USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=9 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.28 K(o=-0.28,f=-4.2!) USER MOD Single : A 15 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.85) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 26 THR OG1 : rot -29:sc= 1.11 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 60 SER OG : rot -40:sc= 0.539 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0564 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= -3.53! K(o=-3.5!,f=-0.44) USER MOD Single : A 70 ASN : amide:sc= -1.94! X(o=-1.9!,f=-1.5) USER MOD Single : A 72 SER OG : rot 110:sc= -2.15! USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -6.008 6.917 -2.766 1.00 0.38 N ATOM 112 CA SER A 10 -6.909 5.832 -3.105 1.00 0.39 C ATOM 113 C SER A 10 -6.836 4.747 -2.040 1.00 0.28 C ATOM 114 O SER A 10 -5.770 4.500 -1.471 1.00 0.29 O ATOM 115 CB SER A 10 -6.538 5.261 -4.478 1.00 0.52 C ATOM 116 OG SER A 10 -7.467 4.278 -4.899 1.00 0.96 O ATOM 0 HA SER A 10 -7.930 6.210 -3.147 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.502 6.067 -5.211 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.540 4.825 -4.434 1.00 0.52 H new ATOM 0 HG SER A 10 -7.204 3.935 -5.778 1.00 0.96 H new ATOM 122 N ILE A 11 -7.965 4.115 -1.751 1.00 0.32 N ATOM 123 CA ILE A 11 -7.985 3.032 -0.783 1.00 0.27 C ATOM 124 C ILE A 11 -7.777 1.703 -1.470 1.00 0.20 C ATOM 125 O ILE A 11 -8.396 1.397 -2.490 1.00 0.26 O ATOM 126 CB ILE A 11 -9.288 2.992 0.034 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.424 4.277 0.832 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.315 1.787 0.963 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.611 4.291 1.765 1.00 0.96 C ATOM 0 H ILE A 11 -8.870 4.332 -2.169 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.166 3.221 -0.088 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.129 2.901 -0.654 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.515 4.431 1.413 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.507 5.116 0.141 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.247 1.784 1.528 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.244 0.872 0.375 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.473 1.840 1.653 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.642 5.240 2.300 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.528 4.169 1.189 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.521 3.474 2.481 1.00 0.96 H new ATOM 141 N GLN A 12 -6.901 0.922 -0.891 1.00 0.13 N ATOM 142 CA GLN A 12 -6.501 -0.340 -1.471 1.00 0.10 C ATOM 143 C GLN A 12 -6.286 -1.383 -0.385 1.00 0.11 C ATOM 144 O GLN A 12 -6.168 -1.053 0.795 1.00 0.17 O ATOM 145 CB GLN A 12 -5.248 -0.158 -2.336 1.00 0.12 C ATOM 146 CG GLN A 12 -4.505 1.143 -2.093 1.00 0.22 C ATOM 147 CD GLN A 12 -3.707 1.579 -3.307 1.00 0.39 C ATOM 148 OE1 GLN A 12 -2.555 1.211 -3.479 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.327 2.369 -4.165 1.00 0.35 N ATOM 0 H GLN A 12 -6.444 1.140 -0.006 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.301 -0.699 -2.118 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.569 -0.991 -2.151 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.535 -0.208 -3.386 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -5.218 1.924 -1.829 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.834 1.023 -1.242 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.290 2.657 -3.990 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -3.843 2.691 -5.003 1.00 0.35 H new ATOM 158 N CYS A 13 -6.277 -2.640 -0.788 1.00 0.12 N ATOM 159 CA CYS A 13 -6.148 -3.743 0.142 1.00 0.16 C ATOM 160 C CYS A 13 -4.804 -4.424 -0.049 1.00 0.13 C ATOM 161 O CYS A 13 -4.604 -5.194 -0.993 1.00 0.15 O ATOM 162 CB CYS A 13 -7.300 -4.738 -0.036 1.00 0.25 C ATOM 163 SG CYS A 13 -7.117 -6.274 0.930 1.00 0.34 S ATOM 0 H CYS A 13 -6.359 -2.923 -1.765 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.199 -3.356 1.160 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.233 -4.252 0.249 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.384 -4.994 -1.092 1.00 0.25 H new ATOM 168 N CYS A 14 -3.884 -4.113 0.844 1.00 0.12 N ATOM 169 CA CYS A 14 -2.525 -4.600 0.752 1.00 0.12 C ATOM 170 C CYS A 14 -2.389 -5.947 1.422 1.00 0.15 C ATOM 171 O CYS A 14 -2.887 -6.160 2.527 1.00 0.19 O ATOM 172 CB CYS A 14 -1.559 -3.617 1.398 1.00 0.14 C ATOM 173 SG CYS A 14 -1.393 -2.015 0.537 1.00 0.13 S ATOM 0 H CYS A 14 -4.060 -3.516 1.652 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.281 -4.703 -0.305 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.885 -3.430 2.421 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.576 -4.084 1.457 1.00 0.14 H new ATOM 178 N GLN A 15 -1.714 -6.854 0.738 1.00 0.15 N ATOM 179 CA GLN A 15 -1.469 -8.179 1.259 1.00 0.16 C ATOM 180 C GLN A 15 -0.365 -8.121 2.312 1.00 0.18 C ATOM 181 O GLN A 15 -0.331 -8.925 3.240 1.00 0.23 O ATOM 182 CB GLN A 15 -1.143 -9.138 0.091 1.00 0.17 C ATOM 183 CG GLN A 15 0.278 -9.700 0.044 1.00 0.23 C ATOM 184 CD GLN A 15 0.523 -10.811 1.051 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.649 -11.005 1.514 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.521 -11.550 1.396 1.00 0.33 N ATOM 0 H GLN A 15 -1.324 -6.690 -0.190 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.358 -8.568 1.755 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.839 -9.975 0.133 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.333 -8.612 -0.845 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.478 -10.078 -0.959 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.986 -8.892 0.227 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.437 -11.359 0.991 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.408 -12.310 2.067 1.00 0.33 H new ATOM 195 N ASN A 16 0.514 -7.141 2.171 1.00 0.17 N ATOM 196 CA ASN A 16 1.612 -6.960 3.104 1.00 0.21 C ATOM 197 C ASN A 16 1.890 -5.482 3.317 1.00 0.21 C ATOM 198 O ASN A 16 2.478 -4.819 2.465 1.00 0.40 O ATOM 199 CB ASN A 16 2.863 -7.615 2.562 1.00 0.29 C ATOM 200 CG ASN A 16 3.705 -8.265 3.636 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.745 -7.813 4.780 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.378 -9.339 3.266 1.00 0.75 N ATOM 0 H ASN A 16 0.487 -6.457 1.415 1.00 0.17 H new ATOM 0 HA ASN A 16 1.332 -7.418 4.053 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.582 -8.367 1.824 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.462 -6.867 2.042 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.963 -9.832 3.941 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.313 -9.676 2.305 1.00 0.75 H new ATOM 209 N VAL A 17 1.463 -4.972 4.449 1.00 0.16 N ATOM 210 CA VAL A 17 1.695 -3.577 4.799 1.00 0.13 C ATOM 211 C VAL A 17 2.965 -3.461 5.627 1.00 0.14 C ATOM 212 O VAL A 17 3.004 -3.874 6.787 1.00 0.18 O ATOM 213 CB VAL A 17 0.509 -2.970 5.581 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.784 -1.517 5.942 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.773 -3.079 4.772 1.00 0.14 C ATOM 0 H VAL A 17 0.948 -5.502 5.153 1.00 0.16 H new ATOM 0 HA VAL A 17 1.800 -3.017 3.870 1.00 0.13 H new ATOM 0 HB VAL A 17 0.388 -3.535 6.505 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.065 -1.112 6.492 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.679 -1.459 6.562 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.936 -0.938 5.031 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.598 -2.647 5.338 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.657 -2.541 3.831 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.985 -4.128 4.566 1.00 0.14 H new ATOM 225 N VAL A 18 4.003 -2.915 5.022 1.00 0.12 N ATOM 226 CA VAL A 18 5.300 -2.822 5.668 1.00 0.13 C ATOM 227 C VAL A 18 5.873 -1.417 5.529 1.00 0.12 C ATOM 228 O VAL A 18 5.631 -0.737 4.534 1.00 0.12 O ATOM 229 CB VAL A 18 6.299 -3.833 5.062 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.887 -5.260 5.385 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.411 -3.639 3.556 1.00 0.13 C ATOM 0 H VAL A 18 3.973 -2.527 4.079 1.00 0.12 H new ATOM 0 HA VAL A 18 5.153 -3.054 6.723 1.00 0.13 H new ATOM 0 HB VAL A 18 7.277 -3.651 5.507 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.605 -5.954 4.948 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.863 -5.396 6.466 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.897 -5.455 4.973 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.119 -4.360 3.148 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.434 -3.789 3.096 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.760 -2.628 3.344 1.00 0.13 H new ATOM 241 N PRO A 19 6.611 -0.947 6.539 1.00 0.14 N ATOM 242 CA PRO A 19 7.330 0.322 6.451 1.00 0.15 C ATOM 243 C PRO A 19 8.390 0.280 5.355 1.00 0.12 C ATOM 244 O PRO A 19 9.101 -0.713 5.203 1.00 0.10 O ATOM 245 CB PRO A 19 7.970 0.486 7.835 1.00 0.17 C ATOM 246 CG PRO A 19 7.255 -0.477 8.725 1.00 0.19 C ATOM 247 CD PRO A 19 6.788 -1.599 7.844 1.00 0.17 C ATOM 0 HA PRO A 19 6.676 1.155 6.193 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.038 0.270 7.801 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.863 1.508 8.198 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.917 -0.847 9.508 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.412 0.004 9.221 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.520 -2.405 7.796 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.857 -2.035 8.206 1.00 0.17 H new ATOM 255 N GLY A 20 8.480 1.354 4.579 1.00 0.14 N ATOM 256 CA GLY A 20 9.402 1.390 3.458 1.00 0.13 C ATOM 257 C GLY A 20 10.852 1.374 3.895 1.00 0.14 C ATOM 258 O GLY A 20 11.736 0.985 3.131 1.00 0.18 O ATOM 0 H GLY A 20 7.929 2.203 4.706 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.213 0.535 2.809 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.214 2.286 2.867 1.00 0.13 H new ATOM 262 N ASP A 21 11.094 1.798 5.124 1.00 0.17 N ATOM 263 CA ASP A 21 12.433 1.778 5.699 1.00 0.21 C ATOM 264 C ASP A 21 12.578 0.577 6.632 1.00 0.19 C ATOM 265 O ASP A 21 13.557 0.442 7.366 1.00 0.23 O ATOM 266 CB ASP A 21 12.698 3.089 6.444 1.00 0.31 C ATOM 267 CG ASP A 21 14.138 3.250 6.881 1.00 1.23 C ATOM 268 OD1 ASP A 21 14.391 3.314 8.102 1.00 1.22 O ATOM 269 OD2 ASP A 21 15.024 3.315 6.008 1.00 2.27 O ATOM 0 H ASP A 21 10.376 2.164 5.749 1.00 0.17 H new ATOM 0 HA ASP A 21 13.171 1.683 4.902 1.00 0.21 H new ATOM 0 HB2 ASP A 21 12.425 3.926 5.801 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.052 3.137 7.321 1.00 0.31 H new ATOM 274 N SER A 22 11.588 -0.303 6.588 1.00 0.16 N ATOM 275 CA SER A 22 11.625 -1.542 7.347 1.00 0.17 C ATOM 276 C SER A 22 12.505 -2.554 6.641 1.00 0.16 C ATOM 277 O SER A 22 12.690 -2.470 5.432 1.00 0.14 O ATOM 278 CB SER A 22 10.214 -2.116 7.502 1.00 0.18 C ATOM 279 OG SER A 22 10.235 -3.416 8.063 1.00 0.24 O ATOM 0 H SER A 22 10.743 -0.179 6.030 1.00 0.16 H new ATOM 0 HA SER A 22 12.033 -1.330 8.335 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.621 -1.456 8.135 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.725 -2.148 6.528 1.00 0.18 H new ATOM 0 HG SER A 22 9.318 -3.750 8.149 1.00 0.24 H new ATOM 285 N ASP A 23 13.031 -3.514 7.381 1.00 0.20 N ATOM 286 CA ASP A 23 13.822 -4.585 6.781 1.00 0.22 C ATOM 287 C ASP A 23 13.026 -5.252 5.670 1.00 0.20 C ATOM 288 O ASP A 23 13.556 -5.561 4.603 1.00 0.22 O ATOM 289 CB ASP A 23 14.216 -5.627 7.825 1.00 0.29 C ATOM 290 CG ASP A 23 15.384 -5.194 8.683 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.164 -4.450 9.659 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.533 -5.583 8.376 1.00 0.61 O ATOM 0 H ASP A 23 12.928 -3.578 8.394 1.00 0.20 H new ATOM 0 HA ASP A 23 14.732 -4.148 6.370 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.359 -5.833 8.466 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.469 -6.560 7.321 1.00 0.29 H new ATOM 297 N LEU A 24 11.740 -5.449 5.929 1.00 0.20 N ATOM 298 CA LEU A 24 10.837 -6.011 4.944 1.00 0.21 C ATOM 299 C LEU A 24 10.626 -5.048 3.783 1.00 0.17 C ATOM 300 O LEU A 24 11.006 -5.338 2.653 1.00 0.18 O ATOM 301 CB LEU A 24 9.494 -6.336 5.596 1.00 0.26 C ATOM 302 CG LEU A 24 9.177 -7.822 5.734 1.00 0.35 C ATOM 303 CD1 LEU A 24 8.995 -8.454 4.363 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.271 -8.535 6.513 1.00 1.11 C ATOM 0 H LEU A 24 11.300 -5.225 6.821 1.00 0.20 H new ATOM 0 HA LEU A 24 11.284 -6.926 4.554 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.471 -5.883 6.587 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.703 -5.865 5.013 1.00 0.26 H new ATOM 0 HG LEU A 24 8.244 -7.925 6.288 1.00 0.35 H new ATOM 0 HD11 LEU A 24 8.769 -9.514 4.478 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.173 -7.963 3.842 1.00 1.03 H new ATOM 0 HD13 LEU A 24 9.912 -8.339 3.785 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.025 -9.593 6.600 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.221 -8.425 5.990 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.352 -8.099 7.509 1.00 1.11 H new ATOM 316 N GLY A 25 10.049 -3.888 4.085 1.00 0.14 N ATOM 317 CA GLY A 25 9.696 -2.929 3.051 1.00 0.12 C ATOM 318 C GLY A 25 10.873 -2.507 2.199 1.00 0.12 C ATOM 319 O GLY A 25 10.746 -2.365 0.983 1.00 0.16 O ATOM 0 H GLY A 25 9.818 -3.593 5.034 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.929 -3.363 2.409 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.259 -2.046 3.518 1.00 0.12 H new ATOM 323 N THR A 26 12.025 -2.338 2.825 1.00 0.13 N ATOM 324 CA THR A 26 13.215 -1.900 2.122 1.00 0.16 C ATOM 325 C THR A 26 13.711 -2.992 1.183 1.00 0.20 C ATOM 326 O THR A 26 14.097 -2.716 0.051 1.00 0.24 O ATOM 327 CB THR A 26 14.328 -1.499 3.109 1.00 0.18 C ATOM 328 OG1 THR A 26 13.859 -0.449 3.960 1.00 0.20 O ATOM 329 CG2 THR A 26 15.574 -1.024 2.385 1.00 0.23 C ATOM 0 H THR A 26 12.160 -2.499 3.823 1.00 0.13 H new ATOM 0 HA THR A 26 12.952 -1.022 1.533 1.00 0.16 H new ATOM 0 HB THR A 26 14.585 -2.381 3.695 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.186 0.081 3.485 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.336 -0.750 3.114 1.00 0.23 H new ATOM 0 HG22 THR A 26 15.952 -1.824 1.748 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.330 -0.156 1.772 1.00 0.23 H new ATOM 337 N LEU A 27 13.662 -4.234 1.650 1.00 0.21 N ATOM 338 CA LEU A 27 14.041 -5.374 0.828 1.00 0.28 C ATOM 339 C LEU A 27 13.095 -5.475 -0.367 1.00 0.29 C ATOM 340 O LEU A 27 13.519 -5.760 -1.490 1.00 0.34 O ATOM 341 CB LEU A 27 14.007 -6.659 1.677 1.00 0.33 C ATOM 342 CG LEU A 27 14.698 -7.903 1.086 1.00 0.57 C ATOM 343 CD1 LEU A 27 13.866 -8.531 -0.020 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.086 -7.551 0.571 1.00 1.00 C ATOM 0 H LEU A 27 13.363 -4.476 2.595 1.00 0.21 H new ATOM 0 HA LEU A 27 15.056 -5.242 0.453 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.467 -6.441 2.641 1.00 0.33 H new ATOM 0 HB3 LEU A 27 12.964 -6.910 1.871 1.00 0.33 H new ATOM 0 HG LEU A 27 14.796 -8.636 1.886 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.384 -9.406 -0.413 1.00 1.01 H new ATOM 0 HD12 LEU A 27 12.898 -8.832 0.380 1.00 1.01 H new ATOM 0 HD13 LEU A 27 13.719 -7.806 -0.821 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.558 -8.443 0.158 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.004 -6.791 -0.206 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.692 -7.167 1.392 1.00 1.00 H new ATOM 356 N LEU A 28 11.819 -5.197 -0.120 1.00 0.27 N ATOM 357 CA LEU A 28 10.800 -5.299 -1.152 1.00 0.31 C ATOM 358 C LEU A 28 11.004 -4.233 -2.223 1.00 0.32 C ATOM 359 O LEU A 28 11.103 -4.542 -3.410 1.00 0.37 O ATOM 360 CB LEU A 28 9.395 -5.164 -0.552 1.00 0.31 C ATOM 361 CG LEU A 28 9.064 -6.124 0.597 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.569 -6.138 0.866 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.574 -7.524 0.303 1.00 0.37 C ATOM 0 H LEU A 28 11.468 -4.899 0.790 1.00 0.27 H new ATOM 0 HA LEU A 28 10.894 -6.284 -1.610 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.270 -4.142 -0.194 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.665 -5.314 -1.347 1.00 0.31 H new ATOM 0 HG LEU A 28 9.570 -5.767 1.494 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.353 -6.825 1.684 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.239 -5.135 1.137 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.041 -6.464 -0.030 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.326 -8.184 1.134 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.107 -7.897 -0.609 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.656 -7.497 0.172 1.00 0.37 H new ATOM 375 N LEU A 29 11.092 -2.976 -1.802 1.00 0.30 N ATOM 376 CA LEU A 29 11.213 -1.876 -2.747 1.00 0.32 C ATOM 377 C LEU A 29 12.580 -1.867 -3.415 1.00 0.36 C ATOM 378 O LEU A 29 12.753 -1.281 -4.478 1.00 0.41 O ATOM 379 CB LEU A 29 10.907 -0.531 -2.069 1.00 0.30 C ATOM 380 CG LEU A 29 11.798 -0.118 -0.885 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.161 0.380 -1.348 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.105 0.958 -0.071 1.00 0.31 C ATOM 0 H LEU A 29 11.082 -2.697 -0.821 1.00 0.30 H new ATOM 0 HA LEU A 29 10.471 -2.027 -3.531 1.00 0.32 H new ATOM 0 HB2 LEU A 29 10.969 0.250 -2.826 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.874 -0.556 -1.721 1.00 0.30 H new ATOM 0 HG LEU A 29 11.961 -1.001 -0.267 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.759 0.662 -0.481 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.670 -0.411 -1.898 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.031 1.247 -1.996 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.740 1.247 0.766 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.918 1.827 -0.701 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.158 0.574 0.308 1.00 0.31 H new ATOM 394 N ASP A 30 13.545 -2.514 -2.781 1.00 0.34 N ATOM 395 CA ASP A 30 14.865 -2.706 -3.373 1.00 0.39 C ATOM 396 C ASP A 30 14.753 -3.542 -4.631 1.00 0.43 C ATOM 397 O ASP A 30 15.405 -3.278 -5.641 1.00 0.49 O ATOM 398 CB ASP A 30 15.787 -3.406 -2.381 1.00 0.41 C ATOM 399 CG ASP A 30 17.127 -3.769 -2.979 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.427 -4.974 -3.103 1.00 0.66 O ATOM 401 OD2 ASP A 30 17.879 -2.845 -3.354 1.00 0.63 O ATOM 0 H ASP A 30 13.440 -2.918 -1.850 1.00 0.34 H new ATOM 0 HA ASP A 30 15.280 -1.730 -3.624 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.943 -2.758 -1.518 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.300 -4.311 -2.016 1.00 0.41 H new ATOM 406 N GLU A 31 13.881 -4.532 -4.563 1.00 0.43 N ATOM 407 CA GLU A 31 13.654 -5.442 -5.662 1.00 0.49 C ATOM 408 C GLU A 31 12.874 -4.734 -6.758 1.00 0.51 C ATOM 409 O GLU A 31 12.846 -5.166 -7.909 1.00 0.62 O ATOM 410 CB GLU A 31 12.868 -6.647 -5.155 1.00 0.52 C ATOM 411 CG GLU A 31 13.129 -7.902 -5.947 1.00 0.97 C ATOM 412 CD GLU A 31 12.392 -9.105 -5.400 1.00 1.46 C ATOM 413 OE1 GLU A 31 11.210 -9.299 -5.752 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.994 -9.870 -4.617 1.00 2.07 O ATOM 0 H GLU A 31 13.311 -4.725 -3.740 1.00 0.43 H new ATOM 0 HA GLU A 31 14.608 -5.777 -6.069 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.122 -6.825 -4.110 1.00 0.52 H new ATOM 0 HB3 GLU A 31 11.803 -6.418 -5.189 1.00 0.52 H new ATOM 0 HG2 GLU A 31 12.832 -7.740 -6.983 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.199 -8.108 -5.950 1.00 0.97 H new ATOM 421 N LEU A 32 12.271 -3.622 -6.379 1.00 0.52 N ATOM 422 CA LEU A 32 11.387 -2.877 -7.255 1.00 0.58 C ATOM 423 C LEU A 32 12.042 -1.593 -7.770 1.00 0.61 C ATOM 424 O LEU A 32 11.551 -0.959 -8.707 1.00 0.71 O ATOM 425 CB LEU A 32 10.115 -2.555 -6.479 1.00 0.56 C ATOM 426 CG LEU A 32 9.309 -3.775 -6.035 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.148 -3.349 -5.159 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.809 -4.561 -7.237 1.00 0.64 C ATOM 0 H LEU A 32 12.381 -3.210 -5.453 1.00 0.52 H new ATOM 0 HA LEU A 32 11.158 -3.483 -8.132 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.382 -1.973 -5.597 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.479 -1.922 -7.098 1.00 0.56 H new ATOM 0 HG LEU A 32 9.964 -4.424 -5.454 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.583 -4.229 -4.850 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.528 -2.834 -4.277 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.497 -2.678 -5.719 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.238 -5.424 -6.895 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.171 -3.923 -7.849 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.659 -4.899 -7.830 1.00 0.64 H new ATOM 440 N GLY A 33 13.151 -1.216 -7.137 1.00 0.57 N ATOM 441 CA GLY A 33 13.895 -0.037 -7.544 1.00 0.62 C ATOM 442 C GLY A 33 13.183 1.257 -7.200 1.00 0.63 C ATOM 443 O GLY A 33 13.152 2.185 -8.007 1.00 0.75 O ATOM 0 H GLY A 33 13.550 -1.713 -6.341 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.873 -0.047 -7.063 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.068 -0.076 -8.619 1.00 0.62 H new ATOM 447 N ILE A 34 12.616 1.325 -6.003 1.00 0.54 N ATOM 448 CA ILE A 34 11.847 2.493 -5.596 1.00 0.58 C ATOM 449 C ILE A 34 12.666 3.397 -4.683 1.00 0.65 C ATOM 450 O ILE A 34 13.176 2.954 -3.652 1.00 0.68 O ATOM 451 CB ILE A 34 10.555 2.091 -4.856 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.797 1.018 -5.642 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.670 3.310 -4.635 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.612 0.449 -4.898 1.00 0.56 C ATOM 0 H ILE A 34 12.674 0.589 -5.300 1.00 0.54 H new ATOM 0 HA ILE A 34 11.587 3.029 -6.509 1.00 0.58 H new ATOM 0 HB ILE A 34 10.828 1.678 -3.885 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.453 1.444 -6.584 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.483 0.208 -5.890 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.762 3.010 -4.112 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.207 4.046 -4.037 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.406 3.747 -5.598 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.123 -0.305 -5.515 1.00 0.56 H new ATOM 0 HD12 ILE A 34 8.951 -0.007 -3.968 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.906 1.248 -4.673 1.00 0.56 H new ATOM 466 N VAL A 35 12.785 4.660 -5.060 1.00 0.77 N ATOM 467 CA VAL A 35 13.475 5.638 -4.235 1.00 0.89 C ATOM 468 C VAL A 35 12.477 6.645 -3.655 1.00 0.74 C ATOM 469 O VAL A 35 11.987 7.546 -4.343 1.00 0.90 O ATOM 470 CB VAL A 35 14.605 6.358 -5.015 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.099 6.941 -6.327 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.248 7.438 -4.154 1.00 1.87 C ATOM 0 H VAL A 35 12.412 5.032 -5.933 1.00 0.77 H new ATOM 0 HA VAL A 35 13.948 5.103 -3.411 1.00 0.89 H new ATOM 0 HB VAL A 35 15.363 5.614 -5.260 1.00 1.24 H new ATOM 0 HG11 VAL A 35 14.920 7.437 -6.845 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.706 6.140 -6.953 1.00 1.84 H new ATOM 0 HG13 VAL A 35 13.309 7.663 -6.123 1.00 1.84 H new ATOM 0 HG21 VAL A 35 16.038 7.931 -4.719 1.00 1.87 H new ATOM 0 HG22 VAL A 35 14.494 8.172 -3.868 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.672 6.985 -3.258 1.00 1.87 H new ATOM 482 N LEU A 36 12.153 6.461 -2.384 1.00 0.70 N ATOM 483 CA LEU A 36 11.187 7.311 -1.707 1.00 0.66 C ATOM 484 C LEU A 36 11.855 8.559 -1.143 1.00 0.68 C ATOM 485 O LEU A 36 12.981 8.502 -0.651 1.00 0.84 O ATOM 486 CB LEU A 36 10.538 6.520 -0.577 1.00 0.86 C ATOM 487 CG LEU A 36 9.860 5.228 -1.012 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.676 4.307 0.177 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.526 5.533 -1.665 1.00 2.76 C ATOM 0 H LEU A 36 12.548 5.726 -1.798 1.00 0.70 H new ATOM 0 HA LEU A 36 10.432 7.628 -2.427 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.300 6.282 0.166 1.00 0.86 H new ATOM 0 HB3 LEU A 36 9.800 7.154 -0.085 1.00 0.86 H new ATOM 0 HG LEU A 36 10.494 4.724 -1.742 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.190 3.387 -0.147 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.649 4.071 0.609 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.056 4.800 0.926 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.050 4.602 -1.972 1.00 2.76 H new ATOM 0 HD22 LEU A 36 7.883 6.052 -0.954 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.685 6.165 -2.539 1.00 2.76 H new ATOM 501 N GLU A 37 11.148 9.681 -1.227 1.00 0.72 N ATOM 502 CA GLU A 37 11.615 10.938 -0.652 1.00 0.84 C ATOM 503 C GLU A 37 11.462 10.898 0.861 1.00 0.76 C ATOM 504 O GLU A 37 12.136 11.620 1.596 1.00 0.88 O ATOM 505 CB GLU A 37 10.820 12.105 -1.234 1.00 1.02 C ATOM 506 CG GLU A 37 10.960 12.240 -2.740 1.00 1.42 C ATOM 507 CD GLU A 37 12.367 12.601 -3.155 1.00 2.06 C ATOM 508 OE1 GLU A 37 12.645 13.805 -3.331 1.00 2.65 O ATOM 509 OE2 GLU A 37 13.205 11.690 -3.301 1.00 2.58 O ATOM 0 H GLU A 37 10.242 9.745 -1.692 1.00 0.72 H new ATOM 0 HA GLU A 37 12.668 11.076 -0.897 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.767 11.977 -0.985 1.00 1.02 H new ATOM 0 HB3 GLU A 37 11.149 13.031 -0.762 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.673 11.302 -3.215 1.00 1.42 H new ATOM 0 HG3 GLU A 37 10.270 13.003 -3.100 1.00 1.42 H new ATOM 516 N ASP A 38 10.550 10.049 1.308 1.00 0.61 N ATOM 517 CA ASP A 38 10.370 9.755 2.713 1.00 0.54 C ATOM 518 C ASP A 38 10.196 8.259 2.865 1.00 0.41 C ATOM 519 O ASP A 38 9.083 7.748 2.769 1.00 0.39 O ATOM 520 CB ASP A 38 9.150 10.478 3.296 1.00 0.60 C ATOM 521 CG ASP A 38 9.397 11.947 3.570 1.00 1.20 C ATOM 522 OD1 ASP A 38 8.962 12.789 2.758 1.00 1.20 O ATOM 523 OD2 ASP A 38 10.052 12.266 4.582 1.00 2.29 O ATOM 0 H ASP A 38 9.910 9.542 0.696 1.00 0.61 H new ATOM 0 HA ASP A 38 11.246 10.104 3.260 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.314 10.381 2.604 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.855 9.987 4.224 1.00 0.60 H new ATOM 528 N PRO A 39 11.296 7.526 3.083 1.00 0.41 N ATOM 529 CA PRO A 39 11.255 6.067 3.202 1.00 0.40 C ATOM 530 C PRO A 39 10.494 5.622 4.443 1.00 0.32 C ATOM 531 O PRO A 39 10.285 4.437 4.665 1.00 0.35 O ATOM 532 CB PRO A 39 12.730 5.666 3.298 1.00 0.57 C ATOM 533 CG PRO A 39 13.433 6.888 3.779 1.00 0.64 C ATOM 534 CD PRO A 39 12.663 8.057 3.232 1.00 0.57 C ATOM 0 HA PRO A 39 10.738 5.601 2.363 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.868 4.834 3.988 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.115 5.345 2.330 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.463 6.917 4.868 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.466 6.905 3.431 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.691 8.910 3.911 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.069 8.395 2.279 1.00 0.57 H new ATOM 542 N THR A 40 10.057 6.595 5.224 1.00 0.30 N ATOM 543 CA THR A 40 9.365 6.331 6.473 1.00 0.31 C ATOM 544 C THR A 40 7.908 5.949 6.230 1.00 0.28 C ATOM 545 O THR A 40 7.226 5.463 7.133 1.00 0.48 O ATOM 546 CB THR A 40 9.426 7.562 7.394 1.00 0.42 C ATOM 547 OG1 THR A 40 9.012 8.730 6.669 1.00 0.51 O ATOM 548 CG2 THR A 40 10.834 7.765 7.936 1.00 0.49 C ATOM 0 H THR A 40 10.171 7.586 5.011 1.00 0.30 H new ATOM 0 HA THR A 40 9.868 5.493 6.955 1.00 0.31 H new ATOM 0 HB THR A 40 8.754 7.397 8.236 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.050 9.512 7.259 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.852 8.641 8.584 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.135 6.886 8.506 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.525 7.914 7.106 1.00 0.49 H new ATOM 556 N VAL A 41 7.436 6.166 5.005 1.00 0.20 N ATOM 557 CA VAL A 41 6.053 5.875 4.655 1.00 0.17 C ATOM 558 C VAL A 41 5.798 4.372 4.608 1.00 0.14 C ATOM 559 O VAL A 41 6.723 3.572 4.433 1.00 0.15 O ATOM 560 CB VAL A 41 5.660 6.495 3.296 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.813 8.007 3.330 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.479 5.897 2.160 1.00 0.23 C ATOM 0 H VAL A 41 7.994 6.543 4.239 1.00 0.20 H new ATOM 0 HA VAL A 41 5.438 6.322 5.436 1.00 0.17 H new ATOM 0 HB VAL A 41 4.612 6.260 3.113 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.531 8.423 2.363 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.168 8.421 4.105 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.850 8.263 3.547 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.180 6.353 1.216 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.538 6.087 2.335 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.307 4.822 2.114 1.00 0.23 H new ATOM 572 N LEU A 42 4.541 3.996 4.779 1.00 0.14 N ATOM 573 CA LEU A 42 4.147 2.601 4.721 1.00 0.14 C ATOM 574 C LEU A 42 3.863 2.193 3.289 1.00 0.12 C ATOM 575 O LEU A 42 3.112 2.868 2.579 1.00 0.15 O ATOM 576 CB LEU A 42 2.907 2.351 5.582 1.00 0.16 C ATOM 577 CG LEU A 42 3.079 2.629 7.076 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.775 2.384 7.818 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.189 1.766 7.649 1.00 0.22 C ATOM 0 H LEU A 42 3.773 4.643 4.960 1.00 0.14 H new ATOM 0 HA LEU A 42 4.970 2.001 5.109 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.093 2.971 5.206 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.601 1.312 5.456 1.00 0.16 H new ATOM 0 HG LEU A 42 3.354 3.676 7.204 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.917 2.587 8.880 1.00 0.20 H new ATOM 0 HD12 LEU A 42 1.002 3.043 7.423 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.470 1.346 7.685 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.300 1.975 8.713 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.941 0.714 7.510 1.00 0.22 H new ATOM 0 HD23 LEU A 42 5.125 1.989 7.136 1.00 0.22 H new ATOM 591 N ILE A 43 4.472 1.099 2.867 1.00 0.11 N ATOM 592 CA ILE A 43 4.232 0.564 1.541 1.00 0.10 C ATOM 593 C ILE A 43 3.502 -0.765 1.638 1.00 0.11 C ATOM 594 O ILE A 43 3.726 -1.547 2.564 1.00 0.15 O ATOM 595 CB ILE A 43 5.527 0.392 0.714 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.591 -0.383 1.492 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.064 1.752 0.289 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.801 -0.743 0.655 1.00 0.14 C ATOM 0 H ILE A 43 5.137 0.564 3.425 1.00 0.11 H new ATOM 0 HA ILE A 43 3.614 1.293 1.017 1.00 0.10 H new ATOM 0 HB ILE A 43 5.281 -0.187 -0.176 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.913 0.213 2.346 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.148 -1.296 1.889 1.00 0.11 H new ATOM 0 HG21 ILE A 43 6.976 1.618 -0.293 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.318 2.264 -0.319 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.283 2.349 1.174 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.517 -1.291 1.267 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.491 -1.365 -0.185 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.267 0.168 0.279 1.00 0.14 H new ATOM 610 N GLY A 44 2.618 -1.012 0.693 1.00 0.13 N ATOM 611 CA GLY A 44 1.813 -2.207 0.739 1.00 0.16 C ATOM 612 C GLY A 44 2.050 -3.126 -0.434 1.00 0.17 C ATOM 613 O GLY A 44 1.624 -2.847 -1.549 1.00 0.31 O ATOM 0 H GLY A 44 2.442 -0.405 -0.108 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.025 -2.745 1.663 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.760 -1.928 0.767 1.00 0.16 H new ATOM 617 N ASP A 45 2.730 -4.226 -0.183 1.00 0.18 N ATOM 618 CA ASP A 45 2.939 -5.240 -1.203 1.00 0.20 C ATOM 619 C ASP A 45 1.674 -6.073 -1.349 1.00 0.20 C ATOM 620 O ASP A 45 1.004 -6.361 -0.358 1.00 0.29 O ATOM 621 CB ASP A 45 4.127 -6.135 -0.838 1.00 0.32 C ATOM 622 CG ASP A 45 4.315 -7.283 -1.810 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.971 -7.082 -2.852 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.812 -8.392 -1.538 1.00 0.57 O ATOM 0 H ASP A 45 3.150 -4.443 0.721 1.00 0.18 H new ATOM 0 HA ASP A 45 3.163 -4.752 -2.152 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.036 -5.533 -0.813 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.981 -6.534 0.166 1.00 0.32 H new ATOM 629 N GLY A 46 1.325 -6.427 -2.573 1.00 0.18 N ATOM 630 CA GLY A 46 0.142 -7.233 -2.787 1.00 0.21 C ATOM 631 C GLY A 46 -1.130 -6.436 -2.592 1.00 0.18 C ATOM 632 O GLY A 46 -2.103 -6.929 -2.027 1.00 0.18 O ATOM 0 H GLY A 46 1.835 -6.173 -3.419 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.161 -7.644 -3.796 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.150 -8.078 -2.098 1.00 0.21 H new ATOM 636 N CYS A 47 -1.120 -5.198 -3.052 1.00 0.17 N ATOM 637 CA CYS A 47 -2.215 -4.284 -2.792 1.00 0.15 C ATOM 638 C CYS A 47 -3.083 -4.099 -4.021 1.00 0.19 C ATOM 639 O CYS A 47 -2.628 -3.616 -5.058 1.00 0.25 O ATOM 640 CB CYS A 47 -1.669 -2.936 -2.342 1.00 0.15 C ATOM 641 SG CYS A 47 -2.659 -2.124 -1.048 1.00 0.12 S ATOM 0 H CYS A 47 -0.363 -4.802 -3.609 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.831 -4.713 -2.002 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.652 -3.073 -1.974 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.608 -2.274 -3.206 1.00 0.15 H new ATOM 646 N ASP A 48 -4.325 -4.525 -3.906 1.00 0.19 N ATOM 647 CA ASP A 48 -5.312 -4.297 -4.948 1.00 0.24 C ATOM 648 C ASP A 48 -6.237 -3.157 -4.560 1.00 0.21 C ATOM 649 O ASP A 48 -6.675 -3.061 -3.415 1.00 0.19 O ATOM 650 CB ASP A 48 -6.106 -5.569 -5.243 1.00 0.30 C ATOM 651 CG ASP A 48 -7.425 -5.318 -5.953 1.00 1.50 C ATOM 652 OD1 ASP A 48 -7.423 -5.141 -7.191 1.00 2.21 O ATOM 653 OD2 ASP A 48 -8.468 -5.272 -5.273 1.00 2.02 O ATOM 0 H ASP A 48 -4.679 -5.035 -3.096 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.786 -4.018 -5.861 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -5.496 -6.233 -5.855 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.302 -6.089 -4.305 1.00 0.30 H new ATOM 658 N PRO A 49 -6.525 -2.276 -5.517 1.00 0.26 N ATOM 659 CA PRO A 49 -7.425 -1.143 -5.316 1.00 0.28 C ATOM 660 C PRO A 49 -8.821 -1.615 -4.939 1.00 0.31 C ATOM 661 O PRO A 49 -9.459 -2.332 -5.710 1.00 0.37 O ATOM 662 CB PRO A 49 -7.458 -0.443 -6.681 1.00 0.35 C ATOM 663 CG PRO A 49 -6.329 -1.014 -7.473 1.00 0.44 C ATOM 664 CD PRO A 49 -6.006 -2.355 -6.881 1.00 0.34 C ATOM 0 HA PRO A 49 -7.090 -0.491 -4.509 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.410 -0.614 -7.183 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.347 0.635 -6.568 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.607 -1.113 -8.522 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.460 -0.357 -7.434 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.478 -3.162 -7.441 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.933 -2.546 -6.889 1.00 0.34 H new ATOM 672 N ILE A 50 -9.298 -1.219 -3.764 1.00 0.30 N ATOM 673 CA ILE A 50 -10.585 -1.697 -3.282 1.00 0.36 C ATOM 674 C ILE A 50 -11.713 -1.013 -4.032 1.00 0.43 C ATOM 675 O ILE A 50 -12.196 0.047 -3.633 1.00 0.46 O ATOM 676 CB ILE A 50 -10.773 -1.486 -1.764 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.623 -2.123 -0.988 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.090 -2.094 -1.314 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.761 -1.994 0.513 1.00 0.31 C ATOM 0 H ILE A 50 -8.818 -0.575 -3.135 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.608 -2.771 -3.467 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.782 -0.415 -1.564 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.560 -3.179 -1.249 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.686 -1.662 -1.299 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.214 -1.940 -0.242 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -12.912 -1.616 -1.847 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.090 -3.162 -1.530 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.909 -2.469 0.999 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.793 -0.939 0.786 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.681 -2.481 0.837 1.00 0.31 H new ATOM 782 N CYS A 59 -11.704 -6.674 1.317 1.00 0.45 N ATOM 783 CA CYS A 59 -10.266 -6.814 1.473 1.00 0.54 C ATOM 784 C CYS A 59 -9.934 -8.201 2.013 1.00 0.55 C ATOM 785 O CYS A 59 -10.709 -8.775 2.778 1.00 0.74 O ATOM 786 CB CYS A 59 -9.729 -5.725 2.406 1.00 0.73 C ATOM 787 SG CYS A 59 -7.937 -5.827 2.732 1.00 0.74 S ATOM 0 HA CYS A 59 -9.788 -6.698 0.500 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.952 -4.750 1.973 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.262 -5.781 3.355 1.00 0.73 H new ATOM 792 N SER A 60 -8.798 -8.745 1.601 1.00 0.64 N ATOM 793 CA SER A 60 -8.413 -10.089 2.000 1.00 0.86 C ATOM 794 C SER A 60 -7.121 -10.083 2.820 1.00 0.71 C ATOM 795 O SER A 60 -6.497 -11.127 3.010 1.00 1.05 O ATOM 796 CB SER A 60 -8.251 -10.972 0.762 1.00 1.24 C ATOM 797 OG SER A 60 -8.105 -12.340 1.113 1.00 2.14 O ATOM 0 H SER A 60 -8.128 -8.276 0.991 1.00 0.64 H new ATOM 0 HA SER A 60 -9.203 -10.494 2.632 1.00 0.86 H new ATOM 0 HB2 SER A 60 -9.118 -10.853 0.113 1.00 1.24 H new ATOM 0 HB3 SER A 60 -7.380 -10.646 0.193 1.00 1.24 H new ATOM 0 HG SER A 60 -7.530 -12.415 1.903 1.00 2.14 H new ATOM 803 N ALA A 61 -6.718 -8.916 3.307 1.00 0.38 N ATOM 804 CA ALA A 61 -5.511 -8.821 4.119 1.00 0.32 C ATOM 805 C ALA A 61 -5.531 -7.583 5.012 1.00 0.32 C ATOM 806 O ALA A 61 -5.800 -7.680 6.208 1.00 0.54 O ATOM 807 CB ALA A 61 -4.268 -8.836 3.239 1.00 0.38 C ATOM 0 H ALA A 61 -7.203 -8.031 3.156 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.481 -9.694 4.771 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.378 -8.764 3.865 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.237 -9.765 2.669 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.298 -7.990 2.552 1.00 0.38 H new ATOM 813 N THR A 62 -5.245 -6.422 4.439 1.00 0.22 N ATOM 814 CA THR A 62 -5.216 -5.181 5.203 1.00 0.19 C ATOM 815 C THR A 62 -5.634 -3.998 4.331 1.00 0.18 C ATOM 816 O THR A 62 -5.110 -3.808 3.236 1.00 0.20 O ATOM 817 CB THR A 62 -3.806 -4.925 5.777 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.330 -6.099 6.452 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.812 -3.753 6.748 1.00 0.24 C ATOM 0 H THR A 62 -5.030 -6.313 3.448 1.00 0.22 H new ATOM 0 HA THR A 62 -5.922 -5.282 6.027 1.00 0.19 H new ATOM 0 HB THR A 62 -3.144 -4.684 4.945 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.434 -5.929 6.812 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.805 -3.597 7.136 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.145 -2.853 6.230 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.490 -3.968 7.574 1.00 0.24 H new ATOM 827 N ALA A 63 -6.575 -3.205 4.822 1.00 0.19 N ATOM 828 CA ALA A 63 -7.065 -2.056 4.083 1.00 0.20 C ATOM 829 C ALA A 63 -6.243 -0.830 4.432 1.00 0.17 C ATOM 830 O ALA A 63 -5.931 -0.589 5.598 1.00 0.19 O ATOM 831 CB ALA A 63 -8.536 -1.812 4.381 1.00 0.25 C ATOM 0 H ALA A 63 -7.014 -3.339 5.733 1.00 0.19 H new ATOM 0 HA ALA A 63 -6.965 -2.258 3.017 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.883 -0.946 3.817 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.116 -2.689 4.093 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.665 -1.626 5.447 1.00 0.25 H new ATOM 837 N VAL A 64 -5.879 -0.067 3.424 1.00 0.14 N ATOM 838 CA VAL A 64 -5.052 1.108 3.624 1.00 0.13 C ATOM 839 C VAL A 64 -5.454 2.230 2.678 1.00 0.14 C ATOM 840 O VAL A 64 -6.079 2.000 1.643 1.00 0.21 O ATOM 841 CB VAL A 64 -3.565 0.789 3.398 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.982 -0.020 4.548 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.400 0.050 2.088 1.00 0.19 C ATOM 0 H VAL A 64 -6.143 -0.238 2.454 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.203 1.427 4.655 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.015 1.729 3.355 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.930 -0.226 4.352 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.074 0.546 5.475 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.524 -0.961 4.642 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.346 -0.176 1.928 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -3.969 -0.879 2.120 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.766 0.672 1.271 1.00 0.19 H new ATOM 853 N CYS A 65 -5.095 3.440 3.054 1.00 0.17 N ATOM 854 CA CYS A 65 -5.316 4.603 2.219 1.00 0.17 C ATOM 855 C CYS A 65 -3.985 5.104 1.686 1.00 0.13 C ATOM 856 O CYS A 65 -3.204 5.703 2.423 1.00 0.14 O ATOM 857 CB CYS A 65 -6.008 5.708 3.021 1.00 0.23 C ATOM 858 SG CYS A 65 -6.082 7.318 2.166 1.00 0.39 S ATOM 0 H CYS A 65 -4.643 3.645 3.945 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.959 4.326 1.384 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.023 5.388 3.258 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.484 5.836 3.968 1.00 0.23 H new ATOM 0 HG CYS A 65 -6.686 8.184 2.924 1.00 0.39 H new ATOM 863 N CYS A 66 -3.717 4.839 0.419 1.00 0.12 N ATOM 864 CA CYS A 66 -2.454 5.236 -0.178 1.00 0.13 C ATOM 865 C CYS A 66 -2.556 6.615 -0.808 1.00 0.16 C ATOM 866 O CYS A 66 -3.386 6.855 -1.686 1.00 0.23 O ATOM 867 CB CYS A 66 -2.019 4.195 -1.198 1.00 0.19 C ATOM 868 SG CYS A 66 -1.897 2.525 -0.485 1.00 0.65 S ATOM 0 H CYS A 66 -4.353 4.353 -0.213 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.698 5.294 0.605 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.730 4.182 -2.024 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.052 4.480 -1.613 1.00 0.19 H new ATOM 873 N SER A 67 -1.717 7.521 -0.326 1.00 0.24 N ATOM 874 CA SER A 67 -1.696 8.891 -0.807 1.00 0.29 C ATOM 875 C SER A 67 -0.962 8.972 -2.140 1.00 0.32 C ATOM 876 O SER A 67 -1.158 9.906 -2.918 1.00 0.41 O ATOM 877 CB SER A 67 -1.034 9.793 0.239 1.00 0.35 C ATOM 878 OG SER A 67 -1.177 11.166 -0.086 1.00 1.15 O ATOM 0 H SER A 67 -1.035 7.326 0.407 1.00 0.24 H new ATOM 0 HA SER A 67 -2.719 9.234 -0.966 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.477 9.602 1.216 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.025 9.545 0.315 1.00 0.35 H new ATOM 0 HG SER A 67 -0.744 11.712 0.603 1.00 1.15 H new ATOM 884 N ASP A 68 -0.128 7.979 -2.400 1.00 0.30 N ATOM 885 CA ASP A 68 0.614 7.905 -3.651 1.00 0.37 C ATOM 886 C ASP A 68 0.001 6.825 -4.535 1.00 0.44 C ATOM 887 O ASP A 68 -0.535 5.839 -4.028 1.00 0.57 O ATOM 888 CB ASP A 68 2.089 7.596 -3.382 1.00 0.43 C ATOM 889 CG ASP A 68 2.983 7.944 -4.555 1.00 1.03 C ATOM 890 OD1 ASP A 68 2.770 7.410 -5.662 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.908 8.759 -4.376 1.00 1.52 O ATOM 0 H ASP A 68 0.054 7.208 -1.758 1.00 0.30 H new ATOM 0 HA ASP A 68 0.556 8.867 -4.160 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.418 8.150 -2.503 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.197 6.537 -3.150 1.00 0.43 H new ATOM 896 N ASN A 69 0.074 7.003 -5.846 1.00 0.53 N ATOM 897 CA ASN A 69 -0.575 6.080 -6.767 1.00 0.63 C ATOM 898 C ASN A 69 0.417 5.389 -7.700 1.00 0.59 C ATOM 899 O ASN A 69 0.009 4.668 -8.610 1.00 0.64 O ATOM 900 CB ASN A 69 -1.659 6.801 -7.588 1.00 0.84 C ATOM 901 CG ASN A 69 -1.169 8.045 -8.329 1.00 1.67 C ATOM 902 OD1 ASN A 69 -1.928 8.995 -8.518 1.00 2.35 O ATOM 903 ND2 ASN A 69 0.076 8.049 -8.780 1.00 2.49 N ATOM 0 H ASN A 69 0.572 7.772 -6.294 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.041 5.306 -6.157 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -2.073 6.101 -8.313 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -2.472 7.087 -6.921 1.00 0.84 H new ATOM 0 HD21 ASN A 69 0.428 8.854 -9.299 1.00 2.49 H new ATOM 0 HD22 ASN A 69 0.683 7.247 -8.609 1.00 2.49 H new ATOM 910 N ASN A 70 1.711 5.609 -7.494 1.00 0.59 N ATOM 911 CA ASN A 70 2.715 4.982 -8.349 1.00 0.64 C ATOM 912 C ASN A 70 2.979 3.555 -7.867 1.00 0.55 C ATOM 913 O ASN A 70 3.463 3.321 -6.759 1.00 0.86 O ATOM 914 CB ASN A 70 4.003 5.829 -8.439 1.00 0.83 C ATOM 915 CG ASN A 70 5.073 5.484 -7.417 1.00 1.50 C ATOM 916 OD1 ASN A 70 5.970 4.677 -7.685 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.997 6.093 -6.249 1.00 2.27 N ATOM 0 H ASN A 70 2.086 6.206 -6.756 1.00 0.59 H new ATOM 0 HA ASN A 70 2.329 4.928 -9.367 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.426 5.715 -9.437 1.00 0.83 H new ATOM 0 HB3 ASN A 70 3.737 6.880 -8.324 1.00 0.83 H new ATOM 0 HD21 ASN A 70 5.694 5.904 -5.529 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.241 6.753 -6.066 1.00 2.27 H new ATOM 924 N VAL A 71 2.578 2.598 -8.685 1.00 0.41 N ATOM 925 CA VAL A 71 2.609 1.196 -8.306 1.00 0.38 C ATOM 926 C VAL A 71 3.461 0.387 -9.283 1.00 0.33 C ATOM 927 O VAL A 71 3.387 0.579 -10.495 1.00 0.38 O ATOM 928 CB VAL A 71 1.171 0.631 -8.244 1.00 0.52 C ATOM 929 CG1 VAL A 71 1.149 -0.866 -8.003 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.364 1.353 -7.176 1.00 1.03 C ATOM 0 H VAL A 71 2.223 2.769 -9.626 1.00 0.41 H new ATOM 0 HA VAL A 71 3.061 1.115 -7.318 1.00 0.38 H new ATOM 0 HB VAL A 71 0.714 0.806 -9.218 1.00 0.52 H new ATOM 0 HG11 VAL A 71 0.117 -1.214 -7.968 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.675 -1.373 -8.812 1.00 1.10 H new ATOM 0 HG13 VAL A 71 1.640 -1.089 -7.056 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.646 0.944 -7.145 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.841 1.217 -6.205 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.318 2.416 -7.412 1.00 1.03 H new ATOM 940 N SER A 72 4.271 -0.510 -8.733 1.00 0.32 N ATOM 941 CA SER A 72 5.182 -1.341 -9.518 1.00 0.37 C ATOM 942 C SER A 72 4.429 -2.477 -10.205 1.00 0.42 C ATOM 943 O SER A 72 5.010 -3.278 -10.940 1.00 0.55 O ATOM 944 CB SER A 72 6.250 -1.925 -8.596 1.00 0.45 C ATOM 945 OG SER A 72 5.671 -2.834 -7.671 1.00 1.41 O ATOM 0 H SER A 72 4.316 -0.683 -7.729 1.00 0.32 H new ATOM 0 HA SER A 72 5.645 -0.721 -10.285 1.00 0.37 H new ATOM 0 HB2 SER A 72 7.010 -2.435 -9.188 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.752 -1.121 -8.058 1.00 0.45 H new ATOM 0 HG SER A 72 5.948 -3.747 -7.893 1.00 1.41 H new ATOM 951 N GLY A 73 3.135 -2.530 -9.957 1.00 0.39 N ATOM 952 CA GLY A 73 2.306 -3.591 -10.476 1.00 0.48 C ATOM 953 C GLY A 73 1.490 -4.261 -9.399 1.00 0.41 C ATOM 954 O GLY A 73 0.370 -4.702 -9.654 1.00 0.48 O ATOM 0 H GLY A 73 2.635 -1.842 -9.394 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.638 -3.187 -11.237 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.935 -4.334 -10.966 1.00 0.48 H new ATOM 958 N VAL A 74 2.022 -4.325 -8.180 1.00 0.31 N ATOM 959 CA VAL A 74 1.290 -4.960 -7.090 1.00 0.28 C ATOM 960 C VAL A 74 1.403 -4.194 -5.775 1.00 0.22 C ATOM 961 O VAL A 74 0.765 -4.554 -4.793 1.00 0.34 O ATOM 962 CB VAL A 74 1.767 -6.407 -6.848 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.748 -7.209 -8.138 1.00 0.49 C ATOM 964 CG2 VAL A 74 3.147 -6.427 -6.213 1.00 0.38 C ATOM 0 H VAL A 74 2.937 -3.953 -7.927 1.00 0.31 H new ATOM 0 HA VAL A 74 0.248 -4.959 -7.409 1.00 0.28 H new ATOM 0 HB VAL A 74 1.072 -6.877 -6.152 1.00 0.37 H new ATOM 0 HG11 VAL A 74 2.089 -8.225 -7.940 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.733 -7.237 -8.534 1.00 0.49 H new ATOM 0 HG13 VAL A 74 2.409 -6.741 -8.867 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.459 -7.459 -6.053 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.858 -5.931 -6.873 1.00 0.38 H new ATOM 0 HG23 VAL A 74 3.115 -5.906 -5.256 1.00 0.38 H new ATOM 974 N ILE A 75 2.218 -3.154 -5.742 1.00 0.18 N ATOM 975 CA ILE A 75 2.473 -2.450 -4.488 1.00 0.17 C ATOM 976 C ILE A 75 1.546 -1.266 -4.262 1.00 0.16 C ATOM 977 O ILE A 75 0.637 -1.001 -5.042 1.00 0.20 O ATOM 978 CB ILE A 75 3.911 -1.929 -4.411 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.202 -1.008 -5.589 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.878 -3.087 -4.396 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.169 0.103 -5.259 1.00 0.30 C ATOM 0 H ILE A 75 2.710 -2.779 -6.553 1.00 0.18 H new ATOM 0 HA ILE A 75 2.292 -3.196 -3.715 1.00 0.17 H new ATOM 0 HB ILE A 75 4.032 -1.359 -3.490 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.606 -1.599 -6.411 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.266 -0.573 -5.940 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.899 -2.708 -4.341 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.678 -3.717 -3.529 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.757 -3.674 -5.307 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.330 0.720 -6.143 1.00 0.30 H new ATOM 0 HD12 ILE A 75 4.758 0.717 -4.458 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.118 -0.325 -4.937 1.00 0.30 H new ATOM 993 N ALA A 76 1.803 -0.581 -3.160 1.00 0.15 N ATOM 994 CA ALA A 76 1.123 0.647 -2.800 1.00 0.16 C ATOM 995 C ALA A 76 2.075 1.506 -1.972 1.00 0.14 C ATOM 996 O ALA A 76 2.851 0.967 -1.182 1.00 0.15 O ATOM 997 CB ALA A 76 -0.132 0.325 -2.015 1.00 0.18 C ATOM 0 H ALA A 76 2.505 -0.871 -2.479 1.00 0.15 H new ATOM 0 HA ALA A 76 0.831 1.195 -3.696 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.641 1.251 -1.746 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.795 -0.289 -2.624 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.135 -0.219 -1.109 1.00 0.18 H new ATOM 1003 N ILE A 77 2.048 2.820 -2.155 1.00 0.15 N ATOM 1004 CA ILE A 77 2.996 3.693 -1.467 1.00 0.16 C ATOM 1005 C ILE A 77 2.298 4.818 -0.702 1.00 0.16 C ATOM 1006 O ILE A 77 1.320 5.399 -1.177 1.00 0.21 O ATOM 1007 CB ILE A 77 4.009 4.296 -2.466 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.761 3.173 -3.182 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.985 5.225 -1.756 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.747 3.660 -4.217 1.00 0.26 C ATOM 0 H ILE A 77 1.389 3.302 -2.766 1.00 0.15 H new ATOM 0 HA ILE A 77 3.524 3.073 -0.743 1.00 0.16 H new ATOM 0 HB ILE A 77 3.463 4.885 -3.203 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.292 2.575 -2.441 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.038 2.515 -3.664 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.688 5.637 -2.480 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.434 6.038 -1.282 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.532 4.666 -0.997 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.240 2.805 -4.680 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.220 4.233 -4.980 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.494 4.294 -3.738 1.00 0.26 H new ATOM 1022 N GLY A 78 2.811 5.110 0.495 1.00 0.16 N ATOM 1023 CA GLY A 78 2.279 6.193 1.301 1.00 0.17 C ATOM 1024 C GLY A 78 0.893 5.882 1.807 1.00 0.15 C ATOM 1025 O GLY A 78 -0.031 6.676 1.639 1.00 0.17 O ATOM 0 H GLY A 78 3.591 4.609 0.920 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.942 6.378 2.146 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.254 7.108 0.710 1.00 0.17 H new ATOM 1029 N CYS A 79 0.748 4.725 2.425 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.563 4.237 2.812 1.00 0.13 C ATOM 1031 C CYS A 79 -0.762 4.284 4.319 1.00 0.13 C ATOM 1032 O CYS A 79 0.149 3.983 5.089 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.744 2.812 2.303 1.00 0.15 C ATOM 1034 SG CYS A 79 -0.178 2.569 0.591 1.00 0.65 S ATOM 0 H CYS A 79 1.521 4.106 2.670 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.313 4.889 2.364 1.00 0.13 H new ATOM 0 HB2 CYS A 79 -0.199 2.130 2.956 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.798 2.543 2.369 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.954 4.691 4.731 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.336 4.664 6.135 1.00 0.15 C ATOM 1041 C LEU A 80 -3.377 3.575 6.373 1.00 0.15 C ATOM 1042 O LEU A 80 -4.347 3.465 5.624 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.893 6.015 6.570 1.00 0.19 C ATOM 1044 CG LEU A 80 -1.928 7.195 6.440 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.618 8.491 6.833 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.694 6.968 7.297 1.00 0.26 C ATOM 0 H LEU A 80 -2.678 5.047 4.107 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.447 4.448 6.728 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.784 6.229 5.979 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.211 5.940 7.610 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.615 7.273 5.399 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.918 9.320 6.735 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.474 8.660 6.180 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -2.958 8.423 7.866 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.018 7.817 7.193 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -0.990 6.866 8.341 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.188 6.059 6.972 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.178 2.754 7.411 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.065 1.623 7.725 1.00 0.17 C ATOM 1060 C PRO A 81 -5.490 2.052 8.082 1.00 0.21 C ATOM 1061 O PRO A 81 -5.703 2.834 9.012 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.398 0.961 8.936 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.002 1.478 8.952 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.064 2.856 8.363 1.00 0.17 C ATOM 0 HA PRO A 81 -4.179 0.966 6.863 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.921 1.213 9.859 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.413 -0.125 8.848 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.608 1.505 9.968 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.341 0.835 8.371 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.251 3.613 9.124 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.132 3.126 7.867 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.458 1.529 7.341 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.857 1.798 7.580 1.00 0.30 C ATOM 1074 C VAL A 82 -8.631 0.492 7.673 1.00 0.39 C ATOM 1075 O VAL A 82 -8.168 -0.544 7.207 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.475 2.665 6.467 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.991 4.103 6.565 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.160 2.095 5.094 1.00 0.20 C ATOM 0 H VAL A 82 -6.286 0.903 6.554 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.923 2.346 8.520 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.556 2.656 6.603 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.442 4.694 5.768 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.278 4.518 7.531 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.906 4.129 6.466 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.608 2.726 4.327 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.080 2.063 4.952 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.566 1.086 5.017 1.00 0.20 H new