USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 686 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 50 SER OG : rot -106:sc= -1.86! USER MOD Set 1.2: A 83 MET CE :methyl -128:sc= -0.032 (180deg=-0.344) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -140:sc= -1.88! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.0519 (180deg=-0.188) USER MOD Single : A 22 ASN : amide:sc= -1.68 K(o=-1.7,f=-4!) USER MOD Single : A 26 THR OG1 : rot 130:sc= 0.0184 USER MOD Single : A 28 HIS : no HD1:sc= -0.0829 X(o=-0.083,f=0) USER MOD Single : A 30 THR OG1 : rot 45:sc= 0.0834 USER MOD Single : A 36 SER OG : rot 180:sc= -2.74! USER MOD Single : A 37 TYR OH : rot 172:sc= 0.654 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 0.0309 (180deg=-1.99!) USER MOD Single : A 53 SER OG : rot 50:sc= 1.48 USER MOD Single : A 55 ASN : amide:sc=-0.00638 K(o=-0.0064,f=-1.1) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -176:sc= -1.96! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.14 K(o=0.14,f=-2.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.346 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -150:sc= -0.894 (180deg=-3.65!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.52! C(o=-7.5!,f=-4.7!) USER MOD Single : A 102 ASN : amide:sc= -0.55 K(o=-0.55,f=-2.2!) USER MOD Single : A 103 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-4.2) USER MOD Single : A 104 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 170 N MET A 12 -0.971 15.942 10.506 1.00 50.00 N ATOM 171 CA MET A 12 -1.332 14.919 9.490 1.00 50.00 C ATOM 172 C MET A 12 -2.199 15.540 8.390 1.00 50.00 C ATOM 173 O MET A 12 -3.335 15.907 8.617 1.00 50.00 O ATOM 174 CB MET A 12 -2.127 13.875 10.271 1.00 50.00 C ATOM 175 CG MET A 12 -1.352 13.472 11.529 1.00 50.00 C ATOM 176 SD MET A 12 -2.466 12.619 12.673 1.00 50.00 S ATOM 177 CE MET A 12 -2.875 14.050 13.702 1.00 50.00 C ATOM 0 HA MET A 12 -0.458 14.494 8.996 1.00 50.00 H new ATOM 0 HB2 MET A 12 -3.102 14.277 10.546 1.00 50.00 H new ATOM 0 HB3 MET A 12 -2.308 13.000 9.647 1.00 50.00 H new ATOM 0 HG2 MET A 12 -0.518 12.822 11.263 1.00 50.00 H new ATOM 0 HG3 MET A 12 -0.928 14.355 12.007 1.00 50.00 H new ATOM 0 HE1 MET A 12 -3.565 13.747 14.489 1.00 50.00 H new ATOM 0 HE2 MET A 12 -1.965 14.448 14.151 1.00 50.00 H new ATOM 0 HE3 MET A 12 -3.342 14.819 13.087 1.00 50.00 H new ATOM 187 N CYS A 13 -1.677 15.655 7.199 1.00 99.99 N ATOM 188 CA CYS A 13 -2.481 16.245 6.091 1.00 99.99 C ATOM 189 C CYS A 13 -2.079 15.625 4.744 1.00 99.99 C ATOM 190 O CYS A 13 -1.013 15.871 4.221 1.00 99.99 O ATOM 191 CB CYS A 13 -2.179 17.751 6.135 1.00 99.99 C ATOM 192 SG CYS A 13 -0.604 18.118 5.314 1.00 99.99 S ATOM 0 H CYS A 13 -0.732 15.367 6.946 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.548 16.052 6.203 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -2.984 18.302 5.649 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.141 18.089 7.171 1.00 99.99 H new ATOM 197 N THR A 14 -2.932 14.817 4.179 1.00 99.99 N ATOM 198 CA THR A 14 -2.601 14.181 2.871 1.00 99.99 C ATOM 199 C THR A 14 -3.877 13.695 2.180 1.00 99.99 C ATOM 200 O THR A 14 -3.968 12.562 1.753 1.00 99.99 O ATOM 201 CB THR A 14 -1.703 12.996 3.219 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.905 13.324 4.348 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.801 12.669 2.028 1.00 99.99 C ATOM 0 H THR A 14 -3.843 14.569 4.565 1.00 99.99 H new ATOM 0 HA THR A 14 -2.113 14.877 2.189 1.00 99.99 H new ATOM 0 HB THR A 14 -2.320 12.128 3.451 1.00 99.99 H new ATOM 0 HG1 THR A 14 0.001 12.972 4.222 1.00 99.99 H new ATOM 0 HG21 THR A 14 -0.161 11.823 2.278 1.00 99.99 H new ATOM 0 HG22 THR A 14 -1.416 12.416 1.164 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.182 13.535 1.792 1.00 99.99 H new ATOM 211 N GLU A 15 -4.862 14.541 2.070 1.00 99.99 N ATOM 212 CA GLU A 15 -6.133 14.126 1.410 1.00 99.99 C ATOM 213 C GLU A 15 -5.978 14.126 -0.115 1.00 99.99 C ATOM 214 O GLU A 15 -6.934 14.326 -0.840 1.00 99.99 O ATOM 215 CB GLU A 15 -7.158 15.174 1.841 1.00 99.99 C ATOM 216 CG GLU A 15 -6.757 16.541 1.283 1.00 99.99 C ATOM 217 CD GLU A 15 -7.164 17.635 2.273 1.00 99.99 C ATOM 218 OE1 GLU A 15 -6.669 17.613 3.388 1.00 99.99 O ATOM 219 OE2 GLU A 15 -7.964 18.478 1.899 1.00 99.99 O ATOM 0 H GLU A 15 -4.843 15.503 2.409 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.429 13.116 1.693 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.149 14.899 1.480 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.215 15.216 2.929 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -5.681 16.574 1.110 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -7.240 16.709 0.320 1.00 99.99 H new ATOM 226 N LYS A 16 -4.791 13.909 -0.615 1.00 50.00 N ATOM 227 CA LYS A 16 -4.604 13.905 -2.094 1.00 50.00 C ATOM 228 C LYS A 16 -3.861 12.641 -2.548 1.00 50.00 C ATOM 229 O LYS A 16 -2.795 12.714 -3.124 1.00 50.00 O ATOM 230 CB LYS A 16 -3.765 15.150 -2.390 1.00 50.00 C ATOM 231 CG LYS A 16 -4.461 16.387 -1.815 1.00 50.00 C ATOM 232 CD LYS A 16 -5.132 17.168 -2.947 1.00 50.00 C ATOM 233 CE LYS A 16 -4.577 18.594 -2.980 1.00 50.00 C ATOM 234 NZ LYS A 16 -5.770 19.475 -2.834 1.00 50.00 N ATOM 0 H LYS A 16 -3.948 13.735 -0.067 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.557 13.913 -2.623 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.772 15.044 -1.954 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.631 15.263 -3.466 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -5.204 16.088 -1.075 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.736 17.020 -1.302 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.951 16.674 -3.901 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -6.212 17.190 -2.798 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -3.863 18.759 -2.173 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.052 18.792 -3.915 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -5.470 20.471 -2.848 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -6.428 19.301 -3.620 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -6.245 19.269 -1.932 1.00 50.00 H new ATOM 248 N PHE A 17 -4.420 11.485 -2.305 1.00 50.00 N ATOM 249 CA PHE A 17 -3.750 10.228 -2.737 1.00 50.00 C ATOM 250 C PHE A 17 -4.243 9.832 -4.131 1.00 50.00 C ATOM 251 O PHE A 17 -5.396 10.016 -4.466 1.00 50.00 O ATOM 252 CB PHE A 17 -4.174 9.187 -1.704 1.00 50.00 C ATOM 253 CG PHE A 17 -2.952 8.588 -1.052 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.803 9.364 -0.850 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.972 7.252 -0.652 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.674 8.797 -0.246 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.845 6.682 -0.048 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.695 7.455 0.155 1.00 50.00 C ATOM 0 H PHE A 17 -5.312 11.359 -1.826 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.666 10.327 -2.795 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.811 9.648 -0.949 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.763 8.405 -2.183 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.788 10.398 -1.160 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.859 6.656 -0.809 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.212 9.394 -0.089 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -1.862 5.647 0.261 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.175 7.017 0.621 1.00 50.00 H new ATOM 268 N SER A 18 -3.381 9.293 -4.946 1.00 50.00 N ATOM 269 CA SER A 18 -3.809 8.892 -6.319 1.00 50.00 C ATOM 270 C SER A 18 -3.436 7.433 -6.591 1.00 50.00 C ATOM 271 O SER A 18 -2.293 7.117 -6.844 1.00 50.00 O ATOM 272 CB SER A 18 -3.047 9.824 -7.258 1.00 50.00 C ATOM 273 OG SER A 18 -3.715 11.078 -7.318 1.00 50.00 O ATOM 0 H SER A 18 -2.402 9.112 -4.724 1.00 50.00 H new ATOM 0 HA SER A 18 -4.888 8.970 -6.452 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.025 9.960 -6.904 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.984 9.384 -8.253 1.00 50.00 H new ATOM 0 HG SER A 18 -3.228 11.680 -7.919 1.00 50.00 H new ATOM 279 N PHE A 19 -4.389 6.542 -6.547 1.00 50.00 N ATOM 280 CA PHE A 19 -4.074 5.107 -6.810 1.00 50.00 C ATOM 281 C PHE A 19 -3.520 4.944 -8.227 1.00 50.00 C ATOM 282 O PHE A 19 -4.261 4.880 -9.188 1.00 50.00 O ATOM 283 CB PHE A 19 -5.402 4.358 -6.673 1.00 50.00 C ATOM 284 CG PHE A 19 -6.191 4.916 -5.512 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.824 4.602 -4.198 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.292 5.749 -5.750 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.556 5.120 -3.124 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.025 6.266 -4.675 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.657 5.952 -3.362 1.00 50.00 C ATOM 0 H PHE A 19 -5.368 6.743 -6.341 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.324 4.724 -6.118 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.978 4.451 -7.593 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.216 3.295 -6.520 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.976 3.960 -4.013 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.575 5.992 -6.763 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -6.272 4.878 -2.111 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.874 6.907 -4.859 1.00 50.00 H new ATOM 0 HZ PHE A 19 -8.222 6.351 -2.533 1.00 50.00 H new ATOM 299 N ALA A 20 -2.225 4.874 -8.366 1.00 50.00 N ATOM 300 CA ALA A 20 -1.634 4.712 -9.724 1.00 50.00 C ATOM 301 C ALA A 20 -1.607 3.232 -10.106 1.00 50.00 C ATOM 302 O ALA A 20 -1.748 2.875 -11.259 1.00 50.00 O ATOM 303 CB ALA A 20 -0.213 5.265 -9.608 1.00 50.00 C ATOM 0 H ALA A 20 -1.552 4.922 -7.601 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.207 5.231 -10.492 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.290 5.181 -10.571 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.254 6.313 -9.310 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.339 4.696 -8.860 1.00 50.00 H new ATOM 309 N LYS A 21 -1.427 2.368 -9.145 1.00 50.00 N ATOM 310 CA LYS A 21 -1.390 0.910 -9.450 1.00 50.00 C ATOM 311 C LYS A 21 -2.076 0.119 -8.333 1.00 50.00 C ATOM 312 O LYS A 21 -2.001 0.473 -7.173 1.00 50.00 O ATOM 313 CB LYS A 21 0.097 0.563 -9.519 1.00 50.00 C ATOM 314 CG LYS A 21 0.837 1.657 -10.289 1.00 50.00 C ATOM 315 CD LYS A 21 2.065 1.055 -10.973 1.00 50.00 C ATOM 316 CE LYS A 21 1.620 -0.060 -11.922 1.00 50.00 C ATOM 317 NZ LYS A 21 2.247 -1.298 -11.382 1.00 50.00 N ATOM 0 H LYS A 21 -1.304 2.609 -8.162 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.911 0.665 -10.376 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.507 0.469 -8.513 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.235 -0.400 -10.010 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.176 2.105 -11.032 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.140 2.454 -9.610 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.602 1.826 -11.526 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.754 0.660 -10.227 1.00 50.00 H new ATOM 0 HE2 LYS A 21 0.534 -0.146 -11.948 1.00 50.00 H new ATOM 0 HE3 LYS A 21 1.948 0.136 -12.943 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 1.820 -2.130 -11.837 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.269 -1.283 -11.577 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.091 -1.347 -10.355 1.00 50.00 H new ATOM 331 N ASN A 22 -2.740 -0.950 -8.673 1.00 50.00 N ATOM 332 CA ASN A 22 -3.426 -1.763 -7.629 1.00 50.00 C ATOM 333 C ASN A 22 -2.391 -2.429 -6.720 1.00 50.00 C ATOM 334 O ASN A 22 -1.236 -2.551 -7.079 1.00 50.00 O ATOM 335 CB ASN A 22 -4.219 -2.816 -8.404 1.00 50.00 C ATOM 336 CG ASN A 22 -3.303 -3.500 -9.421 1.00 50.00 C ATOM 337 OD1 ASN A 22 -2.099 -3.340 -9.376 1.00 50.00 O ATOM 338 ND2 ASN A 22 -3.825 -4.263 -10.342 1.00 50.00 N ATOM 0 H ASN A 22 -2.838 -1.296 -9.627 1.00 50.00 H new ATOM 0 HA ASN A 22 -4.071 -1.160 -6.990 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -4.632 -3.554 -7.717 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -5.062 -2.349 -8.914 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -3.223 -4.725 -11.024 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -4.835 -4.398 -10.380 1.00 50.00 H new ATOM 345 N PRO A 23 -2.842 -2.840 -5.567 1.00 50.00 N ATOM 346 CA PRO A 23 -1.944 -3.504 -4.591 1.00 50.00 C ATOM 347 C PRO A 23 -1.573 -4.907 -5.078 1.00 50.00 C ATOM 348 O PRO A 23 -2.428 -5.714 -5.382 1.00 50.00 O ATOM 349 CB PRO A 23 -2.784 -3.569 -3.319 1.00 50.00 C ATOM 350 CG PRO A 23 -4.202 -3.528 -3.792 1.00 50.00 C ATOM 351 CD PRO A 23 -4.217 -2.732 -5.070 1.00 50.00 C ATOM 0 HA PRO A 23 -1.002 -2.976 -4.444 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.581 -4.481 -2.758 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.564 -2.732 -2.657 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.581 -4.536 -3.961 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.845 -3.067 -3.043 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.933 -3.137 -5.785 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.497 -1.694 -4.891 1.00 50.00 H new ATOM 359 N ALA A 24 -0.304 -5.203 -5.157 1.00 50.00 N ATOM 360 CA ALA A 24 0.114 -6.554 -5.628 1.00 50.00 C ATOM 361 C ALA A 24 0.991 -7.235 -4.575 1.00 50.00 C ATOM 362 O ALA A 24 1.660 -6.586 -3.796 1.00 50.00 O ATOM 363 CB ALA A 24 0.909 -6.299 -6.909 1.00 50.00 C ATOM 0 H ALA A 24 0.459 -4.570 -4.917 1.00 50.00 H new ATOM 0 HA ALA A 24 -0.737 -7.212 -5.802 1.00 50.00 H new ATOM 0 HB1 ALA A 24 1.253 -7.249 -7.319 1.00 50.00 H new ATOM 0 HB2 ALA A 24 0.273 -5.798 -7.639 1.00 50.00 H new ATOM 0 HB3 ALA A 24 1.769 -5.668 -6.684 1.00 50.00 H new ATOM 369 N ASP A 25 0.993 -8.541 -4.546 1.00 50.00 N ATOM 370 CA ASP A 25 1.826 -9.264 -3.543 1.00 50.00 C ATOM 371 C ASP A 25 3.212 -9.557 -4.124 1.00 50.00 C ATOM 372 O ASP A 25 3.342 -10.076 -5.214 1.00 50.00 O ATOM 373 CB ASP A 25 1.074 -10.567 -3.267 1.00 50.00 C ATOM 374 CG ASP A 25 1.036 -11.414 -4.541 1.00 50.00 C ATOM 375 OD1 ASP A 25 2.024 -12.072 -4.820 1.00 50.00 O ATOM 376 OD2 ASP A 25 0.018 -11.392 -5.214 1.00 50.00 O ATOM 0 H ASP A 25 0.454 -9.138 -5.173 1.00 50.00 H new ATOM 0 HA ASP A 25 1.977 -8.682 -2.634 1.00 50.00 H new ATOM 0 HB2 ASP A 25 1.564 -11.119 -2.465 1.00 50.00 H new ATOM 0 HB3 ASP A 25 0.060 -10.350 -2.931 1.00 50.00 H new ATOM 381 N THR A 26 4.250 -9.230 -3.403 1.00 50.00 N ATOM 382 CA THR A 26 5.625 -9.492 -3.915 1.00 50.00 C ATOM 383 C THR A 26 6.258 -10.659 -3.153 1.00 50.00 C ATOM 384 O THR A 26 7.377 -11.052 -3.418 1.00 50.00 O ATOM 385 CB THR A 26 6.401 -8.197 -3.653 1.00 50.00 C ATOM 386 OG1 THR A 26 5.521 -7.216 -3.124 1.00 50.00 O ATOM 387 CG2 THR A 26 7.007 -7.690 -4.962 1.00 50.00 C ATOM 0 H THR A 26 4.205 -8.793 -2.482 1.00 50.00 H new ATOM 0 HA THR A 26 5.628 -9.762 -4.971 1.00 50.00 H new ATOM 0 HB THR A 26 7.199 -8.391 -2.937 1.00 50.00 H new ATOM 0 HG1 THR A 26 5.914 -6.825 -2.316 1.00 50.00 H new ATOM 0 HG21 THR A 26 7.559 -6.769 -4.775 1.00 50.00 H new ATOM 0 HG22 THR A 26 7.684 -8.443 -5.365 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.211 -7.496 -5.681 1.00 50.00 H new ATOM 395 N GLY A 27 5.550 -11.216 -2.209 1.00 50.00 N ATOM 396 CA GLY A 27 6.113 -12.357 -1.433 1.00 50.00 C ATOM 397 C GLY A 27 5.043 -12.910 -0.489 1.00 50.00 C ATOM 398 O GLY A 27 3.933 -13.196 -0.892 1.00 50.00 O ATOM 0 H GLY A 27 4.608 -10.931 -1.942 1.00 50.00 H new ATOM 0 HA2 GLY A 27 6.454 -13.139 -2.112 1.00 50.00 H new ATOM 0 HA3 GLY A 27 6.982 -12.029 -0.863 1.00 50.00 H new ATOM 402 N HIS A 28 5.368 -13.065 0.765 1.00 50.00 N ATOM 403 CA HIS A 28 4.370 -13.602 1.734 1.00 50.00 C ATOM 404 C HIS A 28 3.961 -12.514 2.730 1.00 50.00 C ATOM 405 O HIS A 28 4.647 -12.254 3.699 1.00 50.00 O ATOM 406 CB HIS A 28 5.091 -14.741 2.452 1.00 50.00 C ATOM 407 CG HIS A 28 4.219 -15.967 2.453 1.00 50.00 C ATOM 408 ND1 HIS A 28 4.709 -17.223 2.134 1.00 50.00 N ATOM 409 CD2 HIS A 28 2.887 -16.145 2.735 1.00 50.00 C ATOM 410 CE1 HIS A 28 3.687 -18.093 2.230 1.00 50.00 C ATOM 411 NE2 HIS A 28 2.554 -17.488 2.592 1.00 50.00 N ATOM 0 H HIS A 28 6.281 -12.843 1.161 1.00 50.00 H new ATOM 0 HA HIS A 28 3.458 -13.941 1.243 1.00 50.00 H new ATOM 0 HB2 HIS A 28 6.038 -14.956 1.956 1.00 50.00 H new ATOM 0 HB3 HIS A 28 5.326 -14.449 3.475 1.00 50.00 H new ATOM 0 HD2 HIS A 28 2.202 -15.362 3.024 1.00 50.00 H new ATOM 0 HE1 HIS A 28 3.773 -19.152 2.037 1.00 50.00 H new ATOM 0 HE2 HIS A 28 1.640 -17.918 2.733 1.00 50.00 H new ATOM 419 N GLY A 29 2.845 -11.875 2.501 1.00 50.00 N ATOM 420 CA GLY A 29 2.393 -10.808 3.437 1.00 50.00 C ATOM 421 C GLY A 29 2.992 -9.466 3.013 1.00 50.00 C ATOM 422 O GLY A 29 3.204 -8.586 3.825 1.00 50.00 O ATOM 0 H GLY A 29 2.228 -12.046 1.707 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.305 -10.748 3.438 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.700 -11.049 4.455 1.00 50.00 H new ATOM 426 N THR A 30 3.264 -9.297 1.748 1.00 50.00 N ATOM 427 CA THR A 30 3.845 -8.007 1.279 1.00 50.00 C ATOM 428 C THR A 30 3.055 -7.477 0.080 1.00 50.00 C ATOM 429 O THR A 30 3.139 -8.002 -1.013 1.00 50.00 O ATOM 430 CB THR A 30 5.281 -8.342 0.870 1.00 50.00 C ATOM 431 OG1 THR A 30 5.298 -9.588 0.187 1.00 50.00 O ATOM 432 CG2 THR A 30 6.162 -8.428 2.118 1.00 50.00 C ATOM 0 H THR A 30 3.109 -9.995 1.020 1.00 50.00 H new ATOM 0 HA THR A 30 3.811 -7.236 2.048 1.00 50.00 H new ATOM 0 HB THR A 30 5.664 -7.562 0.212 1.00 50.00 H new ATOM 0 HG1 THR A 30 4.565 -9.615 -0.463 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.185 -8.667 1.826 1.00 50.00 H new ATOM 0 HG22 THR A 30 6.148 -7.471 2.640 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.782 -9.207 2.779 1.00 50.00 H new ATOM 440 N VAL A 31 2.287 -6.442 0.276 1.00 50.00 N ATOM 441 CA VAL A 31 1.494 -5.877 -0.843 1.00 50.00 C ATOM 442 C VAL A 31 2.038 -4.501 -1.230 1.00 50.00 C ATOM 443 O VAL A 31 1.992 -3.564 -0.459 1.00 50.00 O ATOM 444 CB VAL A 31 0.069 -5.762 -0.302 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.851 -5.227 -1.400 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.417 -7.144 0.142 1.00 50.00 C ATOM 0 H VAL A 31 2.176 -5.963 1.170 1.00 50.00 H new ATOM 0 HA VAL A 31 1.538 -6.498 -1.738 1.00 50.00 H new ATOM 0 HB VAL A 31 0.055 -5.079 0.548 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.867 -5.145 -1.015 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.503 -4.245 -1.719 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.839 -5.910 -2.249 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.433 -7.066 0.528 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.404 -7.825 -0.709 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.240 -7.527 0.923 1.00 50.00 H new ATOM 456 N VAL A 32 2.562 -4.374 -2.417 1.00 50.00 N ATOM 457 CA VAL A 32 3.117 -3.065 -2.851 1.00 50.00 C ATOM 458 C VAL A 32 2.068 -2.270 -3.633 1.00 50.00 C ATOM 459 O VAL A 32 1.336 -2.808 -4.439 1.00 50.00 O ATOM 460 CB VAL A 32 4.298 -3.425 -3.748 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.469 -3.899 -2.886 1.00 50.00 C ATOM 462 CG2 VAL A 32 3.889 -4.541 -4.713 1.00 50.00 C ATOM 0 H VAL A 32 2.629 -5.123 -3.106 1.00 50.00 H new ATOM 0 HA VAL A 32 3.414 -2.441 -2.008 1.00 50.00 H new ATOM 0 HB VAL A 32 4.599 -2.546 -4.318 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.312 -4.156 -3.527 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.763 -3.103 -2.202 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.168 -4.776 -2.314 1.00 50.00 H new ATOM 0 HG21 VAL A 32 4.734 -4.797 -5.353 1.00 50.00 H new ATOM 0 HG22 VAL A 32 3.585 -5.420 -4.145 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.057 -4.202 -5.330 1.00 50.00 H new ATOM 472 N ILE A 33 1.998 -0.989 -3.401 1.00 50.00 N ATOM 473 CA ILE A 33 1.008 -0.144 -4.127 1.00 50.00 C ATOM 474 C ILE A 33 1.621 1.228 -4.425 1.00 50.00 C ATOM 475 O ILE A 33 2.290 1.811 -3.595 1.00 50.00 O ATOM 476 CB ILE A 33 -0.180 -0.018 -3.169 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.436 0.353 -3.963 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.106 1.066 -2.128 1.00 50.00 C ATOM 479 CD1 ILE A 33 -1.221 1.698 -4.658 1.00 50.00 C ATOM 0 H ILE A 33 2.587 -0.488 -2.736 1.00 50.00 H new ATOM 0 HA ILE A 33 0.707 -0.572 -5.083 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.336 -0.970 -2.661 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.654 -0.419 -4.701 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -2.297 0.409 -3.297 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.742 1.151 -1.449 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.999 0.800 -1.562 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.266 2.020 -2.631 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -2.115 1.962 -5.223 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -1.024 2.466 -3.910 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -0.371 1.625 -5.336 1.00 50.00 H new ATOM 491 N GLU A 34 1.414 1.743 -5.606 1.00 50.00 N ATOM 492 CA GLU A 34 2.004 3.070 -5.949 1.00 50.00 C ATOM 493 C GLU A 34 0.908 4.123 -6.135 1.00 50.00 C ATOM 494 O GLU A 34 0.083 4.027 -7.021 1.00 50.00 O ATOM 495 CB GLU A 34 2.749 2.841 -7.265 1.00 50.00 C ATOM 496 CG GLU A 34 3.926 3.813 -7.360 1.00 50.00 C ATOM 497 CD GLU A 34 4.698 3.556 -8.657 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.167 2.868 -9.513 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.808 4.051 -8.770 1.00 50.00 O ATOM 0 H GLU A 34 0.865 1.306 -6.346 1.00 50.00 H new ATOM 0 HA GLU A 34 2.659 3.439 -5.160 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.107 1.813 -7.318 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.074 2.987 -8.108 1.00 50.00 H new ATOM 0 HG2 GLU A 34 3.565 4.841 -7.337 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.585 3.687 -6.501 1.00 50.00 H new ATOM 506 N LEU A 35 0.904 5.136 -5.311 1.00 50.00 N ATOM 507 CA LEU A 35 -0.127 6.207 -5.448 1.00 50.00 C ATOM 508 C LEU A 35 0.561 7.571 -5.497 1.00 50.00 C ATOM 509 O LEU A 35 1.524 7.811 -4.802 1.00 50.00 O ATOM 510 CB LEU A 35 -1.011 6.094 -4.203 1.00 50.00 C ATOM 511 CG LEU A 35 -1.097 4.635 -3.760 1.00 50.00 C ATOM 512 CD1 LEU A 35 0.118 4.296 -2.896 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.376 4.419 -2.949 1.00 50.00 C ATOM 0 H LEU A 35 1.569 5.269 -4.549 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.715 6.101 -6.360 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.601 6.704 -3.398 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.008 6.478 -4.418 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.113 3.989 -4.638 1.00 50.00 H new ATOM 0 HD11 LEU A 35 0.059 3.255 -2.578 1.00 50.00 H new ATOM 0 HD12 LEU A 35 1.029 4.448 -3.474 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.133 4.943 -2.019 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.435 3.377 -2.634 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.363 5.064 -2.070 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.242 4.662 -3.564 1.00 50.00 H new ATOM 525 N SER A 36 0.076 8.469 -6.308 1.00 50.00 N ATOM 526 CA SER A 36 0.707 9.805 -6.396 1.00 50.00 C ATOM 527 C SER A 36 0.120 10.722 -5.333 1.00 50.00 C ATOM 528 O SER A 36 -1.077 10.922 -5.270 1.00 50.00 O ATOM 529 CB SER A 36 0.370 10.318 -7.796 1.00 50.00 C ATOM 530 OG SER A 36 -0.619 9.481 -8.380 1.00 50.00 O ATOM 0 H SER A 36 -0.733 8.330 -6.914 1.00 50.00 H new ATOM 0 HA SER A 36 1.784 9.768 -6.231 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.008 11.345 -7.742 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.266 10.329 -8.417 1.00 50.00 H new ATOM 0 HG SER A 36 -0.837 9.810 -9.277 1.00 50.00 H new ATOM 536 N TYR A 37 0.941 11.282 -4.493 1.00 50.00 N ATOM 537 CA TYR A 37 0.395 12.181 -3.447 1.00 50.00 C ATOM 538 C TYR A 37 0.387 13.620 -3.964 1.00 50.00 C ATOM 539 O TYR A 37 1.402 14.284 -3.993 1.00 50.00 O ATOM 540 CB TYR A 37 1.338 12.028 -2.253 1.00 50.00 C ATOM 541 CG TYR A 37 1.269 13.267 -1.389 1.00 50.00 C ATOM 542 CD1 TYR A 37 0.055 13.645 -0.805 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.419 14.035 -1.174 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.010 14.792 -0.005 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.354 15.182 -0.374 1.00 50.00 C ATOM 546 CZ TYR A 37 1.140 15.560 0.211 1.00 50.00 C ATOM 547 OH TYR A 37 1.075 16.691 1.000 1.00 49.57 O ATOM 0 H TYR A 37 1.953 11.158 -4.485 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.631 11.935 -3.172 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.062 11.150 -1.669 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.359 11.872 -2.601 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.832 13.052 -0.971 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.356 13.743 -1.625 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -0.947 15.084 0.445 1.00 50.00 H new ATOM 0 HE2 TYR A 37 3.241 15.775 -0.208 1.00 50.00 H new ATOM 0 HH TYR A 37 1.980 17.032 1.159 1.00 49.57 H new ATOM 557 N SER A 38 -0.750 14.105 -4.377 1.00 50.00 N ATOM 558 CA SER A 38 -0.817 15.491 -4.894 1.00 50.00 C ATOM 559 C SER A 38 -1.268 16.438 -3.784 1.00 50.00 C ATOM 560 O SER A 38 -2.364 16.963 -3.806 1.00 50.00 O ATOM 561 CB SER A 38 -1.849 15.447 -6.021 1.00 50.00 C ATOM 562 OG SER A 38 -1.346 16.155 -7.146 1.00 50.00 O ATOM 0 H SER A 38 -1.635 13.597 -4.377 1.00 50.00 H new ATOM 0 HA SER A 38 0.149 15.851 -5.248 1.00 50.00 H new ATOM 0 HB2 SER A 38 -2.063 14.414 -6.293 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.788 15.890 -5.688 1.00 50.00 H new ATOM 0 HG SER A 38 -2.005 16.127 -7.871 1.00 50.00 H new ATOM 568 N GLY A 39 -0.433 16.654 -2.809 1.00 99.99 N ATOM 569 CA GLY A 39 -0.812 17.558 -1.692 1.00 99.99 C ATOM 570 C GLY A 39 0.037 18.829 -1.754 1.00 99.99 C ATOM 571 O GLY A 39 1.249 18.774 -1.818 1.00 99.99 O ATOM 0 H GLY A 39 0.498 16.242 -2.738 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.870 17.811 -1.758 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -0.664 17.055 -0.736 1.00 99.99 H new ATOM 575 N SER A 40 -0.590 19.974 -1.738 1.00 99.99 N ATOM 576 CA SER A 40 0.183 21.249 -1.800 1.00 99.99 C ATOM 577 C SER A 40 0.806 21.565 -0.437 1.00 99.99 C ATOM 578 O SER A 40 1.388 22.613 -0.240 1.00 99.99 O ATOM 579 CB SER A 40 -0.844 22.315 -2.179 1.00 99.99 C ATOM 580 OG SER A 40 -1.497 22.778 -1.006 1.00 99.99 O ATOM 0 H SER A 40 -1.603 20.082 -1.685 1.00 99.99 H new ATOM 0 HA SER A 40 1.003 21.197 -2.516 1.00 99.99 H new ATOM 0 HB2 SER A 40 -0.353 23.145 -2.687 1.00 99.99 H new ATOM 0 HB3 SER A 40 -1.573 21.902 -2.876 1.00 99.99 H new ATOM 0 HG SER A 40 -2.155 23.463 -1.247 1.00 99.99 H new ATOM 586 N ASP A 41 0.692 20.667 0.504 1.00 99.99 N ATOM 587 CA ASP A 41 1.284 20.918 1.849 1.00 99.99 C ATOM 588 C ASP A 41 2.661 20.258 1.944 1.00 99.99 C ATOM 589 O ASP A 41 3.357 20.390 2.932 1.00 99.99 O ATOM 590 CB ASP A 41 0.308 20.276 2.837 1.00 99.99 C ATOM 591 CG ASP A 41 -0.174 21.329 3.837 1.00 99.99 C ATOM 592 OD1 ASP A 41 -1.164 21.983 3.549 1.00 99.99 O ATOM 593 OD2 ASP A 41 0.453 21.463 4.875 1.00 99.99 O ATOM 0 H ASP A 41 0.215 19.771 0.400 1.00 99.99 H new ATOM 0 HA ASP A 41 1.425 21.980 2.051 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.542 19.852 2.302 1.00 99.99 H new ATOM 0 HB3 ASP A 41 0.795 19.455 3.364 1.00 99.99 H new ATOM 598 N GLY A 42 3.060 19.548 0.924 1.00 99.99 N ATOM 599 CA GLY A 42 4.391 18.880 0.953 1.00 99.99 C ATOM 600 C GLY A 42 4.286 17.570 1.735 1.00 99.99 C ATOM 601 O GLY A 42 3.333 16.831 1.583 1.00 99.99 O ATOM 0 H GLY A 42 2.520 19.402 0.071 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.733 18.683 -0.063 1.00 99.99 H new ATOM 0 HA3 GLY A 42 5.129 19.535 1.417 1.00 99.99 H new ATOM 605 N PRO A 43 5.274 17.327 2.552 1.00 99.99 N ATOM 606 CA PRO A 43 5.297 16.093 3.373 1.00 99.99 C ATOM 607 C PRO A 43 4.234 16.166 4.473 1.00 99.99 C ATOM 608 O PRO A 43 3.987 17.211 5.043 1.00 99.99 O ATOM 609 CB PRO A 43 6.704 16.081 3.965 1.00 99.99 C ATOM 610 CG PRO A 43 7.136 17.510 3.957 1.00 99.99 C ATOM 611 CD PRO A 43 6.451 18.170 2.788 1.00 99.99 C ATOM 0 HA PRO A 43 5.078 15.191 2.802 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.704 15.674 4.976 1.00 99.99 H new ATOM 0 HB3 PRO A 43 7.377 15.461 3.372 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.863 18.001 4.891 1.00 99.99 H new ATOM 0 HG3 PRO A 43 8.219 17.585 3.862 1.00 99.99 H new ATOM 0 HD2 PRO A 43 6.168 19.197 3.018 1.00 99.99 H new ATOM 0 HD3 PRO A 43 7.099 18.206 1.913 1.00 99.99 H new ATOM 619 N CYS A 44 3.599 15.067 4.767 1.00 50.00 N ATOM 620 CA CYS A 44 2.543 15.073 5.819 1.00 50.00 C ATOM 621 C CYS A 44 2.124 13.639 6.151 1.00 50.00 C ATOM 622 O CYS A 44 2.376 12.720 5.397 1.00 50.00 O ATOM 623 CB CYS A 44 1.376 15.836 5.201 1.00 50.00 C ATOM 624 SG CYS A 44 0.778 17.085 6.367 1.00 50.00 S ATOM 0 H CYS A 44 3.765 14.163 4.324 1.00 50.00 H new ATOM 0 HA CYS A 44 2.886 15.530 6.747 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.691 16.312 4.273 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.571 15.146 4.948 1.00 50.00 H new ATOM 629 N LYS A 45 1.484 13.439 7.269 1.00 50.00 N ATOM 630 CA LYS A 45 1.050 12.061 7.634 1.00 50.00 C ATOM 631 C LYS A 45 -0.156 11.653 6.786 1.00 50.00 C ATOM 632 O LYS A 45 -1.228 12.211 6.910 1.00 50.00 O ATOM 633 CB LYS A 45 0.665 12.133 9.114 1.00 50.00 C ATOM 634 CG LYS A 45 1.762 12.854 9.901 1.00 50.00 C ATOM 635 CD LYS A 45 3.086 12.103 9.749 1.00 50.00 C ATOM 636 CE LYS A 45 4.241 13.105 9.727 1.00 50.00 C ATOM 637 NZ LYS A 45 5.427 12.313 9.298 1.00 50.00 N ATOM 0 H LYS A 45 1.243 14.166 7.943 1.00 50.00 H new ATOM 0 HA LYS A 45 1.833 11.323 7.459 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.283 12.660 9.227 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.521 11.128 9.511 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.870 13.877 9.539 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.487 12.915 10.954 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.215 11.401 10.573 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.081 11.518 8.830 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.041 13.923 9.035 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.397 13.550 10.710 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 6.210 12.471 9.964 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 5.183 11.302 9.285 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.718 12.612 8.345 1.00 50.00 H new ATOM 651 N ILE A 46 0.005 10.685 5.925 1.00 50.00 N ATOM 652 CA ILE A 46 -1.143 10.256 5.077 1.00 50.00 C ATOM 653 C ILE A 46 -2.140 9.448 5.912 1.00 50.00 C ATOM 654 O ILE A 46 -1.815 8.393 6.421 1.00 50.00 O ATOM 655 CB ILE A 46 -0.538 9.390 3.970 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.752 10.040 3.461 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.539 9.272 2.818 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.177 9.384 2.145 1.00 50.00 C ATOM 0 H ILE A 46 0.876 10.176 5.773 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.686 11.106 4.664 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.313 8.398 4.363 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.598 11.109 3.312 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.542 9.932 4.204 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.112 8.656 2.027 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.458 8.812 3.180 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.760 10.264 2.425 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.095 9.849 1.786 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.349 8.320 2.308 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.390 9.515 1.402 1.00 50.00 H new ATOM 670 N PRO A 47 -3.325 9.980 6.026 1.00 50.00 N ATOM 671 CA PRO A 47 -4.388 9.314 6.807 1.00 50.00 C ATOM 672 C PRO A 47 -5.062 8.230 5.963 1.00 50.00 C ATOM 673 O PRO A 47 -6.200 8.363 5.560 1.00 50.00 O ATOM 674 CB PRO A 47 -5.361 10.446 7.116 1.00 50.00 C ATOM 675 CG PRO A 47 -5.152 11.466 6.035 1.00 50.00 C ATOM 676 CD PRO A 47 -3.781 11.244 5.441 1.00 50.00 C ATOM 0 HA PRO A 47 -4.020 8.818 7.705 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.390 10.087 7.122 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.166 10.872 8.100 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.920 11.370 5.267 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.232 12.474 6.442 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.825 11.184 4.354 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.105 12.062 5.688 1.00 50.00 H new ATOM 684 N ILE A 48 -4.368 7.158 5.689 1.00 50.00 N ATOM 685 CA ILE A 48 -4.972 6.072 4.865 1.00 50.00 C ATOM 686 C ILE A 48 -5.053 4.776 5.675 1.00 50.00 C ATOM 687 O ILE A 48 -4.213 4.496 6.505 1.00 50.00 O ATOM 688 CB ILE A 48 -4.026 5.906 3.675 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.360 6.953 2.611 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.188 4.508 3.076 1.00 50.00 C ATOM 691 CD1 ILE A 48 -4.260 8.353 3.221 1.00 50.00 C ATOM 0 H ILE A 48 -3.411 6.988 5.999 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.987 6.309 4.547 1.00 50.00 H new ATOM 0 HB ILE A 48 -2.998 6.038 4.012 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -3.674 6.862 1.769 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -5.365 6.785 2.223 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.512 4.395 2.229 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -3.952 3.759 3.832 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.216 4.373 2.740 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -4.498 9.098 2.462 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -4.964 8.440 4.049 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -3.247 8.519 3.587 1.00 50.00 H new ATOM 703 N VAL A 49 -6.060 3.984 5.434 1.00 50.00 N ATOM 704 CA VAL A 49 -6.198 2.703 6.183 1.00 50.00 C ATOM 705 C VAL A 49 -6.360 1.536 5.206 1.00 50.00 C ATOM 706 O VAL A 49 -7.039 1.645 4.204 1.00 50.00 O ATOM 707 CB VAL A 49 -7.458 2.876 7.033 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.697 2.761 6.144 1.00 50.00 C ATOM 709 CG2 VAL A 49 -7.501 1.786 8.108 1.00 50.00 C ATOM 0 H VAL A 49 -6.794 4.168 4.750 1.00 50.00 H new ATOM 0 HA VAL A 49 -5.323 2.483 6.795 1.00 50.00 H new ATOM 0 HB VAL A 49 -7.442 3.857 7.507 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.593 2.885 6.752 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -8.668 3.536 5.378 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -8.714 1.781 5.668 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -8.398 1.908 8.714 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -7.516 0.806 7.632 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -6.620 1.867 8.744 1.00 50.00 H new ATOM 719 N SER A 50 -5.746 0.421 5.488 1.00 50.00 N ATOM 720 CA SER A 50 -5.871 -0.749 4.575 1.00 50.00 C ATOM 721 C SER A 50 -6.761 -1.813 5.216 1.00 50.00 C ATOM 722 O SER A 50 -6.332 -2.565 6.069 1.00 50.00 O ATOM 723 CB SER A 50 -4.447 -1.273 4.399 1.00 50.00 C ATOM 724 OG SER A 50 -3.668 -0.301 3.715 1.00 50.00 O ATOM 0 H SER A 50 -5.163 0.269 6.311 1.00 50.00 H new ATOM 0 HA SER A 50 -6.323 -0.485 3.619 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.005 -1.491 5.371 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.458 -2.207 3.837 1.00 50.00 H new ATOM 0 HG SER A 50 -3.514 -0.595 2.793 1.00 50.00 H new ATOM 730 N VAL A 51 -7.998 -1.879 4.816 1.00 50.00 N ATOM 731 CA VAL A 51 -8.917 -2.892 5.404 1.00 50.00 C ATOM 732 C VAL A 51 -9.204 -3.997 4.385 1.00 50.00 C ATOM 733 O VAL A 51 -9.086 -3.799 3.193 1.00 50.00 O ATOM 734 CB VAL A 51 -10.194 -2.121 5.735 1.00 50.00 C ATOM 735 CG1 VAL A 51 -11.220 -3.069 6.359 1.00 50.00 C ATOM 736 CG2 VAL A 51 -9.868 -1.000 6.725 1.00 50.00 C ATOM 0 H VAL A 51 -8.414 -1.275 4.107 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.493 -3.375 6.285 1.00 50.00 H new ATOM 0 HB VAL A 51 -10.606 -1.694 4.821 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -12.130 -2.517 6.594 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -11.452 -3.868 5.655 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -10.810 -3.499 7.273 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -10.778 -0.448 6.963 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -9.455 -1.429 7.638 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -9.139 -0.323 6.281 1.00 50.00 H new ATOM 746 N ALA A 52 -9.588 -5.154 4.844 1.00 50.00 N ATOM 747 CA ALA A 52 -9.893 -6.266 3.900 1.00 50.00 C ATOM 748 C ALA A 52 -11.205 -5.965 3.175 1.00 50.00 C ATOM 749 O ALA A 52 -11.962 -5.112 3.589 1.00 50.00 O ATOM 750 CB ALA A 52 -10.032 -7.508 4.779 1.00 50.00 C ATOM 0 H ALA A 52 -9.704 -5.379 5.832 1.00 50.00 H new ATOM 0 HA ALA A 52 -9.123 -6.401 3.140 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -10.258 -8.372 4.154 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -9.099 -7.681 5.315 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -10.839 -7.358 5.496 1.00 50.00 H new ATOM 756 N SER A 53 -11.490 -6.644 2.096 1.00 50.00 N ATOM 757 CA SER A 53 -12.767 -6.358 1.388 1.00 50.00 C ATOM 758 C SER A 53 -13.936 -6.869 2.228 1.00 50.00 C ATOM 759 O SER A 53 -14.237 -8.047 2.247 1.00 50.00 O ATOM 760 CB SER A 53 -12.673 -7.122 0.068 1.00 50.00 C ATOM 761 OG SER A 53 -13.923 -7.048 -0.608 1.00 50.00 O ATOM 0 H SER A 53 -10.906 -7.370 1.682 1.00 50.00 H new ATOM 0 HA SER A 53 -12.927 -5.293 1.220 1.00 50.00 H new ATOM 0 HB2 SER A 53 -11.884 -6.700 -0.555 1.00 50.00 H new ATOM 0 HB3 SER A 53 -12.409 -8.163 0.255 1.00 50.00 H new ATOM 0 HG SER A 53 -14.219 -6.115 -0.647 1.00 50.00 H new ATOM 767 N LEU A 54 -14.594 -5.986 2.926 1.00 50.00 N ATOM 768 CA LEU A 54 -15.743 -6.451 3.767 1.00 50.00 C ATOM 769 C LEU A 54 -16.287 -5.323 4.638 1.00 50.00 C ATOM 770 O LEU A 54 -17.364 -4.812 4.403 1.00 50.00 O ATOM 771 CB LEU A 54 -15.170 -7.562 4.651 1.00 50.00 C ATOM 772 CG LEU A 54 -16.123 -8.760 4.651 1.00 50.00 C ATOM 773 CD1 LEU A 54 -17.525 -8.303 5.062 1.00 50.00 C ATOM 774 CD2 LEU A 54 -16.177 -9.370 3.248 1.00 50.00 C ATOM 0 H LEU A 54 -14.397 -4.986 2.955 1.00 50.00 H new ATOM 0 HA LEU A 54 -16.572 -6.793 3.147 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -14.190 -7.864 4.283 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -15.030 -7.196 5.668 1.00 50.00 H new ATOM 0 HG LEU A 54 -15.764 -9.506 5.360 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -18.201 -9.158 5.061 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -17.488 -7.871 6.062 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -17.885 -7.555 4.356 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -16.856 -10.223 3.248 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -16.534 -8.622 2.540 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -15.180 -9.700 2.956 1.00 50.00 H new ATOM 786 N ASN A 55 -15.560 -4.928 5.641 1.00 50.00 N ATOM 787 CA ASN A 55 -16.052 -3.831 6.522 1.00 50.00 C ATOM 788 C ASN A 55 -15.711 -2.469 5.914 1.00 50.00 C ATOM 789 O ASN A 55 -14.779 -2.335 5.146 1.00 50.00 O ATOM 790 CB ASN A 55 -15.303 -4.029 7.840 1.00 50.00 C ATOM 791 CG ASN A 55 -15.908 -5.209 8.601 1.00 50.00 C ATOM 792 OD1 ASN A 55 -17.104 -5.421 8.565 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.127 -5.991 9.295 1.00 50.00 N ATOM 0 H ASN A 55 -14.649 -5.314 5.891 1.00 50.00 H new ATOM 0 HA ASN A 55 -17.134 -3.857 6.653 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -14.246 -4.212 7.646 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -15.364 -3.124 8.444 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.520 -6.780 9.807 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.123 -5.813 9.325 1.00 50.00 H new ATOM 800 N ASP A 56 -16.459 -1.455 6.254 1.00 50.00 N ATOM 801 CA ASP A 56 -16.178 -0.101 5.700 1.00 50.00 C ATOM 802 C ASP A 56 -15.550 0.789 6.777 1.00 50.00 C ATOM 803 O ASP A 56 -14.866 1.749 6.484 1.00 50.00 O ATOM 804 CB ASP A 56 -17.543 0.446 5.280 1.00 50.00 C ATOM 805 CG ASP A 56 -18.106 -0.404 4.138 1.00 50.00 C ATOM 806 OD1 ASP A 56 -17.784 -1.579 4.087 1.00 50.00 O ATOM 807 OD2 ASP A 56 -18.851 0.136 3.336 1.00 50.00 O ATOM 0 H ASP A 56 -17.253 -1.506 6.892 1.00 50.00 H new ATOM 0 HA ASP A 56 -15.478 -0.132 4.865 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -18.228 0.434 6.128 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -17.448 1.484 4.962 1.00 50.00 H new ATOM 812 N MET A 57 -15.779 0.475 8.024 1.00 50.00 N ATOM 813 CA MET A 57 -15.197 1.301 9.121 1.00 50.00 C ATOM 814 C MET A 57 -14.412 0.415 10.093 1.00 50.00 C ATOM 815 O MET A 57 -14.421 0.632 11.289 1.00 50.00 O ATOM 816 CB MET A 57 -16.403 1.929 9.822 1.00 50.00 C ATOM 817 CG MET A 57 -16.010 3.287 10.408 1.00 50.00 C ATOM 818 SD MET A 57 -16.644 3.422 12.097 1.00 50.00 S ATOM 819 CE MET A 57 -15.072 3.818 12.900 1.00 50.00 C ATOM 0 H MET A 57 -16.344 -0.317 8.330 1.00 50.00 H new ATOM 0 HA MET A 57 -14.502 2.054 8.748 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.224 2.051 9.115 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.759 1.270 10.614 1.00 50.00 H new ATOM 0 HG2 MET A 57 -14.925 3.396 10.406 1.00 50.00 H new ATOM 0 HG3 MET A 57 -16.412 4.091 9.792 1.00 50.00 H new ATOM 0 HE1 MET A 57 -15.232 3.946 13.970 1.00 50.00 H new ATOM 0 HE2 MET A 57 -14.364 3.006 12.734 1.00 50.00 H new ATOM 0 HE3 MET A 57 -14.671 4.741 12.480 1.00 50.00 H new ATOM 829 N THR A 58 -13.733 -0.581 9.592 1.00 50.00 N ATOM 830 CA THR A 58 -12.951 -1.478 10.492 1.00 50.00 C ATOM 831 C THR A 58 -11.560 -1.734 9.909 1.00 50.00 C ATOM 832 O THR A 58 -11.407 -2.511 8.986 1.00 50.00 O ATOM 833 CB THR A 58 -13.758 -2.776 10.554 1.00 50.00 C ATOM 834 OG1 THR A 58 -15.140 -2.479 10.411 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.519 -3.463 11.899 1.00 50.00 C ATOM 0 H THR A 58 -13.686 -0.813 8.600 1.00 50.00 H new ATOM 0 HA THR A 58 -12.802 -1.044 11.481 1.00 50.00 H new ATOM 0 HB THR A 58 -13.443 -3.439 9.749 1.00 50.00 H new ATOM 0 HG1 THR A 58 -15.664 -3.301 10.513 1.00 50.00 H new ATOM 0 HG21 THR A 58 -14.094 -4.388 11.943 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.458 -3.690 12.008 1.00 50.00 H new ATOM 0 HG23 THR A 58 -13.834 -2.802 12.706 1.00 50.00 H new ATOM 843 N PRO A 59 -10.590 -1.067 10.471 1.00 50.00 N ATOM 844 CA PRO A 59 -9.190 -1.218 10.004 1.00 50.00 C ATOM 845 C PRO A 59 -8.615 -2.564 10.452 1.00 50.00 C ATOM 846 O PRO A 59 -8.623 -2.896 11.620 1.00 50.00 O ATOM 847 CB PRO A 59 -8.460 -0.065 10.687 1.00 50.00 C ATOM 848 CG PRO A 59 -9.276 0.244 11.903 1.00 50.00 C ATOM 849 CD PRO A 59 -10.704 -0.117 11.583 1.00 50.00 C ATOM 0 HA PRO A 59 -9.098 -1.195 8.918 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.442 -0.347 10.956 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.388 0.801 10.029 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.918 -0.325 12.761 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -9.195 1.299 12.163 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -11.204 -0.566 12.441 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -11.284 0.761 11.300 1.00 50.00 H new ATOM 857 N VAL A 60 -8.109 -3.337 9.530 1.00 50.00 N ATOM 858 CA VAL A 60 -7.528 -4.659 9.906 1.00 50.00 C ATOM 859 C VAL A 60 -6.190 -4.872 9.194 1.00 50.00 C ATOM 860 O VAL A 60 -5.318 -5.561 9.684 1.00 50.00 O ATOM 861 CB VAL A 60 -8.554 -5.696 9.453 1.00 50.00 C ATOM 862 CG1 VAL A 60 -9.777 -5.635 10.370 1.00 50.00 C ATOM 863 CG2 VAL A 60 -8.983 -5.400 8.015 1.00 50.00 C ATOM 0 H VAL A 60 -8.072 -3.112 8.536 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.331 -4.731 10.976 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.109 -6.690 9.501 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -10.510 -6.374 10.048 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -9.474 -5.847 11.395 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -10.219 -4.640 10.321 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -9.715 -6.141 7.694 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.427 -4.406 7.965 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -8.113 -5.442 7.360 1.00 50.00 H new ATOM 873 N GLY A 61 -6.021 -4.277 8.049 1.00 50.00 N ATOM 874 CA GLY A 61 -4.738 -4.436 7.310 1.00 50.00 C ATOM 875 C GLY A 61 -3.645 -3.654 8.041 1.00 50.00 C ATOM 876 O GLY A 61 -3.918 -2.908 8.960 1.00 50.00 O ATOM 0 H GLY A 61 -6.716 -3.687 7.591 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.468 -5.490 7.245 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -4.844 -4.071 6.288 1.00 50.00 H new ATOM 880 N ARG A 62 -2.412 -3.818 7.652 1.00 50.00 N ATOM 881 CA ARG A 62 -1.317 -3.078 8.347 1.00 50.00 C ATOM 882 C ARG A 62 -0.275 -2.588 7.340 1.00 50.00 C ATOM 883 O ARG A 62 -0.125 -3.138 6.271 1.00 50.00 O ATOM 884 CB ARG A 62 -0.695 -4.101 9.299 1.00 50.00 C ATOM 885 CG ARG A 62 -1.802 -4.919 9.967 1.00 50.00 C ATOM 886 CD ARG A 62 -1.259 -5.573 11.240 1.00 50.00 C ATOM 887 NE ARG A 62 -2.452 -5.765 12.110 1.00 50.00 N ATOM 888 CZ ARG A 62 -2.354 -6.457 13.212 1.00 50.00 C ATOM 889 NH1 ARG A 62 -1.309 -7.211 13.419 1.00 50.00 N ATOM 890 NH2 ARG A 62 -3.300 -6.394 14.109 1.00 50.00 N ATOM 0 H ARG A 62 -2.114 -4.427 6.890 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.687 -2.197 8.871 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.022 -4.760 8.751 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.097 -3.593 10.056 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.648 -4.276 10.209 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.168 -5.683 9.281 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.773 -6.524 11.020 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -0.515 -4.940 11.723 1.00 50.00 H new ATOM 0 HE ARG A 62 -3.347 -5.355 11.844 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -0.568 -7.260 12.719 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -1.233 -7.752 14.281 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -4.116 -5.804 13.949 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -3.223 -6.935 14.970 1.00 50.00 H new ATOM 904 N LEU A 63 0.452 -1.559 7.680 1.00 50.00 N ATOM 905 CA LEU A 63 1.493 -1.042 6.745 1.00 50.00 C ATOM 906 C LEU A 63 2.838 -1.707 7.053 1.00 50.00 C ATOM 907 O LEU A 63 3.391 -1.538 8.120 1.00 50.00 O ATOM 908 CB LEU A 63 1.562 0.462 7.018 1.00 50.00 C ATOM 909 CG LEU A 63 0.300 1.139 6.479 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.628 1.498 7.642 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.688 2.416 5.727 1.00 50.00 C ATOM 0 H LEU A 63 0.371 -1.054 8.563 1.00 50.00 H new ATOM 0 HA LEU A 63 1.259 -1.252 5.701 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.656 0.644 8.089 1.00 50.00 H new ATOM 0 HB3 LEU A 63 2.446 0.888 6.544 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.214 0.457 5.802 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.526 1.980 7.256 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.906 0.591 8.179 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -0.114 2.179 8.321 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.210 2.899 5.343 1.00 50.00 H new ATOM 0 HD22 LEU A 63 1.203 3.096 6.406 1.00 50.00 H new ATOM 0 HD23 LEU A 63 1.348 2.163 4.897 1.00 50.00 H new ATOM 923 N VAL A 64 3.366 -2.469 6.133 1.00 50.00 N ATOM 924 CA VAL A 64 4.673 -3.144 6.391 1.00 50.00 C ATOM 925 C VAL A 64 5.826 -2.150 6.232 1.00 50.00 C ATOM 926 O VAL A 64 6.817 -2.219 6.932 1.00 50.00 O ATOM 927 CB VAL A 64 4.768 -4.256 5.346 1.00 50.00 C ATOM 928 CG1 VAL A 64 4.696 -3.652 3.943 1.00 50.00 C ATOM 929 CG2 VAL A 64 6.099 -4.996 5.512 1.00 50.00 C ATOM 0 H VAL A 64 2.953 -2.653 5.219 1.00 50.00 H new ATOM 0 HA VAL A 64 4.736 -3.539 7.405 1.00 50.00 H new ATOM 0 HB VAL A 64 3.941 -4.952 5.483 1.00 50.00 H new ATOM 0 HG11 VAL A 64 4.764 -4.447 3.201 1.00 50.00 H new ATOM 0 HG12 VAL A 64 3.751 -3.123 3.823 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.522 -2.955 3.804 1.00 50.00 H new ATOM 0 HG21 VAL A 64 6.169 -5.790 4.768 1.00 50.00 H new ATOM 0 HG22 VAL A 64 6.924 -4.296 5.376 1.00 50.00 H new ATOM 0 HG23 VAL A 64 6.152 -5.429 6.511 1.00 50.00 H new ATOM 939 N THR A 65 5.707 -1.222 5.322 1.00 50.00 N ATOM 940 CA THR A 65 6.801 -0.225 5.130 1.00 50.00 C ATOM 941 C THR A 65 6.663 0.901 6.157 1.00 50.00 C ATOM 942 O THR A 65 5.698 0.966 6.892 1.00 50.00 O ATOM 943 CB THR A 65 6.605 0.313 3.710 1.00 50.00 C ATOM 944 OG1 THR A 65 7.769 1.024 3.312 1.00 50.00 O ATOM 945 CG2 THR A 65 5.396 1.250 3.678 1.00 50.00 C ATOM 0 H THR A 65 4.903 -1.110 4.705 1.00 50.00 H new ATOM 0 HA THR A 65 7.791 -0.661 5.263 1.00 50.00 H new ATOM 0 HB THR A 65 6.434 -0.518 3.026 1.00 50.00 H new ATOM 0 HG1 THR A 65 7.647 1.368 2.403 1.00 50.00 H new ATOM 0 HG21 THR A 65 5.258 1.632 2.666 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.504 0.704 3.984 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.563 2.083 4.361 1.00 50.00 H new ATOM 953 N VAL A 66 7.618 1.788 6.215 1.00 50.00 N ATOM 954 CA VAL A 66 7.534 2.907 7.198 1.00 50.00 C ATOM 955 C VAL A 66 6.101 3.444 7.251 1.00 50.00 C ATOM 956 O VAL A 66 5.321 3.244 6.342 1.00 50.00 O ATOM 957 CB VAL A 66 8.487 3.977 6.667 1.00 50.00 C ATOM 958 CG1 VAL A 66 8.539 5.150 7.648 1.00 50.00 C ATOM 959 CG2 VAL A 66 9.887 3.378 6.516 1.00 50.00 C ATOM 0 H VAL A 66 8.451 1.787 5.626 1.00 50.00 H new ATOM 0 HA VAL A 66 7.800 2.594 8.208 1.00 50.00 H new ATOM 0 HB VAL A 66 8.133 4.331 5.699 1.00 50.00 H new ATOM 0 HG11 VAL A 66 9.219 5.912 7.268 1.00 50.00 H new ATOM 0 HG12 VAL A 66 7.542 5.576 7.759 1.00 50.00 H new ATOM 0 HG13 VAL A 66 8.893 4.798 8.617 1.00 50.00 H new ATOM 0 HG21 VAL A 66 10.569 4.139 6.137 1.00 50.00 H new ATOM 0 HG22 VAL A 66 10.239 3.026 7.486 1.00 50.00 H new ATOM 0 HG23 VAL A 66 9.852 2.542 5.817 1.00 50.00 H new ATOM 969 N ASN A 67 5.747 4.123 8.307 1.00 50.00 N ATOM 970 CA ASN A 67 4.363 4.665 8.403 1.00 50.00 C ATOM 971 C ASN A 67 3.984 5.349 7.087 1.00 50.00 C ATOM 972 O ASN A 67 4.843 5.731 6.318 1.00 50.00 O ATOM 973 CB ASN A 67 4.410 5.679 9.544 1.00 50.00 C ATOM 974 CG ASN A 67 4.596 4.943 10.873 1.00 50.00 C ATOM 975 OD1 ASN A 67 5.660 4.428 11.151 1.00 50.00 O ATOM 976 ND2 ASN A 67 3.597 4.871 11.710 1.00 50.00 N ATOM 0 H ASN A 67 6.352 4.325 9.103 1.00 50.00 H new ATOM 0 HA ASN A 67 3.622 3.888 8.587 1.00 50.00 H new ATOM 0 HB2 ASN A 67 5.229 6.381 9.387 1.00 50.00 H new ATOM 0 HB3 ASN A 67 3.489 6.262 9.565 1.00 50.00 H new ATOM 0 HD21 ASN A 67 3.710 4.382 12.598 1.00 50.00 H new ATOM 0 HD22 ASN A 67 2.703 5.304 11.476 1.00 50.00 H new ATOM 983 N PRO A 68 2.704 5.476 6.869 1.00 50.00 N ATOM 984 CA PRO A 68 2.210 6.113 5.626 1.00 50.00 C ATOM 985 C PRO A 68 2.428 7.626 5.676 1.00 50.00 C ATOM 986 O PRO A 68 1.491 8.397 5.695 1.00 50.00 O ATOM 987 CB PRO A 68 0.721 5.780 5.623 1.00 50.00 C ATOM 988 CG PRO A 68 0.370 5.553 7.060 1.00 50.00 C ATOM 989 CD PRO A 68 1.611 5.045 7.746 1.00 50.00 C ATOM 0 HA PRO A 68 2.724 5.762 4.731 1.00 50.00 H new ATOM 0 HB2 PRO A 68 0.135 6.595 5.198 1.00 50.00 H new ATOM 0 HB3 PRO A 68 0.516 4.894 5.022 1.00 50.00 H new ATOM 0 HG2 PRO A 68 0.026 6.478 7.523 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.442 4.831 7.148 1.00 50.00 H new ATOM 0 HD2 PRO A 68 1.714 5.464 8.747 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.591 3.961 7.855 1.00 50.00 H new ATOM 997 N PHE A 69 3.662 8.056 5.685 1.00 50.00 N ATOM 998 CA PHE A 69 3.945 9.519 5.725 1.00 50.00 C ATOM 999 C PHE A 69 4.877 9.905 4.572 1.00 50.00 C ATOM 1000 O PHE A 69 5.976 9.399 4.458 1.00 50.00 O ATOM 1001 CB PHE A 69 4.648 9.759 7.064 1.00 50.00 C ATOM 1002 CG PHE A 69 3.790 9.259 8.203 1.00 50.00 C ATOM 1003 CD1 PHE A 69 2.397 9.242 8.081 1.00 50.00 C ATOM 1004 CD2 PHE A 69 4.393 8.819 9.388 1.00 50.00 C ATOM 1005 CE1 PHE A 69 1.606 8.783 9.140 1.00 50.00 C ATOM 1006 CE2 PHE A 69 3.602 8.360 10.449 1.00 50.00 C ATOM 1007 CZ PHE A 69 2.208 8.342 10.324 1.00 50.00 C ATOM 0 H PHE A 69 4.487 7.456 5.666 1.00 50.00 H new ATOM 0 HA PHE A 69 3.036 10.112 5.627 1.00 50.00 H new ATOM 0 HB2 PHE A 69 5.611 9.248 7.074 1.00 50.00 H new ATOM 0 HB3 PHE A 69 4.850 10.823 7.191 1.00 50.00 H new ATOM 0 HD1 PHE A 69 1.931 9.584 7.168 1.00 50.00 H new ATOM 0 HD2 PHE A 69 5.469 8.834 9.484 1.00 50.00 H new ATOM 0 HE1 PHE A 69 0.530 8.769 9.044 1.00 50.00 H new ATOM 0 HE2 PHE A 69 4.067 8.020 11.363 1.00 50.00 H new ATOM 0 HZ PHE A 69 1.597 7.988 11.141 1.00 50.00 H new ATOM 1017 N VAL A 70 4.458 10.803 3.721 1.00 50.00 N ATOM 1018 CA VAL A 70 5.340 11.214 2.592 1.00 50.00 C ATOM 1019 C VAL A 70 6.263 12.349 3.048 1.00 50.00 C ATOM 1020 O VAL A 70 6.236 13.440 2.514 1.00 50.00 O ATOM 1021 CB VAL A 70 4.403 11.695 1.476 1.00 50.00 C ATOM 1022 CG1 VAL A 70 3.969 10.502 0.621 1.00 50.00 C ATOM 1023 CG2 VAL A 70 3.165 12.366 2.076 1.00 50.00 C ATOM 0 H VAL A 70 3.550 11.266 3.758 1.00 50.00 H new ATOM 0 HA VAL A 70 5.971 10.395 2.247 1.00 50.00 H new ATOM 0 HB VAL A 70 4.935 12.418 0.857 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.304 10.845 -0.171 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.848 10.032 0.179 1.00 50.00 H new ATOM 0 HG13 VAL A 70 3.446 9.778 1.246 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.509 12.703 1.273 1.00 50.00 H new ATOM 0 HG22 VAL A 70 2.633 11.652 2.705 1.00 50.00 H new ATOM 0 HG23 VAL A 70 3.471 13.222 2.678 1.00 50.00 H new ATOM 1033 N ALA A 71 7.080 12.094 4.035 1.00 50.00 N ATOM 1034 CA ALA A 71 8.007 13.151 4.533 1.00 50.00 C ATOM 1035 C ALA A 71 9.119 13.400 3.513 1.00 50.00 C ATOM 1036 O ALA A 71 10.288 13.243 3.803 1.00 50.00 O ATOM 1037 CB ALA A 71 8.586 12.589 5.832 1.00 50.00 C ATOM 0 H ALA A 71 7.145 11.198 4.518 1.00 50.00 H new ATOM 0 HA ALA A 71 7.502 14.104 4.691 1.00 50.00 H new ATOM 0 HB1 ALA A 71 9.281 13.310 6.263 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.778 12.398 6.538 1.00 50.00 H new ATOM 0 HB3 ALA A 71 9.113 11.658 5.623 1.00 50.00 H new ATOM 1043 N THR A 72 8.764 13.785 2.318 1.00 50.00 N ATOM 1044 CA THR A 72 9.803 14.039 1.279 1.00 50.00 C ATOM 1045 C THR A 72 9.406 15.235 0.410 1.00 50.00 C ATOM 1046 O THR A 72 8.248 15.589 0.316 1.00 50.00 O ATOM 1047 CB THR A 72 9.842 12.762 0.440 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.478 11.653 1.251 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.252 12.552 -0.111 1.00 50.00 C ATOM 0 H THR A 72 7.801 13.935 2.016 1.00 50.00 H new ATOM 0 HA THR A 72 10.773 14.273 1.717 1.00 50.00 H new ATOM 0 HB THR A 72 9.141 12.852 -0.390 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.501 10.834 0.714 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.277 11.641 -0.709 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.530 13.402 -0.734 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.956 12.463 0.716 1.00 50.00 H new ATOM 1057 N SER A 73 10.359 15.851 -0.234 1.00 50.00 N ATOM 1058 CA SER A 73 10.036 17.014 -1.108 1.00 50.00 C ATOM 1059 C SER A 73 9.647 16.519 -2.502 1.00 50.00 C ATOM 1060 O SER A 73 9.159 17.267 -3.326 1.00 50.00 O ATOM 1061 CB SER A 73 11.322 17.837 -1.169 1.00 50.00 C ATOM 1062 OG SER A 73 11.483 18.546 0.052 1.00 50.00 O ATOM 0 H SER A 73 11.347 15.600 -0.193 1.00 50.00 H new ATOM 0 HA SER A 73 9.200 17.602 -0.729 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.178 17.184 -1.339 1.00 50.00 H new ATOM 0 HB3 SER A 73 11.282 18.535 -2.006 1.00 50.00 H new ATOM 0 HG SER A 73 12.308 19.074 0.017 1.00 50.00 H new ATOM 1068 N SER A 74 9.859 15.259 -2.769 1.00 99.99 N ATOM 1069 CA SER A 74 9.504 14.706 -4.107 1.00 99.99 C ATOM 1070 C SER A 74 8.402 13.652 -3.966 1.00 99.99 C ATOM 1071 O SER A 74 8.137 12.892 -4.876 1.00 99.99 O ATOM 1072 CB SER A 74 10.792 14.069 -4.627 1.00 99.99 C ATOM 1073 OG SER A 74 11.096 14.606 -5.908 1.00 99.99 O ATOM 0 H SER A 74 10.264 14.587 -2.117 1.00 99.99 H new ATOM 0 HA SER A 74 9.127 15.472 -4.785 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.612 14.261 -3.935 1.00 99.99 H new ATOM 0 HB3 SER A 74 10.676 12.987 -4.691 1.00 99.99 H new ATOM 0 HG SER A 74 11.923 14.201 -6.245 1.00 99.99 H new ATOM 1079 N ALA A 75 7.754 13.605 -2.832 1.00 99.99 N ATOM 1080 CA ALA A 75 6.666 12.604 -2.639 1.00 99.99 C ATOM 1081 C ALA A 75 5.379 13.099 -3.297 1.00 99.99 C ATOM 1082 O ALA A 75 4.316 12.542 -3.102 1.00 99.99 O ATOM 1083 CB ALA A 75 6.484 12.495 -1.127 1.00 99.99 C ATOM 0 H ALA A 75 7.931 14.215 -2.034 1.00 99.99 H new ATOM 0 HA ALA A 75 6.908 11.640 -3.088 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.697 11.774 -0.906 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.417 12.164 -0.671 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.208 13.469 -0.723 1.00 99.99 H new ATOM 1089 N ASN A 76 5.465 14.139 -4.078 1.00 99.99 N ATOM 1090 CA ASN A 76 4.255 14.667 -4.751 1.00 99.99 C ATOM 1091 C ASN A 76 4.030 13.911 -6.058 1.00 99.99 C ATOM 1092 O ASN A 76 3.289 14.341 -6.918 1.00 99.99 O ATOM 1093 CB ASN A 76 4.558 16.140 -5.023 1.00 99.99 C ATOM 1094 CG ASN A 76 4.197 16.971 -3.791 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.685 18.066 -3.911 1.00 99.99 O ATOM 1096 ND2 ASN A 76 4.445 16.493 -2.602 1.00 99.99 N ATOM 0 H ASN A 76 6.327 14.646 -4.278 1.00 99.99 H new ATOM 0 HA ASN A 76 3.354 14.550 -4.149 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.614 16.267 -5.264 1.00 99.99 H new ATOM 0 HB3 ASN A 76 3.990 16.486 -5.887 1.00 99.99 H new ATOM 0 HD21 ASN A 76 4.209 17.039 -1.773 1.00 99.99 H new ATOM 0 HD22 ASN A 76 4.875 15.574 -2.501 1.00 99.99 H new ATOM 1103 N SER A 77 4.669 12.783 -6.210 1.00 99.99 N ATOM 1104 CA SER A 77 4.495 11.997 -7.456 1.00 99.99 C ATOM 1105 C SER A 77 3.981 10.605 -7.106 1.00 99.99 C ATOM 1106 O SER A 77 3.657 10.324 -5.967 1.00 99.99 O ATOM 1107 CB SER A 77 5.889 11.919 -8.076 1.00 99.99 C ATOM 1108 OG SER A 77 6.696 11.038 -7.306 1.00 99.99 O ATOM 0 H SER A 77 5.303 12.375 -5.523 1.00 99.99 H new ATOM 0 HA SER A 77 3.778 12.447 -8.143 1.00 99.99 H new ATOM 0 HB2 SER A 77 5.823 11.565 -9.105 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.341 12.910 -8.109 1.00 99.99 H new ATOM 0 HG SER A 77 7.591 10.984 -7.702 1.00 99.99 H new ATOM 1114 N LYS A 78 3.906 9.726 -8.065 1.00 99.99 N ATOM 1115 CA LYS A 78 3.420 8.354 -7.761 1.00 99.99 C ATOM 1116 C LYS A 78 4.388 7.686 -6.785 1.00 99.99 C ATOM 1117 O LYS A 78 5.327 7.023 -7.179 1.00 99.99 O ATOM 1118 CB LYS A 78 3.418 7.624 -9.105 1.00 99.99 C ATOM 1119 CG LYS A 78 2.188 8.042 -9.913 1.00 99.99 C ATOM 1120 CD LYS A 78 2.632 8.708 -11.217 1.00 99.99 C ATOM 1121 CE LYS A 78 2.198 7.845 -12.405 1.00 99.99 C ATOM 1122 NZ LYS A 78 2.314 8.738 -13.592 1.00 99.99 N ATOM 0 H LYS A 78 4.158 9.897 -9.038 1.00 99.99 H new ATOM 0 HA LYS A 78 2.431 8.345 -7.303 1.00 99.99 H new ATOM 0 HB2 LYS A 78 4.327 7.859 -9.659 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.412 6.546 -8.945 1.00 99.99 H new ATOM 0 HG2 LYS A 78 1.570 7.171 -10.130 1.00 99.99 H new ATOM 0 HG3 LYS A 78 1.575 8.731 -9.331 1.00 99.99 H new ATOM 0 HD2 LYS A 78 2.194 9.703 -11.297 1.00 99.99 H new ATOM 0 HD3 LYS A 78 3.715 8.835 -11.223 1.00 99.99 H new ATOM 0 HE2 LYS A 78 2.835 6.966 -12.508 1.00 99.99 H new ATOM 0 HE3 LYS A 78 1.177 7.486 -12.280 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 2.033 8.217 -14.447 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 1.692 9.562 -13.469 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 3.298 9.059 -13.690 1.00 99.99 H new ATOM 1136 N VAL A 79 4.169 7.862 -5.511 1.00 99.99 N ATOM 1137 CA VAL A 79 5.074 7.248 -4.509 1.00 99.99 C ATOM 1138 C VAL A 79 4.771 5.750 -4.392 1.00 99.99 C ATOM 1139 O VAL A 79 3.855 5.247 -5.013 1.00 99.99 O ATOM 1140 CB VAL A 79 4.746 7.965 -3.202 1.00 99.99 C ATOM 1141 CG1 VAL A 79 5.148 9.437 -3.311 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.244 7.866 -2.931 1.00 99.99 C ATOM 0 H VAL A 79 3.399 8.407 -5.123 1.00 99.99 H new ATOM 0 HA VAL A 79 6.127 7.344 -4.774 1.00 99.99 H new ATOM 0 HB VAL A 79 5.296 7.499 -2.384 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.913 9.948 -2.377 1.00 99.99 H new ATOM 0 HG12 VAL A 79 6.218 9.508 -3.505 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.599 9.904 -4.128 1.00 99.99 H new ATOM 0 HG21 VAL A 79 3.008 8.378 -1.998 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.695 8.332 -3.749 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.957 6.817 -2.853 1.00 99.99 H new ATOM 1152 N LEU A 80 5.527 5.029 -3.609 1.00 50.00 N ATOM 1153 CA LEU A 80 5.264 3.566 -3.474 1.00 50.00 C ATOM 1154 C LEU A 80 5.115 3.175 -2.001 1.00 50.00 C ATOM 1155 O LEU A 80 5.961 3.467 -1.180 1.00 50.00 O ATOM 1156 CB LEU A 80 6.487 2.885 -4.086 1.00 50.00 C ATOM 1157 CG LEU A 80 6.031 1.717 -4.960 1.00 50.00 C ATOM 1158 CD1 LEU A 80 7.120 1.388 -5.982 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.772 0.494 -4.077 1.00 50.00 C ATOM 0 H LEU A 80 6.310 5.385 -3.061 1.00 50.00 H new ATOM 0 HA LEU A 80 4.339 3.272 -3.970 1.00 50.00 H new ATOM 0 HB2 LEU A 80 7.055 3.599 -4.682 1.00 50.00 H new ATOM 0 HB3 LEU A 80 7.150 2.527 -3.299 1.00 50.00 H new ATOM 0 HG LEU A 80 5.115 1.989 -5.483 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.795 0.555 -6.605 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.305 2.260 -6.609 1.00 50.00 H new ATOM 0 HD13 LEU A 80 8.037 1.114 -5.461 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.447 -0.341 -4.698 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.689 0.222 -3.555 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.996 0.729 -3.349 1.00 50.00 H new ATOM 1171 N VAL A 81 4.041 2.514 -1.661 1.00 50.00 N ATOM 1172 CA VAL A 81 3.831 2.100 -0.245 1.00 50.00 C ATOM 1173 C VAL A 81 3.759 0.572 -0.144 1.00 50.00 C ATOM 1174 O VAL A 81 3.680 -0.123 -1.136 1.00 50.00 O ATOM 1175 CB VAL A 81 2.494 2.724 0.155 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.459 2.924 1.670 1.00 50.00 C ATOM 1177 CG2 VAL A 81 2.330 4.078 -0.541 1.00 50.00 C ATOM 0 H VAL A 81 3.298 2.243 -2.305 1.00 50.00 H new ATOM 0 HA VAL A 81 4.645 2.424 0.404 1.00 50.00 H new ATOM 0 HB VAL A 81 1.682 2.062 -0.145 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.506 3.369 1.956 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.574 1.961 2.167 1.00 50.00 H new ATOM 0 HG13 VAL A 81 3.272 3.585 1.969 1.00 50.00 H new ATOM 0 HG21 VAL A 81 1.376 4.521 -0.255 1.00 50.00 H new ATOM 0 HG22 VAL A 81 3.142 4.741 -0.243 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.355 3.937 -1.622 1.00 50.00 H new ATOM 1187 N GLU A 82 3.784 0.047 1.052 1.00 50.00 N ATOM 1188 CA GLU A 82 3.715 -1.434 1.223 1.00 50.00 C ATOM 1189 C GLU A 82 2.786 -1.786 2.391 1.00 50.00 C ATOM 1190 O GLU A 82 2.840 -1.177 3.442 1.00 50.00 O ATOM 1191 CB GLU A 82 5.151 -1.863 1.528 1.00 50.00 C ATOM 1192 CG GLU A 82 5.399 -3.263 0.960 1.00 50.00 C ATOM 1193 CD GLU A 82 6.804 -3.328 0.360 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.220 -2.346 -0.231 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.440 -4.359 0.502 1.00 50.00 O ATOM 0 H GLU A 82 3.849 0.580 1.919 1.00 50.00 H new ATOM 0 HA GLU A 82 3.320 -1.937 0.340 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.854 -1.153 1.092 1.00 50.00 H new ATOM 0 HB3 GLU A 82 5.321 -1.861 2.605 1.00 50.00 H new ATOM 0 HG2 GLU A 82 5.293 -4.010 1.746 1.00 50.00 H new ATOM 0 HG3 GLU A 82 4.655 -3.495 0.198 1.00 50.00 H new ATOM 1202 N MET A 83 1.933 -2.759 2.218 1.00 50.00 N ATOM 1203 CA MET A 83 1.004 -3.135 3.322 1.00 50.00 C ATOM 1204 C MET A 83 0.894 -4.658 3.436 1.00 50.00 C ATOM 1205 O MET A 83 1.009 -5.371 2.461 1.00 50.00 O ATOM 1206 CB MET A 83 -0.342 -2.531 2.923 1.00 50.00 C ATOM 1207 CG MET A 83 -0.676 -1.363 3.852 1.00 50.00 C ATOM 1208 SD MET A 83 0.321 0.077 3.393 1.00 50.00 S ATOM 1209 CE MET A 83 -0.680 0.606 1.982 1.00 50.00 C ATOM 0 H MET A 83 1.839 -3.308 1.363 1.00 50.00 H new ATOM 0 HA MET A 83 1.348 -2.772 4.290 1.00 50.00 H new ATOM 0 HB2 MET A 83 -0.306 -2.188 1.889 1.00 50.00 H new ATOM 0 HB3 MET A 83 -1.123 -3.289 2.980 1.00 50.00 H new ATOM 0 HG2 MET A 83 -1.737 -1.121 3.783 1.00 50.00 H new ATOM 0 HG3 MET A 83 -0.479 -1.640 4.888 1.00 50.00 H new ATOM 0 HE1 MET A 83 -0.040 0.731 1.108 1.00 50.00 H new ATOM 0 HE2 MET A 83 -1.439 -0.148 1.771 1.00 50.00 H new ATOM 0 HE3 MET A 83 -1.165 1.554 2.215 1.00 50.00 H new ATOM 1219 N GLU A 84 0.669 -5.163 4.618 1.00 50.00 N ATOM 1220 CA GLU A 84 0.551 -6.629 4.796 1.00 50.00 C ATOM 1221 C GLU A 84 -0.863 -6.998 5.251 1.00 50.00 C ATOM 1222 O GLU A 84 -1.058 -7.468 6.354 1.00 50.00 O ATOM 1223 CB GLU A 84 1.578 -6.992 5.873 1.00 50.00 C ATOM 1224 CG GLU A 84 1.776 -5.814 6.832 1.00 50.00 C ATOM 1225 CD GLU A 84 2.611 -6.266 8.032 1.00 50.00 C ATOM 1226 OE1 GLU A 84 3.060 -7.399 8.022 1.00 50.00 O ATOM 1227 OE2 GLU A 84 2.787 -5.469 8.939 1.00 50.00 O ATOM 0 H GLU A 84 0.562 -4.615 5.471 1.00 50.00 H new ATOM 0 HA GLU A 84 0.734 -7.169 3.867 1.00 50.00 H new ATOM 0 HB2 GLU A 84 1.241 -7.869 6.426 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.528 -7.255 5.407 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.275 -4.993 6.317 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.809 -5.439 7.169 1.00 50.00 H new ATOM 1234 N PRO A 85 -1.805 -6.773 4.376 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.222 -7.088 4.682 1.00 50.00 C ATOM 1236 C PRO A 85 -3.449 -8.602 4.661 1.00 50.00 C ATOM 1237 O PRO A 85 -2.635 -9.345 4.151 1.00 50.00 O ATOM 1238 CB PRO A 85 -3.990 -6.411 3.551 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.014 -6.320 2.422 1.00 50.00 C ATOM 1240 CD PRO A 85 -1.641 -6.209 3.032 1.00 50.00 C ATOM 0 HA PRO A 85 -3.534 -6.746 5.669 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -4.868 -6.991 3.268 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.342 -5.423 3.849 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.081 -7.200 1.783 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.229 -5.454 1.796 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -0.901 -6.763 2.454 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.304 -5.173 3.072 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.560 -9.005 5.215 1.00 50.00 N ATOM 1249 CA PRO A 86 -4.911 -10.447 5.260 1.00 50.00 C ATOM 1250 C PRO A 86 -5.267 -10.954 3.859 1.00 50.00 C ATOM 1251 O PRO A 86 -5.721 -10.208 3.015 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.126 -10.490 6.183 1.00 50.00 C ATOM 1253 CG PRO A 86 -6.723 -9.122 6.094 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.584 -8.168 5.846 1.00 50.00 C ATOM 0 HA PRO A 86 -4.094 -11.078 5.611 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -6.837 -11.253 5.866 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -5.837 -10.729 7.206 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.454 -9.070 5.287 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.247 -8.868 7.015 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -5.885 -7.346 5.197 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.223 -7.726 6.774 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.060 -12.217 3.607 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.383 -12.774 2.259 1.00 50.00 C ATOM 1264 C PHE A 87 -6.826 -12.431 1.875 1.00 50.00 C ATOM 1265 O PHE A 87 -7.714 -12.429 2.704 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.214 -14.291 2.394 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.147 -14.598 3.416 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -2.901 -13.965 3.337 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.409 -15.504 4.449 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -1.916 -14.241 4.290 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.425 -15.779 5.403 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.177 -15.148 5.325 1.00 50.00 C ATOM 0 H PHE A 87 -4.681 -12.889 4.275 1.00 50.00 H new ATOM 0 HA PHE A 87 -4.738 -12.362 1.483 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.158 -14.746 2.693 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -4.943 -14.723 1.431 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -2.701 -13.264 2.540 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.371 -15.991 4.509 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -0.954 -13.755 4.228 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.627 -16.478 6.201 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.417 -15.361 6.062 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.063 -12.143 0.625 1.00 50.00 N ATOM 1283 CA GLY A 88 -8.446 -11.801 0.189 1.00 50.00 C ATOM 1284 C GLY A 88 -8.492 -10.338 -0.246 1.00 50.00 C ATOM 1285 O GLY A 88 -7.624 -9.555 0.088 1.00 50.00 O ATOM 0 H GLY A 88 -6.359 -12.130 -0.113 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -8.750 -12.447 -0.635 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.149 -11.972 1.004 1.00 50.00 H new ATOM 1289 N ASP A 89 -9.495 -9.958 -0.987 1.00 50.00 N ATOM 1290 CA ASP A 89 -9.586 -8.541 -1.437 1.00 50.00 C ATOM 1291 C ASP A 89 -9.474 -7.606 -0.230 1.00 50.00 C ATOM 1292 O ASP A 89 -9.631 -8.020 0.901 1.00 50.00 O ATOM 1293 CB ASP A 89 -10.962 -8.420 -2.091 1.00 50.00 C ATOM 1294 CG ASP A 89 -11.037 -9.359 -3.297 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -10.029 -9.518 -3.964 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -12.103 -9.903 -3.533 1.00 50.00 O ATOM 0 H ASP A 89 -10.253 -10.565 -1.300 1.00 50.00 H new ATOM 0 HA ASP A 89 -8.788 -8.269 -2.127 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -11.742 -8.671 -1.372 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -11.138 -7.391 -2.406 1.00 50.00 H new ATOM 1301 N SER A 90 -9.197 -6.351 -0.456 1.00 50.00 N ATOM 1302 CA SER A 90 -9.070 -5.407 0.692 1.00 50.00 C ATOM 1303 C SER A 90 -9.655 -4.038 0.338 1.00 50.00 C ATOM 1304 O SER A 90 -9.419 -3.506 -0.729 1.00 50.00 O ATOM 1305 CB SER A 90 -7.567 -5.295 0.949 1.00 50.00 C ATOM 1306 OG SER A 90 -6.867 -6.123 0.029 1.00 50.00 O ATOM 0 H SER A 90 -9.054 -5.940 -1.378 1.00 50.00 H new ATOM 0 HA SER A 90 -9.613 -5.760 1.569 1.00 50.00 H new ATOM 0 HB2 SER A 90 -7.245 -4.259 0.841 1.00 50.00 H new ATOM 0 HB3 SER A 90 -7.339 -5.595 1.972 1.00 50.00 H new ATOM 0 HG SER A 90 -5.903 -6.051 0.192 1.00 50.00 H new ATOM 1312 N TYR A 91 -10.410 -3.457 1.233 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.002 -2.117 0.955 1.00 50.00 C ATOM 1314 C TYR A 91 -10.120 -1.023 1.563 1.00 50.00 C ATOM 1315 O TYR A 91 -10.068 -0.855 2.764 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.371 -2.139 1.635 1.00 50.00 C ATOM 1317 CG TYR A 91 -13.378 -2.808 0.730 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -12.943 -3.608 -0.333 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -14.748 -2.630 0.957 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -13.877 -4.228 -1.171 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -15.682 -3.251 0.119 1.00 50.00 C ATOM 1322 CZ TYR A 91 -15.247 -4.050 -0.944 1.00 50.00 C ATOM 1323 OH TYR A 91 -16.168 -4.662 -1.770 1.00 49.57 O ATOM 0 H TYR A 91 -10.642 -3.853 2.144 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.082 -1.911 -0.112 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.308 -2.673 2.583 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.691 -1.122 1.863 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -11.886 -3.747 -0.507 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.084 -2.014 1.778 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -13.541 -4.843 -1.992 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.739 -3.113 0.293 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.074 -4.436 -1.473 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.427 -0.280 0.746 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.553 0.801 1.290 1.00 50.00 C ATOM 1335 C ILE A 92 -9.344 2.107 1.387 1.00 50.00 C ATOM 1336 O ILE A 92 -10.101 2.446 0.504 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.409 0.935 0.286 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.503 -0.295 0.380 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.598 2.192 0.603 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -6.959 -1.345 -0.633 1.00 50.00 C ATOM 0 H ILE A 92 -9.426 -0.372 -0.270 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.184 0.574 2.290 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.816 1.010 -0.722 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -5.468 -0.013 0.186 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.537 -0.708 1.388 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.782 2.288 -0.113 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -7.244 3.068 0.537 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.190 2.117 1.611 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -6.313 -2.220 -0.565 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -7.987 -1.635 -0.418 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -6.902 -0.929 -1.639 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.189 2.841 2.455 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.958 4.114 2.586 1.00 50.00 C ATOM 1354 C VAL A 93 -9.031 5.302 2.853 1.00 50.00 C ATOM 1355 O VAL A 93 -8.499 5.456 3.934 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.883 3.891 3.781 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.857 5.065 3.895 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.670 2.594 3.582 1.00 50.00 C ATOM 0 H VAL A 93 -8.571 2.619 3.235 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.501 4.348 1.670 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.290 3.819 4.692 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.518 4.908 4.747 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.297 5.990 4.036 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.451 5.135 2.983 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.330 2.435 4.435 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.264 2.665 2.671 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -10.977 1.757 3.498 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.858 6.162 1.886 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.995 7.357 2.100 1.00 50.00 C ATOM 1370 C VAL A 94 -8.833 8.465 2.739 1.00 50.00 C ATOM 1371 O VAL A 94 -9.684 9.056 2.103 1.00 50.00 O ATOM 1372 CB VAL A 94 -7.524 7.769 0.705 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -6.616 8.996 0.816 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.746 6.616 0.069 1.00 50.00 C ATOM 0 H VAL A 94 -9.277 6.088 0.959 1.00 50.00 H new ATOM 0 HA VAL A 94 -7.149 7.159 2.759 1.00 50.00 H new ATOM 0 HB VAL A 94 -8.388 8.010 0.086 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -6.279 9.291 -0.178 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -7.169 9.818 1.270 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -5.752 8.754 1.435 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -6.410 6.909 -0.926 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.882 6.375 0.688 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -7.391 5.741 -0.009 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.620 8.739 3.996 1.00 50.00 N ATOM 1385 CA GLY A 95 -9.428 9.794 4.671 1.00 50.00 C ATOM 1386 C GLY A 95 -8.742 11.151 4.538 1.00 50.00 C ATOM 1387 O GLY A 95 -7.612 11.252 4.101 1.00 50.00 O ATOM 0 H GLY A 95 -7.924 8.280 4.584 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -10.424 9.837 4.230 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.557 9.545 5.724 1.00 50.00 H new ATOM 1391 N MET A 96 -9.425 12.200 4.908 1.00 50.00 N ATOM 1392 CA MET A 96 -8.829 13.562 4.806 1.00 50.00 C ATOM 1393 C MET A 96 -9.467 14.496 5.838 1.00 50.00 C ATOM 1394 O MET A 96 -9.322 15.701 5.774 1.00 50.00 O ATOM 1395 CB MET A 96 -9.157 14.027 3.387 1.00 50.00 C ATOM 1396 CG MET A 96 -10.617 13.705 3.066 1.00 50.00 C ATOM 1397 SD MET A 96 -10.692 12.266 1.973 1.00 50.00 S ATOM 1398 CE MET A 96 -9.822 13.001 0.566 1.00 50.00 C ATOM 0 H MET A 96 -10.375 12.172 5.278 1.00 50.00 H new ATOM 0 HA MET A 96 -7.756 13.562 4.999 1.00 50.00 H new ATOM 0 HB2 MET A 96 -8.982 15.099 3.295 1.00 50.00 H new ATOM 0 HB3 MET A 96 -8.499 13.534 2.671 1.00 50.00 H new ATOM 0 HG2 MET A 96 -11.167 13.505 3.986 1.00 50.00 H new ATOM 0 HG3 MET A 96 -11.093 14.562 2.590 1.00 50.00 H new ATOM 0 HE1 MET A 96 -10.186 12.556 -0.360 1.00 50.00 H new ATOM 0 HE2 MET A 96 -10.003 14.076 0.548 1.00 50.00 H new ATOM 0 HE3 MET A 96 -8.752 12.814 0.662 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.174 13.949 6.789 1.00 50.00 N ATOM 1409 CA GLY A 97 -10.825 14.800 7.825 1.00 50.00 C ATOM 1410 C GLY A 97 -12.250 14.300 8.065 1.00 50.00 C ATOM 1411 O GLY A 97 -12.496 13.498 8.943 1.00 50.00 O ATOM 0 H GLY A 97 -10.329 12.946 6.893 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -10.254 14.765 8.753 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.842 15.840 7.500 1.00 50.00 H new ATOM 1415 N ASP A 98 -13.191 14.762 7.287 1.00 50.00 N ATOM 1416 CA ASP A 98 -14.599 14.306 7.468 1.00 50.00 C ATOM 1417 C ASP A 98 -14.932 13.219 6.444 1.00 50.00 C ATOM 1418 O ASP A 98 -15.119 12.068 6.784 1.00 50.00 O ATOM 1419 CB ASP A 98 -15.455 15.550 7.231 1.00 50.00 C ATOM 1420 CG ASP A 98 -15.220 16.555 8.360 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -14.078 16.936 8.558 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -16.186 16.926 9.006 1.00 50.00 O ATOM 0 H ASP A 98 -13.046 15.435 6.534 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.773 13.879 8.456 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -15.203 16.000 6.271 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -16.509 15.276 7.187 1.00 50.00 H new ATOM 1427 N LYS A 99 -15.008 13.575 5.189 1.00 50.00 N ATOM 1428 CA LYS A 99 -15.327 12.565 4.146 1.00 50.00 C ATOM 1429 C LYS A 99 -14.073 11.759 3.795 1.00 50.00 C ATOM 1430 O LYS A 99 -12.963 12.240 3.909 1.00 50.00 O ATOM 1431 CB LYS A 99 -15.804 13.376 2.940 1.00 50.00 C ATOM 1432 CG LYS A 99 -17.293 13.113 2.706 1.00 50.00 C ATOM 1433 CD LYS A 99 -17.482 12.377 1.378 1.00 50.00 C ATOM 1434 CE LYS A 99 -18.682 12.965 0.631 1.00 50.00 C ATOM 1435 NZ LYS A 99 -19.672 11.855 0.557 1.00 50.00 N ATOM 0 H LYS A 99 -14.862 14.524 4.844 1.00 50.00 H new ATOM 0 HA LYS A 99 -16.081 11.851 4.476 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -15.634 14.439 3.113 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -15.232 13.101 2.054 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -17.701 12.519 3.524 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -17.841 14.055 2.692 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -16.582 12.467 0.769 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -17.639 11.314 1.559 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -19.093 13.825 1.159 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -18.398 13.308 -0.364 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -20.524 12.182 0.058 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -19.256 11.052 0.043 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -19.929 11.554 1.519 1.00 50.00 H new ATOM 1449 N GLN A 100 -14.237 10.535 3.372 1.00 0.00 N ATOM 1450 CA GLN A 100 -13.049 9.705 3.021 1.00 0.00 C ATOM 1451 C GLN A 100 -13.331 8.876 1.765 1.00 0.00 C ATOM 1452 O GLN A 100 -14.450 8.478 1.508 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.815 8.791 4.232 1.00 0.00 C ATOM 1454 CG GLN A 100 -14.079 8.719 5.095 1.00 0.00 C ATOM 1455 CD GLN A 100 -15.221 8.103 4.286 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -16.371 8.450 4.474 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.951 7.202 3.385 1.00 0.00 N ATOM 0 H GLN A 100 -15.140 10.075 3.254 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.174 10.318 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.539 7.792 3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.982 9.168 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.889 8.122 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.357 9.717 5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.986 6.911 3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.704 6.787 2.837 1.00 0.00 H new ATOM 1466 N ILE A 101 -12.323 8.610 0.980 1.00 0.00 N ATOM 1467 CA ILE A 101 -12.532 7.801 -0.255 1.00 0.00 C ATOM 1468 C ILE A 101 -12.319 6.319 0.059 1.00 0.00 C ATOM 1469 O ILE A 101 -11.510 5.967 0.894 1.00 0.00 O ATOM 1470 CB ILE A 101 -11.475 8.300 -1.242 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -11.455 9.830 -1.237 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -11.812 7.800 -2.649 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -10.485 10.331 -2.309 1.00 0.00 C ATOM 0 H ILE A 101 -11.364 8.918 1.140 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.539 7.905 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.496 7.922 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -12.456 10.218 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -11.152 10.197 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -11.059 8.156 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.827 6.710 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -12.791 8.178 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.470 11.421 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.484 9.954 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.809 9.975 -3.287 1.00 0.00 H new ATOM 1485 N ASN A 102 -13.038 5.448 -0.591 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.867 3.996 -0.306 1.00 0.00 C ATOM 1487 C ASN A 102 -12.744 3.197 -1.605 1.00 0.00 C ATOM 1488 O ASN A 102 -13.527 3.350 -2.523 1.00 0.00 O ATOM 1489 CB ASN A 102 -14.130 3.589 0.453 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.295 3.450 -0.529 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.689 4.409 -1.163 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.866 2.286 -0.683 1.00 0.00 N ATOM 0 H ASN A 102 -13.732 5.676 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.961 3.800 0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.966 2.646 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.367 4.335 1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.643 2.181 -1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.535 1.481 -0.151 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.768 2.335 -1.681 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.584 1.508 -2.906 1.00 0.00 C ATOM 1501 C HIS A 103 -11.720 0.027 -2.548 1.00 0.00 C ATOM 1502 O HIS A 103 -11.465 -0.376 -1.429 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.167 1.819 -3.386 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.227 2.839 -4.488 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -11.340 3.637 -4.694 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.320 3.203 -5.453 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -11.078 4.435 -5.744 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -9.859 4.212 -6.245 1.00 0.00 N ATOM 0 H HIS A 103 -11.086 2.167 -0.942 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.325 1.725 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.565 2.196 -2.559 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.684 0.909 -3.743 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.202 3.622 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.338 2.772 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.769 5.167 -6.135 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.123 -0.786 -3.483 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.281 -2.239 -3.186 1.00 0.00 C ATOM 1518 C HIS A 104 -11.306 -3.067 -4.023 1.00 0.00 C ATOM 1519 O HIS A 104 -11.656 -3.593 -5.062 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.725 -2.565 -3.565 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.043 -1.959 -4.904 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -14.464 -0.645 -5.041 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.008 -2.475 -6.176 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -14.662 -0.417 -6.352 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -14.398 -1.499 -7.089 1.00 0.00 N ATOM 0 H HIS A 104 -12.350 -0.510 -4.438 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.070 -2.469 -2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.868 -3.645 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -14.407 -2.178 -2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.721 -3.485 -6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -14.994 0.527 -6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -14.467 -1.591 -8.103 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.085 -3.193 -3.579 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.093 -3.994 -4.348 1.00 0.00 C ATOM 1535 C TRP A 105 -9.598 -5.430 -4.515 1.00 0.00 C ATOM 1536 O TRP A 105 -9.396 -6.271 -3.661 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.820 -3.967 -3.502 1.00 0.00 C ATOM 1538 CG TRP A 105 -6.889 -5.040 -3.970 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -6.245 -5.915 -3.165 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -6.488 -5.366 -5.333 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -5.473 -6.757 -3.946 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -5.590 -6.458 -5.289 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -6.814 -4.824 -6.589 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -5.035 -6.995 -6.452 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -6.256 -5.362 -7.761 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -5.369 -6.445 -7.692 1.00 0.00 C ATOM 0 H TRP A 105 -9.733 -2.776 -2.717 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.923 -3.596 -5.348 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.338 -2.992 -3.581 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -8.066 -4.117 -2.451 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.321 -5.951 -2.088 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -4.889 -7.507 -3.575 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -7.497 -3.990 -6.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.352 -7.830 -6.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -6.512 -4.938 -8.721 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.944 -6.854 -8.597 1.00 0.00 H new