USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 46 SER OG : rot 180:sc= 0.0147 USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -0.636 F(o=-1.3,f=-0.62) USER MOD Set 2.1: A 35 ASN : amide:sc= 0.355 K(o=0.78,f=-4.9!) USER MOD Set 2.2: A 42 GLN : amide:sc= 0.421 K(o=0.78,f=-0.16) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -4! C(o=-4.6!,f=-4!) USER MOD Single : A 22 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.9!) USER MOD Single : A 33 SER OG : rot 180:sc=0.000139 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 52 THR OG1 : rot -47:sc= -0.134 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 61 SER OG : rot 180:sc= -0.232 USER MOD Single : A 66 SER OG : rot 140:sc= 0.589 USER MOD Single : A 69 TYR OH : rot -59:sc= 1.07 USER MOD Single : A 73 THR OG1 : rot 25:sc= 0.275! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 82 THR OG1 : rot 95:sc= 1.38 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.238 4.440 2.091 1.00 0.00 N ATOM 98 CA VAL A 10 11.429 3.248 1.864 1.00 0.00 C ATOM 99 C VAL A 10 11.277 2.435 3.144 1.00 0.00 C ATOM 100 O VAL A 10 12.116 1.590 3.457 1.00 0.00 O ATOM 101 CB VAL A 10 12.043 2.354 0.770 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.324 1.014 0.710 1.00 0.00 C ATOM 103 CG2 VAL A 10 11.995 3.054 -0.579 1.00 0.00 C ATOM 0 HA VAL A 10 10.447 3.589 1.536 1.00 0.00 H new ATOM 0 HB VAL A 10 13.088 2.169 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.771 0.396 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.415 0.509 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.270 1.176 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.433 2.408 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.959 3.271 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.559 3.985 -0.526 1.00 0.00 H new ATOM 113 N GLU A 11 10.202 2.696 3.881 1.00 0.00 N ATOM 114 CA GLU A 11 9.940 1.987 5.128 1.00 0.00 C ATOM 115 C GLU A 11 9.813 0.486 4.885 1.00 0.00 C ATOM 116 O GLU A 11 8.895 0.033 4.201 1.00 0.00 O ATOM 117 CB GLU A 11 8.665 2.519 5.785 1.00 0.00 C ATOM 118 CG GLU A 11 8.671 2.412 7.300 1.00 0.00 C ATOM 119 CD GLU A 11 7.676 3.351 7.955 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.777 4.574 7.728 1.00 0.00 O ATOM 121 OE2 GLU A 11 6.796 2.862 8.695 1.00 0.00 O ATOM 0 H GLU A 11 9.499 3.393 3.636 1.00 0.00 H new ATOM 0 HA GLU A 11 10.783 2.158 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.530 3.563 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.808 1.970 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.442 1.386 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.672 2.632 7.672 1.00 0.00 H new ATOM 128 N SER A 12 10.741 -0.280 5.450 1.00 0.00 N ATOM 129 CA SER A 12 10.736 -1.729 5.291 1.00 0.00 C ATOM 130 C SER A 12 9.820 -2.385 6.319 1.00 0.00 C ATOM 131 O SER A 12 9.645 -1.876 7.427 1.00 0.00 O ATOM 132 CB SER A 12 12.155 -2.283 5.429 1.00 0.00 C ATOM 133 OG SER A 12 12.137 -3.681 5.664 1.00 0.00 O ATOM 0 H SER A 12 11.506 0.079 6.022 1.00 0.00 H new ATOM 0 HA SER A 12 10.359 -1.959 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.721 -2.071 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.667 -1.780 6.249 1.00 0.00 H new ATOM 0 HG SER A 12 13.056 -4.011 5.747 1.00 0.00 H new ATOM 139 N PHE A 13 9.235 -3.518 5.945 1.00 0.00 N ATOM 140 CA PHE A 13 8.335 -4.245 6.833 1.00 0.00 C ATOM 141 C PHE A 13 8.528 -5.751 6.689 1.00 0.00 C ATOM 142 O PHE A 13 9.196 -6.218 5.765 1.00 0.00 O ATOM 143 CB PHE A 13 6.881 -3.874 6.534 1.00 0.00 C ATOM 144 CG PHE A 13 6.458 -2.567 7.142 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.802 -1.366 6.543 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.716 -2.540 8.312 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.415 -0.162 7.101 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.326 -1.340 8.874 1.00 0.00 C ATOM 149 CZ PHE A 13 5.675 -0.149 8.267 1.00 0.00 C ATOM 0 H PHE A 13 9.368 -3.953 5.032 1.00 0.00 H new ATOM 0 HA PHE A 13 8.571 -3.964 7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.742 -3.825 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.229 -4.665 6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.379 -1.371 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.439 -3.468 8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.691 0.768 6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.749 -1.333 9.787 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.370 0.790 8.704 1.00 0.00 H new ATOM 159 N LEU A 14 7.939 -6.507 7.609 1.00 0.00 N ATOM 160 CA LEU A 14 8.046 -7.962 7.586 1.00 0.00 C ATOM 161 C LEU A 14 6.869 -8.606 8.314 1.00 0.00 C ATOM 162 O LEU A 14 6.571 -8.263 9.458 1.00 0.00 O ATOM 163 CB LEU A 14 9.361 -8.407 8.226 1.00 0.00 C ATOM 164 CG LEU A 14 9.664 -9.905 8.168 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.683 -10.681 9.034 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.619 -10.403 6.731 1.00 0.00 C ATOM 0 H LEU A 14 7.383 -6.137 8.380 1.00 0.00 H new ATOM 0 HA LEU A 14 8.028 -8.286 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.177 -7.873 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.356 -8.098 9.271 1.00 0.00 H new ATOM 0 HG LEU A 14 10.669 -10.069 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.913 -11.745 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.764 -10.343 10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.668 -10.511 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.837 -11.471 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.627 -10.227 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.361 -9.869 6.137 1.00 0.00 H new ATOM 178 N VAL A 15 6.206 -9.542 7.643 1.00 0.00 N ATOM 179 CA VAL A 15 5.064 -10.236 8.227 1.00 0.00 C ATOM 180 C VAL A 15 4.935 -11.648 7.667 1.00 0.00 C ATOM 181 O VAL A 15 5.785 -12.104 6.901 1.00 0.00 O ATOM 182 CB VAL A 15 3.752 -9.472 7.970 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.784 -8.111 8.649 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.503 -9.326 6.477 1.00 0.00 C ATOM 0 H VAL A 15 6.440 -9.837 6.695 1.00 0.00 H new ATOM 0 HA VAL A 15 5.241 -10.289 9.301 1.00 0.00 H new ATOM 0 HB VAL A 15 2.929 -10.045 8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.848 -7.586 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.911 -8.243 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.616 -7.527 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.572 -8.784 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.327 -8.776 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.432 -10.314 6.022 1.00 0.00 H new ATOM 194 N HIS A 16 3.866 -12.337 8.054 1.00 0.00 N ATOM 195 CA HIS A 16 3.624 -13.698 7.590 1.00 0.00 C ATOM 196 C HIS A 16 2.188 -13.859 7.101 1.00 0.00 C ATOM 197 O HIS A 16 1.343 -12.983 7.284 1.00 0.00 O ATOM 198 CB HIS A 16 3.909 -14.700 8.710 1.00 0.00 C ATOM 199 CG HIS A 16 2.677 -15.349 9.260 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.479 -14.823 9.609 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.587 -16.702 9.512 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.696 -15.857 10.060 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.388 -16.980 9.990 1.00 0.00 N flip ATOM 0 H HIS A 16 3.154 -11.975 8.688 1.00 0.00 H new ATOM 0 HA HIS A 16 4.297 -13.895 6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.579 -15.472 8.333 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.433 -14.190 9.518 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.374 -17.422 9.344 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.320 -15.767 10.414 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.053 -17.905 10.259 1.00 0.00 H new ATOM 212 N PRO A 17 1.904 -15.004 6.463 1.00 0.00 N ATOM 213 CA PRO A 17 0.570 -15.306 5.934 1.00 0.00 C ATOM 214 C PRO A 17 -0.449 -15.555 7.041 1.00 0.00 C ATOM 215 O PRO A 17 -0.529 -16.653 7.589 1.00 0.00 O ATOM 216 CB PRO A 17 0.793 -16.580 5.116 1.00 0.00 C ATOM 217 CG PRO A 17 1.990 -17.220 5.730 1.00 0.00 C ATOM 218 CD PRO A 17 2.862 -16.092 6.209 1.00 0.00 C ATOM 0 HA PRO A 17 0.164 -14.477 5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.075 -17.237 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.963 -16.350 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.704 -17.870 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.517 -17.840 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.410 -16.363 7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.601 -15.810 5.460 1.00 0.00 H new ATOM 226 N GLY A 18 -1.228 -14.527 7.364 1.00 0.00 N ATOM 227 CA GLY A 18 -2.233 -14.655 8.403 1.00 0.00 C ATOM 228 C GLY A 18 -2.159 -13.536 9.423 1.00 0.00 C ATOM 229 O GLY A 18 -3.045 -13.396 10.266 1.00 0.00 O ATOM 0 H GLY A 18 -1.181 -13.608 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.223 -14.662 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.108 -15.612 8.909 1.00 0.00 H new ATOM 233 N ASP A 19 -1.099 -12.739 9.348 1.00 0.00 N ATOM 234 CA ASP A 19 -0.912 -11.626 10.272 1.00 0.00 C ATOM 235 C ASP A 19 -1.666 -10.390 9.794 1.00 0.00 C ATOM 236 O ASP A 19 -2.411 -10.444 8.814 1.00 0.00 O ATOM 237 CB ASP A 19 0.576 -11.305 10.422 1.00 0.00 C ATOM 238 CG ASP A 19 1.224 -12.077 11.555 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.654 -13.106 11.974 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.301 -11.652 12.022 1.00 0.00 O ATOM 0 H ASP A 19 -0.356 -12.843 8.657 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.312 -11.920 11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.090 -11.535 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.698 -10.236 10.598 1.00 0.00 H new ATOM 245 N LEU A 20 -1.470 -9.277 10.491 1.00 0.00 N ATOM 246 CA LEU A 20 -2.132 -8.026 10.139 1.00 0.00 C ATOM 247 C LEU A 20 -1.132 -7.018 9.583 1.00 0.00 C ATOM 248 O LEU A 20 -0.286 -6.499 10.312 1.00 0.00 O ATOM 249 CB LEU A 20 -2.840 -7.438 11.362 1.00 0.00 C ATOM 250 CG LEU A 20 -3.714 -6.210 11.106 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.918 -6.580 10.254 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.159 -5.589 12.421 1.00 0.00 C ATOM 0 H LEU A 20 -0.857 -9.215 11.304 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.871 -8.240 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.462 -8.216 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.085 -7.173 12.102 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.123 -5.474 10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.528 -5.693 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.579 -6.978 9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.511 -7.334 10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.780 -4.716 12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.733 -6.319 12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.283 -5.286 12.995 1.00 0.00 H new ATOM 264 N LEU A 21 -1.235 -6.743 8.287 1.00 0.00 N ATOM 265 CA LEU A 21 -0.341 -5.794 7.632 1.00 0.00 C ATOM 266 C LEU A 21 -0.840 -4.364 7.810 1.00 0.00 C ATOM 267 O LEU A 21 -1.843 -3.969 7.216 1.00 0.00 O ATOM 268 CB LEU A 21 -0.219 -6.123 6.144 1.00 0.00 C ATOM 269 CG LEU A 21 0.697 -5.209 5.328 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.145 -5.383 5.758 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.543 -5.491 3.840 1.00 0.00 C ATOM 0 H LEU A 21 -1.929 -7.164 7.669 1.00 0.00 H new ATOM 0 HA LEU A 21 0.641 -5.876 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.142 -7.147 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.215 -6.093 5.703 1.00 0.00 H new ATOM 0 HG LEU A 21 0.406 -4.175 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.782 -4.725 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.244 -5.131 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.449 -6.418 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.202 -4.832 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.807 -6.529 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.490 -5.314 3.541 1.00 0.00 H new ATOM 283 N GLN A 22 -0.132 -3.593 8.629 1.00 0.00 N ATOM 284 CA GLN A 22 -0.503 -2.206 8.883 1.00 0.00 C ATOM 285 C GLN A 22 0.555 -1.251 8.340 1.00 0.00 C ATOM 286 O GLN A 22 1.750 -1.430 8.580 1.00 0.00 O ATOM 287 CB GLN A 22 -0.695 -1.973 10.382 1.00 0.00 C ATOM 288 CG GLN A 22 -2.118 -2.213 10.858 1.00 0.00 C ATOM 289 CD GLN A 22 -2.473 -1.385 12.077 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.819 -0.386 12.376 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.515 -1.797 12.790 1.00 0.00 N ATOM 0 H GLN A 22 0.701 -3.905 9.128 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.443 -2.009 8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.021 -2.630 10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.409 -0.949 10.622 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.812 -1.979 10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.245 -3.270 11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.029 -2.631 12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.801 -1.280 13.621 1.00 0.00 H new ATOM 300 N LEU A 23 0.110 -0.238 7.605 1.00 0.00 N ATOM 301 CA LEU A 23 1.019 0.746 7.027 1.00 0.00 C ATOM 302 C LEU A 23 0.625 2.160 7.441 1.00 0.00 C ATOM 303 O LEU A 23 -0.486 2.392 7.917 1.00 0.00 O ATOM 304 CB LEU A 23 1.022 0.631 5.502 1.00 0.00 C ATOM 305 CG LEU A 23 1.545 -0.687 4.929 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.462 -0.679 3.411 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.975 -0.937 5.386 1.00 0.00 C ATOM 0 H LEU A 23 -0.875 -0.076 7.395 1.00 0.00 H new ATOM 0 HA LEU A 23 2.022 0.544 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.003 0.781 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.624 1.444 5.098 1.00 0.00 H new ATOM 0 HG LEU A 23 0.919 -1.497 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.838 -1.625 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.424 -0.547 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.064 0.141 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.331 -1.879 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.614 -0.124 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.006 -0.988 6.474 1.00 0.00 H new ATOM 319 N ARG A 24 1.544 3.103 7.255 1.00 0.00 N ATOM 320 CA ARG A 24 1.292 4.495 7.608 1.00 0.00 C ATOM 321 C ARG A 24 1.917 5.437 6.583 1.00 0.00 C ATOM 322 O ARG A 24 3.043 5.224 6.133 1.00 0.00 O ATOM 323 CB ARG A 24 1.848 4.798 9.000 1.00 0.00 C ATOM 324 CG ARG A 24 1.088 5.891 9.734 1.00 0.00 C ATOM 325 CD ARG A 24 1.513 5.982 11.192 1.00 0.00 C ATOM 326 NE ARG A 24 2.639 6.894 11.377 1.00 0.00 N ATOM 327 CZ ARG A 24 2.548 8.212 11.235 1.00 0.00 C ATOM 328 NH1 ARG A 24 1.391 8.769 10.907 1.00 0.00 N ATOM 329 NH2 ARG A 24 3.618 8.975 11.420 1.00 0.00 N ATOM 0 H ARG A 24 2.469 2.928 6.862 1.00 0.00 H new ATOM 0 HA ARG A 24 0.214 4.654 7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.825 3.887 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.893 5.093 8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.261 6.849 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.018 5.692 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.670 6.319 11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.786 4.990 11.553 1.00 0.00 H new ATOM 0 HE ARG A 24 3.544 6.497 11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.567 8.186 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.325 9.781 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.510 8.550 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.548 9.987 11.311 1.00 0.00 H new ATOM 343 N CYS A 25 1.178 6.479 6.217 1.00 0.00 N ATOM 344 CA CYS A 25 1.658 7.454 5.245 1.00 0.00 C ATOM 345 C CYS A 25 1.872 8.815 5.900 1.00 0.00 C ATOM 346 O CYS A 25 0.943 9.401 6.457 1.00 0.00 O ATOM 347 CB CYS A 25 0.665 7.583 4.089 1.00 0.00 C ATOM 348 SG CYS A 25 1.072 8.905 2.903 1.00 0.00 S ATOM 0 H CYS A 25 0.244 6.670 6.579 1.00 0.00 H new ATOM 0 HA CYS A 25 2.614 7.103 4.857 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.619 6.633 3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.329 7.769 4.497 1.00 0.00 H new ATOM 353 N ARG A 26 3.103 9.313 5.829 1.00 0.00 N ATOM 354 CA ARG A 26 3.440 10.604 6.416 1.00 0.00 C ATOM 355 C ARG A 26 2.698 11.734 5.707 1.00 0.00 C ATOM 356 O ARG A 26 2.957 12.022 4.537 1.00 0.00 O ATOM 357 CB ARG A 26 4.949 10.844 6.341 1.00 0.00 C ATOM 358 CG ARG A 26 5.415 11.372 4.994 1.00 0.00 C ATOM 359 CD ARG A 26 6.926 11.275 4.850 1.00 0.00 C ATOM 360 NE ARG A 26 7.360 11.499 3.474 1.00 0.00 N ATOM 361 CZ ARG A 26 8.576 11.923 3.147 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.473 12.167 4.092 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.896 12.104 1.872 1.00 0.00 N ATOM 0 H ARG A 26 3.883 8.842 5.371 1.00 0.00 H new ATOM 0 HA ARG A 26 3.133 10.591 7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.235 11.553 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.468 9.910 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.935 10.807 4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.104 12.411 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.400 12.007 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.259 10.291 5.180 1.00 0.00 H new ATOM 0 HE ARG A 26 6.693 11.320 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.230 12.029 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.406 12.492 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.208 11.918 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.830 12.430 1.622 1.00 0.00 H new ATOM 477 N SER A 33 -5.195 15.342 -0.239 1.00 0.00 N ATOM 478 CA SER A 33 -5.666 13.986 -0.498 1.00 0.00 C ATOM 479 C SER A 33 -4.513 12.989 -0.428 1.00 0.00 C ATOM 480 O SER A 33 -3.363 13.367 -0.205 1.00 0.00 O ATOM 481 CB SER A 33 -6.338 13.911 -1.870 1.00 0.00 C ATOM 482 OG SER A 33 -7.295 12.866 -1.912 1.00 0.00 O ATOM 0 HA SER A 33 -6.395 13.727 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.822 14.861 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.584 13.749 -2.640 1.00 0.00 H new ATOM 0 HG SER A 33 -7.712 12.840 -2.799 1.00 0.00 H new ATOM 488 N ILE A 34 -4.831 11.713 -0.621 1.00 0.00 N ATOM 489 CA ILE A 34 -3.823 10.661 -0.581 1.00 0.00 C ATOM 490 C ILE A 34 -4.083 9.609 -1.653 1.00 0.00 C ATOM 491 O ILE A 34 -5.227 9.225 -1.895 1.00 0.00 O ATOM 492 CB ILE A 34 -3.781 9.973 0.797 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.893 11.013 1.914 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.502 9.164 0.946 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.246 10.419 3.259 1.00 0.00 C ATOM 0 H ILE A 34 -5.778 11.383 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.862 11.139 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.629 9.293 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.946 11.547 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.650 11.748 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.487 8.684 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.461 8.402 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.640 9.825 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.308 11.214 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.207 9.909 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.477 9.705 3.555 1.00 0.00 H new ATOM 507 N ASN A 35 -3.014 9.146 -2.292 1.00 0.00 N ATOM 508 CA ASN A 35 -3.126 8.137 -3.339 1.00 0.00 C ATOM 509 C ASN A 35 -2.245 6.931 -3.029 1.00 0.00 C ATOM 510 O ASN A 35 -1.019 7.008 -3.106 1.00 0.00 O ATOM 511 CB ASN A 35 -2.737 8.732 -4.694 1.00 0.00 C ATOM 512 CG ASN A 35 -3.461 8.065 -5.848 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.603 7.626 -5.708 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.798 7.986 -6.996 1.00 0.00 N ATOM 0 H ASN A 35 -2.060 9.453 -2.103 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.164 7.806 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.960 9.799 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.661 8.631 -4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.234 7.548 -7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.853 8.364 -7.066 1.00 0.00 H new ATOM 521 N TRP A 36 -2.879 5.817 -2.678 1.00 0.00 N ATOM 522 CA TRP A 36 -2.152 4.594 -2.356 1.00 0.00 C ATOM 523 C TRP A 36 -1.800 3.821 -3.623 1.00 0.00 C ATOM 524 O TRP A 36 -2.609 3.720 -4.546 1.00 0.00 O ATOM 525 CB TRP A 36 -2.983 3.714 -1.422 1.00 0.00 C ATOM 526 CG TRP A 36 -2.879 4.113 0.019 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.819 4.774 0.757 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.771 3.879 0.895 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.362 4.965 2.039 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.109 4.424 2.149 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.527 3.259 0.743 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.247 4.368 3.241 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.327 3.205 1.828 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.036 3.756 3.064 1.00 0.00 C ATOM 0 H TRP A 36 -3.893 5.736 -2.609 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.226 4.873 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.028 3.757 -1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.661 2.678 -1.529 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.780 5.099 0.387 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.873 5.434 2.787 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.239 2.830 -0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.524 4.793 4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.291 2.730 1.721 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.653 3.697 3.893 1.00 0.00 H new ATOM 545 N LEU A 37 -0.589 3.277 -3.661 1.00 0.00 N ATOM 546 CA LEU A 37 -0.130 2.512 -4.815 1.00 0.00 C ATOM 547 C LEU A 37 0.612 1.254 -4.375 1.00 0.00 C ATOM 548 O LEU A 37 1.004 1.127 -3.214 1.00 0.00 O ATOM 549 CB LEU A 37 0.780 3.373 -5.693 1.00 0.00 C ATOM 550 CG LEU A 37 0.130 4.603 -6.330 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.154 5.711 -6.516 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.512 4.238 -7.660 1.00 0.00 C ATOM 0 H LEU A 37 0.093 3.351 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.005 2.212 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.625 3.705 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.183 2.746 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.650 4.966 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.674 6.578 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.567 5.991 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.957 5.360 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.969 5.125 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.249 3.850 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.276 3.478 -7.499 1.00 0.00 H new ATOM 564 N ARG A 38 0.804 0.329 -5.309 1.00 0.00 N ATOM 565 CA ARG A 38 1.501 -0.918 -5.018 1.00 0.00 C ATOM 566 C ARG A 38 2.167 -1.475 -6.272 1.00 0.00 C ATOM 567 O ARG A 38 1.493 -1.828 -7.240 1.00 0.00 O ATOM 568 CB ARG A 38 0.526 -1.949 -4.444 1.00 0.00 C ATOM 569 CG ARG A 38 1.197 -3.237 -3.996 1.00 0.00 C ATOM 570 CD ARG A 38 0.279 -4.063 -3.108 1.00 0.00 C ATOM 571 NE ARG A 38 -0.666 -4.858 -3.888 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.773 -5.389 -3.381 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.073 -5.210 -2.102 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.584 -6.100 -4.154 1.00 0.00 N ATOM 0 H ARG A 38 0.487 0.419 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 38 2.275 -0.709 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.002 -1.508 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.226 -2.184 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.483 -3.822 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.114 -3.002 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.878 -4.724 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.270 -3.401 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.465 -5.014 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.453 -4.663 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.924 -5.619 -1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.358 -6.239 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.434 -6.507 -3.763 1.00 0.00 H new ATOM 588 N ASP A 39 3.493 -1.550 -6.248 1.00 0.00 N ATOM 589 CA ASP A 39 4.251 -2.064 -7.383 1.00 0.00 C ATOM 590 C ASP A 39 4.006 -1.217 -8.628 1.00 0.00 C ATOM 591 O ASP A 39 4.132 -1.699 -9.753 1.00 0.00 O ATOM 592 CB ASP A 39 3.872 -3.520 -7.659 1.00 0.00 C ATOM 593 CG ASP A 39 5.021 -4.316 -8.246 1.00 0.00 C ATOM 594 OD1 ASP A 39 6.136 -4.250 -7.687 1.00 0.00 O ATOM 595 OD2 ASP A 39 4.805 -5.005 -9.265 1.00 0.00 O ATOM 0 H ASP A 39 4.066 -1.261 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 39 5.311 -2.013 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.545 -3.989 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.026 -3.548 -8.346 1.00 0.00 H new ATOM 600 N GLY A 40 3.655 0.048 -8.418 1.00 0.00 N ATOM 601 CA GLY A 40 3.397 0.941 -9.532 1.00 0.00 C ATOM 602 C GLY A 40 1.981 0.817 -10.059 1.00 0.00 C ATOM 603 O GLY A 40 1.762 0.783 -11.270 1.00 0.00 O ATOM 0 H GLY A 40 3.545 0.470 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.576 1.969 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.101 0.726 -10.336 1.00 0.00 H new ATOM 607 N VAL A 41 1.016 0.748 -9.147 1.00 0.00 N ATOM 608 CA VAL A 41 -0.386 0.626 -9.526 1.00 0.00 C ATOM 609 C VAL A 41 -1.303 1.043 -8.381 1.00 0.00 C ATOM 610 O VAL A 41 -0.983 0.836 -7.211 1.00 0.00 O ATOM 611 CB VAL A 41 -0.731 -0.815 -9.947 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.961 -1.688 -8.723 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.950 -0.826 -10.857 1.00 0.00 C ATOM 0 H VAL A 41 1.180 0.775 -8.141 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.543 1.292 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 41 0.112 -1.225 -10.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.204 -2.702 -9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.058 -1.705 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.787 -1.284 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.180 -1.852 -11.145 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.802 -0.398 -10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.743 -0.236 -11.750 1.00 0.00 H new ATOM 623 N GLN A 42 -2.444 1.630 -8.727 1.00 0.00 N ATOM 624 CA GLN A 42 -3.407 2.076 -7.728 1.00 0.00 C ATOM 625 C GLN A 42 -3.794 0.932 -6.796 1.00 0.00 C ATOM 626 O GLN A 42 -4.164 -0.153 -7.248 1.00 0.00 O ATOM 627 CB GLN A 42 -4.656 2.640 -8.408 1.00 0.00 C ATOM 628 CG GLN A 42 -5.702 3.152 -7.431 1.00 0.00 C ATOM 629 CD GLN A 42 -5.521 4.621 -7.101 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.326 5.462 -7.501 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.462 4.936 -6.366 1.00 0.00 N ATOM 0 H GLN A 42 -2.724 1.808 -9.692 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.939 2.862 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.362 3.453 -9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.102 1.865 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.695 2.998 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.652 2.568 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.821 4.206 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.289 5.908 -6.111 1.00 0.00 H new ATOM 640 N LEU A 43 -3.705 1.180 -5.494 1.00 0.00 N ATOM 641 CA LEU A 43 -4.046 0.171 -4.498 1.00 0.00 C ATOM 642 C LEU A 43 -5.555 0.098 -4.290 1.00 0.00 C ATOM 643 O LEU A 43 -6.257 1.101 -4.411 1.00 0.00 O ATOM 644 CB LEU A 43 -3.351 0.481 -3.171 1.00 0.00 C ATOM 645 CG LEU A 43 -3.519 -0.562 -2.065 1.00 0.00 C ATOM 646 CD1 LEU A 43 -3.140 -1.944 -2.573 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.682 -0.190 -0.850 1.00 0.00 C ATOM 0 H LEU A 43 -3.399 2.071 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.702 -0.796 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.286 0.609 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.725 1.436 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.567 -0.582 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.266 -2.673 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.782 -2.212 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.100 -1.939 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.814 -0.943 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.631 -0.141 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.001 0.781 -0.472 1.00 0.00 H new ATOM 659 N ALA A 44 -6.047 -1.096 -3.975 1.00 0.00 N ATOM 660 CA ALA A 44 -7.472 -1.299 -3.746 1.00 0.00 C ATOM 661 C ALA A 44 -7.718 -2.024 -2.428 1.00 0.00 C ATOM 662 O ALA A 44 -6.890 -2.816 -1.981 1.00 0.00 O ATOM 663 CB ALA A 44 -8.086 -2.076 -4.901 1.00 0.00 C ATOM 0 H ALA A 44 -5.479 -1.937 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.949 -0.321 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.151 -2.221 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.950 -1.518 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.598 -3.047 -4.987 1.00 0.00 H new ATOM 669 N GLU A 45 -8.862 -1.746 -1.810 1.00 0.00 N ATOM 670 CA GLU A 45 -9.216 -2.371 -0.541 1.00 0.00 C ATOM 671 C GLU A 45 -10.093 -3.600 -0.765 1.00 0.00 C ATOM 672 O GLU A 45 -10.757 -3.721 -1.794 1.00 0.00 O ATOM 673 CB GLU A 45 -9.941 -1.371 0.362 1.00 0.00 C ATOM 674 CG GLU A 45 -9.484 0.065 0.169 1.00 0.00 C ATOM 675 CD GLU A 45 -10.502 1.073 0.666 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.160 0.797 1.690 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.640 2.139 0.029 1.00 0.00 O ATOM 0 H GLU A 45 -9.559 -1.093 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.294 -2.688 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.012 -1.431 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.787 -1.656 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.542 0.216 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.290 0.242 -0.889 1.00 0.00 H new ATOM 684 N SER A 46 -10.089 -4.508 0.205 1.00 0.00 N ATOM 685 CA SER A 46 -10.880 -5.729 0.113 1.00 0.00 C ATOM 686 C SER A 46 -11.263 -6.235 1.500 1.00 0.00 C ATOM 687 O SER A 46 -10.866 -5.661 2.513 1.00 0.00 O ATOM 688 CB SER A 46 -10.102 -6.810 -0.640 1.00 0.00 C ATOM 689 OG SER A 46 -10.974 -7.804 -1.150 1.00 0.00 O ATOM 0 H SER A 46 -9.546 -4.421 1.064 1.00 0.00 H new ATOM 0 HA SER A 46 -11.794 -5.500 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.544 -6.357 -1.459 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.373 -7.269 0.027 1.00 0.00 H new ATOM 0 HG SER A 46 -10.453 -8.482 -1.628 1.00 0.00 H new ATOM 695 N ASN A 47 -12.039 -7.313 1.537 1.00 0.00 N ATOM 696 CA ASN A 47 -12.477 -7.897 2.799 1.00 0.00 C ATOM 697 C ASN A 47 -11.344 -7.897 3.821 1.00 0.00 C ATOM 698 O ASN A 47 -11.582 -7.823 5.027 1.00 0.00 O ATOM 699 CB ASN A 47 -12.979 -9.325 2.578 1.00 0.00 C ATOM 700 CG ASN A 47 -11.846 -10.308 2.356 1.00 0.00 C ATOM 701 OD1 ASN A 47 -11.653 -11.213 3.308 1.00 0.00 O flip ATOM 702 ND2 ASN A 47 -11.153 -10.255 1.339 1.00 0.00 N flip ATOM 0 H ASN A 47 -12.378 -7.800 0.707 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.293 -7.288 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.565 -9.639 3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.646 -9.343 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.337 -9.542 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.395 -10.924 1.203 1.00 0.00 H new ATOM 709 N ARG A 48 -10.112 -7.980 3.330 1.00 0.00 N ATOM 710 CA ARG A 48 -8.942 -7.990 4.200 1.00 0.00 C ATOM 711 C ARG A 48 -8.274 -6.619 4.228 1.00 0.00 C ATOM 712 O ARG A 48 -8.113 -6.016 5.290 1.00 0.00 O ATOM 713 CB ARG A 48 -7.941 -9.048 3.731 1.00 0.00 C ATOM 714 CG ARG A 48 -8.397 -10.475 3.988 1.00 0.00 C ATOM 715 CD ARG A 48 -7.408 -11.485 3.429 1.00 0.00 C ATOM 716 NE ARG A 48 -7.305 -11.403 1.975 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.621 -12.270 1.236 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.985 -13.280 1.813 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.574 -12.128 -0.082 1.00 0.00 N ATOM 0 H ARG A 48 -9.898 -8.041 2.335 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.272 -8.234 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.763 -8.919 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.989 -8.884 4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.514 -10.633 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.375 -10.633 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.427 -11.315 3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.717 -12.491 3.714 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.784 -10.638 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.020 -13.393 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.461 -13.944 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.063 -11.353 -0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.049 -12.794 -0.648 1.00 0.00 H new ATOM 733 N THR A 49 -7.885 -6.131 3.054 1.00 0.00 N ATOM 734 CA THR A 49 -7.233 -4.833 2.944 1.00 0.00 C ATOM 735 C THR A 49 -8.195 -3.703 3.291 1.00 0.00 C ATOM 736 O THR A 49 -9.374 -3.748 2.937 1.00 0.00 O ATOM 737 CB THR A 49 -6.677 -4.601 1.526 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.809 -5.679 1.158 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.920 -3.284 1.450 1.00 0.00 C ATOM 0 H THR A 49 -8.011 -6.616 2.166 1.00 0.00 H new ATOM 0 HA THR A 49 -6.406 -4.834 3.655 1.00 0.00 H new ATOM 0 HB THR A 49 -7.517 -4.559 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.461 -5.525 0.255 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.537 -3.142 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.592 -2.463 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.088 -3.301 2.154 1.00 0.00 H new ATOM 747 N ARG A 50 -7.686 -2.690 3.984 1.00 0.00 N ATOM 748 CA ARG A 50 -8.502 -1.548 4.379 1.00 0.00 C ATOM 749 C ARG A 50 -7.693 -0.255 4.319 1.00 0.00 C ATOM 750 O ARG A 50 -6.741 -0.072 5.078 1.00 0.00 O ATOM 751 CB ARG A 50 -9.053 -1.752 5.792 1.00 0.00 C ATOM 752 CG ARG A 50 -9.671 -0.499 6.391 1.00 0.00 C ATOM 753 CD ARG A 50 -11.038 -0.210 5.791 1.00 0.00 C ATOM 754 NE ARG A 50 -11.721 0.880 6.482 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.318 0.743 7.661 1.00 0.00 C ATOM 756 NH1 ARG A 50 -12.316 -0.431 8.276 1.00 0.00 N ATOM 757 NH2 ARG A 50 -12.918 1.783 8.226 1.00 0.00 N ATOM 0 H ARG A 50 -6.712 -2.637 4.284 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.334 -1.469 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.803 -2.542 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.247 -2.096 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.764 -0.618 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.010 0.351 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.925 0.044 4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.652 -1.110 5.838 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.741 1.797 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.855 -1.232 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.775 -0.533 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.921 2.688 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.376 1.678 9.131 1.00 0.00 H new ATOM 771 N ILE A 51 -8.078 0.636 3.413 1.00 0.00 N ATOM 772 CA ILE A 51 -7.390 1.911 3.254 1.00 0.00 C ATOM 773 C ILE A 51 -8.155 3.038 3.938 1.00 0.00 C ATOM 774 O ILE A 51 -9.198 3.479 3.454 1.00 0.00 O ATOM 775 CB ILE A 51 -7.195 2.265 1.768 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.347 1.198 1.073 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.548 3.636 1.631 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.530 1.163 -0.428 1.00 0.00 C ATOM 0 H ILE A 51 -8.864 0.499 2.777 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.412 1.802 3.724 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.172 2.296 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.296 1.377 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.599 0.221 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.417 3.872 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.187 4.388 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.577 3.631 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.898 0.383 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.574 0.953 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.250 2.128 -0.851 1.00 0.00 H new ATOM 790 N THR A 52 -7.630 3.503 5.068 1.00 0.00 N ATOM 791 CA THR A 52 -8.264 4.580 5.819 1.00 0.00 C ATOM 792 C THR A 52 -7.746 5.942 5.370 1.00 0.00 C ATOM 793 O THR A 52 -7.944 6.947 6.050 1.00 0.00 O ATOM 794 CB THR A 52 -8.024 4.426 7.332 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.628 4.238 7.590 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.811 3.248 7.888 1.00 0.00 C ATOM 0 H THR A 52 -6.767 3.150 5.483 1.00 0.00 H new ATOM 0 HA THR A 52 -9.334 4.517 5.620 1.00 0.00 H new ATOM 0 HB THR A 52 -8.365 5.336 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.269 3.567 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.625 3.159 8.958 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.875 3.408 7.716 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.497 2.332 7.388 1.00 0.00 H new ATOM 804 N GLY A 53 -7.081 5.967 4.218 1.00 0.00 N ATOM 805 CA GLY A 53 -6.545 7.211 3.698 1.00 0.00 C ATOM 806 C GLY A 53 -5.031 7.256 3.745 1.00 0.00 C ATOM 807 O GLY A 53 -4.371 7.225 2.707 1.00 0.00 O ATOM 0 H GLY A 53 -6.904 5.148 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.877 7.344 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.948 8.045 4.273 1.00 0.00 H new ATOM 811 N GLU A 54 -4.480 7.330 4.953 1.00 0.00 N ATOM 812 CA GLU A 54 -3.033 7.381 5.129 1.00 0.00 C ATOM 813 C GLU A 54 -2.528 6.130 5.842 1.00 0.00 C ATOM 814 O GLU A 54 -1.333 5.992 6.103 1.00 0.00 O ATOM 815 CB GLU A 54 -2.638 8.628 5.923 1.00 0.00 C ATOM 816 CG GLU A 54 -2.673 8.428 7.429 1.00 0.00 C ATOM 817 CD GLU A 54 -2.942 9.716 8.182 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.126 10.086 8.321 1.00 0.00 O ATOM 819 OE2 GLU A 54 -1.967 10.353 8.633 1.00 0.00 O ATOM 0 H GLU A 54 -5.013 7.356 5.823 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.573 7.426 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.634 8.933 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.309 9.445 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.444 7.699 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.722 8.011 7.759 1.00 0.00 H new ATOM 826 N GLU A 55 -3.447 5.221 6.154 1.00 0.00 N ATOM 827 CA GLU A 55 -3.094 3.982 6.837 1.00 0.00 C ATOM 828 C GLU A 55 -3.766 2.784 6.173 1.00 0.00 C ATOM 829 O GLU A 55 -4.981 2.769 5.978 1.00 0.00 O ATOM 830 CB GLU A 55 -3.497 4.055 8.312 1.00 0.00 C ATOM 831 CG GLU A 55 -2.433 4.669 9.204 1.00 0.00 C ATOM 832 CD GLU A 55 -2.897 4.831 10.639 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.117 4.991 10.853 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.041 4.799 11.547 1.00 0.00 O ATOM 0 H GLU A 55 -4.440 5.319 5.945 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.014 3.854 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.414 4.638 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.722 3.050 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.541 4.043 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.148 5.643 8.806 1.00 0.00 H new ATOM 841 N VAL A 56 -2.966 1.780 5.827 1.00 0.00 N ATOM 842 CA VAL A 56 -3.482 0.577 5.186 1.00 0.00 C ATOM 843 C VAL A 56 -3.433 -0.615 6.134 1.00 0.00 C ATOM 844 O VAL A 56 -2.403 -0.890 6.748 1.00 0.00 O ATOM 845 CB VAL A 56 -2.688 0.237 3.910 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.121 -1.111 3.355 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.861 1.332 2.868 1.00 0.00 C ATOM 0 H VAL A 56 -1.958 1.776 5.980 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.518 0.781 4.917 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.630 0.175 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.549 -1.334 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.941 -1.886 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.183 -1.080 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.294 1.076 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.916 1.428 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.497 2.278 3.270 1.00 0.00 H new ATOM 857 N GLU A 57 -4.554 -1.321 6.247 1.00 0.00 N ATOM 858 CA GLU A 57 -4.639 -2.484 7.122 1.00 0.00 C ATOM 859 C GLU A 57 -5.177 -3.695 6.365 1.00 0.00 C ATOM 860 O GLU A 57 -6.289 -3.667 5.836 1.00 0.00 O ATOM 861 CB GLU A 57 -5.534 -2.182 8.325 1.00 0.00 C ATOM 862 CG GLU A 57 -5.539 -3.283 9.372 1.00 0.00 C ATOM 863 CD GLU A 57 -6.292 -2.890 10.629 1.00 0.00 C ATOM 864 OE1 GLU A 57 -7.540 -2.923 10.606 1.00 0.00 O ATOM 865 OE2 GLU A 57 -5.633 -2.550 11.634 1.00 0.00 O ATOM 0 H GLU A 57 -5.415 -1.108 5.744 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.634 -2.714 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.203 -1.253 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.554 -2.019 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.990 -4.180 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.511 -3.536 9.633 1.00 0.00 H new ATOM 872 N VAL A 58 -4.381 -4.758 6.318 1.00 0.00 N ATOM 873 CA VAL A 58 -4.776 -5.980 5.627 1.00 0.00 C ATOM 874 C VAL A 58 -4.785 -7.171 6.579 1.00 0.00 C ATOM 875 O VAL A 58 -3.743 -7.571 7.097 1.00 0.00 O ATOM 876 CB VAL A 58 -3.836 -6.287 4.447 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.439 -7.355 3.547 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.539 -5.020 3.659 1.00 0.00 C ATOM 0 H VAL A 58 -3.458 -4.798 6.750 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.784 -5.816 5.245 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.896 -6.669 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.760 -7.558 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.595 -8.268 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.394 -7.004 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.873 -5.256 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.470 -4.606 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.061 -4.289 4.311 1.00 0.00 H new ATOM 888 N GLN A 59 -5.969 -7.733 6.803 1.00 0.00 N ATOM 889 CA GLN A 59 -6.113 -8.879 7.693 1.00 0.00 C ATOM 890 C GLN A 59 -5.658 -10.163 7.006 1.00 0.00 C ATOM 891 O GLN A 59 -5.808 -10.316 5.794 1.00 0.00 O ATOM 892 CB GLN A 59 -7.566 -9.018 8.149 1.00 0.00 C ATOM 893 CG GLN A 59 -8.082 -7.809 8.914 1.00 0.00 C ATOM 894 CD GLN A 59 -9.483 -8.016 9.456 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.826 -9.102 9.924 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.301 -6.972 9.395 1.00 0.00 N ATOM 0 H GLN A 59 -6.841 -7.414 6.381 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.481 -8.711 8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.198 -9.182 7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.657 -9.903 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.405 -7.591 9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.075 -6.939 8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.974 -6.091 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.256 -7.051 9.744 1.00 0.00 H new ATOM 905 N ASP A 60 -5.102 -11.081 7.788 1.00 0.00 N ATOM 906 CA ASP A 60 -4.626 -12.353 7.255 1.00 0.00 C ATOM 907 C ASP A 60 -3.733 -12.131 6.038 1.00 0.00 C ATOM 908 O ASP A 60 -3.860 -12.823 5.028 1.00 0.00 O ATOM 909 CB ASP A 60 -5.809 -13.247 6.879 1.00 0.00 C ATOM 910 CG ASP A 60 -5.463 -14.722 6.947 1.00 0.00 C ATOM 911 OD1 ASP A 60 -5.350 -15.254 8.072 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.307 -15.344 5.876 1.00 0.00 O ATOM 0 H ASP A 60 -4.969 -10.969 8.793 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.039 -12.847 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.644 -13.041 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.141 -13.001 5.871 1.00 0.00 H new ATOM 917 N SER A 61 -2.830 -11.161 6.142 1.00 0.00 N ATOM 918 CA SER A 61 -1.918 -10.845 5.049 1.00 0.00 C ATOM 919 C SER A 61 -1.411 -12.119 4.379 1.00 0.00 C ATOM 920 O SER A 61 -1.490 -13.207 4.949 1.00 0.00 O ATOM 921 CB SER A 61 -0.737 -10.021 5.564 1.00 0.00 C ATOM 922 OG SER A 61 0.148 -10.821 6.329 1.00 0.00 O ATOM 0 H SER A 61 -2.711 -10.580 6.972 1.00 0.00 H new ATOM 0 HA SER A 61 -2.465 -10.260 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.201 -9.583 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.104 -9.195 6.173 1.00 0.00 H new ATOM 0 HG SER A 61 0.895 -10.271 6.645 1.00 0.00 H new ATOM 928 N VAL A 62 -0.890 -11.974 3.165 1.00 0.00 N ATOM 929 CA VAL A 62 -0.368 -13.111 2.417 1.00 0.00 C ATOM 930 C VAL A 62 0.839 -12.709 1.577 1.00 0.00 C ATOM 931 O VAL A 62 1.072 -11.532 1.302 1.00 0.00 O ATOM 932 CB VAL A 62 -1.442 -13.717 1.494 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.196 -14.828 2.210 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.399 -12.637 1.012 1.00 0.00 C ATOM 0 H VAL A 62 -0.818 -11.080 2.679 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.065 -13.859 3.150 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.948 -14.148 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.951 -15.244 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.498 -15.612 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.681 -14.424 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.152 -13.082 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.888 -12.175 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.844 -11.879 0.460 1.00 0.00 H new ATOM 944 N PRO A 63 1.628 -13.710 1.157 1.00 0.00 N ATOM 945 CA PRO A 63 2.824 -13.485 0.340 1.00 0.00 C ATOM 946 C PRO A 63 2.484 -13.029 -1.074 1.00 0.00 C ATOM 947 O PRO A 63 3.372 -12.822 -1.900 1.00 0.00 O ATOM 948 CB PRO A 63 3.497 -14.860 0.311 1.00 0.00 C ATOM 949 CG PRO A 63 2.388 -15.829 0.536 1.00 0.00 C ATOM 950 CD PRO A 63 1.411 -15.137 1.446 1.00 0.00 C ATOM 0 HA PRO A 63 3.454 -12.695 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.991 -15.039 -0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.259 -14.944 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.915 -16.106 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.759 -16.748 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.384 -15.438 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.604 -15.369 2.493 1.00 0.00 H new ATOM 958 N ALA A 64 1.192 -12.874 -1.346 1.00 0.00 N ATOM 959 CA ALA A 64 0.735 -12.440 -2.661 1.00 0.00 C ATOM 960 C ALA A 64 0.355 -10.963 -2.649 1.00 0.00 C ATOM 961 O ALA A 64 0.236 -10.335 -3.701 1.00 0.00 O ATOM 962 CB ALA A 64 -0.444 -13.287 -3.116 1.00 0.00 C ATOM 0 H ALA A 64 0.444 -13.042 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 64 1.556 -12.572 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.775 -12.952 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.141 -14.332 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.262 -13.184 -2.403 1.00 0.00 H new ATOM 968 N ASP A 65 0.166 -10.415 -1.454 1.00 0.00 N ATOM 969 CA ASP A 65 -0.201 -9.012 -1.306 1.00 0.00 C ATOM 970 C ASP A 65 1.039 -8.142 -1.125 1.00 0.00 C ATOM 971 O ASP A 65 1.025 -6.951 -1.436 1.00 0.00 O ATOM 972 CB ASP A 65 -1.143 -8.831 -0.115 1.00 0.00 C ATOM 973 CG ASP A 65 -2.424 -9.629 -0.264 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.752 -10.015 -1.405 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.099 -9.865 0.760 1.00 0.00 O ATOM 0 H ASP A 65 0.261 -10.921 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.714 -8.699 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.632 -9.136 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.387 -7.774 -0.006 1.00 0.00 H new ATOM 980 N SER A 66 2.110 -8.746 -0.620 1.00 0.00 N ATOM 981 CA SER A 66 3.358 -8.026 -0.393 1.00 0.00 C ATOM 982 C SER A 66 3.738 -7.198 -1.617 1.00 0.00 C ATOM 983 O SER A 66 3.079 -7.264 -2.654 1.00 0.00 O ATOM 984 CB SER A 66 4.484 -9.006 -0.057 1.00 0.00 C ATOM 985 OG SER A 66 4.052 -9.976 0.881 1.00 0.00 O ATOM 0 H SER A 66 2.139 -9.732 -0.360 1.00 0.00 H new ATOM 0 HA SER A 66 3.210 -7.351 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.823 -9.501 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.337 -8.460 0.346 1.00 0.00 H new ATOM 0 HG SER A 66 4.418 -10.852 0.638 1.00 0.00 H new ATOM 991 N GLY A 67 4.806 -6.417 -1.488 1.00 0.00 N ATOM 992 CA GLY A 67 5.256 -5.587 -2.590 1.00 0.00 C ATOM 993 C GLY A 67 5.811 -4.256 -2.124 1.00 0.00 C ATOM 994 O GLY A 67 6.357 -4.153 -1.025 1.00 0.00 O ATOM 0 H GLY A 67 5.368 -6.344 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.023 -6.120 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.424 -5.412 -3.272 1.00 0.00 H new ATOM 998 N LEU A 68 5.672 -3.234 -2.961 1.00 0.00 N ATOM 999 CA LEU A 68 6.166 -1.901 -2.630 1.00 0.00 C ATOM 1000 C LEU A 68 5.034 -0.878 -2.661 1.00 0.00 C ATOM 1001 O LEU A 68 4.639 -0.408 -3.728 1.00 0.00 O ATOM 1002 CB LEU A 68 7.269 -1.487 -3.605 1.00 0.00 C ATOM 1003 CG LEU A 68 7.918 -0.127 -3.346 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.789 -0.178 -2.101 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.734 0.313 -4.553 1.00 0.00 C ATOM 0 H LEU A 68 5.222 -3.302 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 68 6.576 -1.933 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.048 -2.249 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.853 -1.483 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 68 7.127 0.605 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.242 0.799 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.177 -0.447 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.573 -0.923 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.189 1.283 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.516 -0.420 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.083 0.392 -5.423 1.00 0.00 H new ATOM 1017 N TYR A 69 4.519 -0.538 -1.485 1.00 0.00 N ATOM 1018 CA TYR A 69 3.433 0.429 -1.378 1.00 0.00 C ATOM 1019 C TYR A 69 3.968 1.857 -1.425 1.00 0.00 C ATOM 1020 O TYR A 69 4.988 2.170 -0.811 1.00 0.00 O ATOM 1021 CB TYR A 69 2.652 0.208 -0.082 1.00 0.00 C ATOM 1022 CG TYR A 69 2.002 -1.154 0.009 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.760 -2.292 0.257 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.630 -1.304 -0.152 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.171 -3.539 0.340 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.033 -2.546 -0.070 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.807 -3.661 0.176 1.00 0.00 C ATOM 1028 OH TYR A 69 0.216 -4.901 0.259 1.00 0.00 O ATOM 0 H TYR A 69 4.836 -0.917 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 69 2.765 0.283 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.326 0.337 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.882 0.975 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.828 -2.200 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.020 -0.434 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.775 -4.413 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.035 -2.644 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 69 0.605 -5.495 -0.416 1.00 0.00 H new ATOM 1038 N ALA A 70 3.272 2.719 -2.158 1.00 0.00 N ATOM 1039 CA ALA A 70 3.674 4.115 -2.284 1.00 0.00 C ATOM 1040 C ALA A 70 2.476 5.047 -2.137 1.00 0.00 C ATOM 1041 O ALA A 70 1.538 4.999 -2.933 1.00 0.00 O ATOM 1042 CB ALA A 70 4.364 4.346 -3.620 1.00 0.00 C ATOM 0 H ALA A 70 2.427 2.475 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 70 4.376 4.339 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.659 5.392 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.249 3.713 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.679 4.098 -4.431 1.00 0.00 H new ATOM 1048 N CYS A 71 2.513 5.893 -1.114 1.00 0.00 N ATOM 1049 CA CYS A 71 1.431 6.836 -0.861 1.00 0.00 C ATOM 1050 C CYS A 71 1.777 8.220 -1.402 1.00 0.00 C ATOM 1051 O CYS A 71 2.827 8.779 -1.084 1.00 0.00 O ATOM 1052 CB CYS A 71 1.140 6.921 0.639 1.00 0.00 C ATOM 1053 SG CYS A 71 2.258 8.034 1.551 1.00 0.00 S ATOM 0 H CYS A 71 3.282 5.945 -0.446 1.00 0.00 H new ATOM 0 HA CYS A 71 0.541 6.476 -1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.113 7.259 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.209 5.922 1.069 1.00 0.00 H new ATOM 1058 N VAL A 72 0.886 8.769 -2.222 1.00 0.00 N ATOM 1059 CA VAL A 72 1.096 10.088 -2.808 1.00 0.00 C ATOM 1060 C VAL A 72 0.046 11.079 -2.318 1.00 0.00 C ATOM 1061 O VAL A 72 -1.146 10.920 -2.581 1.00 0.00 O ATOM 1062 CB VAL A 72 1.055 10.032 -4.346 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.546 11.343 -4.941 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.881 8.862 -4.859 1.00 0.00 C ATOM 0 H VAL A 72 0.012 8.321 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 72 2.084 10.422 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 72 0.022 9.882 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.510 11.285 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.909 12.159 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.572 11.526 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.841 8.838 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.916 8.978 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.479 7.930 -4.460 1.00 0.00 H new ATOM 1074 N THR A 73 0.497 12.106 -1.603 1.00 0.00 N ATOM 1075 CA THR A 73 -0.402 13.124 -1.076 1.00 0.00 C ATOM 1076 C THR A 73 -0.336 14.400 -1.907 1.00 0.00 C ATOM 1077 O THR A 73 0.746 14.920 -2.177 1.00 0.00 O ATOM 1078 CB THR A 73 -0.070 13.461 0.390 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.123 14.250 0.453 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.110 12.193 1.210 1.00 0.00 C ATOM 0 H THR A 73 1.480 12.254 -1.376 1.00 0.00 H new ATOM 0 HA THR A 73 -1.410 12.713 -1.127 1.00 0.00 H new ATOM 0 HB THR A 73 -0.902 14.028 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.243 14.729 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.344 12.457 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.810 11.609 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.926 11.603 0.793 1.00 0.00 H new ATOM 1088 N SER A 74 -1.500 14.900 -2.309 1.00 0.00 N ATOM 1089 CA SER A 74 -1.573 16.114 -3.113 1.00 0.00 C ATOM 1090 C SER A 74 -1.703 17.347 -2.223 1.00 0.00 C ATOM 1091 O SER A 74 -2.626 17.448 -1.415 1.00 0.00 O ATOM 1092 CB SER A 74 -2.758 16.041 -4.079 1.00 0.00 C ATOM 1093 OG SER A 74 -2.510 16.802 -5.248 1.00 0.00 O ATOM 0 H SER A 74 -2.405 14.483 -2.091 1.00 0.00 H new ATOM 0 HA SER A 74 -0.650 16.197 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.946 15.002 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.657 16.410 -3.585 1.00 0.00 H new ATOM 0 HG SER A 74 -3.281 16.738 -5.850 1.00 0.00 H new ATOM 1153 N ASP A 80 3.839 14.752 -2.271 1.00 0.00 N ATOM 1154 CA ASP A 80 4.929 13.936 -1.750 1.00 0.00 C ATOM 1155 C ASP A 80 4.709 12.462 -2.079 1.00 0.00 C ATOM 1156 O ASP A 80 3.711 12.095 -2.700 1.00 0.00 O ATOM 1157 CB ASP A 80 5.054 14.120 -0.237 1.00 0.00 C ATOM 1158 CG ASP A 80 6.482 13.964 0.249 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.410 14.224 -0.544 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.671 13.581 1.423 1.00 0.00 O ATOM 0 HA ASP A 80 5.854 14.262 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.686 15.108 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.420 13.392 0.268 1.00 0.00 H new ATOM 1165 N THR A 81 5.648 11.621 -1.658 1.00 0.00 N ATOM 1166 CA THR A 81 5.559 10.188 -1.909 1.00 0.00 C ATOM 1167 C THR A 81 6.282 9.394 -0.828 1.00 0.00 C ATOM 1168 O THR A 81 7.430 9.686 -0.491 1.00 0.00 O ATOM 1169 CB THR A 81 6.151 9.820 -3.283 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.738 10.777 -4.266 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.710 8.428 -3.707 1.00 0.00 C ATOM 0 H THR A 81 6.479 11.908 -1.141 1.00 0.00 H new ATOM 0 HA THR A 81 4.500 9.931 -1.897 1.00 0.00 H new ATOM 0 HB THR A 81 7.238 9.830 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.119 10.537 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.140 8.191 -4.680 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.050 7.699 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.623 8.395 -3.774 1.00 0.00 H new ATOM 1179 N THR A 82 5.604 8.386 -0.286 1.00 0.00 N ATOM 1180 CA THR A 82 6.183 7.550 0.758 1.00 0.00 C ATOM 1181 C THR A 82 6.106 6.074 0.385 1.00 0.00 C ATOM 1182 O THR A 82 5.018 5.512 0.254 1.00 0.00 O ATOM 1183 CB THR A 82 5.472 7.764 2.107 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.023 9.120 2.215 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.402 7.440 3.266 1.00 0.00 C ATOM 0 H THR A 82 4.654 8.129 -0.553 1.00 0.00 H new ATOM 0 HA THR A 82 7.228 7.844 0.856 1.00 0.00 H new ATOM 0 HB THR A 82 4.614 7.093 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.086 9.178 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.878 7.599 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.719 6.399 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.276 8.089 3.223 1.00 0.00 H new ATOM 1193 N TYR A 83 7.266 5.450 0.216 1.00 0.00 N ATOM 1194 CA TYR A 83 7.330 4.039 -0.144 1.00 0.00 C ATOM 1195 C TYR A 83 7.325 3.158 1.102 1.00 0.00 C ATOM 1196 O TYR A 83 7.674 3.606 2.195 1.00 0.00 O ATOM 1197 CB TYR A 83 8.584 3.758 -0.974 1.00 0.00 C ATOM 1198 CG TYR A 83 8.560 4.401 -2.343 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.944 5.724 -2.517 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.153 3.683 -3.461 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.923 6.315 -3.766 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.131 4.266 -4.714 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.516 5.582 -4.861 1.00 0.00 C ATOM 1204 OH TYR A 83 8.495 6.167 -6.106 1.00 0.00 O ATOM 0 H TYR A 83 8.175 5.899 0.323 1.00 0.00 H new ATOM 0 HA TYR A 83 6.448 3.803 -0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.458 4.115 -0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.699 2.680 -1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.264 6.301 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.849 2.653 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.224 7.346 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.814 3.694 -5.573 1.00 0.00 H new ATOM 0 HH TYR A 83 8.185 5.515 -6.769 1.00 0.00 H new ATOM 1214 N PHE A 84 6.926 1.902 0.930 1.00 0.00 N ATOM 1215 CA PHE A 84 6.874 0.957 2.039 1.00 0.00 C ATOM 1216 C PHE A 84 7.129 -0.467 1.553 1.00 0.00 C ATOM 1217 O PHE A 84 6.288 -1.065 0.882 1.00 0.00 O ATOM 1218 CB PHE A 84 5.515 1.034 2.739 1.00 0.00 C ATOM 1219 CG PHE A 84 5.071 2.438 3.034 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.350 3.162 2.099 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.375 3.034 4.248 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.941 4.455 2.368 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.969 4.326 4.523 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.250 5.037 3.582 1.00 0.00 C ATOM 0 H PHE A 84 6.634 1.515 0.033 1.00 0.00 H new ATOM 0 HA PHE A 84 7.656 1.225 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.766 0.548 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.564 0.473 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.104 2.711 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.936 2.482 4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.381 5.009 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.214 4.779 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.930 6.046 3.795 1.00 0.00 H new ATOM 1234 N SER A 85 8.295 -1.003 1.897 1.00 0.00 N ATOM 1235 CA SER A 85 8.664 -2.354 1.492 1.00 0.00 C ATOM 1236 C SER A 85 8.045 -3.389 2.427 1.00 0.00 C ATOM 1237 O SER A 85 8.432 -3.502 3.590 1.00 0.00 O ATOM 1238 CB SER A 85 10.186 -2.508 1.479 1.00 0.00 C ATOM 1239 OG SER A 85 10.562 -3.871 1.581 1.00 0.00 O ATOM 0 H SER A 85 9.001 -0.522 2.455 1.00 0.00 H new ATOM 0 HA SER A 85 8.281 -2.523 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.590 -2.084 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.619 -1.945 2.306 1.00 0.00 H new ATOM 0 HG SER A 85 11.539 -3.943 1.569 1.00 0.00 H new ATOM 1245 N VAL A 86 7.080 -4.143 1.910 1.00 0.00 N ATOM 1246 CA VAL A 86 6.407 -5.169 2.696 1.00 0.00 C ATOM 1247 C VAL A 86 6.828 -6.566 2.253 1.00 0.00 C ATOM 1248 O VAL A 86 7.134 -6.790 1.083 1.00 0.00 O ATOM 1249 CB VAL A 86 4.876 -5.047 2.585 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.195 -6.223 3.269 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.402 -3.728 3.177 1.00 0.00 C ATOM 0 H VAL A 86 6.747 -4.062 0.949 1.00 0.00 H new ATOM 0 HA VAL A 86 6.702 -5.016 3.734 1.00 0.00 H new ATOM 0 HB VAL A 86 4.604 -5.064 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.114 -6.119 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.511 -7.152 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.472 -6.241 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.318 -3.659 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.686 -3.678 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.863 -2.901 2.637 1.00 0.00 H new ATOM 1261 N ASN A 87 6.841 -7.501 3.197 1.00 0.00 N ATOM 1262 CA ASN A 87 7.225 -8.877 2.904 1.00 0.00 C ATOM 1263 C ASN A 87 6.448 -9.857 3.777 1.00 0.00 C ATOM 1264 O ASN A 87 6.723 -9.996 4.969 1.00 0.00 O ATOM 1265 CB ASN A 87 8.728 -9.066 3.119 1.00 0.00 C ATOM 1266 CG ASN A 87 9.314 -10.127 2.207 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.426 -9.928 0.997 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.692 -11.261 2.785 1.00 0.00 N ATOM 0 H ASN A 87 6.590 -7.331 4.171 1.00 0.00 H new ATOM 0 HA ASN A 87 6.986 -9.080 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.239 -8.119 2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.912 -9.342 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.094 -12.011 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.580 -11.382 3.792 1.00 0.00 H new ATOM 1275 N VAL A 88 5.476 -10.535 3.176 1.00 0.00 N ATOM 1276 CA VAL A 88 4.659 -11.503 3.898 1.00 0.00 C ATOM 1277 C VAL A 88 5.113 -12.930 3.608 1.00 0.00 C ATOM 1278 O VAL A 88 5.022 -13.403 2.475 1.00 0.00 O ATOM 1279 CB VAL A 88 3.169 -11.366 3.531 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.323 -12.308 4.373 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.710 -9.926 3.702 1.00 0.00 C ATOM 0 H VAL A 88 5.235 -10.432 2.190 1.00 0.00 H new ATOM 0 HA VAL A 88 4.785 -11.293 4.960 1.00 0.00 H new ATOM 0 HB VAL A 88 3.043 -11.642 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.274 -12.197 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.638 -13.336 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.451 -12.067 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.655 -9.847 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.849 -9.621 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.296 -9.277 3.051 1.00 0.00 H new ATOM 1291 N SER A 89 5.602 -13.610 4.640 1.00 0.00 N ATOM 1292 CA SER A 89 6.073 -14.983 4.496 1.00 0.00 C ATOM 1293 C SER A 89 6.090 -15.696 5.844 1.00 0.00 C ATOM 1294 O SER A 89 6.443 -15.107 6.866 1.00 0.00 O ATOM 1295 CB SER A 89 7.473 -15.001 3.879 1.00 0.00 C ATOM 1296 OG SER A 89 7.779 -16.278 3.346 1.00 0.00 O ATOM 0 H SER A 89 5.682 -13.233 5.584 1.00 0.00 H new ATOM 0 HA SER A 89 5.385 -15.510 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.536 -14.250 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.211 -14.733 4.635 1.00 0.00 H new ATOM 0 HG SER A 89 8.678 -16.263 2.956 1.00 0.00 H new ATOM 1302 N ASP A 90 5.705 -16.967 5.839 1.00 0.00 N ATOM 1303 CA ASP A 90 5.676 -17.763 7.060 1.00 0.00 C ATOM 1304 C ASP A 90 7.056 -17.814 7.709 1.00 0.00 C ATOM 1305 O ASP A 90 7.191 -18.184 8.874 1.00 0.00 O ATOM 1306 CB ASP A 90 5.187 -19.181 6.760 1.00 0.00 C ATOM 1307 CG ASP A 90 6.106 -19.920 5.807 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.502 -19.325 4.783 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.430 -21.093 6.086 1.00 0.00 O ATOM 0 H ASP A 90 5.408 -17.469 5.002 1.00 0.00 H new ATOM 0 HA ASP A 90 4.984 -17.289 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.109 -19.740 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.186 -19.134 6.332 1.00 0.00 H new