USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 438 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 15 GLN : amide:sc= -2.17! X(o=-2.3!,f=-2.2) USER MOD Set 1.2: A 16 ASN : amide:sc= -0.146 X(o=-2.3,f=-2.2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.04! C(o=-3!,f=-8.4!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0489 USER MOD Single : A 26 THR OG1 : rot 93:sc= 1.09 USER MOD Single : A 40 THR OG1 : rot 24:sc= 1.18 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.087) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 72 SER OG : rot -42:sc= -0.0388 USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -6.836 6.989 -2.403 1.00 0.38 N ATOM 112 CA SER A 10 -7.674 5.837 -2.674 1.00 0.39 C ATOM 113 C SER A 10 -7.330 4.719 -1.702 1.00 0.28 C ATOM 114 O SER A 10 -6.206 4.641 -1.209 1.00 0.29 O ATOM 115 CB SER A 10 -7.479 5.363 -4.118 1.00 0.52 C ATOM 116 OG SER A 10 -8.344 4.281 -4.431 1.00 0.96 O ATOM 0 HA SER A 10 -8.719 6.118 -2.543 1.00 0.39 H new ATOM 0 HB2 SER A 10 -7.667 6.190 -4.802 1.00 0.52 H new ATOM 0 HB3 SER A 10 -6.443 5.057 -4.265 1.00 0.52 H new ATOM 0 HG SER A 10 -8.197 4.003 -5.359 1.00 0.96 H new ATOM 122 N ILE A 11 -8.305 3.881 -1.402 1.00 0.32 N ATOM 123 CA ILE A 11 -8.090 2.752 -0.521 1.00 0.27 C ATOM 124 C ILE A 11 -7.798 1.490 -1.315 1.00 0.20 C ATOM 125 O ILE A 11 -8.436 1.202 -2.332 1.00 0.26 O ATOM 126 CB ILE A 11 -9.300 2.514 0.407 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.461 3.703 1.344 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.144 1.226 1.208 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.562 3.522 2.360 1.00 0.96 C ATOM 0 H ILE A 11 -9.257 3.963 -1.758 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.225 2.992 0.098 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.193 2.411 -0.210 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.520 3.874 1.866 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.665 4.596 0.754 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.014 1.090 1.851 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.061 0.381 0.525 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.245 1.286 1.822 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.621 4.406 2.994 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.512 3.381 1.845 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.349 2.648 2.975 1.00 0.96 H new ATOM 141 N GLN A 12 -6.826 0.751 -0.835 1.00 0.13 N ATOM 142 CA GLN A 12 -6.457 -0.521 -1.424 1.00 0.10 C ATOM 143 C GLN A 12 -6.326 -1.576 -0.339 1.00 0.11 C ATOM 144 O GLN A 12 -6.241 -1.257 0.849 1.00 0.17 O ATOM 145 CB GLN A 12 -5.154 -0.435 -2.236 1.00 0.12 C ATOM 146 CG GLN A 12 -4.136 0.569 -1.721 1.00 0.22 C ATOM 147 CD GLN A 12 -4.320 1.966 -2.285 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.104 2.949 -1.590 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.656 2.066 -3.563 1.00 0.35 N ATOM 0 H GLN A 12 -6.266 1.012 -0.024 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.251 -0.800 -2.117 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.690 -1.421 -2.255 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.403 -0.180 -3.266 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.201 0.614 -0.634 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.134 0.216 -1.966 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -4.829 1.224 -4.112 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.742 2.985 -3.997 1.00 0.35 H new ATOM 158 N CYS A 13 -6.339 -2.827 -0.751 1.00 0.12 N ATOM 159 CA CYS A 13 -6.203 -3.936 0.167 1.00 0.16 C ATOM 160 C CYS A 13 -4.816 -4.547 0.026 1.00 0.13 C ATOM 161 O CYS A 13 -4.552 -5.312 -0.902 1.00 0.15 O ATOM 162 CB CYS A 13 -7.294 -4.979 -0.092 1.00 0.25 C ATOM 163 SG CYS A 13 -7.162 -6.461 0.961 1.00 0.34 S ATOM 0 H CYS A 13 -6.444 -3.102 -1.728 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.322 -3.576 1.189 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.269 -4.518 0.067 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.252 -5.283 -1.138 1.00 0.25 H new ATOM 168 N CYS A 14 -3.929 -4.176 0.938 1.00 0.12 N ATOM 169 CA CYS A 14 -2.538 -4.601 0.879 1.00 0.12 C ATOM 170 C CYS A 14 -2.345 -5.945 1.541 1.00 0.15 C ATOM 171 O CYS A 14 -2.789 -6.167 2.665 1.00 0.19 O ATOM 172 CB CYS A 14 -1.625 -3.581 1.555 1.00 0.14 C ATOM 173 SG CYS A 14 -1.313 -2.070 0.587 1.00 0.13 S ATOM 0 H CYS A 14 -4.150 -3.577 1.733 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.275 -4.681 -0.176 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.066 -3.298 2.511 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.670 -4.059 1.773 1.00 0.14 H new ATOM 178 N GLN A 15 -1.673 -6.831 0.829 1.00 0.15 N ATOM 179 CA GLN A 15 -1.354 -8.149 1.336 1.00 0.16 C ATOM 180 C GLN A 15 -0.169 -8.059 2.306 1.00 0.18 C ATOM 181 O GLN A 15 -0.076 -8.824 3.266 1.00 0.23 O ATOM 182 CB GLN A 15 -1.101 -9.092 0.140 1.00 0.17 C ATOM 183 CG GLN A 15 0.292 -9.704 0.040 1.00 0.23 C ATOM 184 CD GLN A 15 0.517 -10.836 1.028 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.639 -11.072 1.476 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.543 -11.555 1.366 1.00 0.33 N ATOM 0 H GLN A 15 -1.334 -6.655 -0.117 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.184 -8.564 1.907 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.828 -9.903 0.185 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.298 -8.539 -0.778 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.447 -10.077 -0.972 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.037 -8.927 0.211 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.458 -11.330 0.975 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.445 -12.333 2.018 1.00 0.33 H new ATOM 195 N ASN A 16 0.714 -7.099 2.062 1.00 0.17 N ATOM 196 CA ASN A 16 1.836 -6.836 2.951 1.00 0.21 C ATOM 197 C ASN A 16 1.976 -5.349 3.237 1.00 0.21 C ATOM 198 O ASN A 16 2.544 -4.611 2.435 1.00 0.40 O ATOM 199 CB ASN A 16 3.141 -7.326 2.337 1.00 0.29 C ATOM 200 CG ASN A 16 3.502 -8.738 2.742 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.133 -9.205 3.819 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.248 -9.419 1.888 1.00 0.75 N ATOM 0 H ASN A 16 0.673 -6.485 1.248 1.00 0.17 H new ATOM 0 HA ASN A 16 1.636 -7.371 3.880 1.00 0.21 H new ATOM 0 HB2 ASN A 16 3.064 -7.276 1.251 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.947 -6.654 2.631 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.540 -10.370 2.112 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.531 -8.993 1.006 1.00 0.75 H new ATOM 209 N VAL A 17 1.466 -4.910 4.373 1.00 0.16 N ATOM 210 CA VAL A 17 1.655 -3.531 4.799 1.00 0.13 C ATOM 211 C VAL A 17 2.928 -3.418 5.622 1.00 0.14 C ATOM 212 O VAL A 17 2.956 -3.765 6.804 1.00 0.18 O ATOM 213 CB VAL A 17 0.463 -3.000 5.621 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.713 -1.562 6.056 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.819 -3.099 4.818 1.00 0.14 C ATOM 0 H VAL A 17 0.920 -5.483 5.016 1.00 0.16 H new ATOM 0 HA VAL A 17 1.730 -2.922 3.898 1.00 0.13 H new ATOM 0 HB VAL A 17 0.358 -3.615 6.515 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.138 -1.204 6.635 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.613 -1.519 6.669 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.844 -0.933 5.175 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.651 -2.720 5.412 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.725 -2.507 3.907 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -1.005 -4.141 4.556 1.00 0.14 H new ATOM 225 N VAL A 18 3.981 -2.940 4.989 1.00 0.12 N ATOM 226 CA VAL A 18 5.288 -2.882 5.617 1.00 0.13 C ATOM 227 C VAL A 18 5.881 -1.482 5.499 1.00 0.12 C ATOM 228 O VAL A 18 5.702 -0.807 4.487 1.00 0.12 O ATOM 229 CB VAL A 18 6.261 -3.906 4.980 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.797 -5.333 5.237 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.408 -3.659 3.486 1.00 0.13 C ATOM 0 H VAL A 18 3.957 -2.584 4.034 1.00 0.12 H new ATOM 0 HA VAL A 18 5.155 -3.130 6.670 1.00 0.13 H new ATOM 0 HB VAL A 18 7.236 -3.773 5.449 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.498 -6.031 4.779 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.754 -5.514 6.311 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.807 -5.477 4.805 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.096 -4.391 3.062 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.435 -3.754 3.004 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.799 -2.655 3.320 1.00 0.13 H new ATOM 241 N PRO A 19 6.556 -1.006 6.552 1.00 0.14 N ATOM 242 CA PRO A 19 7.295 0.252 6.495 1.00 0.15 C ATOM 243 C PRO A 19 8.370 0.220 5.417 1.00 0.12 C ATOM 244 O PRO A 19 9.091 -0.768 5.282 1.00 0.10 O ATOM 245 CB PRO A 19 7.926 0.378 7.883 1.00 0.17 C ATOM 246 CG PRO A 19 7.118 -0.513 8.760 1.00 0.19 C ATOM 247 CD PRO A 19 6.626 -1.631 7.883 1.00 0.17 C ATOM 0 HA PRO A 19 6.650 1.094 6.244 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.973 0.074 7.869 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.899 1.409 8.236 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.720 -0.900 9.582 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.283 0.030 9.203 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.308 -2.481 7.894 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.653 -1.999 8.207 1.00 0.17 H new ATOM 255 N GLY A 20 8.468 1.295 4.646 1.00 0.14 N ATOM 256 CA GLY A 20 9.457 1.364 3.586 1.00 0.13 C ATOM 257 C GLY A 20 10.870 1.399 4.126 1.00 0.14 C ATOM 258 O GLY A 20 11.830 1.189 3.390 1.00 0.18 O ATOM 0 H GLY A 20 7.879 2.123 4.736 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.342 0.503 2.928 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.278 2.253 2.982 1.00 0.13 H new ATOM 262 N ASP A 21 10.986 1.677 5.416 1.00 0.17 N ATOM 263 CA ASP A 21 12.264 1.666 6.112 1.00 0.21 C ATOM 264 C ASP A 21 12.396 0.401 6.953 1.00 0.19 C ATOM 265 O ASP A 21 13.367 0.226 7.688 1.00 0.23 O ATOM 266 CB ASP A 21 12.383 2.901 7.011 1.00 0.31 C ATOM 267 CG ASP A 21 11.320 2.929 8.097 1.00 1.23 C ATOM 268 OD1 ASP A 21 11.681 2.935 9.293 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.119 2.942 7.757 1.00 2.27 O ATOM 0 H ASP A 21 10.194 1.917 6.012 1.00 0.17 H new ATOM 0 HA ASP A 21 13.064 1.684 5.372 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.371 2.918 7.472 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.300 3.801 6.401 1.00 0.31 H new ATOM 274 N SER A 22 11.412 -0.481 6.837 1.00 0.16 N ATOM 275 CA SER A 22 11.433 -1.753 7.544 1.00 0.17 C ATOM 276 C SER A 22 12.348 -2.727 6.827 1.00 0.16 C ATOM 277 O SER A 22 12.601 -2.558 5.638 1.00 0.14 O ATOM 278 CB SER A 22 10.022 -2.345 7.627 1.00 0.18 C ATOM 279 OG SER A 22 10.035 -3.661 8.153 1.00 0.24 O ATOM 0 H SER A 22 10.586 -0.337 6.257 1.00 0.16 H new ATOM 0 HA SER A 22 11.804 -1.580 8.554 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.397 -1.709 8.254 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.573 -2.355 6.634 1.00 0.18 H new ATOM 0 HG SER A 22 9.119 -4.006 8.193 1.00 0.24 H new ATOM 285 N ASP A 23 12.828 -3.741 7.529 1.00 0.20 N ATOM 286 CA ASP A 23 13.663 -4.763 6.903 1.00 0.22 C ATOM 287 C ASP A 23 12.960 -5.333 5.686 1.00 0.20 C ATOM 288 O ASP A 23 13.564 -5.500 4.625 1.00 0.22 O ATOM 289 CB ASP A 23 13.992 -5.889 7.885 1.00 0.29 C ATOM 290 CG ASP A 23 15.137 -5.541 8.811 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.887 -4.909 9.860 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.294 -5.891 8.493 1.00 0.61 O ATOM 0 H ASP A 23 12.658 -3.881 8.525 1.00 0.20 H new ATOM 0 HA ASP A 23 14.598 -4.293 6.597 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.107 -6.118 8.479 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.243 -6.791 7.326 1.00 0.29 H new ATOM 297 N LEU A 24 11.665 -5.584 5.835 1.00 0.20 N ATOM 298 CA LEU A 24 10.860 -6.096 4.741 1.00 0.21 C ATOM 299 C LEU A 24 10.718 -5.049 3.650 1.00 0.17 C ATOM 300 O LEU A 24 11.232 -5.221 2.549 1.00 0.18 O ATOM 301 CB LEU A 24 9.475 -6.517 5.235 1.00 0.26 C ATOM 302 CG LEU A 24 9.288 -8.014 5.481 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.491 -8.796 4.191 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.238 -8.505 6.560 1.00 1.11 C ATOM 0 H LEU A 24 11.153 -5.440 6.705 1.00 0.20 H new ATOM 0 HA LEU A 24 11.367 -6.970 4.332 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.263 -5.985 6.163 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.734 -6.192 4.505 1.00 0.26 H new ATOM 0 HG LEU A 24 8.267 -8.179 5.826 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.354 -9.860 4.385 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.765 -8.466 3.448 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.499 -8.623 3.815 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.088 -9.573 6.719 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.267 -8.326 6.248 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.042 -7.969 7.489 1.00 1.11 H new ATOM 316 N GLY A 25 10.050 -3.949 3.982 1.00 0.14 N ATOM 317 CA GLY A 25 9.747 -2.920 3.003 1.00 0.12 C ATOM 318 C GLY A 25 10.973 -2.405 2.274 1.00 0.12 C ATOM 319 O GLY A 25 10.917 -2.134 1.077 1.00 0.16 O ATOM 0 H GLY A 25 9.710 -3.750 4.923 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.040 -3.318 2.275 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.254 -2.087 3.503 1.00 0.12 H new ATOM 323 N THR A 26 12.085 -2.305 2.983 1.00 0.13 N ATOM 324 CA THR A 26 13.313 -1.787 2.402 1.00 0.16 C ATOM 325 C THR A 26 13.859 -2.760 1.368 1.00 0.20 C ATOM 326 O THR A 26 14.225 -2.364 0.262 1.00 0.24 O ATOM 327 CB THR A 26 14.379 -1.518 3.481 1.00 0.18 C ATOM 328 OG1 THR A 26 13.868 -0.607 4.456 1.00 0.20 O ATOM 329 CG2 THR A 26 15.643 -0.936 2.882 1.00 0.23 C ATOM 0 H THR A 26 12.163 -2.576 3.963 1.00 0.13 H new ATOM 0 HA THR A 26 13.075 -0.840 1.917 1.00 0.16 H new ATOM 0 HB THR A 26 14.622 -2.473 3.947 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.466 -1.110 5.195 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.372 -0.759 3.673 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.057 -1.636 2.156 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.410 0.006 2.386 1.00 0.23 H new ATOM 337 N LEU A 27 13.882 -4.036 1.722 1.00 0.21 N ATOM 338 CA LEU A 27 14.344 -5.066 0.810 1.00 0.28 C ATOM 339 C LEU A 27 13.379 -5.161 -0.368 1.00 0.29 C ATOM 340 O LEU A 27 13.790 -5.352 -1.513 1.00 0.34 O ATOM 341 CB LEU A 27 14.447 -6.411 1.549 1.00 0.33 C ATOM 342 CG LEU A 27 15.399 -7.455 0.942 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.842 -8.036 -0.349 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.766 -6.840 0.696 1.00 1.00 C ATOM 0 H LEU A 27 13.586 -4.381 2.635 1.00 0.21 H new ATOM 0 HA LEU A 27 15.334 -4.812 0.433 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.764 -6.214 2.573 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.450 -6.848 1.602 1.00 0.33 H new ATOM 0 HG LEU A 27 15.498 -8.271 1.658 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.541 -8.770 -0.749 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.885 -8.518 -0.148 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.699 -7.237 -1.076 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.430 -7.590 0.266 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.669 -6.002 0.005 1.00 1.00 H new ATOM 0 HD23 LEU A 27 17.181 -6.486 1.640 1.00 1.00 H new ATOM 356 N LEU A 28 12.098 -4.977 -0.076 1.00 0.27 N ATOM 357 CA LEU A 28 11.058 -5.094 -1.086 1.00 0.31 C ATOM 358 C LEU A 28 11.168 -3.977 -2.116 1.00 0.32 C ATOM 359 O LEU A 28 11.112 -4.229 -3.318 1.00 0.37 O ATOM 360 CB LEU A 28 9.661 -5.079 -0.452 1.00 0.31 C ATOM 361 CG LEU A 28 9.379 -6.184 0.575 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.886 -6.300 0.834 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.953 -7.514 0.119 1.00 0.37 C ATOM 0 H LEU A 28 11.755 -4.745 0.856 1.00 0.27 H new ATOM 0 HA LEU A 28 11.201 -6.051 -1.588 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.513 -4.114 0.032 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.921 -5.153 -1.249 1.00 0.31 H new ATOM 0 HG LEU A 28 9.871 -5.913 1.509 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.704 -7.088 1.565 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.509 -5.353 1.220 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.373 -6.542 -0.097 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.738 -8.278 0.866 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.501 -7.798 -0.831 1.00 0.37 H new ATOM 0 HD23 LEU A 28 11.032 -7.421 -0.005 1.00 0.37 H new ATOM 375 N LEU A 29 11.339 -2.743 -1.656 1.00 0.30 N ATOM 376 CA LEU A 29 11.424 -1.623 -2.576 1.00 0.32 C ATOM 377 C LEU A 29 12.790 -1.559 -3.236 1.00 0.36 C ATOM 378 O LEU A 29 12.937 -0.987 -4.312 1.00 0.41 O ATOM 379 CB LEU A 29 11.062 -0.294 -1.890 1.00 0.30 C ATOM 380 CG LEU A 29 11.928 0.171 -0.707 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.290 0.679 -1.162 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.200 1.264 0.048 1.00 0.31 C ATOM 0 H LEU A 29 11.420 -2.498 -0.669 1.00 0.30 H new ATOM 0 HA LEU A 29 10.686 -1.787 -3.361 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.085 0.489 -2.648 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.032 -0.369 -1.540 1.00 0.30 H new ATOM 0 HG LEU A 29 12.098 -0.688 -0.057 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.868 0.997 -0.294 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.822 -0.119 -1.680 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.156 1.523 -1.838 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.811 1.596 0.887 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.013 2.105 -0.620 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.251 0.879 0.420 1.00 0.31 H new ATOM 394 N ASP A 30 13.783 -2.150 -2.593 1.00 0.34 N ATOM 395 CA ASP A 30 15.104 -2.284 -3.193 1.00 0.39 C ATOM 396 C ASP A 30 15.021 -3.249 -4.365 1.00 0.43 C ATOM 397 O ASP A 30 15.667 -3.066 -5.397 1.00 0.49 O ATOM 398 CB ASP A 30 16.112 -2.796 -2.164 1.00 0.41 C ATOM 399 CG ASP A 30 17.537 -2.765 -2.674 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.912 -3.659 -3.460 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.290 -1.845 -2.299 1.00 0.63 O ATOM 0 H ASP A 30 13.702 -2.545 -1.656 1.00 0.34 H new ATOM 0 HA ASP A 30 15.440 -1.308 -3.542 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.041 -2.191 -1.260 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.853 -3.817 -1.885 1.00 0.41 H new ATOM 406 N GLU A 31 14.177 -4.258 -4.194 1.00 0.43 N ATOM 407 CA GLU A 31 13.938 -5.268 -5.199 1.00 0.49 C ATOM 408 C GLU A 31 13.198 -4.649 -6.371 1.00 0.51 C ATOM 409 O GLU A 31 13.394 -5.017 -7.529 1.00 0.62 O ATOM 410 CB GLU A 31 13.093 -6.374 -4.574 1.00 0.52 C ATOM 411 CG GLU A 31 13.177 -7.689 -5.299 1.00 0.97 C ATOM 412 CD GLU A 31 12.275 -8.745 -4.689 1.00 1.46 C ATOM 413 OE1 GLU A 31 11.045 -8.682 -4.905 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.789 -9.644 -3.991 1.00 2.07 O ATOM 0 H GLU A 31 13.636 -4.394 -3.340 1.00 0.43 H new ATOM 0 HA GLU A 31 14.881 -5.679 -5.558 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.409 -6.519 -3.541 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.052 -6.051 -4.547 1.00 0.52 H new ATOM 0 HG2 GLU A 31 12.905 -7.542 -6.344 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.208 -8.043 -5.285 1.00 0.97 H new ATOM 421 N LEU A 32 12.361 -3.685 -6.043 1.00 0.52 N ATOM 422 CA LEU A 32 11.506 -3.021 -7.008 1.00 0.58 C ATOM 423 C LEU A 32 12.166 -1.775 -7.589 1.00 0.61 C ATOM 424 O LEU A 32 11.681 -1.195 -8.560 1.00 0.71 O ATOM 425 CB LEU A 32 10.194 -2.656 -6.321 1.00 0.56 C ATOM 426 CG LEU A 32 9.264 -3.834 -6.034 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.042 -3.367 -5.265 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.847 -4.517 -7.329 1.00 0.64 C ATOM 0 H LEU A 32 12.254 -3.337 -5.090 1.00 0.52 H new ATOM 0 HA LEU A 32 11.322 -3.699 -7.841 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.421 -2.155 -5.380 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.663 -1.937 -6.945 1.00 0.56 H new ATOM 0 HG LEU A 32 9.804 -4.557 -5.423 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.389 -4.217 -5.068 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.355 -2.923 -4.320 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.503 -2.625 -5.854 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.185 -5.353 -7.103 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.325 -3.803 -7.965 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.732 -4.885 -7.848 1.00 0.64 H new ATOM 440 N GLY A 33 13.277 -1.373 -6.981 1.00 0.57 N ATOM 441 CA GLY A 33 14.014 -0.212 -7.445 1.00 0.62 C ATOM 442 C GLY A 33 13.248 1.082 -7.247 1.00 0.63 C ATOM 443 O GLY A 33 13.342 1.995 -8.066 1.00 0.75 O ATOM 0 H GLY A 33 13.683 -1.836 -6.168 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.964 -0.153 -6.913 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.248 -0.333 -8.503 1.00 0.62 H new ATOM 447 N ILE A 34 12.500 1.165 -6.156 1.00 0.54 N ATOM 448 CA ILE A 34 11.660 2.328 -5.894 1.00 0.58 C ATOM 449 C ILE A 34 12.492 3.511 -5.418 1.00 0.65 C ATOM 450 O ILE A 34 13.298 3.385 -4.494 1.00 0.68 O ATOM 451 CB ILE A 34 10.577 2.026 -4.832 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.730 0.827 -5.265 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.693 3.248 -4.605 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.654 0.452 -4.270 1.00 0.56 C ATOM 0 H ILE A 34 12.457 0.442 -5.438 1.00 0.54 H new ATOM 0 HA ILE A 34 11.174 2.576 -6.838 1.00 0.58 H new ATOM 0 HB ILE A 34 11.072 1.782 -3.892 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.263 1.050 -6.224 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.384 -0.031 -5.421 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.937 3.016 -3.855 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.305 4.081 -4.258 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.204 3.522 -5.540 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.095 -0.405 -4.645 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.114 0.196 -3.316 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.977 1.295 -4.132 1.00 0.56 H new ATOM 466 N VAL A 35 12.300 4.654 -6.056 1.00 0.77 N ATOM 467 CA VAL A 35 12.912 5.883 -5.592 1.00 0.89 C ATOM 468 C VAL A 35 12.011 6.535 -4.544 1.00 0.74 C ATOM 469 O VAL A 35 10.989 7.146 -4.858 1.00 0.90 O ATOM 470 CB VAL A 35 13.219 6.867 -6.751 1.00 1.24 C ATOM 471 CG1 VAL A 35 12.000 7.101 -7.633 1.00 1.84 C ATOM 472 CG2 VAL A 35 13.749 8.185 -6.204 1.00 1.87 C ATOM 0 H VAL A 35 11.727 4.754 -6.894 1.00 0.77 H new ATOM 0 HA VAL A 35 13.872 5.632 -5.142 1.00 0.89 H new ATOM 0 HB VAL A 35 13.988 6.412 -7.375 1.00 1.24 H new ATOM 0 HG11 VAL A 35 12.257 7.796 -8.432 1.00 1.84 H new ATOM 0 HG12 VAL A 35 11.677 6.154 -8.065 1.00 1.84 H new ATOM 0 HG13 VAL A 35 11.192 7.521 -7.033 1.00 1.84 H new ATOM 0 HG21 VAL A 35 13.959 8.864 -7.031 1.00 1.87 H new ATOM 0 HG22 VAL A 35 13.003 8.633 -5.548 1.00 1.87 H new ATOM 0 HG23 VAL A 35 14.665 8.004 -5.642 1.00 1.87 H new ATOM 482 N LEU A 36 12.373 6.357 -3.286 1.00 0.70 N ATOM 483 CA LEU A 36 11.572 6.876 -2.190 1.00 0.66 C ATOM 484 C LEU A 36 11.761 8.379 -2.034 1.00 0.68 C ATOM 485 O LEU A 36 12.881 8.889 -2.072 1.00 0.84 O ATOM 486 CB LEU A 36 11.910 6.143 -0.877 1.00 0.86 C ATOM 487 CG LEU A 36 13.399 5.919 -0.599 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.001 7.118 0.109 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.604 4.649 0.211 1.00 2.76 C ATOM 0 H LEU A 36 13.215 5.858 -2.998 1.00 0.70 H new ATOM 0 HA LEU A 36 10.523 6.695 -2.425 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.487 6.710 -0.048 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.412 5.173 -0.887 1.00 0.86 H new ATOM 0 HG LEU A 36 13.913 5.801 -1.553 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.059 6.936 0.296 1.00 2.62 H new ATOM 0 HD12 LEU A 36 13.890 8.004 -0.517 1.00 2.62 H new ATOM 0 HD13 LEU A 36 13.487 7.277 1.057 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.668 4.505 0.399 1.00 2.76 H new ATOM 0 HD22 LEU A 36 13.076 4.734 1.161 1.00 2.76 H new ATOM 0 HD23 LEU A 36 13.216 3.796 -0.345 1.00 2.76 H new ATOM 501 N GLU A 37 10.648 9.088 -1.906 1.00 0.72 N ATOM 502 CA GLU A 37 10.679 10.506 -1.584 1.00 0.84 C ATOM 503 C GLU A 37 10.728 10.663 -0.071 1.00 0.76 C ATOM 504 O GLU A 37 11.292 11.620 0.457 1.00 0.88 O ATOM 505 CB GLU A 37 9.454 11.218 -2.163 1.00 1.02 C ATOM 506 CG GLU A 37 9.319 11.065 -3.669 1.00 1.42 C ATOM 507 CD GLU A 37 8.200 11.909 -4.242 1.00 2.06 C ATOM 508 OE1 GLU A 37 7.054 11.414 -4.315 1.00 2.65 O ATOM 509 OE2 GLU A 37 8.458 13.068 -4.625 1.00 2.58 O ATOM 0 H GLU A 37 9.711 8.702 -2.021 1.00 0.72 H new ATOM 0 HA GLU A 37 11.565 10.962 -2.027 1.00 0.84 H new ATOM 0 HB2 GLU A 37 8.556 10.827 -1.684 1.00 1.02 H new ATOM 0 HB3 GLU A 37 9.510 12.278 -1.917 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.259 11.344 -4.145 1.00 1.42 H new ATOM 0 HG3 GLU A 37 9.139 10.017 -3.909 1.00 1.42 H new ATOM 516 N ASP A 38 10.139 9.693 0.612 1.00 0.61 N ATOM 517 CA ASP A 38 10.189 9.599 2.051 1.00 0.54 C ATOM 518 C ASP A 38 10.240 8.127 2.410 1.00 0.41 C ATOM 519 O ASP A 38 9.285 7.392 2.163 1.00 0.39 O ATOM 520 CB ASP A 38 8.963 10.258 2.684 1.00 0.60 C ATOM 521 CG ASP A 38 8.990 10.183 4.194 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.406 11.168 4.836 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.589 9.135 4.749 1.00 2.29 O ATOM 0 H ASP A 38 9.608 8.943 0.170 1.00 0.61 H new ATOM 0 HA ASP A 38 11.068 10.119 2.431 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.913 11.302 2.375 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.060 9.773 2.314 1.00 0.60 H new ATOM 528 N PRO A 39 11.362 7.660 2.956 1.00 0.41 N ATOM 529 CA PRO A 39 11.572 6.236 3.206 1.00 0.40 C ATOM 530 C PRO A 39 10.795 5.728 4.411 1.00 0.32 C ATOM 531 O PRO A 39 10.827 4.543 4.717 1.00 0.35 O ATOM 532 CB PRO A 39 13.074 6.146 3.469 1.00 0.57 C ATOM 533 CG PRO A 39 13.440 7.478 4.027 1.00 0.64 C ATOM 534 CD PRO A 39 12.518 8.476 3.376 1.00 0.57 C ATOM 0 HA PRO A 39 11.227 5.625 2.372 1.00 0.40 H new ATOM 0 HB2 PRO A 39 13.306 5.345 4.171 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.625 5.936 2.552 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.324 7.491 5.111 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.482 7.715 3.815 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.222 9.262 4.072 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.993 8.965 2.526 1.00 0.57 H new ATOM 542 N THR A 40 10.077 6.616 5.076 1.00 0.30 N ATOM 543 CA THR A 40 9.377 6.238 6.294 1.00 0.31 C ATOM 544 C THR A 40 7.879 6.137 6.056 1.00 0.28 C ATOM 545 O THR A 40 7.079 6.206 6.987 1.00 0.48 O ATOM 546 CB THR A 40 9.674 7.205 7.462 1.00 0.42 C ATOM 547 OG1 THR A 40 9.437 8.566 7.078 1.00 0.51 O ATOM 548 CG2 THR A 40 11.113 7.057 7.924 1.00 0.49 C ATOM 0 H THR A 40 9.963 7.591 4.799 1.00 0.30 H new ATOM 0 HA THR A 40 9.751 5.255 6.579 1.00 0.31 H new ATOM 0 HB THR A 40 9.002 6.948 8.281 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.797 8.590 6.336 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.304 7.746 8.747 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.284 6.034 8.260 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.786 7.285 7.097 1.00 0.49 H new ATOM 556 N VAL A 41 7.510 5.978 4.795 1.00 0.20 N ATOM 557 CA VAL A 41 6.121 5.763 4.433 1.00 0.17 C ATOM 558 C VAL A 41 5.792 4.276 4.481 1.00 0.14 C ATOM 559 O VAL A 41 6.682 3.428 4.380 1.00 0.15 O ATOM 560 CB VAL A 41 5.801 6.306 3.024 1.00 0.20 C ATOM 561 CG1 VAL A 41 6.031 7.806 2.960 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.618 5.591 1.956 1.00 0.23 C ATOM 0 H VAL A 41 8.155 5.994 4.005 1.00 0.20 H new ATOM 0 HA VAL A 41 5.511 6.307 5.155 1.00 0.17 H new ATOM 0 HB VAL A 41 4.747 6.110 2.825 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.799 8.167 1.958 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.386 8.304 3.684 1.00 0.24 H new ATOM 0 HG13 VAL A 41 7.073 8.025 3.192 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.369 5.997 0.975 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.680 5.739 2.151 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.390 4.525 1.976 1.00 0.23 H new ATOM 572 N LEU A 42 4.521 3.963 4.650 1.00 0.14 N ATOM 573 CA LEU A 42 4.074 2.582 4.640 1.00 0.14 C ATOM 574 C LEU A 42 3.813 2.137 3.215 1.00 0.12 C ATOM 575 O LEU A 42 3.005 2.742 2.508 1.00 0.15 O ATOM 576 CB LEU A 42 2.804 2.409 5.480 1.00 0.16 C ATOM 577 CG LEU A 42 2.975 2.616 6.987 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.630 2.520 7.693 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.944 1.593 7.556 1.00 0.22 C ATOM 0 H LEU A 42 3.779 4.647 4.796 1.00 0.14 H new ATOM 0 HA LEU A 42 4.859 1.965 5.076 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.052 3.110 5.118 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.412 1.406 5.311 1.00 0.16 H new ATOM 0 HG LEU A 42 3.384 3.612 7.154 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.770 2.669 8.764 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.959 3.286 7.304 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.196 1.535 7.518 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.055 1.754 8.628 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.559 0.589 7.377 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.914 1.702 7.071 1.00 0.22 H new ATOM 591 N ILE A 43 4.511 1.098 2.792 1.00 0.11 N ATOM 592 CA ILE A 43 4.308 0.549 1.466 1.00 0.10 C ATOM 593 C ILE A 43 3.562 -0.771 1.552 1.00 0.11 C ATOM 594 O ILE A 43 3.789 -1.573 2.461 1.00 0.15 O ATOM 595 CB ILE A 43 5.628 0.365 0.681 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.669 -0.393 1.507 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.172 1.717 0.247 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.915 -0.742 0.722 1.00 0.14 C ATOM 0 H ILE A 43 5.221 0.620 3.347 1.00 0.11 H new ATOM 0 HA ILE A 43 3.710 1.274 0.914 1.00 0.10 H new ATOM 0 HB ILE A 43 5.413 -0.231 -0.206 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.949 0.211 2.370 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.221 -1.309 1.891 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.101 1.575 -0.305 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.443 2.214 -0.392 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.362 2.332 1.127 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.612 -1.278 1.366 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.646 -1.372 -0.126 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.385 0.172 0.360 1.00 0.14 H new ATOM 610 N GLY A 44 2.657 -0.980 0.619 1.00 0.13 N ATOM 611 CA GLY A 44 1.817 -2.148 0.662 1.00 0.16 C ATOM 612 C GLY A 44 2.018 -3.061 -0.522 1.00 0.17 C ATOM 613 O GLY A 44 1.603 -2.747 -1.632 1.00 0.31 O ATOM 0 H GLY A 44 2.488 -0.358 -0.172 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.020 -2.701 1.579 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.773 -1.837 0.701 1.00 0.16 H new ATOM 617 N ASP A 45 2.655 -4.194 -0.293 1.00 0.18 N ATOM 618 CA ASP A 45 2.812 -5.191 -1.341 1.00 0.20 C ATOM 619 C ASP A 45 1.530 -5.991 -1.446 1.00 0.20 C ATOM 620 O ASP A 45 0.832 -6.178 -0.450 1.00 0.29 O ATOM 621 CB ASP A 45 3.973 -6.140 -1.045 1.00 0.32 C ATOM 622 CG ASP A 45 4.436 -6.897 -2.274 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.297 -6.379 -3.015 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.955 -8.026 -2.497 1.00 0.57 O ATOM 0 H ASP A 45 3.071 -4.448 0.603 1.00 0.18 H new ATOM 0 HA ASP A 45 3.028 -4.677 -2.278 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.808 -5.570 -0.638 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.669 -6.852 -0.278 1.00 0.32 H new ATOM 629 N GLY A 46 1.205 -6.441 -2.640 1.00 0.18 N ATOM 630 CA GLY A 46 0.013 -7.246 -2.815 1.00 0.21 C ATOM 631 C GLY A 46 -1.249 -6.448 -2.573 1.00 0.18 C ATOM 632 O GLY A 46 -2.214 -6.950 -2.001 1.00 0.18 O ATOM 0 H GLY A 46 1.739 -6.267 -3.491 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -0.004 -7.654 -3.826 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.044 -8.093 -2.130 1.00 0.21 H new ATOM 636 N CYS A 47 -1.237 -5.200 -3.001 1.00 0.17 N ATOM 637 CA CYS A 47 -2.316 -4.284 -2.701 1.00 0.15 C ATOM 638 C CYS A 47 -3.228 -4.105 -3.898 1.00 0.19 C ATOM 639 O CYS A 47 -2.816 -3.591 -4.938 1.00 0.25 O ATOM 640 CB CYS A 47 -1.753 -2.934 -2.275 1.00 0.15 C ATOM 641 SG CYS A 47 -2.665 -2.153 -0.916 1.00 0.12 S ATOM 0 H CYS A 47 -0.486 -4.797 -3.561 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.901 -4.707 -1.884 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.713 -3.063 -1.975 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.755 -2.263 -3.134 1.00 0.15 H new ATOM 646 N ASP A 48 -4.464 -4.535 -3.744 1.00 0.19 N ATOM 647 CA ASP A 48 -5.449 -4.383 -4.797 1.00 0.24 C ATOM 648 C ASP A 48 -6.358 -3.200 -4.498 1.00 0.21 C ATOM 649 O ASP A 48 -6.827 -3.039 -3.373 1.00 0.19 O ATOM 650 CB ASP A 48 -6.275 -5.664 -4.978 1.00 0.30 C ATOM 651 CG ASP A 48 -7.347 -5.872 -3.923 1.00 1.50 C ATOM 652 OD1 ASP A 48 -8.505 -5.471 -4.164 1.00 2.21 O ATOM 653 OD2 ASP A 48 -7.049 -6.483 -2.873 1.00 2.02 O ATOM 0 H ASP A 48 -4.811 -4.992 -2.901 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.920 -4.195 -5.731 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.748 -5.641 -5.960 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.601 -6.521 -4.968 1.00 0.30 H new ATOM 658 N PRO A 49 -6.577 -2.327 -5.488 1.00 0.26 N ATOM 659 CA PRO A 49 -7.512 -1.212 -5.356 1.00 0.28 C ATOM 660 C PRO A 49 -8.904 -1.716 -5.021 1.00 0.31 C ATOM 661 O PRO A 49 -9.490 -2.482 -5.790 1.00 0.37 O ATOM 662 CB PRO A 49 -7.508 -0.562 -6.743 1.00 0.35 C ATOM 663 CG PRO A 49 -6.246 -1.014 -7.390 1.00 0.44 C ATOM 664 CD PRO A 49 -5.927 -2.358 -6.804 1.00 0.34 C ATOM 0 HA PRO A 49 -7.230 -0.523 -4.560 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.378 -0.869 -7.323 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.543 0.525 -6.667 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.366 -1.080 -8.471 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.438 -0.307 -7.202 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.315 -3.167 -7.423 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.851 -2.511 -6.716 1.00 0.34 H new ATOM 672 N ILE A 50 -9.436 -1.304 -3.878 1.00 0.30 N ATOM 673 CA ILE A 50 -10.735 -1.792 -3.460 1.00 0.36 C ATOM 674 C ILE A 50 -11.831 -1.043 -4.198 1.00 0.43 C ATOM 675 O ILE A 50 -12.327 -0.007 -3.750 1.00 0.46 O ATOM 676 CB ILE A 50 -10.957 -1.682 -1.940 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.737 -2.207 -1.186 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.184 -2.482 -1.540 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.910 -2.221 0.317 1.00 0.31 C ATOM 0 H ILE A 50 -8.995 -0.645 -3.237 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.771 -2.852 -3.710 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.107 -0.633 -1.684 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.518 -3.219 -1.527 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.873 -1.592 -1.438 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.336 -2.401 -0.464 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.058 -2.092 -2.061 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.039 -3.529 -1.808 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.003 -2.606 0.784 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.098 -1.207 0.671 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.753 -2.860 0.580 1.00 0.31 H new ATOM 782 N CYS A 59 -11.666 -7.075 1.375 1.00 0.45 N ATOM 783 CA CYS A 59 -10.230 -7.115 1.581 1.00 0.54 C ATOM 784 C CYS A 59 -9.832 -8.412 2.267 1.00 0.55 C ATOM 785 O CYS A 59 -10.424 -8.801 3.275 1.00 0.74 O ATOM 786 CB CYS A 59 -9.773 -5.917 2.414 1.00 0.73 C ATOM 787 SG CYS A 59 -7.979 -5.878 2.725 1.00 0.74 S ATOM 0 HA CYS A 59 -9.741 -7.067 0.608 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.064 -4.999 1.903 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.298 -5.930 3.369 1.00 0.73 H new ATOM 792 N SER A 60 -8.831 -9.077 1.717 1.00 0.64 N ATOM 793 CA SER A 60 -8.387 -10.357 2.239 1.00 0.86 C ATOM 794 C SER A 60 -7.240 -10.195 3.234 1.00 0.71 C ATOM 795 O SER A 60 -6.934 -11.116 3.992 1.00 1.05 O ATOM 796 CB SER A 60 -7.959 -11.259 1.078 1.00 1.24 C ATOM 797 OG SER A 60 -7.101 -10.563 0.187 1.00 2.14 O ATOM 0 H SER A 60 -8.308 -8.749 0.905 1.00 0.64 H new ATOM 0 HA SER A 60 -9.219 -10.815 2.774 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.449 -12.141 1.466 1.00 1.24 H new ATOM 0 HB3 SER A 60 -8.840 -11.610 0.541 1.00 1.24 H new ATOM 0 HG SER A 60 -6.838 -11.158 -0.546 1.00 2.14 H new ATOM 803 N ALA A 61 -6.613 -9.025 3.249 1.00 0.38 N ATOM 804 CA ALA A 61 -5.443 -8.822 4.092 1.00 0.32 C ATOM 805 C ALA A 61 -5.559 -7.574 4.969 1.00 0.32 C ATOM 806 O ALA A 61 -5.939 -7.665 6.136 1.00 0.54 O ATOM 807 CB ALA A 61 -4.185 -8.776 3.240 1.00 0.38 C ATOM 0 H ALA A 61 -6.890 -8.214 2.696 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.381 -9.671 4.772 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.317 -8.624 3.881 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.077 -9.717 2.700 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.258 -7.955 2.527 1.00 0.38 H new ATOM 813 N THR A 62 -5.229 -6.413 4.421 1.00 0.22 N ATOM 814 CA THR A 62 -5.228 -5.182 5.203 1.00 0.19 C ATOM 815 C THR A 62 -5.737 -4.002 4.380 1.00 0.18 C ATOM 816 O THR A 62 -5.296 -3.784 3.252 1.00 0.20 O ATOM 817 CB THR A 62 -3.808 -4.867 5.715 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.217 -6.047 6.276 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.834 -3.766 6.767 1.00 0.24 C ATOM 0 H THR A 62 -4.960 -6.296 3.444 1.00 0.22 H new ATOM 0 HA THR A 62 -5.897 -5.334 6.050 1.00 0.19 H new ATOM 0 HB THR A 62 -3.214 -4.523 4.868 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.315 -5.840 6.598 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.819 -3.566 7.109 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.257 -2.859 6.334 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.445 -4.084 7.611 1.00 0.24 H new ATOM 827 N ALA A 63 -6.659 -3.241 4.951 1.00 0.19 N ATOM 828 CA ALA A 63 -7.207 -2.076 4.282 1.00 0.20 C ATOM 829 C ALA A 63 -6.337 -0.860 4.553 1.00 0.17 C ATOM 830 O ALA A 63 -6.047 -0.530 5.705 1.00 0.19 O ATOM 831 CB ALA A 63 -8.637 -1.821 4.734 1.00 0.25 C ATOM 0 H ALA A 63 -7.043 -3.413 5.880 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.219 -2.265 3.209 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.030 -0.943 4.221 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.254 -2.687 4.495 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.653 -1.650 5.810 1.00 0.25 H new ATOM 837 N VAL A 64 -5.907 -0.204 3.490 1.00 0.14 N ATOM 838 CA VAL A 64 -5.025 0.945 3.600 1.00 0.13 C ATOM 839 C VAL A 64 -5.397 2.010 2.583 1.00 0.14 C ATOM 840 O VAL A 64 -6.130 1.745 1.637 1.00 0.21 O ATOM 841 CB VAL A 64 -3.558 0.546 3.379 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.990 -0.150 4.606 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.452 -0.345 2.155 1.00 0.19 C ATOM 0 H VAL A 64 -6.157 -0.450 2.532 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.142 1.341 4.609 1.00 0.13 H new ATOM 0 HB VAL A 64 -2.970 1.449 3.213 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.951 -0.421 4.422 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.043 0.522 5.463 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.569 -1.050 4.814 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.411 -0.627 1.999 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.053 -1.242 2.305 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.816 0.194 1.280 1.00 0.19 H new ATOM 853 N CYS A 65 -4.882 3.207 2.780 1.00 0.17 N ATOM 854 CA CYS A 65 -5.157 4.311 1.880 1.00 0.17 C ATOM 855 C CYS A 65 -3.855 5.001 1.491 1.00 0.13 C ATOM 856 O CYS A 65 -3.192 5.603 2.336 1.00 0.14 O ATOM 857 CB CYS A 65 -6.103 5.304 2.555 1.00 0.23 C ATOM 858 SG CYS A 65 -6.754 6.583 1.436 1.00 0.39 S ATOM 0 H CYS A 65 -4.267 3.442 3.560 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.633 3.929 0.977 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.939 4.756 2.989 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.578 5.789 3.378 1.00 0.23 H new ATOM 0 HG CYS A 65 -7.546 7.375 2.096 1.00 0.39 H new ATOM 863 N CYS A 66 -3.482 4.899 0.224 1.00 0.12 N ATOM 864 CA CYS A 66 -2.209 5.433 -0.239 1.00 0.13 C ATOM 865 C CYS A 66 -2.350 6.826 -0.827 1.00 0.16 C ATOM 866 O CYS A 66 -3.275 7.116 -1.589 1.00 0.23 O ATOM 867 CB CYS A 66 -1.564 4.490 -1.254 1.00 0.19 C ATOM 868 SG CYS A 66 -0.425 3.282 -0.510 1.00 0.65 S ATOM 0 H CYS A 66 -4.042 4.452 -0.502 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.561 5.512 0.634 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.349 3.955 -1.789 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.021 5.081 -1.992 1.00 0.19 H new ATOM 873 N SER A 67 -1.407 7.679 -0.458 1.00 0.24 N ATOM 874 CA SER A 67 -1.382 9.058 -0.904 1.00 0.29 C ATOM 875 C SER A 67 -0.600 9.192 -2.206 1.00 0.32 C ATOM 876 O SER A 67 -0.730 10.182 -2.925 1.00 0.41 O ATOM 877 CB SER A 67 -0.751 9.922 0.183 1.00 0.35 C ATOM 878 OG SER A 67 -1.427 9.750 1.420 1.00 1.15 O ATOM 0 H SER A 67 -0.636 7.431 0.162 1.00 0.24 H new ATOM 0 HA SER A 67 -2.403 9.391 -1.091 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.300 9.659 0.298 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.786 10.970 -0.113 1.00 0.35 H new ATOM 0 HG SER A 67 -1.006 10.311 2.104 1.00 1.15 H new ATOM 884 N ASP A 68 0.212 8.189 -2.498 1.00 0.30 N ATOM 885 CA ASP A 68 0.996 8.175 -3.725 1.00 0.37 C ATOM 886 C ASP A 68 0.307 7.329 -4.782 1.00 0.44 C ATOM 887 O ASP A 68 -0.437 6.400 -4.461 1.00 0.57 O ATOM 888 CB ASP A 68 2.412 7.644 -3.473 1.00 0.43 C ATOM 889 CG ASP A 68 3.286 8.630 -2.722 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.707 9.641 -3.320 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.561 8.397 -1.526 1.00 1.52 O ATOM 0 H ASP A 68 0.346 7.372 -1.902 1.00 0.30 H new ATOM 0 HA ASP A 68 1.075 9.202 -4.083 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.351 6.715 -2.906 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.880 7.405 -4.428 1.00 0.43 H new ATOM 896 N ASN A 69 0.543 7.666 -6.040 1.00 0.53 N ATOM 897 CA ASN A 69 -0.076 6.961 -7.153 1.00 0.63 C ATOM 898 C ASN A 69 0.924 6.023 -7.815 1.00 0.59 C ATOM 899 O ASN A 69 0.554 5.177 -8.629 1.00 0.64 O ATOM 900 CB ASN A 69 -0.622 7.954 -8.189 1.00 0.84 C ATOM 901 CG ASN A 69 0.466 8.808 -8.822 1.00 1.67 C ATOM 902 OD1 ASN A 69 1.073 8.424 -9.824 1.00 2.35 O ATOM 903 ND2 ASN A 69 0.711 9.977 -8.252 1.00 2.49 N ATOM 0 H ASN A 69 1.162 8.428 -6.318 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.905 6.373 -6.759 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.146 7.404 -8.971 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.355 8.604 -7.711 1.00 0.84 H new ATOM 0 HD21 ASN A 69 1.423 10.595 -8.641 1.00 2.49 H new ATOM 0 HD22 ASN A 69 0.188 10.260 -7.424 1.00 2.49 H new ATOM 910 N ASN A 70 2.193 6.186 -7.462 1.00 0.59 N ATOM 911 CA ASN A 70 3.265 5.370 -8.023 1.00 0.64 C ATOM 912 C ASN A 70 3.148 3.924 -7.558 1.00 0.55 C ATOM 913 O ASN A 70 3.353 3.619 -6.386 1.00 0.86 O ATOM 914 CB ASN A 70 4.632 5.928 -7.621 1.00 0.83 C ATOM 915 CG ASN A 70 5.786 5.115 -8.184 1.00 1.50 C ATOM 916 OD1 ASN A 70 5.640 4.633 -9.408 1.00 2.24 O flip ATOM 917 ND2 ASN A 70 6.815 4.945 -7.531 1.00 2.27 N flip ATOM 0 H ASN A 70 2.507 6.881 -6.785 1.00 0.59 H new ATOM 0 HA ASN A 70 3.172 5.399 -9.109 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.716 6.958 -7.968 1.00 0.83 H new ATOM 0 HB3 ASN A 70 4.705 5.951 -6.534 1.00 0.83 H new ATOM 0 HD21 ASN A 70 6.892 5.331 -6.590 1.00 2.27 H new ATOM 0 HD22 ASN A 70 7.591 4.418 -7.931 1.00 2.27 H new ATOM 924 N VAL A 71 2.799 3.042 -8.479 1.00 0.41 N ATOM 925 CA VAL A 71 2.694 1.634 -8.185 1.00 0.38 C ATOM 926 C VAL A 71 3.555 0.813 -9.138 1.00 0.33 C ATOM 927 O VAL A 71 3.787 1.206 -10.281 1.00 0.38 O ATOM 928 CB VAL A 71 1.235 1.161 -8.284 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.395 1.777 -7.177 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.646 1.492 -9.647 1.00 1.03 C ATOM 0 H VAL A 71 2.583 3.286 -9.445 1.00 0.41 H new ATOM 0 HA VAL A 71 3.050 1.486 -7.165 1.00 0.38 H new ATOM 0 HB VAL A 71 1.224 0.078 -8.164 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.634 1.429 -7.265 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.796 1.481 -6.208 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.420 2.863 -7.263 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.387 1.147 -9.691 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.675 2.570 -9.804 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.227 0.997 -10.425 1.00 1.03 H new ATOM 940 N SER A 72 4.032 -0.323 -8.651 1.00 0.32 N ATOM 941 CA SER A 72 4.816 -1.242 -9.463 1.00 0.37 C ATOM 942 C SER A 72 3.903 -2.323 -10.042 1.00 0.42 C ATOM 943 O SER A 72 4.358 -3.331 -10.584 1.00 0.55 O ATOM 944 CB SER A 72 5.928 -1.873 -8.620 1.00 0.45 C ATOM 945 OG SER A 72 6.909 -2.497 -9.432 1.00 1.41 O ATOM 0 H SER A 72 3.888 -0.632 -7.690 1.00 0.32 H new ATOM 0 HA SER A 72 5.277 -0.693 -10.284 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.398 -1.106 -8.005 1.00 0.45 H new ATOM 0 HB3 SER A 72 5.497 -2.608 -7.940 1.00 0.45 H new ATOM 0 HG SER A 72 6.470 -2.982 -10.162 1.00 1.41 H new ATOM 951 N GLY A 73 2.603 -2.109 -9.897 1.00 0.39 N ATOM 952 CA GLY A 73 1.625 -3.019 -10.452 1.00 0.48 C ATOM 953 C GLY A 73 0.806 -3.711 -9.393 1.00 0.41 C ATOM 954 O GLY A 73 -0.379 -3.970 -9.596 1.00 0.48 O ATOM 0 H GLY A 73 2.206 -1.312 -9.399 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.960 -2.469 -11.118 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.135 -3.768 -11.058 1.00 0.48 H new ATOM 958 N VAL A 74 1.415 -3.986 -8.248 1.00 0.31 N ATOM 959 CA VAL A 74 0.696 -4.640 -7.163 1.00 0.28 C ATOM 960 C VAL A 74 1.031 -4.021 -5.815 1.00 0.22 C ATOM 961 O VAL A 74 0.527 -4.453 -4.787 1.00 0.34 O ATOM 962 CB VAL A 74 0.993 -6.152 -7.103 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.738 -6.804 -8.452 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.412 -6.413 -6.634 1.00 0.38 C ATOM 0 H VAL A 74 2.391 -3.770 -8.047 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.363 -4.495 -7.374 1.00 0.28 H new ATOM 0 HB VAL A 74 0.316 -6.599 -6.376 1.00 0.37 H new ATOM 0 HG11 VAL A 74 0.954 -7.870 -8.387 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.305 -6.661 -8.734 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.382 -6.348 -9.204 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.593 -7.487 -6.602 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.115 -5.948 -7.325 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.549 -5.992 -5.638 1.00 0.38 H new ATOM 974 N ILE A 75 1.897 -3.027 -5.809 1.00 0.18 N ATOM 975 CA ILE A 75 2.260 -2.382 -4.559 1.00 0.17 C ATOM 976 C ILE A 75 1.517 -1.078 -4.368 1.00 0.16 C ATOM 977 O ILE A 75 0.810 -0.610 -5.258 1.00 0.20 O ATOM 978 CB ILE A 75 3.764 -2.080 -4.455 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.195 -1.145 -5.574 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.557 -3.361 -4.501 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.510 -0.450 -5.312 1.00 0.30 C ATOM 0 H ILE A 75 2.356 -2.652 -6.639 1.00 0.18 H new ATOM 0 HA ILE A 75 1.984 -3.097 -3.784 1.00 0.17 H new ATOM 0 HB ILE A 75 3.957 -1.587 -3.502 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.273 -1.714 -6.501 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.421 -0.393 -5.726 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.620 -3.134 -4.427 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.264 -4.001 -3.669 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.361 -3.877 -5.441 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.752 0.200 -6.153 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.431 0.147 -4.403 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.297 -1.194 -5.190 1.00 0.30 H new ATOM 993 N ALA A 76 1.706 -0.510 -3.199 1.00 0.15 N ATOM 994 CA ALA A 76 1.136 0.775 -2.845 1.00 0.16 C ATOM 995 C ALA A 76 2.148 1.568 -2.025 1.00 0.14 C ATOM 996 O ALA A 76 2.864 0.995 -1.208 1.00 0.15 O ATOM 997 CB ALA A 76 -0.152 0.566 -2.066 1.00 0.18 C ATOM 0 H ALA A 76 2.266 -0.930 -2.457 1.00 0.15 H new ATOM 0 HA ALA A 76 0.902 1.339 -3.748 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.578 1.534 -1.801 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.863 0.012 -2.680 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.060 0.002 -1.158 1.00 0.18 H new ATOM 1003 N ILE A 77 2.231 2.871 -2.255 1.00 0.15 N ATOM 1004 CA ILE A 77 3.208 3.701 -1.559 1.00 0.16 C ATOM 1005 C ILE A 77 2.528 4.831 -0.786 1.00 0.16 C ATOM 1006 O ILE A 77 1.658 5.524 -1.318 1.00 0.21 O ATOM 1007 CB ILE A 77 4.239 4.299 -2.546 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.947 3.180 -3.317 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.257 5.159 -1.807 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.923 3.681 -4.360 1.00 0.26 C ATOM 0 H ILE A 77 1.638 3.375 -2.914 1.00 0.15 H new ATOM 0 HA ILE A 77 3.728 3.055 -0.852 1.00 0.16 H new ATOM 0 HB ILE A 77 3.707 4.932 -3.256 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.480 2.545 -2.610 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.197 2.556 -3.804 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.972 5.569 -2.520 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.743 5.975 -1.298 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.785 4.549 -1.074 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.385 2.832 -4.864 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.393 4.292 -5.091 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.695 4.280 -3.878 1.00 0.26 H new ATOM 1022 N GLY A 78 2.918 4.995 0.474 1.00 0.16 N ATOM 1023 CA GLY A 78 2.363 6.055 1.296 1.00 0.17 C ATOM 1024 C GLY A 78 0.962 5.733 1.761 1.00 0.15 C ATOM 1025 O GLY A 78 0.042 6.534 1.591 1.00 0.17 O ATOM 0 H GLY A 78 3.611 4.411 0.942 1.00 0.16 H new ATOM 0 HA2 GLY A 78 3.005 6.216 2.162 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.352 6.986 0.729 1.00 0.17 H new ATOM 1029 N CYS A 79 0.801 4.555 2.344 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.501 4.079 2.770 1.00 0.13 C ATOM 1031 C CYS A 79 -0.725 4.274 4.259 1.00 0.13 C ATOM 1032 O CYS A 79 0.175 4.067 5.072 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.653 2.602 2.423 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.538 2.294 0.863 1.00 0.65 S ATOM 0 H CYS A 79 1.566 3.907 2.533 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.250 4.668 2.241 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.337 2.150 2.362 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.182 2.102 3.234 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.929 4.693 4.602 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.360 4.743 5.985 1.00 0.15 C ATOM 1041 C LEU A 80 -3.359 3.625 6.245 1.00 0.15 C ATOM 1042 O LEU A 80 -4.279 3.419 5.455 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.001 6.087 6.310 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.093 7.307 6.135 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.851 8.586 6.451 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.862 7.184 7.021 1.00 0.26 C ATOM 0 H LEU A 80 -2.632 5.007 3.933 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.486 4.617 6.624 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.879 6.215 5.676 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.353 6.062 7.341 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.768 7.349 5.095 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.189 9.443 6.321 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.703 8.680 5.777 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.205 8.554 7.481 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.227 8.059 6.885 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.170 7.118 8.065 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.306 6.287 6.749 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.180 2.883 7.342 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.070 1.777 7.707 1.00 0.17 C ATOM 1060 C PRO A 81 -5.475 2.264 8.048 1.00 0.21 C ATOM 1061 O PRO A 81 -5.653 3.126 8.910 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.403 1.157 8.942 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.022 1.717 8.977 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.099 3.063 8.316 1.00 0.17 C ATOM 0 HA PRO A 81 -4.197 1.071 6.886 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.951 1.408 9.850 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.383 0.069 8.872 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.664 1.807 10.003 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.324 1.065 8.452 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.326 3.853 9.032 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.159 3.331 7.833 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.468 1.718 7.364 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.842 2.095 7.589 1.00 0.30 C ATOM 1074 C VAL A 82 -8.682 0.877 7.939 1.00 0.39 C ATOM 1075 O VAL A 82 -8.299 -0.260 7.660 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.455 2.802 6.364 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.975 4.242 6.273 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.126 2.061 5.079 1.00 0.20 C ATOM 0 H VAL A 82 -6.339 1.007 6.644 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.845 2.795 8.424 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.537 2.801 6.493 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.421 4.720 5.401 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.270 4.781 7.173 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.889 4.258 6.180 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.572 2.584 4.233 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.044 2.019 4.950 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.525 1.048 5.131 1.00 0.20 H new