM 362 O LYS A 26 -0.372 11.408 4.724 1.00 0.00 O ATOM 363 CB LYS A 26 2.257 12.335 6.650 1.00 0.00 C ATOM 364 CG LYS A 26 1.812 11.047 7.361 1.00 0.00 C ATOM 365 CD LYS A 26 2.952 10.367 8.129 1.00 0.00 C ATOM 366 CE LYS A 26 2.353 9.131 8.802 1.00 0.00 C ATOM 367 NZ LYS A 26 3.361 8.278 9.479 1.00 0.00 N ATOM 0 H LYS A 26 -0.636 12.552 6.713 1.00 0.00 H new ATOM 0 HA LYS A 26 1.572 13.817 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.143 12.124 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.547 13.074 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.003 11.281 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.411 10.351 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.760 10.086 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.377 11.044 8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.609 9.449 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.830 8.537 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.880 7.613 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.900 7.745 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.010 8.877 10.028 1.00 0.00 H new ATOM 381 N PRO A 27 1.564 11.683 3.605 1.00 0.00 N ATOM 382 CA PRO A 27 1.277 10.663 2.594 1.00 0.00 C ATOM 383 C PRO A 27 1.026 9.260 3.183 1.00 0.00 C ATOM 384 O PRO A 27 1.626 8.877 4.193 1.00 0.00 O ATOM 385 CB PRO A 27 2.499 10.656 1.670 1.00 0.00 C ATOM 386 CG PRO A 27 3.061 12.070 1.807 1.00 0.00 C ATOM 387 CD PRO A 27 2.794 12.388 3.274 1.00 0.00 C ATOM 0 HA PRO A 27 0.352 10.906 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.227 9.904 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.221 10.433 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.124 12.109 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.560 12.773 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.619 12.056 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.686 13.461 3.430 1.00 0.00 H new ATOM 395 N VAL A 28 0.171 8.469 2.527 1.00 0.00 N ATOM 396 CA VAL A 28 -0.168 7.087 2.913 1.00 0.00 C ATOM 397 C VAL A 28 -0.097 6.162 1.696 1.00 0.00 C ATOM 398 O VAL A 28 -0.685 6.432 0.646 1.00 0.00 O ATOM 399 CB VAL A 28 -1.545 6.985 3.606 1.00 0.00 C ATOM 400 CG1 VAL A 28 -1.829 5.551 4.083 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.633 7.896 4.836 1.00 0.00 C ATOM 0 H VAL A 28 -0.321 8.777 1.688 1.00 0.00 H new ATOM 0 HA VAL A 28 0.572 6.766 3.646 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.276 7.292 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.806 5.515 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.822 4.875 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.061 5.245 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.617 7.795 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.866 7.610 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.479 8.932 4.533 1.00 0.00 H new ATOM 411 N LEU A 29 0.631 5.058 1.852 1.00 0.00 N ATOM 412 CA LEU A 29 0.835 4.008 0.854 1.00 0.00 C ATOM 413 C LEU A 29 -0.139 2.859 1.145 1.00 0.00 C ATOM 414 O LEU A 29 -0.151 2.370 2.272 1.00 0.00 O ATOM 415 CB LEU A 29 2.308 3.567 0.976 1.00 0.00 C ATOM 416 CG LEU A 29 2.923 2.828 -0.223 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.308 2.335 0.196 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.148 1.594 -0.690 1.00 0.00 C ATOM 0 H LEU A 29 1.121 4.861 2.725 1.00 0.00 H new ATOM 0 HA LEU A 29 0.642 4.347 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.911 4.454 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.396 2.923 1.851 1.00 0.00 H new ATOM 0 HG LEU A 29 2.924 3.541 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.772 1.805 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.928 3.187 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.212 1.662 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.661 1.142 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.089 0.872 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.142 1.888 -0.988 1.00 0.00 H new ATOM 430 N VAL A 30 -0.921 2.396 0.167 1.00 0.00 N ATOM 431 CA VAL A 30 -1.778 1.204 0.300 1.00 0.00 C ATOM 432 C VAL A 30 -1.331 0.101 -0.660 1.00 0.00 C ATOM 433 O VAL A 30 -1.246 0.310 -1.872 1.00 0.00 O ATOM 434 CB VAL A 30 -3.276 1.511 0.112 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.114 0.314 0.584 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.737 2.748 0.889 1.00 0.00 C ATOM 0 H VAL A 30 -0.981 2.838 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.658 0.854 1.325 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.419 1.705 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.173 0.535 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.850 -0.568 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.915 0.123 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.801 2.911 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.562 2.595 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.176 3.620 0.551 1.00 0.00 H new ATOM 446 N ASP A 31 -1.070 -1.085 -0.115 1.00 0.00 N ATOM 447 CA ASP A 31 -0.711 -2.301 -0.843 1.00 0.00 C ATOM 448 C ASP A 31 -1.878 -3.307 -0.863 1.00 0.00 C ATOM 449 O ASP A 31 -2.289 -3.843 0.169 1.00 0.00 O ATOM 450 CB ASP A 31 0.576 -2.874 -0.236 1.00 0.00 C ATOM 451 CG ASP A 31 0.886 -4.291 -0.735 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.884 -4.511 -1.966 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.136 -5.169 0.124 1.00 0.00 O ATOM 0 H ASP A 31 -1.105 -1.232 0.894 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.516 -2.070 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.411 -2.217 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.486 -2.887 0.850 1.00 0.00 H new ATOM 458 N PHE A 32 -2.406 -3.556 -2.060 1.00 0.00 N ATOM 459 CA PHE A 32 -3.445 -4.534 -2.375 1.00 0.00 C ATOM 460 C PHE A 32 -2.757 -5.844 -2.777 1.00 0.00 C ATOM 461 O PHE A 32 -2.105 -5.929 -3.822 1.00 0.00 O ATOM 462 CB PHE A 32 -4.356 -3.972 -3.479 1.00 0.00 C ATOM 463 CG PHE A 32 -5.038 -2.662 -3.118 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.341 -1.441 -3.223 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.375 -2.654 -2.678 1.00 0.00 C ATOM 466 CE1 PHE A 32 -4.968 -0.235 -2.873 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.001 -1.444 -2.334 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.299 -0.231 -2.430 1.00 0.00 C ATOM 0 H PHE A 32 -2.099 -3.047 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.083 -4.737 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.764 -3.824 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.120 -4.713 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.320 -1.434 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.922 -3.582 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.423 0.695 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.026 -1.447 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.781 0.698 -2.165 1.00 0.00 H new ATOM 478 N TRP A 33 -2.853 -6.846 -1.906 1.00 0.00 N ATOM 479 CA TRP A 33 -2.013 -8.049 -1.908 1.00 0.00 C ATOM 480 C TRP A 33 -2.823 -9.298 -1.529 1.00 0.00 C ATOM 481 O TRP A 33 -4.024 -9.211 -1.272 1.00 0.00 O ATOM 482 CB TRP A 33 -0.839 -7.823 -0.937 1.00 0.00 C ATOM 483 CG TRP A 33 -1.170 -7.973 0.521 1.00 0.00 C ATOM 484 CD1 TRP A 33 -1.978 -7.152 1.224 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.761 -9.016 1.462 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.191 -7.667 2.485 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.471 -8.821 2.685 1.00 0.00 C ATOM 488 CE3 TRP A 33 0.149 -10.094 1.420 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.344 -9.689 3.777 1.00 0.00 C ATOM 490 CZ3 TRP A 33 0.301 -10.962 2.516 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.464 -10.778 3.681 1.00 0.00 C ATOM 0 H TRP A 33 -3.540 -6.846 -1.152 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.627 -8.225 -2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.044 -8.526 -1.186 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.442 -6.821 -1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.396 -6.228 0.853 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.805 -7.245 3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.739 -10.255 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.914 -9.523 4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 1.010 -11.775 2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.375 -11.474 4.502 1.00 0.00 H new ATOM 502 N ALA A 34 -2.180 -10.465 -1.460 1.00 0.00 N ATOM 503 CA ALA A 34 -2.768 -11.644 -0.831 1.00 0.00 C ATOM 504 C ALA A 34 -1.751 -12.506 -0.075 1.00 0.00 C ATOM 505 O ALA A 34 -0.653 -12.778 -0.568 1.00 0.00 O ATOM 506 CB ALA A 34 -3.486 -12.475 -1.895 1.00 0.00 C ATOM 0 H ALA A 34 -1.244 -10.617 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.475 -11.291 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.927 -13.357 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.271 -11.876 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.772 -12.785 -2.658 1.00 0.00 H new ATOM 512 N THR A 35 -2.178 -13.028 1.077 1.00 0.00 N ATOM 513 CA THR A 35 -1.446 -14.013 1.895 1.00 0.00 C ATOM 514 C THR A 35 -1.101 -15.282 1.101 1.00 0.00 C ATOM 515 O THR A 35 -0.067 -15.909 1.340 1.00 0.00 O ATOM 516 CB THR A 35 -2.287 -14.382 3.136 1.00 0.00 C ATOM 517 OG1 THR A 35 -2.652 -13.232 3.872 1.00 0.00 O ATOM 518 CG2 THR A 35 -1.542 -15.288 4.120 1.00 0.00 C ATOM 0 H THR A 35 -3.076 -12.770 1.486 1.00 0.00 H new ATOM 0 HA THR A 35 -0.506 -13.556 2.203 1.00 0.00 H new ATOM 0 HB THR A 35 -3.156 -14.900 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.367 -12.755 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.187 -15.511 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.265 -16.217 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.642 -14.782 4.470 1.00 0.00 H new ATOM 526 N TRP A 36 -1.932 -15.640 0.117 1.00 0.00 N ATOM 527 CA TRP A 36 -1.790 -16.822 -0.740 1.00 0.00 C ATOM 528 C TRP A 36 -0.947 -16.609 -2.018 1.00 0.00 C ATOM 529 O TRP A 36 -0.764 -17.558 -2.784 1.00 0.00 O ATOM 530 CB TRP A 36 -3.198 -17.369 -1.040 1.00 0.00 C ATOM 531 CG TRP A 36 -4.238 -16.394 -1.527 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.239 -15.882 -0.771 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.425 -15.812 -2.861 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.053 -15.080 -1.542 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.607 -15.007 -2.840 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.715 -15.859 -4.083 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.082 -14.322 -3.965 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.158 -15.137 -5.209 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.354 -14.396 -5.162 1.00 0.00 C ATOM 0 H TRP A 36 -2.759 -15.089 -0.114 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.206 -17.560 -0.191 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.100 -18.156 -1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.577 -17.838 -0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.379 -16.074 0.283 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.883 -14.601 -1.193 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.819 -16.458 -4.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.994 -13.746 -3.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.574 -15.152 -6.117 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.710 -13.886 -6.045 1.00 0.00 H new ATOM 550 N CYS A 37 -0.429 -15.400 -2.272 1.00 0.00 N ATOM 551 CA CYS A 37 0.247 -15.037 -3.527 1.00 0.00 C ATOM 552 C CYS A 37 1.770 -14.827 -3.361 1.00 0.00 C ATOM 553 O CYS A 37 2.227 -14.136 -2.449 1.00 0.00 O ATOM 554 CB CYS A 37 -0.485 -13.818 -4.105 1.00 0.00 C ATOM 555 SG CYS A 37 0.214 -13.318 -5.703 1.00 0.00 S ATOM 0 H CYS A 37 -0.468 -14.633 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 37 0.188 -15.864 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.543 -14.051 -4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.421 -12.987 -3.403 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.474 -12.327 -6.187 1.00 0.00 H new ATOM 561 N GLY A 38 2.567 -15.397 -4.274 1.00 0.00 N ATOM 562 CA GLY A 38 4.039 -15.378 -4.245 1.00 0.00 C ATOM 563 C GLY A 38 4.685 -13.991 -4.386 1.00 0.00 C ATOM 564 O GLY A 38 5.410 -13.581 -3.476 1.00 0.00 O ATOM 0 H GLY A 38 2.195 -15.901 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.372 -15.821 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.409 -16.015 -5.048 1.00 0.00 H new ATOM 568 N PRO A 39 4.426 -13.210 -5.457 1.00 0.00 N ATOM 569 CA PRO A 39 4.948 -11.843 -5.573 1.00 0.00 C ATOM 570 C PRO A 39 4.413 -10.903 -4.479 1.00 0.00 C ATOM 571 O PRO A 39 5.124 -9.991 -4.054 1.00 0.00 O ATOM 572 CB PRO A 39 4.590 -11.381 -6.992 1.00 0.00 C ATOM 573 CG PRO A 39 3.413 -12.270 -7.388 1.00 0.00 C ATOM 574 CD PRO A 39 3.727 -13.586 -6.679 1.00 0.00 C ATOM 0 HA PRO A 39 6.027 -11.821 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.316 -10.326 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.430 -11.504 -7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.462 -11.851 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.349 -12.398 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.815 -14.139 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.346 -14.231 -7.303 1.00 0.00 H new ATOM 582 N CYS A 40 3.218 -11.160 -3.934 1.00 0.00 N ATOM 583 CA CYS A 40 2.733 -10.466 -2.736 1.00 0.00 C ATOM 584 C CYS A 40 3.612 -10.766 -1.508 1.00 0.00 C ATOM 585 O CYS A 40 4.005 -9.848 -0.787 1.00 0.00 O ATOM 586 CB CYS A 40 1.279 -10.861 -2.471 1.00 0.00 C ATOM 587 SG CYS A 40 0.202 -10.244 -3.789 1.00 0.00 S ATOM 0 H CYS A 40 2.565 -11.849 -4.307 1.00 0.00 H new ATOM 0 HA CYS A 40 2.790 -9.392 -2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.197 -11.946 -2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.956 -10.458 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 40 0.018 -11.179 -4.673 1.00 0.00 H new ATOM 593 N LYS A 41 3.991 -12.036 -1.307 1.00 0.00 N ATOM 594 CA LYS A 41 4.939 -12.462 -0.262 1.00 0.00 C ATOM 595 C LYS A 41 6.346 -11.882 -0.471 1.00 0.00 C ATOM 596 O LYS A 41 7.041 -11.611 0.504 1.00 0.00 O ATOM 597 CB LYS A 41 4.974 -14.004 -0.220 1.00 0.00 C ATOM 598 CG LYS A 41 5.392 -14.595 1.139 1.00 0.00 C ATOM 599 CD LYS A 41 4.431 -14.284 2.303 1.00 0.00 C ATOM 600 CE LYS A 41 2.956 -14.615 2.015 1.00 0.00 C ATOM 601 NZ LYS A 41 2.707 -16.077 1.910 1.00 0.00 N ATOM 0 H LYS A 41 3.643 -12.810 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 41 4.593 -12.072 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.986 -14.385 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.664 -14.360 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.479 -15.677 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.383 -14.218 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.751 -14.843 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.511 -13.226 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.333 -14.200 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.654 -14.131 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.710 -16.243 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.317 -16.481 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.920 -16.532 2.821 1.00 0.00 H new ATOM 615 N MET A 42 6.747 -11.645 -1.724 1.00 0.00 N ATOM 616 CA MET A 42 8.037 -11.041 -2.089 1.00 0.00 C ATOM 617 C MET A 42 8.109 -9.530 -1.795 1.00 0.00 C ATOM 618 O MET A 42 9.145 -9.049 -1.335 1.00 0.00 O ATOM 619 CB MET A 42 8.325 -11.339 -3.571 1.00 0.00 C ATOM 620 CG MET A 42 9.735 -10.933 -4.016 1.00 0.00 C ATOM 621 SD MET A 42 11.089 -11.800 -3.171 1.00 0.00 S ATOM 622 CE MET A 42 12.503 -10.989 -3.964 1.00 0.00 C ATOM 0 H MET A 42 6.171 -11.873 -2.534 1.00 0.00 H new ATOM 0 HA MET A 42 8.807 -11.491 -1.462 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.189 -12.405 -3.752 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.594 -10.816 -4.187 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.825 -11.108 -5.088 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.855 -9.861 -3.857 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.430 -11.400 -3.564 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.465 -11.161 -5.040 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.466 -9.918 -3.766 1.00 0.00 H new ATOM 632 N VAL A 43 7.023 -8.773 -2.016 1.00 0.00 N ATOM 633 CA VAL A 43 6.982 -7.317 -1.740 1.00 0.00 C ATOM 634 C VAL A 43 6.648 -6.980 -0.276 1.00 0.00 C ATOM 635 O VAL A 43 7.014 -5.907 0.204 1.00 0.00 O ATOM 636 CB VAL A 43 6.085 -6.586 -2.762 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.588 -6.779 -2.515 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.392 -5.085 -2.833 1.00 0.00 C ATOM 0 H VAL A 43 6.149 -9.145 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 43 7.994 -6.936 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 43 6.328 -7.052 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.021 -6.237 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.344 -7.840 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.330 -6.398 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.736 -4.614 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.228 -4.633 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.431 -4.940 -3.130 1.00 0.00 H new ATOM 648 N ALA A 44 6.032 -7.900 0.475 1.00 0.00 N ATOM 649 CA ALA A 44 5.734 -7.739 1.902 1.00 0.00 C ATOM 650 C ALA A 44 6.947 -7.355 2.790 1.00 0.00 C ATOM 651 O ALA A 44 6.826 -6.364 3.513 1.00 0.00 O ATOM 652 CB ALA A 44 5.013 -8.998 2.404 1.00 0.00 C ATOM 0 H ALA A 44 5.720 -8.796 0.100 1.00 0.00 H new ATOM 0 HA ALA A 44 5.080 -6.872 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.787 -8.889 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.086 -9.133 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.654 -9.867 2.257 1.00 0.00 H new ATOM 658 N PRO A 45 8.119 -8.029 2.751 1.00 0.00 N ATOM 659 CA PRO A 45 9.280 -7.632 3.559 1.00 0.00 C ATOM 660 C PRO A 45 9.896 -6.293 3.116 1.00 0.00 C ATOM 661 O PRO A 45 10.407 -5.549 3.952 1.00 0.00 O ATOM 662 CB PRO A 45 10.281 -8.787 3.437 1.00 0.00 C ATOM 663 CG PRO A 45 9.935 -9.420 2.091 1.00 0.00 C ATOM 664 CD PRO A 45 8.419 -9.262 2.038 1.00 0.00 C ATOM 0 HA PRO A 45 8.984 -7.459 4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.310 -8.430 3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.173 -9.499 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.426 -8.909 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.237 -10.466 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.068 -9.212 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.922 -10.113 2.503 1.00 0.00 H new ATOM 672 N VAL A 46 9.799 -5.943 1.827 1.00 0.00 N ATOM 673 CA VAL A 46 10.218 -4.627 1.309 1.00 0.00 C ATOM 674 C VAL A 46 9.333 -3.521 1.895 1.00 0.00 C ATOM 675 O VAL A 46 9.844 -2.549 2.454 1.00 0.00 O ATOM 676 CB VAL A 46 10.222 -4.621 -0.237 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.339 -3.210 -0.802 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.367 -5.489 -0.765 1.00 0.00 C ATOM 0 H VAL A 46 9.427 -6.564 1.109 1.00 0.00 H new ATOM 0 HA VAL A 46 11.242 -4.428 1.627 1.00 0.00 H new ATOM 0 HB VAL A 46 9.268 -5.033 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.338 -3.253 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.495 -2.611 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.268 -2.756 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.360 -5.477 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.318 -5.096 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.240 -6.513 -0.412 1.00 0.00 H new ATOM 688 N LEU A 47 8.008 -3.694 1.843 1.00 0.00 N ATOM 689 CA LEU A 47 7.042 -2.778 2.454 1.00 0.00 C ATOM 690 C LEU A 47 7.163 -2.723 3.986 1.00 0.00 C ATOM 691 O LEU A 47 6.981 -1.653 4.557 1.00 0.00 O ATOM 692 CB LEU A 47 5.624 -3.198 2.035 1.00 0.00 C ATOM 693 CG LEU A 47 5.225 -2.730 0.627 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.948 -3.449 0.214 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.968 -1.221 0.580 1.00 0.00 C ATOM 0 H LEU A 47 7.572 -4.485 1.369 1.00 0.00 H new ATOM 0 HA LEU A 47 7.257 -1.771 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.549 -4.284 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.910 -2.799 2.755 1.00 0.00 H new ATOM 0 HG LEU A 47 6.048 -2.960 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.655 -3.125 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.121 -4.525 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.152 -3.212 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.689 -0.931 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.160 -0.968 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.873 -0.689 0.873 1.00 0.00 H new ATOM 707 N GLU A 48 7.515 -3.825 4.654 1.00 0.00 N ATOM 708 CA GLU A 48 7.778 -3.850 6.101 1.00 0.00 C ATOM 709 C GLU A 48 8.997 -2.986 6.468 1.00 0.00 C ATOM 710 O GLU A 48 8.928 -2.183 7.400 1.00 0.00 O ATOM 711 CB GLU A 48 7.982 -5.301 6.568 1.00 0.00 C ATOM 712 CG GLU A 48 7.921 -5.438 8.095 1.00 0.00 C ATOM 713 CD GLU A 48 8.545 -6.760 8.561 1.00 0.00 C ATOM 714 OE1 GLU A 48 7.988 -7.849 8.295 1.00 0.00 O ATOM 715 OE2 GLU A 48 9.639 -6.738 9.177 1.00 0.00 O ATOM 0 H GLU A 48 7.627 -4.734 4.205 1.00 0.00 H new ATOM 0 HA GLU A 48 6.913 -3.427 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.218 -5.935 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.947 -5.662 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.445 -4.602 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.884 -5.386 8.426 1.00 0.00 H new ATOM 722 N GLU A 49 10.099 -3.085 5.715 1.00 0.00 N ATOM 723 CA GLU A 49 11.255 -2.198 5.892 1.00 0.00 C ATOM 724 C GLU A 49 10.883 -0.733 5.637 1.00 0.00 C ATOM 725 O GLU A 49 11.208 0.127 6.449 1.00 0.00 O ATOM 726 CB GLU A 49 12.415 -2.598 4.968 1.00 0.00 C ATOM 727 CG GLU A 49 13.197 -3.814 5.479 1.00 0.00 C ATOM 728 CD GLU A 49 14.410 -4.125 4.579 1.00 0.00 C ATOM 729 OE1 GLU A 49 15.138 -3.177 4.189 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.658 -5.316 4.275 1.00 0.00 O ATOM 0 H GLU A 49 10.214 -3.775 4.973 1.00 0.00 H new ATOM 0 HA GLU A 49 11.576 -2.304 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.022 -2.817 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.096 -1.753 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.537 -3.627 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.539 -4.682 5.517 1.00 0.00 H new ATOM 737 N ILE A 50 10.145 -0.434 4.563 1.00 0.00 N ATOM 738 CA ILE A 50 9.675 0.930 4.262 1.00 0.00 C ATOM 739 C ILE A 50 8.793 1.474 5.398 1.00 0.00 C ATOM 740 O ILE A 50 8.987 2.607 5.834 1.00 0.00 O ATOM 741 CB ILE A 50 8.944 0.919 2.901 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.962 0.695 1.756 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.142 2.209 2.643 1.00 0.00 C ATOM 744 CD1 ILE A 50 9.323 0.137 0.481 1.00 0.00 C ATOM 0 H ILE A 50 9.854 -1.129 3.875 1.00 0.00 H new ATOM 0 HA ILE A 50 10.526 1.607 4.189 1.00 0.00 H new ATOM 0 HB ILE A 50 8.228 0.098 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.453 1.640 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.737 0.008 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.650 2.144 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.391 2.332 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.817 3.065 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.090 0.003 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.856 -0.824 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.568 0.834 0.118 1.00 0.00 H new ATOM 756 N ALA A 51 7.873 0.666 5.931 1.00 0.00 N ATOM 757 CA ALA A 51 7.015 1.031 7.057 1.00 0.00 C ATOM 758 C ALA A 51 7.808 1.292 8.343 1.00 0.00 C ATOM 759 O ALA A 51 7.465 2.166 9.135 1.00 0.00 O ATOM 760 CB ALA A 51 6.038 -0.121 7.296 1.00 0.00 C ATOM 0 H ALA A 51 7.702 -0.278 5.584 1.00 0.00 H new ATOM 0 HA ALA A 51 6.498 1.957 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.384 0.124 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.437 -0.281 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.595 -1.029 7.526 1.00 0.00 H new ATOM 766 N THR A 52 8.862 0.513 8.568 1.00 0.00 N ATOM 767 CA THR A 52 9.729 0.631 9.751 1.00 0.00 C ATOM 768 C THR A 52 10.630 1.868 9.658 1.00 0.00 C ATOM 769 O THR A 52 10.748 2.635 10.613 1.00 0.00 O ATOM 770 CB THR A 52 10.602 -0.630 9.898 1.00 0.00 C ATOM 771 OG1 THR A 52 9.802 -1.796 9.938 1.00 0.00 O ATOM 772 CG2 THR A 52 11.457 -0.638 11.160 1.00 0.00 C ATOM 0 H THR A 52 9.147 -0.230 7.930 1.00 0.00 H new ATOM 0 HA THR A 52 9.087 0.735 10.625 1.00 0.00 H new ATOM 0 HB THR A 52 11.256 -0.617 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.353 -1.914 9.075 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.044 -1.556 11.196 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.127 0.222 11.151 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.812 -0.586 12.037 1.00 0.00 H new ATOM 780 N GLU A 53 11.269 2.073 8.504 1.00 0.00 N ATOM 781 CA GLU A 53 12.315 3.082 8.301 1.00 0.00 C ATOM 782 C GLU A 53 11.780 4.465 7.905 1.00 0.00 C ATOM 783 O GLU A 53 12.330 5.478 8.341 1.00 0.00 O ATOM 784 CB GLU A 53 13.320 2.573 7.259 1.00 0.00 C ATOM 785 CG GLU A 53 14.040 1.301 7.733 1.00 0.00 C ATOM 786 CD GLU A 53 15.291 1.022 6.884 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.146 0.707 5.678 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.425 1.112 7.415 1.00 0.00 O ATOM 0 H GLU A 53 11.070 1.530 7.664 1.00 0.00 H new ATOM 0 HA GLU A 53 12.805 3.225 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.801 2.369 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.055 3.351 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.324 1.409 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.360 0.451 7.674 1.00 0.00 H new ATOM 795 N ARG A 54 10.697 4.524 7.113 1.00 0.00 N ATOM 796 CA ARG A 54 10.059 5.775 6.657 1.00 0.00 C ATOM 797 C ARG A 54 8.816 6.152 7.470 1.00 0.00 C ATOM 798 O ARG A 54 7.964 6.889 6.982 1.00 0.00 O ATOM 799 CB ARG A 54 9.796 5.771 5.133 1.00 0.00 C ATOM 800 CG ARG A 54 10.927 5.315 4.185 1.00 0.00 C ATOM 801 CD ARG A 54 12.372 5.710 4.533 1.00 0.00 C ATOM 802 NE ARG A 54 12.508 7.056 5.119 1.00 0.00 N ATOM 803 CZ ARG A 54 13.536 7.475 5.832 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.686 6.869 5.820 1.00 0.00 N ATOM 805 NH2 ARG A 54 13.406 8.530 6.573 1.00 0.00 N ATOM 0 H ARG A 54 10.229 3.688 6.763 1.00 0.00 H new ATOM 0 HA ARG A 54 10.781 6.569 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.933 5.132 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.511 6.783 4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.886 4.228 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.706 5.705 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.778 4.979 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.979 5.657 3.629 1.00 0.00 H new ATOM 0 HE ARG A 54 11.747 7.716 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.818 6.037 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.456 7.225 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.516 9.027 6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.194 8.863 7.129 1.00 0.00 H new ATOM 819 N ALA A 55 8.720 5.689 8.718 1.00 0.00 N ATOM 820 CA ALA A 55 7.600 5.951 9.633 1.00 0.00 C ATOM 821 C ALA A 55 7.291 7.451 9.848 1.00 0.00 C ATOM 822 O ALA A 55 6.145 7.820 10.114 1.00 0.00 O ATOM 823 CB ALA A 55 7.940 5.279 10.970 1.00 0.00 C ATOM 0 H ALA A 55 9.442 5.102 9.136 1.00 0.00 H new ATOM 0 HA ALA A 55 6.694 5.542 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.131 5.451 11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.067 4.207 10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.864 5.701 11.365 1.00 0.00 H new ATOM 829 N THR A 56 8.295 8.323 9.719 1.00 0.00 N ATOM 830 CA THR A 56 8.166 9.790 9.804 1.00 0.00 C ATOM 831 C THR A 56 7.721 10.451 8.491 1.00 0.00 C ATOM 832 O THR A 56 7.221 11.576 8.517 1.00 0.00 O ATOM 833 CB THR A 56 9.490 10.417 10.270 1.00 0.00 C ATOM 834 OG1 THR A 56 10.566 9.916 9.502 1.00 0.00 O ATOM 835 CG2 THR A 56 9.781 10.092 11.736 1.00 0.00 C ATOM 0 H THR A 56 9.254 8.022 9.547 1.00 0.00 H new ATOM 0 HA THR A 56 7.378 9.977 10.533 1.00 0.00 H new ATOM 0 HB THR A 56 9.390 11.495 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.403 10.324 9.807 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.725 10.552 12.030 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.977 10.481 12.361 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.849 9.012 11.863 1.00 0.00 H new ATOM 843 N ASP A 57 7.872 9.773 7.348 1.00 0.00 N ATOM 844 CA ASP A 57 7.559 10.294 6.008 1.00 0.00 C ATOM 845 C ASP A 57 6.227 9.754 5.454 1.00 0.00 C ATOM 846 O ASP A 57 5.477 10.490 4.813 1.00 0.00 O ATOM 847 CB ASP A 57 8.689 9.934 5.030 1.00 0.00 C ATOM 848 CG ASP A 57 10.093 10.255 5.556 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.451 11.453 5.655 1.00 0.00 O ATOM 850 OD2 ASP A 57 10.856 9.300 5.832 1.00 0.00 O ATOM 0 H ASP A 57 8.226 8.817 7.327 1.00 0.00 H new ATOM 0 HA ASP A 57 7.463 11.375 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.632 8.870 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.531 10.470 4.094 1.00 0.00 H new ATOM 855 N LEU A 58 5.932 8.474 5.715 1.00 0.00 N ATOM 856 CA LEU A 58 4.783 7.707 5.221 1.00 0.00 C ATOM 857 C LEU A 58 4.058 6.995 6.378 1.00 0.00 C ATOM 858 O LEU A 58 4.644 6.744 7.434 1.00 0.00 O ATOM 859 CB LEU A 58 5.253 6.640 4.202 1.00 0.00 C ATOM 860 CG LEU A 58 6.025 7.111 2.957 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.371 5.906 2.081 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.217 8.092 2.116 1.00 0.00 C ATOM 0 H LEU A 58 6.531 7.909 6.318 1.00 0.00 H new ATOM 0 HA LEU A 58 4.098 8.407 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.883 5.927 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.373 6.095 3.861 1.00 0.00 H new ATOM 0 HG LEU A 58 6.925 7.614 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.918 6.242 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.989 5.210 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.453 5.407 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.803 8.396 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.297 7.613 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.973 8.969 2.715 1.00 0.00 H new ATOM 874 N THR A 59 2.806 6.595 6.158 1.00 0.00 N ATOM 875 CA THR A 59 2.230 5.381 6.779 1.00 0.00 C ATOM 876 C THR A 59 2.064 4.317 5.696 1.00 0.00 C ATOM 877 O THR A 59 1.652 4.634 4.578 1.00 0.00 O ATOM 878 CB THR A 59 0.901 5.657 7.504 1.00 0.00 C ATOM 879 OG1 THR A 59 1.170 6.383 8.682 1.00 0.00 O ATOM 880 CG2 THR A 59 0.157 4.400 7.961 1.00 0.00 C ATOM 0 H THR A 59 2.157 7.094 5.549 1.00 0.00 H new ATOM 0 HA THR A 59 2.914 5.026 7.550 1.00 0.00 H new ATOM 0 HB THR A 59 0.281 6.187 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.330 6.567 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.768 4.686 8.462 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.076 3.780 7.095 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.784 3.837 8.652 1.00 0.00 H new ATOM 888 N VAL A 60 2.383 3.061 6.016 1.00 0.00 N ATOM 889 CA VAL A 60 2.190 1.914 5.118 1.00 0.00 C ATOM 890 C VAL A 60 0.931 1.148 5.531 1.00 0.00 C ATOM 891 O VAL A 60 0.742 0.813 6.698 1.00 0.00 O ATOM 892 CB VAL A 60 3.457 1.034 5.069 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.240 -0.251 4.259 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.606 1.806 4.405 1.00 0.00 C ATOM 0 H VAL A 60 2.788 2.806 6.917 1.00 0.00 H new ATOM 0 HA VAL A 60 2.034 2.263 4.097 1.00 0.00 H new ATOM 0 HB VAL A 60 3.695 0.772 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.159 -0.837 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.440 -0.836 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.967 0.006 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.496 1.178 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.321 2.081 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.818 2.708 4.979 1.00 0.00 H new ATOM 904 N ALA A 61 0.053 0.869 4.573 1.00 0.00 N ATOM 905 CA ALA A 61 -1.230 0.210 4.774 1.00 0.00 C ATOM 906 C ALA A 61 -1.395 -1.001 3.842 1.00 0.00 C ATOM 907 O ALA A 61 -0.844 -1.031 2.739 1.00 0.00 O ATOM 908 CB ALA A 61 -2.347 1.241 4.580 1.00 0.00 C ATOM 0 H ALA A 61 0.224 1.106 3.596 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.282 -0.183 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.315 0.761 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.228 2.047 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.294 1.649 3.571 1.00 0.00 H new ATOM 914 N LYS A 62 -2.178 -1.992 4.274 1.00 0.00 N ATOM 915 CA LYS A 62 -2.448 -3.236 3.537 1.00 0.00 C ATOM 916 C LYS A 62 -3.941 -3.534 3.388 1.00 0.00 C ATOM 917 O LYS A 62 -4.743 -3.217 4.268 1.00 0.00 O ATOM 918 CB LYS A 62 -1.702 -4.408 4.201 1.00 0.00 C ATOM 919 CG LYS A 62 -0.298 -4.592 3.604 1.00 0.00 C ATOM 920 CD LYS A 62 0.443 -5.745 4.299 1.00 0.00 C ATOM 921 CE LYS A 62 1.770 -6.104 3.616 1.00 0.00 C ATOM 922 NZ LYS A 62 1.563 -6.751 2.294 1.00 0.00 N ATOM 0 H LYS A 62 -2.658 -1.953 5.173 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.074 -3.102 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.622 -4.229 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.276 -5.326 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.376 -4.795 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.272 -3.669 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.637 -5.472 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.200 -6.625 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.367 -5.201 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.340 -6.773 4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.457 -7.172 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.841 -7.495 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.245 -6.039 1.605 1.00 0.00 H new ATOM 936 N LEU A 63 -4.282 -4.187 2.278 1.00 0.00 N ATOM 937 CA LEU A 63 -5.581 -4.794 1.986 1.00 0.00 C ATOM 938 C LEU A 63 -5.353 -6.194 1.384 1.00 0.00 C ATOM 939 O LEU A 63 -4.819 -6.307 0.281 1.00 0.00 O ATOM 940 CB LEU A 63 -6.332 -3.829 1.040 1.00 0.00 C ATOM 941 CG LEU A 63 -7.738 -4.219 0.539 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.761 -5.348 -0.485 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.685 -4.625 1.664 1.00 0.00 C ATOM 0 H LEU A 63 -3.620 -4.314 1.513 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.191 -4.939 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.418 -2.869 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.703 -3.670 0.164 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.074 -3.298 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.791 -5.552 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.185 -5.055 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.324 -6.245 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.656 -4.887 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.274 -5.485 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.802 -3.793 2.359 1.00 0.00 H new ATOM 955 N ASP A 64 -5.764 -7.260 2.083 1.00 0.00 N ATOM 956 CA ASP A 64 -5.761 -8.616 1.512 1.00 0.00 C ATOM 957 C ASP A 64 -7.020 -8.793 0.651 1.00 0.00 C ATOM 958 O ASP A 64 -8.142 -8.710 1.167 1.00 0.00 O ATOM 959 CB ASP A 64 -5.659 -9.701 2.597 1.00 0.00 C ATOM 960 CG ASP A 64 -5.406 -11.096 1.989 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.215 -11.545 1.143 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.394 -11.745 2.352 1.00 0.00 O ATOM 0 H ASP A 64 -6.103 -7.211 3.044 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.875 -8.734 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.851 -9.452 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.580 -9.720 3.180 1.00 0.00 H new ATOM 967 N VAL A 65 -6.849 -8.997 -0.657 1.00 0.00 N ATOM 968 CA VAL A 65 -7.942 -8.920 -1.643 1.00 0.00 C ATOM 969 C VAL A 65 -9.031 -9.985 -1.466 1.00 0.00 C ATOM 970 O VAL A 65 -10.152 -9.785 -1.930 1.00 0.00 O ATOM 971 CB VAL A 65 -7.410 -8.936 -3.090 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.498 -7.735 -3.372 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.680 -10.228 -3.466 1.00 0.00 C ATOM 0 H VAL A 65 -5.944 -9.222 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.419 -7.960 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.301 -8.874 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.143 -7.782 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.056 -6.811 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.646 -7.758 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.335 -10.164 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.824 -10.368 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.360 -11.073 -3.362 1.00 0.00 H new ATOM 983 N ASP A 66 -8.743 -11.092 -0.772 1.00 0.00 N ATOM 984 CA ASP A 66 -9.746 -12.102 -0.407 1.00 0.00 C ATOM 985 C ASP A 66 -10.589 -11.700 0.824 1.00 0.00 C ATOM 986 O ASP A 66 -11.708 -12.188 0.994 1.00 0.00 O ATOM 987 CB ASP A 66 -9.034 -13.443 -0.185 1.00 0.00 C ATOM 988 CG ASP A 66 -10.020 -14.602 0.047 1.00 0.00 C ATOM 989 OD1 ASP A 66 -10.731 -14.991 -0.911 1.00 0.00 O ATOM 990 OD2 ASP A 66 -10.058 -15.153 1.173 1.00 0.00 O ATOM 0 H ASP A 66 -7.803 -11.315 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.458 -12.189 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.411 -13.668 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.368 -13.359 0.674 1.00 0.00 H new ATOM 995 N THR A 67 -10.077 -10.802 1.675 1.00 0.00 N ATOM 996 CA THR A 67 -10.691 -10.456 2.974 1.00 0.00 C ATOM 997 C THR A 67 -11.642 -9.259 2.900 1.00 0.00 C ATOM 998 O THR A 67 -12.633 -9.222 3.634 1.00 0.00 O ATOM 999 CB THR A 67 -9.634 -10.239 4.073 1.00 0.00 C ATOM 1000 OG1 THR A 67 -8.908 -9.041 3.901 1.00 0.00 O ATOM 1001 CG2 THR A 67 -8.648 -11.400 4.198 1.00 0.00 C ATOM 0 H THR A 67 -9.217 -10.288 1.484 1.00 0.00 H new ATOM 0 HA THR A 67 -11.295 -11.322 3.243 1.00 0.00 H new ATOM 0 HB THR A 67 -10.213 -10.176 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.639 -8.953 2.963 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.930 -11.184 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.191 -12.314 4.440 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.119 -11.531 3.254 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.410 -8.322 1.972 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.409 -7.343 1.529 1.00 0.00 C ATOM 1011 C ASN A 68 -12.234 -7.024 0.023 1.00 0.00 C ATOM 1012 O ASN A 68 -11.468 -6.123 -0.339 1.00 0.00 O ATOM 1013 CB ASN A 68 -12.366 -6.101 2.441 1.00 0.00 C ATOM 1014 CG ASN A 68 -13.515 -5.152 2.148 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -13.652 -4.621 1.055 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -14.393 -4.915 3.095 1.00 0.00 N ATOM 0 H ASN A 68 -10.510 -8.222 1.502 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.410 -7.763 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.409 -6.413 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.419 -5.580 2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.181 -4.293 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.287 -5.353 4.010 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.946 -7.740 -0.871 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.887 -7.507 -2.318 1.00 0.00 C ATOM 1025 C PRO A 69 -13.367 -6.118 -2.770 1.00 0.00 C ATOM 1026 O PRO A 69 -12.915 -5.623 -3.802 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.755 -8.606 -2.943 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.713 -9.736 -1.917 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.662 -8.980 -0.592 1.00 0.00 C ATOM 0 HA PRO A 69 -11.846 -7.539 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.774 -8.260 -3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.360 -8.927 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.592 -10.378 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.841 -10.375 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.666 -8.777 -0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.150 -9.564 0.172 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.253 -5.456 -2.018 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.836 -4.168 -2.424 1.00 0.00 C ATOM 1039 C GLU A 70 -13.814 -3.027 -2.341 1.00 0.00 C ATOM 1040 O GLU A 70 -13.836 -2.118 -3.171 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.067 -3.842 -1.560 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.212 -4.860 -1.685 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.794 -4.911 -3.112 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.569 -3.997 -3.487 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.488 -5.866 -3.864 1.00 0.00 O ATOM 0 H GLU A 70 -14.586 -5.794 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.143 -4.261 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.759 -3.785 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.440 -2.856 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.848 -5.849 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.003 -4.602 -0.981 1.00 0.00 H new ATOM 1052 N THR A 71 -12.868 -3.099 -1.400 1.00 0.00 N ATOM 1053 CA THR A 71 -11.764 -2.128 -1.281 1.00 0.00 C ATOM 1054 C THR A 71 -10.832 -2.212 -2.496 1.00 0.00 C ATOM 1055 O THR A 71 -10.448 -1.186 -3.056 1.00 0.00 O ATOM 1056 CB THR A 71 -10.961 -2.335 0.010 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.796 -2.539 1.127 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.110 -1.115 0.368 1.00 0.00 C ATOM 0 H THR A 71 -12.842 -3.834 -0.693 1.00 0.00 H new ATOM 0 HA THR A 71 -12.212 -1.135 -1.244 1.00 0.00 H new ATOM 0 HB THR A 71 -10.341 -3.208 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.369 -3.318 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.561 -1.312 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.405 -0.914 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.757 -0.249 0.509 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.533 -3.431 -2.965 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.789 -3.673 -4.204 1.00 0.00 C ATOM 1068 C ALA A 72 -10.571 -3.243 -5.457 1.00 0.00 C ATOM 1069 O ALA A 72 -9.989 -2.718 -6.409 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.396 -5.152 -4.242 1.00 0.00 C ATOM 0 H ALA A 72 -10.806 -4.289 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.891 -3.056 -4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.840 -5.357 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.773 -5.385 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.295 -5.768 -4.218 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.899 -3.415 -5.451 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.765 -3.065 -6.582 1.00 0.00 C ATOM 1078 C ARG A 73 -12.968 -1.557 -6.758 1.00 0.00 C ATOM 1079 O ARG A 73 -13.025 -1.099 -7.900 1.00 0.00 O ATOM 1080 CB ARG A 73 -14.102 -3.818 -6.437 1.00 0.00 C ATOM 1081 CG ARG A 73 -15.125 -3.530 -7.546 1.00 0.00 C ATOM 1082 CD ARG A 73 -14.601 -3.870 -8.947 1.00 0.00 C ATOM 1083 NE ARG A 73 -15.529 -3.417 -10.000 1.00 0.00 N ATOM 1084 CZ ARG A 73 -15.613 -2.204 -10.525 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -14.862 -1.211 -10.136 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -16.474 -1.963 -11.471 1.00 0.00 N ATOM 0 H ARG A 73 -12.405 -3.804 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.265 -3.379 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.900 -4.889 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.546 -3.560 -5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.032 -4.103 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.401 -2.476 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.627 -3.403 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.454 -4.947 -9.030 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.178 -4.115 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.173 -1.352 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.964 -0.294 -10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.084 -2.708 -11.808 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.539 -1.029 -11.876 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.061 -0.784 -5.674 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.410 0.646 -5.724 1.00 0.00 C ATOM 1102 C ASN A 74 -12.362 1.526 -6.436 1.00 0.00 C ATOM 1103 O ASN A 74 -12.729 2.534 -7.041 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.706 1.158 -4.299 1.00 0.00 C ATOM 1105 CG ASN A 74 -15.192 1.104 -3.982 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -15.925 2.069 -4.161 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -15.700 -0.030 -3.563 1.00 0.00 N ATOM 0 H ASN A 74 -12.896 -1.130 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.307 0.731 -6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.157 0.557 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.349 2.183 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.702 -0.106 -3.387 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.093 -0.836 -3.413 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.082 1.135 -6.413 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.993 1.806 -7.149 1.00 0.00 C ATOM 1116 C PHE A 75 -9.564 1.049 -8.424 1.00 0.00 C ATOM 1117 O PHE A 75 -8.586 1.428 -9.074 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.827 2.091 -6.188 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.211 2.946 -4.995 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.299 4.345 -5.132 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.510 2.345 -3.755 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.692 5.139 -4.038 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.906 3.140 -2.665 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.001 4.535 -2.808 1.00 0.00 C ATOM 0 H PHE A 75 -10.764 0.330 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.367 2.759 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.424 1.144 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.029 2.589 -6.738 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.064 4.810 -6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.435 1.274 -3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.756 6.212 -4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.137 2.678 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.312 5.143 -1.971 1.00 0.00 H new ATOM 1134 N GLN A 76 -10.272 -0.034 -8.777 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.901 -1.002 -9.816 1.00 0.00 C ATOM 1136 C GLN A 76 -8.440 -1.476 -9.675 1.00 0.00 C ATOM 1137 O GLN A 76 -7.614 -1.314 -10.573 1.00 0.00 O ATOM 1138 CB GLN A 76 -10.283 -0.464 -11.208 1.00 0.00 C ATOM 1139 CG GLN A 76 -10.255 -1.572 -12.275 1.00 0.00 C ATOM 1140 CD GLN A 76 -10.665 -1.046 -13.650 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -9.841 -0.701 -14.489 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -11.948 -0.949 -13.938 1.00 0.00 N ATOM 0 H GLN A 76 -11.156 -0.268 -8.326 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.482 -1.914 -9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.279 -0.024 -11.167 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.594 0.332 -11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.253 -1.996 -12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.926 -2.378 -11.979 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.648 -1.232 -13.252 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.241 -0.591 -14.847 1.00 0.00 H new ATOM 1151 N VAL A 77 -8.109 -2.027 -8.507 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.787 -2.548 -8.125 1.00 0.00 C ATOM 1153 C VAL A 77 -6.883 -4.010 -7.662 1.00 0.00 C ATOM 1154 O VAL A 77 -6.200 -4.449 -6.739 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.114 -1.636 -7.085 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.743 -0.269 -7.664 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.971 -1.417 -5.838 1.00 0.00 C ATOM 0 H VAL A 77 -8.792 -2.130 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.145 -2.542 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.207 -2.169 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.271 0.338 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.050 -0.402 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.643 0.232 -8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.442 -0.766 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.915 -0.953 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.168 -2.376 -5.359 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.772 -4.775 -8.306 1.00 0.00 N ATOM 1168 CA VAL A 78 -8.031 -6.193 -7.993 1.00 0.00 C ATOM 1169 C VAL A 78 -6.881 -7.127 -8.417 1.00 0.00 C ATOM 1170 O VAL A 78 -6.767 -8.239 -7.899 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.372 -6.664 -8.591 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.554 -5.895 -7.987 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.436 -6.530 -10.120 1.00 0.00 C ATOM 0 H VAL A 78 -8.344 -4.423 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.096 -6.255 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.440 -7.722 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.484 -6.251 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.580 -6.056 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.439 -4.831 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.406 -6.879 -10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.301 -5.485 -10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.647 -7.131 -10.571 1.00 0.00 H new ATOM 1183 N SER A 79 -6.010 -6.677 -9.329 1.00 0.00 N ATOM 1184 CA SER A 79 -4.741 -7.331 -9.693 1.00 0.00 C ATOM 1185 C SER A 79 -3.729 -7.278 -8.539 1.00 0.00 C ATOM 1186 O SER A 79 -3.757 -6.349 -7.730 1.00 0.00 O ATOM 1187 CB SER A 79 -4.129 -6.658 -10.929 1.00 0.00 C ATOM 1188 OG SER A 79 -5.048 -6.643 -12.014 1.00 0.00 O ATOM 0 H SER A 79 -6.173 -5.818 -9.854 1.00 0.00 H new ATOM 0 HA SER A 79 -4.965 -8.375 -9.913 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.836 -5.637 -10.683 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.223 -7.188 -11.224 1.00 0.00 H new ATOM 0 HG SER A 79 -4.633 -6.207 -12.788 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.816 -8.254 -8.456 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.960 -8.457 -7.272 1.00 0.00 C ATOM 1196 C ILE A 80 -0.491 -8.818 -7.591 1.00 0.00 C ATOM 1197 O ILE A 80 -0.244 -9.599 -8.515 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.576 -9.524 -6.328 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.038 -10.788 -7.081 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.711 -8.908 -5.492 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.416 -11.933 -6.144 1.00 0.00 C ATOM 0 H ILE A 80 -2.647 -8.926 -9.204 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.927 -7.487 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.790 -9.853 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.895 -10.539 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.242 -11.119 -7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.133 -9.669 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.317 -8.088 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.488 -8.530 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.733 -12.795 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.553 -12.206 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.232 -11.617 -5.494 1.00 0.00 H new ATOM 1213 N PRO A 81 0.484 -8.308 -6.805 1.00 0.00 N ATOM 1214 CA PRO A 81 0.351 -7.166 -5.895 1.00 0.00 C ATOM 1215 C PRO A 81 0.138 -5.856 -6.676 1.00 0.00 C ATOM 1216 O PRO A 81 0.663 -5.694 -7.781 1.00 0.00 O ATOM 1217 CB PRO A 81 1.654 -7.116 -5.092 1.00 0.00 C ATOM 1218 CG PRO A 81 2.676 -7.707 -6.060 1.00 0.00 C ATOM 1219 CD PRO A 81 1.869 -8.757 -6.827 1.00 0.00 C ATOM 0 HA PRO A 81 -0.516 -7.279 -5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.912 -6.097 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.585 -7.698 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.084 -6.948 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.518 -8.154 -5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.230 -8.852 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.967 -9.738 -6.362 1.00 0.00 H new ATOM 1227 N THR A 82 -0.593 -4.908 -6.091 1.00 0.00 N ATOM 1228 CA THR A 82 -0.756 -3.537 -6.604 1.00 0.00 C ATOM 1229 C THR A 82 -0.562 -2.545 -5.466 1.00 0.00 C ATOM 1230 O THR A 82 -1.246 -2.621 -4.448 1.00 0.00 O ATOM 1231 CB THR A 82 -2.137 -3.323 -7.247 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.288 -4.153 -8.375 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.351 -1.885 -7.730 1.00 0.00 C ATOM 0 H THR A 82 -1.104 -5.071 -5.224 1.00 0.00 H new ATOM 0 HA THR A 82 -0.004 -3.377 -7.377 1.00 0.00 H new ATOM 0 HB THR A 82 -2.863 -3.558 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.882 -4.900 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.342 -1.794 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.268 -1.201 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.595 -1.635 -8.475 1.00 0.00 H new ATOM 1241 N LEU A 83 0.352 -1.593 -5.638 1.00 0.00 N ATOM 1242 CA LEU A 83 0.632 -0.530 -4.678 1.00 0.00 C ATOM 1243 C LEU A 83 0.129 0.803 -5.237 1.00 0.00 C ATOM 1244 O LEU A 83 0.378 1.126 -6.402 1.00 0.00 O ATOM 1245 CB LEU A 83 2.136 -0.441 -4.368 1.00 0.00 C ATOM 1246 CG LEU A 83 2.777 -1.603 -3.584 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.873 -2.925 -4.351 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.208 -1.188 -3.248 1.00 0.00 C ATOM 0 H LEU A 83 0.935 -1.539 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 83 0.114 -0.757 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.668 -0.341 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.309 0.477 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 83 2.138 -1.781 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.337 -3.681 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.874 -3.254 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.477 -2.783 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.697 -1.987 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.758 -0.999 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.191 -0.281 -2.643 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.521 1.600 -4.392 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.879 2.992 -4.682 1.00 0.00 C ATOM 1262 C ILE A 84 -0.394 3.912 -3.554 1.00 0.00 C ATOM 1263 O ILE A 84 -0.406 3.528 -2.384 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.394 3.118 -4.975 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.681 4.391 -5.797 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.214 3.074 -3.681 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.143 4.554 -6.222 1.00 0.00 C ATOM 0 H ILE A 84 -0.821 1.293 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.369 3.319 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.702 2.261 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.387 5.261 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.055 4.381 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.274 3.165 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.036 2.128 -3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.916 3.898 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.255 5.475 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.440 3.705 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.777 4.599 -5.336 1.00 0.00 H new ATOM 1279 N LEU A 85 0.028 5.129 -3.889 1.00 0.00 N ATOM 1280 CA LEU A 85 0.481 6.132 -2.923 1.00 0.00 C ATOM 1281 C LEU A 85 -0.364 7.402 -3.032 1.00 0.00 C ATOM 1282 O LEU A 85 -0.377 8.045 -4.083 1.00 0.00 O ATOM 1283 CB LEU A 85 1.975 6.400 -3.168 1.00 0.00 C ATOM 1284 CG LEU A 85 2.642 7.344 -2.158 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.792 6.735 -0.770 1.00 0.00 C ATOM 1286 CD2 LEU A 85 4.035 7.709 -2.660 1.00 0.00 C ATOM 0 H LEU A 85 0.066 5.453 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 85 0.355 5.766 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.505 5.448 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.094 6.819 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 85 1.993 8.216 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.270 7.455 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.808 6.478 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.405 5.836 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.515 8.380 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.633 6.804 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.955 8.205 -3.627 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.026 7.780 -1.939 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.749 9.046 -1.802 1.00 0.00 C ATOM 1300 C PHE A 86 -0.874 10.060 -1.055 1.00 0.00 C ATOM 1301 O PHE A 86 -0.339 9.735 0.004 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.085 8.827 -1.074 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.033 7.839 -1.731 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.956 6.472 -1.408 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.027 8.284 -2.624 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.879 5.563 -1.954 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.936 7.370 -3.190 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.867 6.008 -2.848 1.00 0.00 C ATOM 0 H PHE A 86 -1.076 7.200 -1.102 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.972 9.441 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.875 8.484 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.593 9.788 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.185 6.120 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.092 9.332 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.828 4.518 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.686 7.715 -3.887 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.571 5.307 -3.271 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.732 11.289 -1.572 1.00 0.00 N ATOM 1319 CA LYS A 87 0.159 12.317 -0.983 1.00 0.00 C ATOM 1320 C LYS A 87 -0.579 13.347 -0.117 1.00 0.00 C ATOM 1321 O LYS A 87 -0.050 13.804 0.893 1.00 0.00 O ATOM 1322 CB LYS A 87 0.961 12.964 -2.125 1.00 0.00 C ATOM 1323 CG LYS A 87 2.112 13.861 -1.646 1.00 0.00 C ATOM 1324 CD LYS A 87 2.887 14.441 -2.839 1.00 0.00 C ATOM 1325 CE LYS A 87 4.101 15.279 -2.406 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.708 16.562 -1.761 1.00 0.00 N ATOM 0 H LYS A 87 -1.226 11.604 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 87 0.840 11.833 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.367 12.178 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.284 13.556 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.716 14.672 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.788 13.286 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.223 13.626 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.217 15.060 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.710 14.699 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.722 15.489 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.562 17.089 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.150 17.130 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.138 16.364 -0.914 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.814 13.667 -0.494 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.713 14.617 0.185 1.00 0.00 C ATOM 1342 C ASP A 88 -4.186 14.268 -0.121 1.00 0.00 C ATOM 1343 O ASP A 88 -4.915 15.034 -0.759 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.335 16.053 -0.228 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.157 17.132 0.505 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.440 16.970 1.716 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -3.486 18.170 -0.119 1.00 0.00 O ATOM 0 H ASP A 88 -2.243 13.254 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.598 14.546 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.276 16.215 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.478 16.165 -1.303 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.584 13.030 0.202 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.901 12.461 -0.137 1.00 0.00 C ATOM 1354 C GLY A 89 -6.138 12.250 -1.643 1.00 0.00 C ATOM 1355 O GLY A 89 -7.278 12.094 -2.079 1.00 0.00 O ATOM 0 H GLY A 89 -3.989 12.381 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.011 11.504 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.678 13.120 0.251 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.063 12.281 -2.436 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.043 12.179 -3.899 1.00 0.00 C ATOM 1361 C GLN A 90 -3.854 11.315 -4.365 1.00 0.00 C ATOM 1362 O GLN A 90 -2.764 11.453 -3.794 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.012 13.591 -4.514 1.00 0.00 C ATOM 1364 CG GLN A 90 -3.780 14.437 -4.139 1.00 0.00 C ATOM 1365 CD GLN A 90 -4.063 15.930 -4.282 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -3.804 16.550 -5.306 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -4.620 16.560 -3.269 1.00 0.00 N ATOM 0 H GLN A 90 -4.125 12.384 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.950 11.682 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.055 13.499 -5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.910 14.126 -4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.486 14.218 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.940 14.162 -4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.840 16.053 -2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.832 17.555 -3.342 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.033 10.413 -5.351 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.003 9.461 -5.761 1.00 0.00 C ATOM 1378 C PRO A 91 -1.900 10.112 -6.611 1.00 0.00 C ATOM 1379 O PRO A 91 -2.162 10.979 -7.449 1.00 0.00 O ATOM 1380 CB PRO A 91 -3.746 8.354 -6.511 1.00 0.00 C ATOM 1381 CG PRO A 91 -4.932 9.093 -7.128 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.274 10.140 -6.069 1.00 0.00 C ATOM 0 HA PRO A 91 -2.468 9.064 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.118 7.891 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.071 7.559 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.669 9.553 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.770 8.423 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.665 11.047 -6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.043 9.771 -5.391 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.659 9.664 -6.400 1.00 0.00 N ATOM 1391 CA VAL A 92 0.568 10.191 -7.035 1.00 0.00 C ATOM 1392 C VAL A 92 1.426 9.087 -7.675 1.00 0.00 C ATOM 1393 O VAL A 92 2.085 9.339 -8.687 1.00 0.00 O ATOM 1394 CB VAL A 92 1.368 11.006 -5.997 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.707 11.535 -6.527 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.555 12.230 -5.547 1.00 0.00 C ATOM 0 H VAL A 92 -0.466 8.895 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 92 0.273 10.845 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 92 1.565 10.314 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.212 12.098 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.333 10.697 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.528 12.187 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.128 12.798 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.341 12.861 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.381 11.900 -5.098 1.00 0.00 H new ATOM 1406 N LYS A 93 1.371 7.854 -7.152 1.00 0.00 N ATOM 1407 CA LYS A 93 2.009 6.655 -7.735 1.00 0.00 C ATOM 1408 C LYS A 93 1.036 5.477 -7.707 1.00 0.00 C ATOM 1409 O LYS A 93 0.297 5.321 -6.737 1.00 0.00 O ATOM 1410 CB LYS A 93 3.304 6.285 -6.980 1.00 0.00 C ATOM 1411 CG LYS A 93 4.520 7.171 -7.290 1.00 0.00 C ATOM 1412 CD LYS A 93 5.170 6.793 -8.629 1.00 0.00 C ATOM 1413 CE LYS A 93 6.465 7.581 -8.839 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.204 7.088 -10.028 1.00 0.00 N ATOM 0 H LYS A 93 0.868 7.653 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 93 2.272 6.883 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.106 6.330 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.559 5.251 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.212 8.216 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.254 7.076 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.381 5.724 -8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.478 6.996 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.234 8.639 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.095 7.494 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.918 7.790 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.674 6.190 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.538 6.938 -10.813 1.00 0.00 H new ATOM 1428 N ARG A 94 1.057 4.656 -8.759 1.00 0.00 N ATOM 1429 CA ARG A 94 0.253 3.433 -8.946 1.00 0.00 C ATOM 1430 C ARG A 94 1.061 2.403 -9.750 1.00 0.00 C ATOM 1431 O ARG A 94 1.355 2.644 -10.921 1.00 0.00 O ATOM 1432 CB ARG A 94 -1.061 3.824 -9.653 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.987 2.631 -9.931 1.00 0.00 C ATOM 1434 CD ARG A 94 -3.262 3.097 -10.648 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.993 1.948 -11.217 1.00 0.00 N ATOM 1436 CZ ARG A 94 -5.199 1.506 -10.911 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.972 2.099 -10.047 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -5.642 0.427 -11.483 1.00 0.00 N ATOM 0 H ARG A 94 1.671 4.832 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 94 0.008 2.972 -7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.593 4.550 -9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.824 4.317 -10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.467 1.894 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.248 2.140 -8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.904 3.631 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.003 3.798 -11.441 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.501 1.426 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.653 2.944 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.896 1.719 -9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.060 -0.068 -12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.572 0.074 -11.256 1.00 0.00 H new ATOM 1452 N ILE A 95 1.435 1.281 -9.131 1.00 0.00 N ATOM 1453 CA ILE A 95 2.268 0.223 -9.718 1.00 0.00 C ATOM 1454 C ILE A 95 1.763 -1.180 -9.405 1.00 0.00 C ATOM 1455 O ILE A 95 1.203 -1.435 -8.341 1.00 0.00 O ATOM 1456 CB ILE A 95 3.743 0.365 -9.285 1.00 0.00 C ATOM 1457 CG1 ILE A 95 3.943 0.384 -7.752 1.00 0.00 C ATOM 1458 CG2 ILE A 95 4.385 1.584 -9.968 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.411 0.417 -7.304 1.00 0.00 C ATOM 0 H ILE A 95 1.157 1.074 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 95 2.199 0.355 -10.798 1.00 0.00 H new ATOM 0 HB ILE A 95 4.258 -0.534 -9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.431 1.255 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.465 -0.498 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.425 1.672 -9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.343 1.459 -11.050 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.843 2.487 -9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.459 0.429 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.926 -0.467 -7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.892 1.313 -7.698 1.00 0.00 H new ATOM 1471 N VAL A 96 1.992 -2.095 -10.346 1.00 0.00 N ATOM 1472 CA VAL A 96 1.594 -3.497 -10.283 1.00 0.00 C ATOM 1473 C VAL A 96 2.810 -4.425 -10.406 1.00 0.00 C ATOM 1474 O VAL A 96 3.775 -4.110 -11.109 1.00 0.00 O ATOM 1475 CB VAL A 96 0.517 -3.795 -11.337 1.00 0.00 C ATOM 1476 CG1 VAL A 96 -0.679 -2.838 -11.252 1.00 0.00 C ATOM 1477 CG2 VAL A 96 1.020 -3.788 -12.787 1.00 0.00 C ATOM 0 H VAL A 96 2.482 -1.867 -11.211 1.00 0.00 H new ATOM 0 HA VAL A 96 1.154 -3.693 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 96 0.209 -4.810 -11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.407 -3.097 -12.021 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.143 -2.922 -10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.338 -1.814 -11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.192 -4.008 -13.461 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.431 -2.807 -13.025 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.796 -4.544 -12.907 1.00 0.00 H new ATOM 1487 N GLY A 97 2.777 -5.566 -9.715 1.00 0.00 N ATOM 1488 CA GLY A 97 3.912 -6.489 -9.593 1.00 0.00 C ATOM 1489 C GLY A 97 4.938 -6.064 -8.530 1.00 0.00 C ATOM 1490 O GLY A 97 4.978 -4.911 -8.092 1.00 0.00 O ATOM 0 H GLY A 97 1.946 -5.882 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.537 -7.483 -9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.412 -6.567 -10.558 1.00 0.00 H new ATOM 1494 N ALA A 98 5.757 -7.019 -8.082 1.00 0.00 N ATOM 1495 CA ALA A 98 6.749 -6.813 -7.025 1.00 0.00 C ATOM 1496 C ALA A 98 8.038 -6.138 -7.539 1.00 0.00 C ATOM 1497 O ALA A 98 8.497 -6.413 -8.652 1.00 0.00 O ATOM 1498 CB ALA A 98 7.043 -8.164 -6.361 1.00 0.00 C ATOM 0 H ALA A 98 5.749 -7.971 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 98 6.336 -6.123 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.781 -8.028 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.125 -8.567 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.433 -8.858 -7.106 1.00 0.00 H new ATOM 1504 N LYS A 99 8.651 -5.296 -6.693 1.00 0.00 N ATOM 1505 CA LYS A 99 9.998 -4.718 -6.874 1.00 0.00 C ATOM 1506 C LYS A 99 10.827 -4.903 -5.594 1.00 0.00 C ATOM 1507 O LYS A 99 10.258 -4.992 -4.504 1.00 0.00 O ATOM 1508 CB LYS A 99 9.921 -3.235 -7.305 1.00 0.00 C ATOM 1509 CG LYS A 99 9.060 -3.018 -8.561 1.00 0.00 C ATOM 1510 CD LYS A 99 9.181 -1.596 -9.130 1.00 0.00 C ATOM 1511 CE LYS A 99 8.260 -1.478 -10.354 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.509 -0.241 -11.143 1.00 0.00 N ATOM 0 H LYS A 99 8.207 -4.985 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 99 10.501 -5.251 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.512 -2.645 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.929 -2.864 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.355 -3.736 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.016 -3.220 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.902 -0.861 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.213 -1.388 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.402 -2.348 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.221 -1.491 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.947 -0.268 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.235 0.590 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.519 -0.179 -11.382 1.00 0.00 H new ATOM 1526 N GLY A 100 12.157 -4.959 -5.708 1.00 0.00 N ATOM 1527 CA GLY A 100 13.062 -5.042 -4.560 1.00 0.00 C ATOM 1528 C GLY A 100 13.162 -3.702 -3.835 1.00 0.00 C ATOM 1529 O GLY A 100 12.775 -2.665 -4.378 1.00 0.00 O ATOM 0 H GLY A 100 12.639 -4.948 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.707 -5.806 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.052 -5.351 -4.896 1.00 0.00 H new ATOM 1533 N LYS A 101 13.708 -3.708 -2.617 1.00 0.00 N ATOM 1534 CA LYS A 101 13.775 -2.534 -1.719 1.00 0.00 C ATOM 1535 C LYS A 101 14.371 -1.293 -2.388 1.00 0.00 C ATOM 1536 O LYS A 101 13.891 -0.189 -2.150 1.00 0.00 O ATOM 1537 CB LYS A 101 14.551 -2.918 -0.439 1.00 0.00 C ATOM 1538 CG LYS A 101 14.063 -2.277 0.871 1.00 0.00 C ATOM 1539 CD LYS A 101 14.131 -0.744 0.914 1.00 0.00 C ATOM 1540 CE LYS A 101 13.951 -0.173 2.327 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.070 -0.545 3.233 1.00 0.00 N ATOM 0 H LYS A 101 14.128 -4.544 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 101 12.754 -2.255 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.510 -4.001 -0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.598 -2.652 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.032 -2.584 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.657 -2.674 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.092 -0.418 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.360 -0.334 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.878 0.913 2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.012 -0.535 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.149 0.159 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.886 -1.482 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.959 -0.573 2.694 1.00 0.00 H new ATOM 1555 N ALA A 102 15.350 -1.470 -3.278 1.00 0.00 N ATOM 1556 CA ALA A 102 15.986 -0.353 -3.972 1.00 0.00 C ATOM 1557 C ALA A 102 14.997 0.349 -4.920 1.00 0.00 C ATOM 1558 O ALA A 102 14.751 1.546 -4.785 1.00 0.00 O ATOM 1559 CB ALA A 102 17.236 -0.864 -4.699 1.00 0.00 C ATOM 0 H ALA A 102 15.720 -2.385 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 102 16.295 0.402 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.718 -0.037 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.930 -1.289 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.950 -1.630 -5.420 1.00 0.00 H new ATOM 1565 N ALA A 103 14.358 -0.398 -5.824 1.00 0.00 N ATOM 1566 CA ALA A 103 13.423 0.158 -6.802 1.00 0.00 C ATOM 1567 C ALA A 103 12.058 0.529 -6.189 1.00 0.00 C ATOM 1568 O ALA A 103 11.480 1.541 -6.590 1.00 0.00 O ATOM 1569 CB ALA A 103 13.294 -0.838 -7.960 1.00 0.00 C ATOM 0 H ALA A 103 14.476 -1.409 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 103 13.819 1.103 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.601 -0.444 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.271 -0.990 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.919 -1.789 -7.582 1.00 0.00 H new ATOM 1575 N LEU A 104 11.568 -0.203 -5.177 1.00 0.00 N ATOM 1576 CA LEU A 104 10.371 0.204 -4.434 1.00 0.00 C ATOM 1577 C LEU A 104 10.633 1.547 -3.726 1.00 0.00 C ATOM 1578 O LEU A 104 9.840 2.480 -3.861 1.00 0.00 O ATOM 1579 CB LEU A 104 9.960 -0.918 -3.454 1.00 0.00 C ATOM 1580 CG LEU A 104 8.444 -1.092 -3.204 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.705 0.218 -2.947 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.785 -1.818 -4.376 1.00 0.00 C ATOM 0 H LEU A 104 11.983 -1.078 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 104 9.534 0.357 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.355 -1.862 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.445 -0.729 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 104 8.366 -1.686 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.648 0.013 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.123 0.705 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.816 0.874 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.719 -1.931 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.928 -1.240 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.238 -2.802 -4.495 1.00 0.00 H new ATOM 1594 N LEU A 105 11.793 1.710 -3.070 1.00 0.00 N ATOM 1595 CA LEU A 105 12.161 3.007 -2.508 1.00 0.00 C ATOM 1596 C LEU A 105 12.483 4.055 -3.576 1.00 0.00 C ATOM 1597 O LEU A 105 12.278 5.208 -3.260 1.00 0.00 O ATOM 1598 CB LEU A 105 13.239 2.911 -1.413 1.00 0.00 C ATOM 1599 CG LEU A 105 13.480 4.229 -0.621 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.224 4.793 0.053 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.485 3.924 0.489 1.00 0.00 C ATOM 0 H LEU A 105 12.478 0.969 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 105 11.265 3.368 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.955 2.128 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.178 2.602 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 105 13.826 4.971 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.477 5.711 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.470 5.008 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.831 4.062 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.677 4.829 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.079 3.155 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.417 3.570 0.049 1.00 0.00 H new ATOM 1613 N ARG A 106 12.893 3.765 -4.821 1.00 0.00 N ATOM 1614 CA ARG A 106 12.918 4.800 -5.894 1.00 0.00 C ATOM 1615 C ARG A 106 11.511 5.349 -6.181 1.00 0.00 C ATOM 1616 O ARG A 106 11.271 6.566 -6.139 1.00 0.00 O ATOM 1617 CB ARG A 106 13.547 4.259 -7.194 1.00 0.00 C ATOM 1618 CG ARG A 106 15.063 4.044 -7.097 1.00 0.00 C ATOM 1619 CD ARG A 106 15.626 3.461 -8.397 1.00 0.00 C ATOM 1620 NE ARG A 106 17.078 3.218 -8.291 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.862 2.699 -9.220 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.410 2.331 -10.386 1.00 0.00 N ATOM 1623 NH2 ARG A 106 19.135 2.538 -8.992 1.00 0.00 N ATOM 0 H ARG A 106 13.209 2.841 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 106 13.540 5.616 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.070 3.314 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.338 4.955 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.554 4.992 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.285 3.372 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.115 2.527 -8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.429 4.147 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 106 17.522 3.477 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.420 2.440 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.046 1.934 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.531 2.813 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.735 2.137 -9.712 1.00 0.00 H new ATOM 1637 N GLU A 107 10.569 4.430 -6.404 1.00 0.00 N ATOM 1638 CA GLU A 107 9.160 4.746 -6.684 1.00 0.00 C ATOM 1639 C GLU A 107 8.530 5.582 -5.559 1.00 0.00 C ATOM 1640 O GLU A 107 7.782 6.519 -5.835 1.00 0.00 O ATOM 1641 CB GLU A 107 8.354 3.460 -6.909 1.00 0.00 C ATOM 1642 CG GLU A 107 8.789 2.699 -8.169 1.00 0.00 C ATOM 1643 CD GLU A 107 8.188 3.221 -9.485 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.920 4.440 -9.621 1.00 0.00 O ATOM 1645 OE2 GLU A 107 8.014 2.385 -10.406 1.00 0.00 O ATOM 0 H GLU A 107 10.763 3.429 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 107 9.133 5.344 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.465 2.810 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.296 3.709 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.876 2.740 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.516 1.650 -8.054 1.00 0.00 H new ATOM 1652 N LEU A 108 8.889 5.300 -4.300 1.00 0.00 N ATOM 1653 CA LEU A 108 8.494 6.111 -3.142 1.00 0.00 C ATOM 1654 C LEU A 108 9.392 7.336 -2.907 1.00 0.00 C ATOM 1655 O LEU A 108 8.901 8.340 -2.401 1.00 0.00 O ATOM 1656 CB LEU A 108 8.460 5.231 -1.888 1.00 0.00 C ATOM 1657 CG LEU A 108 7.499 4.034 -1.968 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.624 3.254 -0.669 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.041 4.437 -2.171 1.00 0.00 C ATOM 0 H LEU A 108 9.467 4.496 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 108 7.501 6.505 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.466 4.859 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.179 5.849 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 108 7.778 3.439 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.953 2.396 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.651 2.908 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.358 3.898 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.420 3.543 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.717 5.061 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.944 4.996 -3.102 1.00 0.00 H new ATOM 1671 N SER A 109 10.671 7.304 -3.294 1.00 0.00 N ATOM 1672 CA SER A 109 11.624 8.423 -3.163 1.00 0.00 C ATOM 1673 C SER A 109 11.163 9.623 -3.990 1.00 0.00 C ATOM 1674 O SER A 109 11.432 10.768 -3.628 1.00 0.00 O ATOM 1675 CB SER A 109 13.048 8.114 -3.646 1.00 0.00 C ATOM 1676 OG SER A 109 13.730 7.293 -2.728 1.00 0.00 O ATOM 0 H SER A 109 11.089 6.477 -3.720 1.00 0.00 H new ATOM 0 HA SER A 109 11.646 8.621 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.006 7.621 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.598 9.045 -3.784 1.00 0.00 H new ATOM 0 HG SER A 109 13.617 6.353 -2.983 1.00 0.00 H new ATOM 1682 N ASP A 110 10.422 9.365 -5.077 1.00 0.00 N ATOM 1683 CA ASP A 110 9.701 10.412 -5.822 1.00 0.00 C ATOM 1684 C ASP A 110 8.783 11.300 -4.936 1.00 0.00 C ATOM 1685 O ASP A 110 8.566 12.472 -5.251 1.00 0.00 O ATOM 1686 CB ASP A 110 8.889 9.742 -6.938 1.00 0.00 C ATOM 1687 CG ASP A 110 8.320 10.768 -7.931 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.115 11.412 -8.655 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.076 10.897 -8.021 1.00 0.00 O ATOM 0 H ASP A 110 10.305 8.429 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 110 10.446 11.093 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.522 9.033 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.071 9.171 -6.499 1.00 0.00 H new ATOM 1694 N VAL A 111 8.295 10.773 -3.802 1.00 0.00 N ATOM 1695 CA VAL A 111 7.559 11.487 -2.736 1.00 0.00 C ATOM 1696 C VAL A 111 8.405 11.680 -1.462 1.00 0.00 C ATOM 1697 O VAL A 111 8.173 12.631 -0.713 1.00 0.00 O ATOM 1698 CB VAL A 111 6.240 10.732 -2.450 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.501 11.196 -1.189 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.283 10.930 -3.638 1.00 0.00 C ATOM 0 H VAL A 111 8.407 9.782 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 111 7.328 12.494 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 111 6.524 9.691 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.588 10.613 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.142 11.054 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.247 12.252 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.350 10.401 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.078 11.993 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.742 10.537 -4.545 1.00 0.00 H new ATOM 1710 N VAL A 112 9.414 10.830 -1.232 1.00 0.00 N ATOM 1711 CA VAL A 112 10.301 10.818 -0.053 1.00 0.00 C ATOM 1712 C VAL A 112 11.773 11.072 -0.449 1.00 0.00 C ATOM 1713 O VAL A 112 12.580 10.140 -0.451 1.00 0.00 O ATOM 1714 CB VAL A 112 10.126 9.496 0.749 1.00 0.00 C ATOM 1715 CG1 VAL A 112 10.862 9.553 2.097 1.00 0.00 C ATOM 1716 CG2 VAL A 112 8.651 9.208 1.071 1.00 0.00 C ATOM 0 H VAL A 112 9.649 10.092 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 112 10.011 11.639 0.602 1.00 0.00 H new ATOM 0 HB VAL A 112 10.538 8.714 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.718 8.613 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.926 9.713 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.464 10.374 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.576 8.276 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.243 10.024 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.087 9.120 0.143 1.00 0.00 H new