USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 32 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.8!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0964 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.218 USER MOD Single : A 34 GLN : amide:sc= -3.85! C(o=-3.9!,f=-3.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -106:sc= 1.01 USER MOD Single : A 61 CYS SG : rot 140:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0661 X(o=-0.066,f=-0.43) USER MOD Single : A 71 MET CE :methyl 142:sc= -0.567 (180deg=-2.29!) USER MOD Single : A 74 ASN : amide:sc= -4.06! C(o=-4.1!,f=-6.3!) USER MOD Single : A 78 THR OG1 : rot 23:sc= -2.77! USER MOD Single : A 81 SER OG : rot -137:sc= 0.366 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0237 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.35 F(o=-2.6!,f=-1.3) USER MOD Single : A 88 GLN : amide:sc= -0.974 X(o=-0.97,f=-0.72) USER MOD Single : A 93 SER OG : rot 46:sc= 1.04 USER MOD Single : A 94 SER OG : rot -98:sc= 0.534 USER MOD Single : A 96 THR OG1 : rot -33:sc= 0.591 USER MOD Single : A 97 SER OG : rot 37:sc= 0.105 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.975 -11.452 -2.347 1.00 0.00 N ATOM 133 CA HIS A 13 13.717 -10.682 -1.141 1.00 0.00 C ATOM 134 C HIS A 13 12.705 -9.576 -1.445 1.00 0.00 C ATOM 135 O HIS A 13 12.439 -9.275 -2.608 1.00 0.00 O ATOM 136 CB HIS A 13 15.021 -10.146 -0.549 1.00 0.00 C ATOM 137 CG HIS A 13 15.728 -9.143 -1.428 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.425 -9.504 -2.568 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.838 -7.787 -1.324 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.928 -8.408 -3.117 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.563 -7.345 -2.344 1.00 0.00 N ATOM 0 HA HIS A 13 13.279 -11.328 -0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.807 -9.683 0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.692 -10.983 -0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.408 -7.177 -0.544 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.522 -8.364 -4.018 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.807 -6.371 -2.521 1.00 0.00 H new ATOM 149 N THR A 14 12.167 -9.000 -0.380 1.00 0.00 N ATOM 150 CA THR A 14 11.191 -7.934 -0.518 1.00 0.00 C ATOM 151 C THR A 14 11.560 -6.752 0.381 1.00 0.00 C ATOM 152 O THR A 14 11.932 -6.941 1.539 1.00 0.00 O ATOM 153 CB THR A 14 9.808 -8.516 -0.218 1.00 0.00 C ATOM 154 OG1 THR A 14 10.063 -9.535 0.746 1.00 0.00 O ATOM 155 CG2 THR A 14 9.220 -9.272 -1.411 1.00 0.00 C ATOM 0 H THR A 14 12.389 -9.252 0.583 1.00 0.00 H new ATOM 0 HA THR A 14 11.180 -7.539 -1.534 1.00 0.00 H new ATOM 0 HB THR A 14 9.131 -7.713 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.219 -9.965 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.239 -9.665 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.122 -8.594 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.880 -10.097 -1.680 1.00 0.00 H new ATOM 163 N GLU A 15 11.445 -5.560 -0.185 1.00 0.00 N ATOM 164 CA GLU A 15 11.763 -4.348 0.551 1.00 0.00 C ATOM 165 C GLU A 15 10.517 -3.471 0.691 1.00 0.00 C ATOM 166 O GLU A 15 9.656 -3.464 -0.188 1.00 0.00 O ATOM 167 CB GLU A 15 12.902 -3.580 -0.122 1.00 0.00 C ATOM 168 CG GLU A 15 14.159 -4.446 -0.229 1.00 0.00 C ATOM 169 CD GLU A 15 15.373 -3.602 -0.624 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.222 -2.795 -1.566 1.00 0.00 O ATOM 171 OE2 GLU A 15 16.426 -3.785 0.026 1.00 0.00 O ATOM 0 H GLU A 15 11.136 -5.407 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 15 12.100 -4.629 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.591 -3.259 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.125 -2.678 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.348 -4.938 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.002 -5.232 -0.968 1.00 0.00 H new ATOM 178 N THR A 16 10.461 -2.751 1.802 1.00 0.00 N ATOM 179 CA THR A 16 9.335 -1.872 2.068 1.00 0.00 C ATOM 180 C THR A 16 9.714 -0.418 1.780 1.00 0.00 C ATOM 181 O THR A 16 10.847 -0.007 2.027 1.00 0.00 O ATOM 182 CB THR A 16 8.883 -2.107 3.511 1.00 0.00 C ATOM 183 OG1 THR A 16 10.009 -2.720 4.133 1.00 0.00 O ATOM 184 CG2 THR A 16 7.780 -3.162 3.614 1.00 0.00 C ATOM 0 H THR A 16 11.177 -2.758 2.528 1.00 0.00 H new ATOM 0 HA THR A 16 8.496 -2.093 1.408 1.00 0.00 H new ATOM 0 HB THR A 16 8.529 -1.168 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.803 -2.905 5.073 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.496 -3.290 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.912 -2.839 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.145 -4.110 3.218 1.00 0.00 H new ATOM 192 N THR A 17 8.744 0.321 1.261 1.00 0.00 N ATOM 193 CA THR A 17 8.962 1.720 0.935 1.00 0.00 C ATOM 194 C THR A 17 8.036 2.611 1.766 1.00 0.00 C ATOM 195 O THR A 17 6.886 2.254 2.016 1.00 0.00 O ATOM 196 CB THR A 17 8.775 1.889 -0.574 1.00 0.00 C ATOM 197 OG1 THR A 17 9.143 3.244 -0.819 1.00 0.00 O ATOM 198 CG2 THR A 17 7.305 1.821 -0.993 1.00 0.00 C ATOM 0 H THR A 17 7.805 -0.023 1.058 1.00 0.00 H new ATOM 0 HA THR A 17 9.975 2.032 1.188 1.00 0.00 H new ATOM 0 HB THR A 17 9.338 1.117 -1.098 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.053 3.440 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.228 1.947 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.890 0.854 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.748 2.614 -0.495 1.00 0.00 H new ATOM 206 N GLU A 18 8.572 3.753 2.171 1.00 0.00 N ATOM 207 CA GLU A 18 7.808 4.697 2.968 1.00 0.00 C ATOM 208 C GLU A 18 7.466 5.937 2.139 1.00 0.00 C ATOM 209 O GLU A 18 8.357 6.682 1.733 1.00 0.00 O ATOM 210 CB GLU A 18 8.567 5.081 4.240 1.00 0.00 C ATOM 211 CG GLU A 18 8.188 6.489 4.701 1.00 0.00 C ATOM 212 CD GLU A 18 8.529 6.693 6.179 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.187 5.787 6.970 1.00 0.00 O ATOM 214 OE2 GLU A 18 9.123 7.749 6.484 1.00 0.00 O ATOM 0 H GLU A 18 9.526 4.046 1.962 1.00 0.00 H new ATOM 0 HA GLU A 18 6.877 4.217 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.345 4.364 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.640 5.031 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.716 7.227 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.122 6.652 4.544 1.00 0.00 H new ATOM 221 N VAL A 19 6.174 6.119 1.912 1.00 0.00 N ATOM 222 CA VAL A 19 5.702 7.255 1.139 1.00 0.00 C ATOM 223 C VAL A 19 5.107 8.299 2.086 1.00 0.00 C ATOM 224 O VAL A 19 4.605 7.958 3.155 1.00 0.00 O ATOM 225 CB VAL A 19 4.714 6.787 0.069 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.287 6.752 0.618 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.801 7.666 -1.180 1.00 0.00 C ATOM 0 H VAL A 19 5.439 5.498 2.250 1.00 0.00 H new ATOM 0 HA VAL A 19 6.531 7.728 0.612 1.00 0.00 H new ATOM 0 HB VAL A 19 4.987 5.771 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.605 6.416 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.239 6.064 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.999 7.751 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.088 7.312 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.567 8.697 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.810 7.616 -1.590 1.00 0.00 H new ATOM 237 N VAL A 20 5.183 9.551 1.658 1.00 0.00 N ATOM 238 CA VAL A 20 4.659 10.647 2.454 1.00 0.00 C ATOM 239 C VAL A 20 3.686 11.469 1.605 1.00 0.00 C ATOM 240 O VAL A 20 4.108 12.249 0.752 1.00 0.00 O ATOM 241 CB VAL A 20 5.810 11.481 3.020 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.562 12.207 1.903 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.305 12.469 4.073 1.00 0.00 C ATOM 0 H VAL A 20 5.600 9.830 0.770 1.00 0.00 H new ATOM 0 HA VAL A 20 4.102 10.265 3.309 1.00 0.00 H new ATOM 0 HB VAL A 20 6.509 10.801 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.375 12.792 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.970 11.476 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.877 12.870 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.143 13.049 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.576 13.141 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.836 11.921 4.890 1.00 0.00 H new ATOM 253 N LEU A 21 2.404 11.266 1.868 1.00 0.00 N ATOM 254 CA LEU A 21 1.369 11.978 1.138 1.00 0.00 C ATOM 255 C LEU A 21 0.854 13.137 1.994 1.00 0.00 C ATOM 256 O LEU A 21 0.430 12.934 3.131 1.00 0.00 O ATOM 257 CB LEU A 21 0.271 11.013 0.686 1.00 0.00 C ATOM 258 CG LEU A 21 0.738 9.793 -0.112 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.365 8.736 -0.191 1.00 0.00 C ATOM 260 CD2 LEU A 21 1.240 10.203 -1.497 1.00 0.00 C ATOM 0 H LEU A 21 2.058 10.619 2.576 1.00 0.00 H new ATOM 0 HA LEU A 21 1.776 12.411 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.263 10.662 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.445 11.567 0.079 1.00 0.00 H new ATOM 0 HG LEU A 21 1.579 9.342 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.008 7.880 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.633 8.414 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.241 9.160 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.566 9.317 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.435 10.692 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.078 10.892 -1.391 1.00 0.00 H new ATOM 272 N THR A 22 0.907 14.327 1.414 1.00 0.00 N ATOM 273 CA THR A 22 0.451 15.519 2.109 1.00 0.00 C ATOM 274 C THR A 22 -1.011 15.810 1.767 1.00 0.00 C ATOM 275 O THR A 22 -1.318 16.247 0.659 1.00 0.00 O ATOM 276 CB THR A 22 1.398 16.666 1.752 1.00 0.00 C ATOM 277 OG1 THR A 22 2.695 16.080 1.822 1.00 0.00 O ATOM 278 CG2 THR A 22 1.425 17.759 2.823 1.00 0.00 C ATOM 0 H THR A 22 1.259 14.491 0.471 1.00 0.00 H new ATOM 0 HA THR A 22 0.478 15.380 3.190 1.00 0.00 H new ATOM 0 HB THR A 22 1.098 17.100 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.371 16.755 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.113 18.549 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.425 18.175 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.757 17.333 3.770 1.00 0.00 H new ATOM 286 N ALA A 23 -1.875 15.555 2.739 1.00 0.00 N ATOM 287 CA ALA A 23 -3.298 15.784 2.555 1.00 0.00 C ATOM 288 C ALA A 23 -3.503 17.052 1.724 1.00 0.00 C ATOM 289 O ALA A 23 -3.352 18.163 2.232 1.00 0.00 O ATOM 290 CB ALA A 23 -3.983 15.865 3.920 1.00 0.00 C ATOM 0 H ALA A 23 -1.617 15.192 3.657 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.752 14.956 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.050 16.037 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.833 14.929 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.555 16.687 4.494 1.00 0.00 H new ATOM 296 N ASP A 24 -3.844 16.845 0.461 1.00 0.00 N ATOM 297 CA ASP A 24 -4.071 17.958 -0.446 1.00 0.00 C ATOM 298 C ASP A 24 -4.900 19.028 0.266 1.00 0.00 C ATOM 299 O ASP A 24 -5.527 18.755 1.289 1.00 0.00 O ATOM 300 CB ASP A 24 -4.844 17.508 -1.687 1.00 0.00 C ATOM 301 CG ASP A 24 -4.188 17.865 -3.022 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.942 17.968 -3.032 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.947 18.027 -4.002 1.00 0.00 O ATOM 0 H ASP A 24 -3.969 15.923 0.044 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.100 18.350 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.976 16.427 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.839 17.952 -1.658 1.00 0.00 H new ATOM 308 N PRO A 25 -4.876 20.257 -0.318 1.00 0.00 N ATOM 309 CA PRO A 25 -5.618 21.370 0.250 1.00 0.00 C ATOM 310 C PRO A 25 -7.116 21.229 -0.028 1.00 0.00 C ATOM 311 O PRO A 25 -7.884 22.162 0.201 1.00 0.00 O ATOM 312 CB PRO A 25 -5.011 22.611 -0.383 1.00 0.00 C ATOM 313 CG PRO A 25 -4.273 22.129 -1.621 1.00 0.00 C ATOM 314 CD PRO A 25 -4.145 20.617 -1.529 1.00 0.00 C ATOM 0 HA PRO A 25 -5.542 21.415 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.784 23.333 -0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.331 23.109 0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.816 22.412 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.288 22.592 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.569 20.129 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.101 20.311 -1.467 1.00 0.00 H new ATOM 322 N VAL A 26 -7.487 20.055 -0.518 1.00 0.00 N ATOM 323 CA VAL A 26 -8.879 19.779 -0.829 1.00 0.00 C ATOM 324 C VAL A 26 -9.212 18.341 -0.429 1.00 0.00 C ATOM 325 O VAL A 26 -9.757 18.103 0.648 1.00 0.00 O ATOM 326 CB VAL A 26 -9.151 20.067 -2.307 1.00 0.00 C ATOM 327 CG1 VAL A 26 -9.332 21.567 -2.550 1.00 0.00 C ATOM 328 CG2 VAL A 26 -8.038 19.499 -3.190 1.00 0.00 C ATOM 0 H VAL A 26 -6.847 19.284 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.535 20.435 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.082 19.569 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.524 21.744 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.175 21.932 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.426 22.096 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.256 19.717 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.087 19.955 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.977 18.420 -3.050 1.00 0.00 H new ATOM 338 N THR A 27 -8.870 17.419 -1.317 1.00 0.00 N ATOM 339 CA THR A 27 -9.126 16.010 -1.070 1.00 0.00 C ATOM 340 C THR A 27 -8.329 15.528 0.144 1.00 0.00 C ATOM 341 O THR A 27 -8.897 15.289 1.209 1.00 0.00 O ATOM 342 CB THR A 27 -8.805 15.239 -2.352 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.475 15.637 -2.673 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.635 15.717 -3.545 1.00 0.00 C ATOM 0 H THR A 27 -8.418 17.620 -2.209 1.00 0.00 H new ATOM 0 HA THR A 27 -10.173 15.836 -0.822 1.00 0.00 H new ATOM 0 HB THR A 27 -8.981 14.176 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.186 15.182 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.369 15.138 -4.429 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.695 15.582 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.434 16.772 -3.729 1.00 0.00 H new ATOM 352 N GLY A 28 -7.026 15.401 -0.056 1.00 0.00 N ATOM 353 CA GLY A 28 -6.145 14.952 1.009 1.00 0.00 C ATOM 354 C GLY A 28 -5.139 13.922 0.491 1.00 0.00 C ATOM 355 O GLY A 28 -4.090 14.285 -0.038 1.00 0.00 O ATOM 0 H GLY A 28 -6.558 15.601 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.613 15.805 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.736 14.516 1.815 1.00 0.00 H new ATOM 359 N PHE A 29 -5.495 12.657 0.662 1.00 0.00 N ATOM 360 CA PHE A 29 -4.636 11.572 0.218 1.00 0.00 C ATOM 361 C PHE A 29 -5.264 10.822 -0.958 1.00 0.00 C ATOM 362 O PHE A 29 -4.560 10.185 -1.740 1.00 0.00 O ATOM 363 CB PHE A 29 -4.485 10.610 1.398 1.00 0.00 C ATOM 364 CG PHE A 29 -4.170 11.300 2.727 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.945 11.854 2.932 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.115 11.360 3.703 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.653 12.494 4.165 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.823 12.000 4.936 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.598 12.554 5.141 1.00 0.00 C ATOM 0 H PHE A 29 -6.366 12.359 1.102 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.675 11.969 -0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.406 10.038 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.691 9.897 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.194 11.807 2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.088 10.921 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.680 12.933 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.574 12.047 5.711 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.376 13.041 6.079 1.00 0.00 H new ATOM 379 N GLY A 30 -6.582 10.922 -1.047 1.00 0.00 N ATOM 380 CA GLY A 30 -7.313 10.261 -2.115 1.00 0.00 C ATOM 381 C GLY A 30 -6.903 8.792 -2.232 1.00 0.00 C ATOM 382 O GLY A 30 -6.237 8.403 -3.190 1.00 0.00 O ATOM 0 H GLY A 30 -7.163 11.451 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.384 10.329 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.125 10.771 -3.060 1.00 0.00 H new ATOM 386 N ILE A 31 -7.319 8.014 -1.243 1.00 0.00 N ATOM 387 CA ILE A 31 -7.004 6.596 -1.222 1.00 0.00 C ATOM 388 C ILE A 31 -8.181 5.825 -0.623 1.00 0.00 C ATOM 389 O ILE A 31 -8.834 6.303 0.303 1.00 0.00 O ATOM 390 CB ILE A 31 -5.677 6.352 -0.499 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.622 7.373 -0.931 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.199 4.913 -0.702 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.245 7.007 -0.373 1.00 0.00 C ATOM 0 H ILE A 31 -7.872 8.340 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.861 6.223 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.840 6.489 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.577 7.417 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.907 8.366 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.254 4.766 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.944 4.223 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.057 4.723 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.513 7.748 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.287 6.987 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.952 6.024 -0.742 1.00 0.00 H new ATOM 405 N GLN A 32 -8.417 4.644 -1.176 1.00 0.00 N ATOM 406 CA GLN A 32 -9.505 3.802 -0.708 1.00 0.00 C ATOM 407 C GLN A 32 -8.983 2.408 -0.355 1.00 0.00 C ATOM 408 O GLN A 32 -8.066 1.903 -1.002 1.00 0.00 O ATOM 409 CB GLN A 32 -10.623 3.722 -1.749 1.00 0.00 C ATOM 410 CG GLN A 32 -11.741 4.716 -1.430 1.00 0.00 C ATOM 411 CD GLN A 32 -13.116 4.097 -1.688 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.251 2.919 -1.974 1.00 0.00 O ATOM 413 NE2 GLN A 32 -14.127 4.954 -1.572 1.00 0.00 N ATOM 0 H GLN A 32 -7.873 4.250 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.924 4.250 0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.218 3.930 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.028 2.710 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.669 5.028 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.621 5.611 -2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.945 5.928 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.084 4.637 -1.725 1.00 0.00 H new ATOM 422 N LEU A 33 -9.588 1.826 0.669 1.00 0.00 N ATOM 423 CA LEU A 33 -9.196 0.500 1.115 1.00 0.00 C ATOM 424 C LEU A 33 -10.275 -0.508 0.715 1.00 0.00 C ATOM 425 O LEU A 33 -11.427 -0.136 0.497 1.00 0.00 O ATOM 426 CB LEU A 33 -8.888 0.508 2.614 1.00 0.00 C ATOM 427 CG LEU A 33 -8.018 1.663 3.114 1.00 0.00 C ATOM 428 CD1 LEU A 33 -8.055 1.757 4.640 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.588 1.542 2.582 1.00 0.00 C ATOM 0 H LEU A 33 -10.347 2.248 1.203 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.273 0.191 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.832 0.528 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.394 -0.430 2.868 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.430 2.594 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.428 2.586 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.080 1.924 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.683 0.828 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.990 2.375 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.151 0.603 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.602 1.562 1.492 1.00 0.00 H new ATOM 441 N GLN A 34 -9.863 -1.765 0.629 1.00 0.00 N ATOM 442 CA GLN A 34 -10.780 -2.829 0.259 1.00 0.00 C ATOM 443 C GLN A 34 -10.965 -3.801 1.426 1.00 0.00 C ATOM 444 O GLN A 34 -10.264 -3.709 2.432 1.00 0.00 O ATOM 445 CB GLN A 34 -10.292 -3.562 -0.993 1.00 0.00 C ATOM 446 CG GLN A 34 -8.985 -4.308 -0.717 1.00 0.00 C ATOM 447 CD GLN A 34 -8.901 -5.591 -1.546 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.593 -5.579 -2.727 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.191 -6.696 -0.864 1.00 0.00 N ATOM 0 H GLN A 34 -8.906 -2.070 0.809 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.747 -2.384 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.054 -4.267 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.143 -2.847 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.138 -3.663 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.918 -4.551 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.441 -6.635 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.163 -7.604 -1.328 1.00 0.00 H new ATOM 620 N PRO A 47 -4.857 -4.035 4.006 1.00 0.00 N ATOM 621 CA PRO A 47 -5.828 -3.298 3.215 1.00 0.00 C ATOM 622 C PRO A 47 -5.212 -2.818 1.899 1.00 0.00 C ATOM 623 O PRO A 47 -4.343 -1.948 1.896 1.00 0.00 O ATOM 624 CB PRO A 47 -6.279 -2.155 4.110 1.00 0.00 C ATOM 625 CG PRO A 47 -5.212 -2.021 5.185 1.00 0.00 C ATOM 626 CD PRO A 47 -4.345 -3.270 5.139 1.00 0.00 C ATOM 0 HA PRO A 47 -6.678 -3.911 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.379 -1.230 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.253 -2.365 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.608 -1.130 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.671 -1.911 6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.293 -3.017 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.419 -3.838 6.066 1.00 0.00 H new ATOM 634 N LEU A 48 -5.686 -3.408 0.811 1.00 0.00 N ATOM 635 CA LEU A 48 -5.193 -3.053 -0.508 1.00 0.00 C ATOM 636 C LEU A 48 -5.924 -1.802 -1.001 1.00 0.00 C ATOM 637 O LEU A 48 -7.125 -1.653 -0.781 1.00 0.00 O ATOM 638 CB LEU A 48 -5.304 -4.245 -1.461 1.00 0.00 C ATOM 639 CG LEU A 48 -4.957 -5.612 -0.868 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.850 -6.707 -1.454 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.471 -5.927 -1.048 1.00 0.00 C ATOM 0 H LEU A 48 -6.407 -4.130 0.817 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.132 -2.807 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.324 -4.285 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.650 -4.065 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.151 -5.578 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.582 -7.668 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.893 -6.484 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.712 -6.750 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.251 -6.904 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.227 -5.935 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.874 -5.166 -0.544 1.00 0.00 H new ATOM 653 N ILE A 49 -5.169 -0.935 -1.659 1.00 0.00 N ATOM 654 CA ILE A 49 -5.730 0.298 -2.185 1.00 0.00 C ATOM 655 C ILE A 49 -6.830 -0.036 -3.193 1.00 0.00 C ATOM 656 O ILE A 49 -6.543 -0.433 -4.322 1.00 0.00 O ATOM 657 CB ILE A 49 -4.624 1.190 -2.754 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.841 1.876 -1.633 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.193 2.197 -3.756 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.680 2.697 -2.198 1.00 0.00 C ATOM 0 H ILE A 49 -4.173 -1.062 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.195 0.876 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.921 0.558 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.507 2.525 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.458 1.126 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.386 2.818 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.669 1.663 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.930 2.828 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.140 3.174 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.003 2.041 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.069 3.461 -2.871 1.00 0.00 H new ATOM 672 N SER A 50 -8.067 0.136 -2.750 1.00 0.00 N ATOM 673 CA SER A 50 -9.212 -0.143 -3.600 1.00 0.00 C ATOM 674 C SER A 50 -9.243 0.836 -4.775 1.00 0.00 C ATOM 675 O SER A 50 -9.271 0.422 -5.933 1.00 0.00 O ATOM 676 CB SER A 50 -10.518 -0.063 -2.808 1.00 0.00 C ATOM 677 OG SER A 50 -11.651 0.083 -3.660 1.00 0.00 O ATOM 0 H SER A 50 -8.301 0.465 -1.813 1.00 0.00 H new ATOM 0 HA SER A 50 -9.113 -1.158 -3.984 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.632 -0.964 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.472 0.779 -2.118 1.00 0.00 H new ATOM 0 HG SER A 50 -12.465 0.129 -3.117 1.00 0.00 H new ATOM 683 N TYR A 51 -9.236 2.117 -4.436 1.00 0.00 N ATOM 684 CA TYR A 51 -9.263 3.159 -5.449 1.00 0.00 C ATOM 685 C TYR A 51 -8.389 4.346 -5.037 1.00 0.00 C ATOM 686 O TYR A 51 -8.197 4.597 -3.849 1.00 0.00 O ATOM 687 CB TYR A 51 -10.719 3.621 -5.540 1.00 0.00 C ATOM 688 CG TYR A 51 -10.953 4.740 -6.556 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.887 4.470 -7.908 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.232 6.020 -6.121 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.108 5.524 -8.865 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.453 7.073 -7.077 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.380 6.774 -8.402 1.00 0.00 C ATOM 694 OH TYR A 51 -11.589 7.769 -9.305 1.00 0.00 O ATOM 0 H TYR A 51 -9.212 2.457 -3.475 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.884 2.781 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.345 2.768 -5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.043 3.963 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.670 3.468 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.284 6.231 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.059 5.326 -9.926 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.672 8.079 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.774 8.607 -8.832 1.00 0.00 H new ATOM 704 N ILE A 52 -7.883 5.044 -6.043 1.00 0.00 N ATOM 705 CA ILE A 52 -7.035 6.199 -5.801 1.00 0.00 C ATOM 706 C ILE A 52 -7.701 7.447 -6.382 1.00 0.00 C ATOM 707 O ILE A 52 -7.762 7.614 -7.599 1.00 0.00 O ATOM 708 CB ILE A 52 -5.624 5.949 -6.338 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.939 4.814 -5.573 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.794 7.234 -6.320 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.964 4.055 -6.476 1.00 0.00 C ATOM 0 H ILE A 52 -8.044 4.832 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.919 6.369 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.706 5.633 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.404 5.220 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.691 4.127 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.796 7.028 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.276 7.987 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.718 7.604 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.491 3.254 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.506 3.630 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.200 4.740 -6.843 1.00 0.00 H new ATOM 723 N GLU A 53 -8.185 8.292 -5.484 1.00 0.00 N ATOM 724 CA GLU A 53 -8.846 9.521 -5.891 1.00 0.00 C ATOM 725 C GLU A 53 -7.983 10.276 -6.905 1.00 0.00 C ATOM 726 O GLU A 53 -6.756 10.190 -6.868 1.00 0.00 O ATOM 727 CB GLU A 53 -9.164 10.400 -4.681 1.00 0.00 C ATOM 728 CG GLU A 53 -10.587 10.958 -4.767 1.00 0.00 C ATOM 729 CD GLU A 53 -10.603 12.463 -4.493 1.00 0.00 C ATOM 730 OE1 GLU A 53 -9.633 12.936 -3.862 1.00 0.00 O ATOM 731 OE2 GLU A 53 -11.585 13.107 -4.922 1.00 0.00 O ATOM 0 H GLU A 53 -8.133 8.150 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.791 9.261 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.052 9.819 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.450 11.222 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.000 10.760 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.226 10.447 -4.047 1.00 0.00 H new ATOM 738 N ALA A 54 -8.658 10.998 -7.787 1.00 0.00 N ATOM 739 CA ALA A 54 -7.969 11.767 -8.809 1.00 0.00 C ATOM 740 C ALA A 54 -7.507 13.099 -8.214 1.00 0.00 C ATOM 741 O ALA A 54 -7.875 13.442 -7.092 1.00 0.00 O ATOM 742 CB ALA A 54 -8.891 11.956 -10.015 1.00 0.00 C ATOM 0 H ALA A 54 -9.675 11.067 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.083 11.236 -9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.374 12.533 -10.782 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.167 10.982 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.790 12.488 -9.705 1.00 0.00 H new ATOM 748 N ASP A 55 -6.707 13.813 -8.993 1.00 0.00 N ATOM 749 CA ASP A 55 -6.191 15.099 -8.557 1.00 0.00 C ATOM 750 C ASP A 55 -5.738 14.995 -7.100 1.00 0.00 C ATOM 751 O ASP A 55 -5.754 15.984 -6.369 1.00 0.00 O ATOM 752 CB ASP A 55 -7.269 16.182 -8.641 1.00 0.00 C ATOM 753 CG ASP A 55 -6.786 17.537 -9.161 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.824 17.528 -9.959 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.389 18.551 -8.748 1.00 0.00 O ATOM 0 H ASP A 55 -6.404 13.525 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.359 15.367 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.070 15.826 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.699 16.323 -7.649 1.00 0.00 H new ATOM 760 N SER A 56 -5.345 13.788 -6.721 1.00 0.00 N ATOM 761 CA SER A 56 -4.888 13.541 -5.364 1.00 0.00 C ATOM 762 C SER A 56 -3.378 13.293 -5.357 1.00 0.00 C ATOM 763 O SER A 56 -2.784 13.029 -6.401 1.00 0.00 O ATOM 764 CB SER A 56 -5.624 12.353 -4.742 1.00 0.00 C ATOM 765 OG SER A 56 -4.942 11.123 -4.972 1.00 0.00 O ATOM 0 H SER A 56 -5.334 12.970 -7.330 1.00 0.00 H new ATOM 0 HA SER A 56 -5.107 14.424 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.730 12.514 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.630 12.293 -5.156 1.00 0.00 H new ATOM 0 HG SER A 56 -5.420 10.606 -5.654 1.00 0.00 H new ATOM 771 N PRO A 57 -2.785 13.389 -4.137 1.00 0.00 N ATOM 772 CA PRO A 57 -1.356 13.178 -3.980 1.00 0.00 C ATOM 773 C PRO A 57 -1.009 11.691 -4.070 1.00 0.00 C ATOM 774 O PRO A 57 0.148 11.332 -4.286 1.00 0.00 O ATOM 775 CB PRO A 57 -1.014 13.788 -2.630 1.00 0.00 C ATOM 776 CG PRO A 57 -2.330 13.901 -1.878 1.00 0.00 C ATOM 777 CD PRO A 57 -3.457 13.701 -2.878 1.00 0.00 C ATOM 0 HA PRO A 57 -0.772 13.646 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.306 13.162 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.548 14.766 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.384 13.152 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.413 14.877 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.119 12.891 -2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.070 14.598 -2.968 1.00 0.00 H new ATOM 785 N ALA A 58 -2.031 10.866 -3.900 1.00 0.00 N ATOM 786 CA ALA A 58 -1.849 9.425 -3.959 1.00 0.00 C ATOM 787 C ALA A 58 -1.659 8.999 -5.416 1.00 0.00 C ATOM 788 O ALA A 58 -0.897 8.077 -5.702 1.00 0.00 O ATOM 789 CB ALA A 58 -3.042 8.732 -3.299 1.00 0.00 C ATOM 0 H ALA A 58 -2.989 11.168 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.956 9.128 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.905 7.652 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.115 9.046 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.957 9.004 -3.825 1.00 0.00 H new ATOM 795 N GLU A 59 -2.364 9.691 -6.298 1.00 0.00 N ATOM 796 CA GLU A 59 -2.283 9.396 -7.719 1.00 0.00 C ATOM 797 C GLU A 59 -1.072 10.097 -8.338 1.00 0.00 C ATOM 798 O GLU A 59 -0.581 9.683 -9.387 1.00 0.00 O ATOM 799 CB GLU A 59 -3.574 9.794 -8.437 1.00 0.00 C ATOM 800 CG GLU A 59 -3.576 9.290 -9.881 1.00 0.00 C ATOM 801 CD GLU A 59 -3.841 7.785 -9.936 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.958 7.035 -9.466 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.922 7.417 -10.447 1.00 0.00 O ATOM 0 H GLU A 59 -2.994 10.456 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.157 8.320 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.432 9.384 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.681 10.879 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.339 9.818 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.616 9.511 -10.348 1.00 0.00 H new ATOM 810 N ARG A 60 -0.626 11.145 -7.662 1.00 0.00 N ATOM 811 CA ARG A 60 0.518 11.908 -8.133 1.00 0.00 C ATOM 812 C ARG A 60 1.796 11.074 -8.016 1.00 0.00 C ATOM 813 O ARG A 60 2.585 11.006 -8.956 1.00 0.00 O ATOM 814 CB ARG A 60 0.685 13.201 -7.333 1.00 0.00 C ATOM 815 CG ARG A 60 -0.078 14.354 -7.988 1.00 0.00 C ATOM 816 CD ARG A 60 0.470 15.706 -7.527 1.00 0.00 C ATOM 817 NE ARG A 60 -0.341 16.225 -6.403 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.081 17.368 -5.754 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.969 18.118 -6.114 1.00 0.00 N ATOM 820 NH2 ARG A 60 -0.871 17.761 -4.746 1.00 0.00 N ATOM 0 H ARG A 60 -1.036 11.484 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 60 0.340 12.162 -9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.323 13.053 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.743 13.454 -7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.000 14.277 -9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.137 14.282 -7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.510 15.600 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.455 16.415 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.148 15.678 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.570 17.819 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.167 18.988 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.671 17.190 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.673 18.631 -4.252 1.00 0.00 H new ATOM 834 N CYS A 61 1.960 10.461 -6.853 1.00 0.00 N ATOM 835 CA CYS A 61 3.128 9.635 -6.600 1.00 0.00 C ATOM 836 C CYS A 61 3.190 8.549 -7.676 1.00 0.00 C ATOM 837 O CYS A 61 4.263 8.246 -8.196 1.00 0.00 O ATOM 838 CB CYS A 61 3.107 9.041 -5.190 1.00 0.00 C ATOM 839 SG CYS A 61 4.772 9.151 -4.439 1.00 0.00 S ATOM 0 H CYS A 61 1.303 10.520 -6.075 1.00 0.00 H new ATOM 0 HA CYS A 61 4.028 10.248 -6.651 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.385 9.575 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.785 8.000 -5.230 1.00 0.00 H new ATOM 0 HG CYS A 61 4.662 9.479 -3.186 1.00 0.00 H new ATOM 845 N GLY A 62 2.026 7.994 -7.979 1.00 0.00 N ATOM 846 CA GLY A 62 1.935 6.948 -8.984 1.00 0.00 C ATOM 847 C GLY A 62 2.301 5.585 -8.392 1.00 0.00 C ATOM 848 O GLY A 62 1.568 4.613 -8.564 1.00 0.00 O ATOM 0 H GLY A 62 1.138 8.249 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.923 6.913 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.602 7.178 -9.815 1.00 0.00 H new ATOM 852 N VAL A 63 3.435 5.559 -7.707 1.00 0.00 N ATOM 853 CA VAL A 63 3.907 4.332 -7.089 1.00 0.00 C ATOM 854 C VAL A 63 2.722 3.590 -6.467 1.00 0.00 C ATOM 855 O VAL A 63 2.711 2.361 -6.419 1.00 0.00 O ATOM 856 CB VAL A 63 5.012 4.646 -6.078 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.154 5.422 -6.738 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.453 5.409 -4.875 1.00 0.00 C ATOM 0 H VAL A 63 4.040 6.368 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 63 4.347 3.673 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 63 5.415 3.700 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.926 5.633 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.579 4.827 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.772 6.360 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.259 5.620 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.011 6.347 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.691 4.805 -4.383 1.00 0.00 H new ATOM 868 N LEU A 64 1.753 4.368 -6.008 1.00 0.00 N ATOM 869 CA LEU A 64 0.566 3.800 -5.391 1.00 0.00 C ATOM 870 C LEU A 64 -0.323 3.187 -6.476 1.00 0.00 C ATOM 871 O LEU A 64 -0.985 3.907 -7.221 1.00 0.00 O ATOM 872 CB LEU A 64 -0.145 4.848 -4.533 1.00 0.00 C ATOM 873 CG LEU A 64 0.727 5.586 -3.515 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.040 6.863 -3.028 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.114 4.665 -2.356 1.00 0.00 C ATOM 0 H LEU A 64 1.765 5.387 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 64 0.839 2.995 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.597 5.585 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.959 4.359 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 64 1.650 5.887 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.681 7.368 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.143 7.524 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.909 6.608 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.734 5.214 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.213 4.313 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.672 3.811 -2.740 1.00 0.00 H new ATOM 887 N GLN A 65 -0.309 1.863 -6.529 1.00 0.00 N ATOM 888 CA GLN A 65 -1.105 1.145 -7.509 1.00 0.00 C ATOM 889 C GLN A 65 -2.318 0.499 -6.837 1.00 0.00 C ATOM 890 O GLN A 65 -2.233 0.049 -5.695 1.00 0.00 O ATOM 891 CB GLN A 65 -0.262 0.099 -8.241 1.00 0.00 C ATOM 892 CG GLN A 65 0.899 0.757 -8.991 1.00 0.00 C ATOM 893 CD GLN A 65 1.255 -0.033 -10.251 1.00 0.00 C ATOM 894 OE1 GLN A 65 0.402 -0.443 -11.021 1.00 0.00 O ATOM 895 NE2 GLN A 65 2.561 -0.224 -10.419 1.00 0.00 N ATOM 0 H GLN A 65 0.241 1.269 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.462 1.859 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.127 -0.626 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.888 -0.451 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.630 1.778 -9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.770 0.819 -8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.222 0.146 -9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.901 -0.740 -11.230 1.00 0.00 H new ATOM 904 N ILE A 66 -3.419 0.472 -7.574 1.00 0.00 N ATOM 905 CA ILE A 66 -4.647 -0.112 -7.064 1.00 0.00 C ATOM 906 C ILE A 66 -4.396 -1.575 -6.693 1.00 0.00 C ATOM 907 O ILE A 66 -3.932 -2.358 -7.520 1.00 0.00 O ATOM 908 CB ILE A 66 -5.788 0.082 -8.065 1.00 0.00 C ATOM 909 CG1 ILE A 66 -6.026 1.567 -8.346 1.00 0.00 C ATOM 910 CG2 ILE A 66 -7.061 -0.622 -7.588 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.671 2.256 -7.141 1.00 0.00 C ATOM 0 H ILE A 66 -3.486 0.846 -8.521 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.962 0.398 -6.154 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.497 -0.381 -9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.079 2.052 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.669 1.677 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.857 -0.469 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.868 -1.689 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.366 -0.210 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.830 3.311 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.629 1.784 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.015 2.165 -6.275 1.00 0.00 H new ATOM 923 N GLY A 67 -4.713 -1.899 -5.448 1.00 0.00 N ATOM 924 CA GLY A 67 -4.528 -3.254 -4.957 1.00 0.00 C ATOM 925 C GLY A 67 -3.121 -3.442 -4.385 1.00 0.00 C ATOM 926 O GLY A 67 -2.567 -4.539 -4.438 1.00 0.00 O ATOM 0 H GLY A 67 -5.097 -1.246 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.269 -3.470 -4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.693 -3.964 -5.767 1.00 0.00 H new ATOM 930 N ASP A 68 -2.584 -2.355 -3.852 1.00 0.00 N ATOM 931 CA ASP A 68 -1.252 -2.386 -3.271 1.00 0.00 C ATOM 932 C ASP A 68 -1.295 -3.157 -1.950 1.00 0.00 C ATOM 933 O ASP A 68 -2.358 -3.604 -1.522 1.00 0.00 O ATOM 934 CB ASP A 68 -0.746 -0.973 -2.977 1.00 0.00 C ATOM 935 CG ASP A 68 -1.447 -0.263 -1.816 1.00 0.00 C ATOM 936 OD1 ASP A 68 -2.434 -0.841 -1.311 1.00 0.00 O ATOM 937 OD2 ASP A 68 -0.979 0.840 -1.460 1.00 0.00 O ATOM 0 H ASP A 68 -3.047 -1.447 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.584 -2.867 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.321 -1.023 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.861 -0.368 -3.876 1.00 0.00 H new ATOM 942 N ARG A 69 -0.126 -3.290 -1.341 1.00 0.00 N ATOM 943 CA ARG A 69 -0.016 -3.999 -0.078 1.00 0.00 C ATOM 944 C ARG A 69 0.599 -3.092 0.989 1.00 0.00 C ATOM 945 O ARG A 69 1.768 -3.243 1.339 1.00 0.00 O ATOM 946 CB ARG A 69 0.843 -5.257 -0.225 1.00 0.00 C ATOM 947 CG ARG A 69 1.954 -5.044 -1.255 1.00 0.00 C ATOM 948 CD ARG A 69 1.426 -5.233 -2.678 1.00 0.00 C ATOM 949 NE ARG A 69 2.495 -5.775 -3.547 1.00 0.00 N ATOM 950 CZ ARG A 69 3.407 -5.021 -4.176 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.384 -3.689 -4.038 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.340 -5.600 -4.944 1.00 0.00 N ATOM 0 H ARG A 69 0.754 -2.918 -1.699 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.021 -4.292 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.281 -5.518 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.217 -6.096 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.368 -4.041 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.767 -5.746 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.573 -5.911 -2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.073 -4.281 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 69 2.540 -6.786 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.673 -3.249 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.078 -3.115 -4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.356 -6.614 -5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.034 -5.026 -5.423 1.00 0.00 H new ATOM 966 N VAL A 70 -0.217 -2.169 1.477 1.00 0.00 N ATOM 967 CA VAL A 70 0.233 -1.237 2.497 1.00 0.00 C ATOM 968 C VAL A 70 0.367 -1.973 3.832 1.00 0.00 C ATOM 969 O VAL A 70 -0.623 -2.450 4.384 1.00 0.00 O ATOM 970 CB VAL A 70 -0.718 -0.040 2.568 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.174 -0.502 2.671 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.352 0.883 3.733 1.00 0.00 C ATOM 0 H VAL A 70 -1.187 -2.047 1.185 1.00 0.00 H new ATOM 0 HA VAL A 70 1.216 -0.840 2.244 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.611 0.528 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.829 0.368 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.429 -1.099 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.302 -1.104 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.043 1.725 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.417 0.330 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.665 1.252 3.599 1.00 0.00 H new ATOM 982 N MET A 71 1.600 -2.043 4.311 1.00 0.00 N ATOM 983 CA MET A 71 1.877 -2.714 5.570 1.00 0.00 C ATOM 984 C MET A 71 1.649 -1.773 6.754 1.00 0.00 C ATOM 985 O MET A 71 1.452 -2.224 7.881 1.00 0.00 O ATOM 986 CB MET A 71 3.326 -3.205 5.579 1.00 0.00 C ATOM 987 CG MET A 71 3.774 -3.618 4.175 1.00 0.00 C ATOM 988 SD MET A 71 5.050 -4.861 4.282 1.00 0.00 S ATOM 989 CE MET A 71 4.172 -6.131 5.177 1.00 0.00 C ATOM 0 H MET A 71 2.419 -1.646 3.850 1.00 0.00 H new ATOM 0 HA MET A 71 1.197 -3.560 5.667 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.978 -2.417 5.956 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.423 -4.051 6.259 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.924 -4.005 3.612 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.146 -2.749 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.454 -7.110 4.790 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.426 -6.072 6.235 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.099 -5.988 5.053 1.00 0.00 H new ATOM 999 N ALA A 72 1.684 -0.482 6.458 1.00 0.00 N ATOM 1000 CA ALA A 72 1.484 0.527 7.484 1.00 0.00 C ATOM 1001 C ALA A 72 0.935 1.802 6.840 1.00 0.00 C ATOM 1002 O ALA A 72 1.162 2.051 5.657 1.00 0.00 O ATOM 1003 CB ALA A 72 2.800 0.769 8.226 1.00 0.00 C ATOM 0 H ALA A 72 1.848 -0.112 5.522 1.00 0.00 H new ATOM 0 HA ALA A 72 0.753 0.188 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.650 1.526 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.132 -0.160 8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.557 1.113 7.521 1.00 0.00 H new ATOM 1009 N ILE A 73 0.225 2.576 7.647 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.357 3.819 7.171 1.00 0.00 C ATOM 1011 C ILE A 73 0.204 4.986 7.985 1.00 0.00 C ATOM 1012 O ILE A 73 -0.111 6.144 7.717 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.885 3.736 7.188 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.405 2.942 5.988 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.509 5.131 7.266 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.913 2.710 6.095 1.00 0.00 C ATOM 0 H ILE A 73 0.039 2.366 8.628 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.081 3.994 6.131 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.187 3.197 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.181 3.480 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.889 1.983 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.595 5.044 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.176 5.628 8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.201 5.716 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.256 2.143 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.131 2.151 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.427 3.670 6.127 1.00 0.00 H new ATOM 1028 N ASN A 74 1.027 4.640 8.964 1.00 0.00 N ATOM 1029 CA ASN A 74 1.636 5.645 9.820 1.00 0.00 C ATOM 1030 C ASN A 74 2.326 4.954 10.998 1.00 0.00 C ATOM 1031 O ASN A 74 2.232 5.416 12.134 1.00 0.00 O ATOM 1032 CB ASN A 74 0.583 6.600 10.383 1.00 0.00 C ATOM 1033 CG ASN A 74 -0.589 5.828 10.993 1.00 0.00 C ATOM 1034 OD1 ASN A 74 -0.419 4.843 11.692 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -1.783 6.328 10.689 1.00 0.00 N ATOM 0 H ASN A 74 1.287 3.678 9.184 1.00 0.00 H new ATOM 0 HA ASN A 74 2.351 6.209 9.222 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.035 7.240 11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.219 7.254 9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.628 5.883 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.854 7.156 10.098 1.00 0.00 H new ATOM 1042 N GLY A 75 3.004 3.859 10.687 1.00 0.00 N ATOM 1043 CA GLY A 75 3.710 3.101 11.705 1.00 0.00 C ATOM 1044 C GLY A 75 2.829 1.980 12.263 1.00 0.00 C ATOM 1045 O GLY A 75 3.324 0.904 12.595 1.00 0.00 O ATOM 0 H GLY A 75 3.079 3.479 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.620 2.677 11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.014 3.766 12.513 1.00 0.00 H new ATOM 1049 N ILE A 76 1.540 2.271 12.348 1.00 0.00 N ATOM 1050 CA ILE A 76 0.586 1.302 12.859 1.00 0.00 C ATOM 1051 C ILE A 76 0.555 0.085 11.932 1.00 0.00 C ATOM 1052 O ILE A 76 0.596 0.229 10.711 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.783 1.953 13.063 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.715 3.052 14.127 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.847 0.904 13.392 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -0.710 2.452 15.534 1.00 0.00 C ATOM 0 H ILE A 76 1.133 3.165 12.071 1.00 0.00 H new ATOM 0 HA ILE A 76 0.894 0.947 13.842 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.077 2.427 12.127 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.184 3.651 13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.567 3.723 14.017 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.810 1.394 13.532 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.919 0.190 12.572 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.570 0.380 14.307 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.661 3.253 16.271 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.621 1.874 15.686 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.156 1.800 15.649 1.00 0.00 H new ATOM 1068 N PRO A 77 0.482 -1.117 12.564 1.00 0.00 N ATOM 1069 CA PRO A 77 0.446 -2.358 11.809 1.00 0.00 C ATOM 1070 C PRO A 77 -0.928 -2.571 11.170 1.00 0.00 C ATOM 1071 O PRO A 77 -1.831 -3.121 11.799 1.00 0.00 O ATOM 1072 CB PRO A 77 0.808 -3.440 12.813 1.00 0.00 C ATOM 1073 CG PRO A 77 0.579 -2.828 14.186 1.00 0.00 C ATOM 1074 CD PRO A 77 0.432 -1.326 14.008 1.00 0.00 C ATOM 0 HA PRO A 77 1.143 -2.361 10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.189 -4.326 12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.845 -3.753 12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.316 -3.247 14.646 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.414 -3.054 14.849 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.508 -0.968 14.428 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.233 -0.787 14.514 1.00 0.00 H new ATOM 1082 N THR A 78 -1.043 -2.124 9.928 1.00 0.00 N ATOM 1083 CA THR A 78 -2.291 -2.259 9.196 1.00 0.00 C ATOM 1084 C THR A 78 -2.573 -3.731 8.889 1.00 0.00 C ATOM 1085 O THR A 78 -2.448 -4.165 7.745 1.00 0.00 O ATOM 1086 CB THR A 78 -2.203 -1.383 7.945 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.855 -1.535 7.509 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.326 0.108 8.264 1.00 0.00 C ATOM 0 H THR A 78 -0.292 -1.668 9.410 1.00 0.00 H new ATOM 0 HA THR A 78 -3.137 -1.916 9.791 1.00 0.00 H new ATOM 0 HB THR A 78 -2.988 -1.670 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.492 -2.377 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.257 0.684 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.287 0.300 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.522 0.404 8.937 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.948 -4.459 9.931 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.249 -5.873 9.787 1.00 0.00 C ATOM 1098 C GLU A 79 -3.686 -6.462 11.129 1.00 0.00 C ATOM 1099 O GLU A 79 -3.036 -7.364 11.656 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.049 -6.633 9.219 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.437 -7.409 7.958 1.00 0.00 C ATOM 1102 CD GLU A 79 -1.407 -8.496 7.644 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -0.314 -8.121 7.169 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -1.737 -9.677 7.885 1.00 0.00 O ATOM 0 H GLU A 79 -3.050 -4.096 10.879 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.072 -5.980 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.247 -5.932 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.662 -7.322 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.419 -7.862 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.516 -6.723 7.114 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.784 -5.929 11.644 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.315 -6.391 12.915 1.00 0.00 C ATOM 1113 C ASP A 80 -6.607 -5.633 13.229 1.00 0.00 C ATOM 1114 O ASP A 80 -7.568 -6.217 13.727 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.326 -6.130 14.053 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.642 -6.855 15.363 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -4.986 -8.054 15.279 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.531 -6.195 16.418 1.00 0.00 O ATOM 0 H ASP A 80 -5.321 -5.181 11.204 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.498 -7.463 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.330 -6.425 13.723 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.293 -5.058 14.247 1.00 0.00 H new ATOM 1123 N SER A 81 -6.588 -4.344 12.923 1.00 0.00 N ATOM 1124 CA SER A 81 -7.746 -3.500 13.165 1.00 0.00 C ATOM 1125 C SER A 81 -8.791 -3.717 12.069 1.00 0.00 C ATOM 1126 O SER A 81 -8.671 -4.642 11.267 1.00 0.00 O ATOM 1127 CB SER A 81 -7.348 -2.025 13.235 1.00 0.00 C ATOM 1128 OG SER A 81 -6.131 -1.834 13.952 1.00 0.00 O ATOM 0 H SER A 81 -5.789 -3.863 12.510 1.00 0.00 H new ATOM 0 HA SER A 81 -8.176 -3.778 14.127 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.239 -1.630 12.225 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.145 -1.457 13.715 1.00 0.00 H new ATOM 0 HG SER A 81 -6.221 -1.063 14.550 1.00 0.00 H new ATOM 1134 N THR A 82 -9.791 -2.848 12.069 1.00 0.00 N ATOM 1135 CA THR A 82 -10.856 -2.933 11.083 1.00 0.00 C ATOM 1136 C THR A 82 -10.719 -1.811 10.052 1.00 0.00 C ATOM 1137 O THR A 82 -10.169 -0.752 10.352 1.00 0.00 O ATOM 1138 CB THR A 82 -12.192 -2.914 11.828 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.393 -1.539 12.145 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.112 -3.603 13.192 1.00 0.00 C ATOM 0 H THR A 82 -9.887 -2.082 12.736 1.00 0.00 H new ATOM 0 HA THR A 82 -10.797 -3.862 10.516 1.00 0.00 H new ATOM 0 HB THR A 82 -12.954 -3.401 11.219 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.239 -1.435 12.629 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.087 -3.561 13.678 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.818 -4.644 13.057 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.374 -3.095 13.813 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.228 -2.081 8.860 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.169 -1.107 7.783 1.00 0.00 C ATOM 1150 C PHE A 83 -11.400 0.310 8.312 1.00 0.00 C ATOM 1151 O PHE A 83 -10.806 1.266 7.815 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.287 -1.460 6.799 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.599 -0.354 5.789 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.244 0.773 6.192 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.231 -0.499 4.488 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.533 1.799 5.254 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.520 0.527 3.550 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.165 1.655 3.953 1.00 0.00 C ATOM 0 H PHE A 83 -11.683 -2.960 8.615 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.187 -1.134 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.009 -2.364 6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.192 -1.691 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.536 0.888 7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.719 -1.395 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.045 2.694 5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.228 0.412 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.385 2.436 3.240 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.264 0.400 9.312 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.580 1.684 9.914 1.00 0.00 C ATOM 1170 C GLU A 84 -11.320 2.317 10.508 1.00 0.00 C ATOM 1171 O GLU A 84 -11.020 3.481 10.241 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.672 1.539 10.976 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.063 1.680 10.354 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.897 2.718 11.107 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.300 3.738 11.514 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -17.112 2.469 11.258 1.00 0.00 O ATOM 0 H GLU A 84 -12.755 -0.395 9.721 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.962 2.343 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.584 0.568 11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.536 2.296 11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.970 1.972 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.573 0.717 10.371 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.615 1.524 11.301 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.394 1.992 11.934 1.00 0.00 C ATOM 1185 C GLU A 85 -8.492 2.679 10.906 1.00 0.00 C ATOM 1186 O GLU A 85 -8.180 3.861 11.041 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.659 0.842 12.625 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.626 1.045 14.141 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.211 1.377 14.620 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.628 2.325 14.051 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.744 0.675 15.543 1.00 0.00 O ATOM 0 H GLU A 85 -10.866 0.560 11.520 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.662 2.721 12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.152 -0.102 12.391 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.641 0.774 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.306 1.851 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.980 0.143 14.640 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.099 1.909 9.902 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.240 2.429 8.852 1.00 0.00 C ATOM 1200 C ALA A 86 -7.877 3.683 8.252 1.00 0.00 C ATOM 1201 O ALA A 86 -7.250 4.740 8.203 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.997 1.340 7.805 1.00 0.00 C ATOM 0 H ALA A 86 -8.360 0.929 9.793 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.269 2.714 9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.353 1.730 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.516 0.483 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.949 1.030 7.375 1.00 0.00 H new ATOM 1208 N ASN A 87 -9.116 3.525 7.809 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.846 4.632 7.214 1.00 0.00 C ATOM 1210 C ASN A 87 -9.725 5.861 8.117 1.00 0.00 C ATOM 1211 O ASN A 87 -9.588 6.982 7.630 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.331 4.297 7.068 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.913 4.928 5.801 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.897 4.126 4.741 1.00 0.00 O flip ATOM 1215 ND2 ASN A 87 -12.348 6.068 5.788 1.00 0.00 N flip ATOM 0 H ASN A 87 -9.633 2.647 7.850 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.421 4.825 6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.462 3.215 7.033 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.876 4.656 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.330 6.630 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.730 6.458 4.926 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.779 5.609 9.417 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.677 6.681 10.392 1.00 0.00 C ATOM 1224 C GLN A 88 -8.293 7.329 10.325 1.00 0.00 C ATOM 1225 O GLN A 88 -8.174 8.553 10.366 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.976 6.169 11.802 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.827 7.174 12.582 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.122 7.492 11.832 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.500 8.639 11.653 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.780 6.417 11.407 1.00 0.00 N ATOM 0 H GLN A 88 -9.892 4.678 9.817 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.423 7.438 10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.498 5.214 11.743 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.041 5.989 12.333 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.062 6.770 13.567 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.260 8.091 12.741 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.408 5.485 11.591 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.657 6.524 10.897 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.281 6.480 10.224 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.910 6.955 10.151 1.00 0.00 C ATOM 1241 C LEU A 89 -5.839 8.152 9.202 1.00 0.00 C ATOM 1242 O LEU A 89 -5.198 9.156 9.509 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.967 5.812 9.771 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.925 4.627 10.738 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.820 3.642 10.350 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -4.784 5.105 12.185 1.00 0.00 C ATOM 0 H LEU A 89 -7.383 5.466 10.191 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.575 7.303 11.128 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.255 5.442 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.959 6.215 9.678 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.873 4.093 10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.812 2.809 11.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.005 3.266 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.855 4.149 10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.757 4.243 12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.861 5.676 12.291 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.633 5.737 12.444 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.508 8.007 8.067 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.529 9.064 7.070 1.00 0.00 C ATOM 1260 C LEU A 90 -7.345 10.244 7.601 1.00 0.00 C ATOM 1261 O LEU A 90 -6.974 11.400 7.404 1.00 0.00 O ATOM 1262 CB LEU A 90 -7.028 8.526 5.728 1.00 0.00 C ATOM 1263 CG LEU A 90 -6.052 7.633 4.959 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.525 7.416 3.520 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.631 8.198 5.016 1.00 0.00 C ATOM 0 H LEU A 90 -7.039 7.173 7.816 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.520 9.431 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.944 7.962 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.291 9.373 5.094 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.030 6.656 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.814 6.778 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.505 6.938 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.594 8.377 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.957 7.545 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.617 9.194 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.305 8.259 6.054 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.443 9.912 8.265 1.00 0.00 N ATOM 1278 CA ARG A 91 -9.315 10.929 8.827 1.00 0.00 C ATOM 1279 C ARG A 91 -8.562 11.758 9.868 1.00 0.00 C ATOM 1280 O ARG A 91 -8.819 12.952 10.021 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.547 10.299 9.480 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.592 9.921 8.429 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.991 10.367 8.861 1.00 0.00 C ATOM 1284 NE ARG A 91 -13.367 11.611 8.152 1.00 0.00 N ATOM 1285 CZ ARG A 91 -14.501 12.289 8.375 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -15.376 11.848 9.289 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -14.759 13.408 7.685 1.00 0.00 N ATOM 0 H ARG A 91 -8.748 8.952 8.426 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.641 11.574 8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.252 9.412 10.040 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.981 10.998 10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.337 10.383 7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.582 8.842 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.715 9.582 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.013 10.532 9.938 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.723 11.975 7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.179 10.996 9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.239 12.364 9.459 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.092 13.744 6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.622 13.924 7.855 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.647 11.094 10.558 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.854 11.755 11.581 1.00 0.00 C ATOM 1303 C ASP A 92 -5.622 12.391 10.934 1.00 0.00 C ATOM 1304 O ASP A 92 -5.293 13.542 11.215 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.372 10.756 12.635 1.00 0.00 C ATOM 1306 CG ASP A 92 -5.566 11.367 13.783 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -6.209 11.772 14.776 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -4.325 11.414 13.643 1.00 0.00 O ATOM 0 H ASP A 92 -7.437 10.104 10.429 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.480 12.509 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.239 10.244 13.052 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.760 9.999 12.144 1.00 0.00 H new ATOM 1313 N SER A 93 -4.974 11.613 10.080 1.00 0.00 N ATOM 1314 CA SER A 93 -3.785 12.085 9.390 1.00 0.00 C ATOM 1315 C SER A 93 -4.007 13.511 8.883 1.00 0.00 C ATOM 1316 O SER A 93 -3.092 14.332 8.908 1.00 0.00 O ATOM 1317 CB SER A 93 -3.417 11.160 8.229 1.00 0.00 C ATOM 1318 OG SER A 93 -3.023 9.867 8.681 1.00 0.00 O ATOM 0 H SER A 93 -5.250 10.658 9.850 1.00 0.00 H new ATOM 0 HA SER A 93 -2.955 12.082 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.270 11.065 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.606 11.606 7.653 1.00 0.00 H new ATOM 0 HG SER A 93 -3.658 9.549 9.356 1.00 0.00 H new ATOM 1324 N SER A 94 -5.228 13.762 8.434 1.00 0.00 N ATOM 1325 CA SER A 94 -5.582 15.075 7.921 1.00 0.00 C ATOM 1326 C SER A 94 -5.041 16.163 8.850 1.00 0.00 C ATOM 1327 O SER A 94 -4.721 17.264 8.403 1.00 0.00 O ATOM 1328 CB SER A 94 -7.097 15.215 7.765 1.00 0.00 C ATOM 1329 OG SER A 94 -7.735 15.528 9.000 1.00 0.00 O ATOM 0 H SER A 94 -5.985 13.078 8.415 1.00 0.00 H new ATOM 0 HA SER A 94 -5.130 15.190 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.316 15.995 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.508 14.286 7.370 1.00 0.00 H new ATOM 0 HG SER A 94 -8.102 14.710 9.395 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.955 15.818 10.127 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.459 16.752 11.123 1.00 0.00 C ATOM 1337 C ILE A 95 -3.032 17.167 10.760 1.00 0.00 C ATOM 1338 O ILE A 95 -2.788 18.320 10.409 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.588 16.156 12.526 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -6.032 16.235 13.025 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.609 16.822 13.496 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -6.259 15.282 14.201 1.00 0.00 C ATOM 0 H ILE A 95 -5.221 14.904 10.494 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.063 17.659 11.130 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.323 15.100 12.474 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.259 17.256 13.331 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.715 15.986 12.213 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.721 16.380 14.486 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.589 16.670 13.144 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.820 17.890 13.549 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.293 15.358 14.536 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.054 14.259 13.885 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.591 15.549 15.020 1.00 0.00 H new ATOM 1354 N THR A 96 -2.127 16.204 10.857 1.00 0.00 N ATOM 1355 CA THR A 96 -0.730 16.456 10.543 1.00 0.00 C ATOM 1356 C THR A 96 -0.545 16.620 9.033 1.00 0.00 C ATOM 1357 O THR A 96 0.550 16.937 8.569 1.00 0.00 O ATOM 1358 CB THR A 96 0.100 15.316 11.136 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.449 15.703 10.886 1.00 0.00 O ATOM 1360 CG2 THR A 96 -0.062 14.007 10.361 1.00 0.00 C ATOM 0 H THR A 96 -2.333 15.249 11.148 1.00 0.00 H new ATOM 0 HA THR A 96 -0.387 17.392 10.985 1.00 0.00 H new ATOM 0 HB THR A 96 -0.189 15.160 12.175 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.496 16.198 10.041 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.548 13.232 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.108 13.702 10.376 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.258 14.153 9.329 1.00 0.00 H new ATOM 1368 N SER A 97 -1.631 16.398 8.308 1.00 0.00 N ATOM 1369 CA SER A 97 -1.601 16.518 6.860 1.00 0.00 C ATOM 1370 C SER A 97 -0.421 15.726 6.293 1.00 0.00 C ATOM 1371 O SER A 97 0.167 16.117 5.286 1.00 0.00 O ATOM 1372 CB SER A 97 -1.512 17.983 6.430 1.00 0.00 C ATOM 1373 OG SER A 97 -2.799 18.549 6.192 1.00 0.00 O ATOM 0 H SER A 97 -2.537 16.136 8.696 1.00 0.00 H new ATOM 0 HA SER A 97 -2.530 16.107 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.001 18.557 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.909 18.059 5.525 1.00 0.00 H new ATOM 0 HG SER A 97 -3.439 18.191 6.842 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.110 14.627 6.965 1.00 0.00 N ATOM 1380 CA LYS A 98 0.990 13.777 6.541 1.00 0.00 C ATOM 1381 C LYS A 98 0.708 12.335 6.967 1.00 0.00 C ATOM 1382 O LYS A 98 0.324 12.085 8.109 1.00 0.00 O ATOM 1383 CB LYS A 98 2.321 14.323 7.062 1.00 0.00 C ATOM 1384 CG LYS A 98 3.459 14.018 6.085 1.00 0.00 C ATOM 1385 CD LYS A 98 4.622 14.993 6.276 1.00 0.00 C ATOM 1386 CE LYS A 98 4.957 15.709 4.965 1.00 0.00 C ATOM 1387 NZ LYS A 98 4.601 17.143 5.052 1.00 0.00 N ATOM 0 H LYS A 98 -0.600 14.306 7.800 1.00 0.00 H new ATOM 0 HA LYS A 98 1.075 13.778 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.243 15.400 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.543 13.883 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.808 12.996 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.091 14.082 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.365 15.727 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.499 14.454 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.020 15.605 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.416 15.243 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.835 17.614 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.582 17.237 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.136 17.587 5.825 1.00 0.00 H new ATOM 1401 N VAL A 99 0.909 11.424 6.027 1.00 0.00 N ATOM 1402 CA VAL A 99 0.681 10.013 6.291 1.00 0.00 C ATOM 1403 C VAL A 99 1.854 9.200 5.740 1.00 0.00 C ATOM 1404 O VAL A 99 2.487 9.599 4.764 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.669 9.584 5.711 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.701 9.781 4.194 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -0.989 8.135 6.083 1.00 0.00 C ATOM 0 H VAL A 99 1.227 11.635 5.081 1.00 0.00 H new ATOM 0 HA VAL A 99 0.632 9.828 7.364 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.439 10.220 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.671 9.469 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.539 10.833 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.084 9.182 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.953 7.855 5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.214 7.478 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.028 8.038 7.168 1.00 0.00 H new ATOM 1417 N THR A 100 2.108 8.073 6.390 1.00 0.00 N ATOM 1418 CA THR A 100 3.194 7.200 5.978 1.00 0.00 C ATOM 1419 C THR A 100 2.646 5.845 5.525 1.00 0.00 C ATOM 1420 O THR A 100 2.222 5.037 6.349 1.00 0.00 O ATOM 1421 CB THR A 100 4.185 7.098 7.139 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.323 8.440 7.597 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.592 6.715 6.676 1.00 0.00 C ATOM 0 H THR A 100 1.580 7.745 7.199 1.00 0.00 H new ATOM 0 HA THR A 100 3.723 7.606 5.116 1.00 0.00 H new ATOM 0 HB THR A 100 3.827 6.361 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.948 8.466 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.256 6.656 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.560 5.747 6.177 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.965 7.469 5.982 1.00 0.00 H new ATOM 1431 N LEU A 101 2.673 5.640 4.217 1.00 0.00 N ATOM 1432 CA LEU A 101 2.184 4.397 3.645 1.00 0.00 C ATOM 1433 C LEU A 101 3.369 3.473 3.355 1.00 0.00 C ATOM 1434 O LEU A 101 4.214 3.785 2.518 1.00 0.00 O ATOM 1435 CB LEU A 101 1.310 4.677 2.420 1.00 0.00 C ATOM 1436 CG LEU A 101 0.155 5.658 2.632 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.589 5.357 3.934 1.00 0.00 C ATOM 1438 CD2 LEU A 101 0.648 7.106 2.574 1.00 0.00 C ATOM 0 H LEU A 101 3.026 6.313 3.537 1.00 0.00 H new ATOM 0 HA LEU A 101 1.540 3.879 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.947 5.063 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.898 3.731 2.068 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.558 5.528 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.405 6.069 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.993 4.345 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.100 5.442 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.192 7.783 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.392 7.269 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.096 7.299 1.599 1.00 0.00 H new ATOM 1450 N GLU A 102 3.393 2.354 4.065 1.00 0.00 N ATOM 1451 CA GLU A 102 4.461 1.383 3.895 1.00 0.00 C ATOM 1452 C GLU A 102 4.047 0.311 2.886 1.00 0.00 C ATOM 1453 O GLU A 102 3.227 -0.554 3.194 1.00 0.00 O ATOM 1454 CB GLU A 102 4.848 0.754 5.235 1.00 0.00 C ATOM 1455 CG GLU A 102 6.335 0.394 5.262 1.00 0.00 C ATOM 1456 CD GLU A 102 7.046 1.087 6.426 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.373 1.297 7.458 1.00 0.00 O ATOM 1458 OE2 GLU A 102 8.247 1.390 6.257 1.00 0.00 O ATOM 0 H GLU A 102 2.690 2.098 4.759 1.00 0.00 H new ATOM 0 HA GLU A 102 5.338 1.901 3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.623 1.448 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.250 -0.141 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.450 -0.686 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.801 0.686 4.321 1.00 0.00 H new ATOM 1465 N ILE A 103 4.632 0.402 1.701 1.00 0.00 N ATOM 1466 CA ILE A 103 4.334 -0.550 0.644 1.00 0.00 C ATOM 1467 C ILE A 103 5.462 -1.581 0.559 1.00 0.00 C ATOM 1468 O ILE A 103 6.578 -1.323 1.006 1.00 0.00 O ATOM 1469 CB ILE A 103 4.067 0.179 -0.674 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.986 1.248 -0.500 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.720 -0.811 -1.788 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.588 0.644 -0.652 1.00 0.00 C ATOM 0 H ILE A 103 5.311 1.120 1.449 1.00 0.00 H new ATOM 0 HA ILE A 103 3.418 -1.096 0.871 1.00 0.00 H new ATOM 0 HB ILE A 103 4.982 0.691 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.081 1.710 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.127 2.037 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.535 -0.267 -2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.551 -1.501 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.827 -1.371 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.838 1.425 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.488 0.204 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.441 -0.128 0.104 1.00 0.00 H new ATOM 1484 N GLU A 104 5.131 -2.726 -0.019 1.00 0.00 N ATOM 1485 CA GLU A 104 6.102 -3.797 -0.168 1.00 0.00 C ATOM 1486 C GLU A 104 6.042 -4.374 -1.584 1.00 0.00 C ATOM 1487 O GLU A 104 4.974 -4.759 -2.056 1.00 0.00 O ATOM 1488 CB GLU A 104 5.880 -4.889 0.879 1.00 0.00 C ATOM 1489 CG GLU A 104 6.508 -6.212 0.435 1.00 0.00 C ATOM 1490 CD GLU A 104 6.930 -7.052 1.642 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.959 -6.691 2.253 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.213 -8.035 1.927 1.00 0.00 O ATOM 0 H GLU A 104 4.204 -2.936 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 104 7.097 -3.383 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.312 -4.579 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.812 -5.027 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.795 -6.772 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.375 -6.014 -0.195 1.00 0.00 H new ATOM 1499 N PHE A 105 7.203 -4.416 -2.221 1.00 0.00 N ATOM 1500 CA PHE A 105 7.296 -4.940 -3.573 1.00 0.00 C ATOM 1501 C PHE A 105 8.395 -5.999 -3.676 1.00 0.00 C ATOM 1502 O PHE A 105 9.071 -6.296 -2.692 1.00 0.00 O ATOM 1503 CB PHE A 105 7.651 -3.764 -4.485 1.00 0.00 C ATOM 1504 CG PHE A 105 8.852 -2.946 -4.007 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.739 -2.149 -2.911 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.033 -3.016 -4.678 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.854 -1.390 -2.467 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.148 -2.257 -4.235 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.035 -1.460 -3.138 1.00 0.00 C ATOM 0 H PHE A 105 8.087 -4.096 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 105 6.352 -5.405 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.858 -4.143 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.786 -3.106 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.801 -2.093 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.123 -3.649 -5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.764 -0.757 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.085 -2.312 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.883 -0.883 -2.800 1.00 0.00 H new ATOM 1519 N ASP A 106 8.540 -6.541 -4.877 1.00 0.00 N ATOM 1520 CA ASP A 106 9.545 -7.561 -5.122 1.00 0.00 C ATOM 1521 C ASP A 106 10.799 -6.906 -5.705 1.00 0.00 C ATOM 1522 O ASP A 106 10.703 -5.963 -6.489 1.00 0.00 O ATOM 1523 CB ASP A 106 9.043 -8.600 -6.126 1.00 0.00 C ATOM 1524 CG ASP A 106 8.306 -8.024 -7.337 1.00 0.00 C ATOM 1525 OD1 ASP A 106 8.495 -6.816 -7.595 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.571 -8.806 -7.978 1.00 0.00 O ATOM 0 H ASP A 106 7.978 -6.292 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 106 9.764 -8.053 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.894 -9.182 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.377 -9.291 -5.609 1.00 0.00 H new