USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 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= 0.043 USER MOD Set 1.2: A 47 ASN : amide:sc= 0.0521 K(o=0.095,f=-2.3!) USER MOD Set 2.1: A 35 ASN : amide:sc= 0.657 K(o=1.5,f=-2.3!) USER MOD Set 2.2: A 42 GLN : amide:sc= 0.794 K(o=1.5,f=-0.11) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -4.22! C(o=-5!,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= -0.0241 K(o=-0.024,f=-0.97) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 52 THR OG1 : rot -75:sc= 0.361 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 66 SER OG : rot 150:sc= 0.787 USER MOD Single : A 69 TYR OH : rot -50:sc= 0.925 USER MOD Single : A 73 THR OG1 : rot 13:sc= 0.439! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 82 THR OG1 : rot 103:sc= 1.04 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= -0.065 X(o=-0.065,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.338 4.419 2.234 1.00 0.00 N ATOM 98 CA VAL A 10 11.570 3.207 1.977 1.00 0.00 C ATOM 99 C VAL A 10 11.384 2.393 3.253 1.00 0.00 C ATOM 100 O VAL A 10 12.222 1.561 3.597 1.00 0.00 O ATOM 101 CB VAL A 10 12.250 2.326 0.913 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.469 1.037 0.709 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.393 3.086 -0.396 1.00 0.00 C ATOM 0 HA VAL A 10 10.595 3.523 1.606 1.00 0.00 H new ATOM 0 HB VAL A 10 13.248 2.066 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.964 0.427 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.425 0.486 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.457 1.273 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.876 2.448 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.407 3.378 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.999 3.977 -0.235 1.00 0.00 H new ATOM 113 N GLU A 11 10.279 2.640 3.950 1.00 0.00 N ATOM 114 CA GLU A 11 9.984 1.929 5.189 1.00 0.00 C ATOM 115 C GLU A 11 9.852 0.430 4.937 1.00 0.00 C ATOM 116 O GLU A 11 8.952 -0.014 4.224 1.00 0.00 O ATOM 117 CB GLU A 11 8.697 2.467 5.817 1.00 0.00 C ATOM 118 CG GLU A 11 8.647 2.315 7.328 1.00 0.00 C ATOM 119 CD GLU A 11 7.641 3.246 7.976 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.425 3.032 7.785 1.00 0.00 O ATOM 121 OE2 GLU A 11 8.069 4.189 8.674 1.00 0.00 O ATOM 0 H GLU A 11 9.574 3.326 3.678 1.00 0.00 H new ATOM 0 HA GLU A 11 10.812 2.093 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.592 3.522 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.845 1.947 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.395 1.284 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.636 2.511 7.742 1.00 0.00 H new ATOM 128 N SER A 12 10.756 -0.345 5.528 1.00 0.00 N ATOM 129 CA SER A 12 10.745 -1.794 5.365 1.00 0.00 C ATOM 130 C SER A 12 9.783 -2.444 6.356 1.00 0.00 C ATOM 131 O SER A 12 9.557 -1.927 7.450 1.00 0.00 O ATOM 132 CB SER A 12 12.153 -2.362 5.557 1.00 0.00 C ATOM 133 OG SER A 12 12.105 -3.724 5.945 1.00 0.00 O ATOM 0 H SER A 12 11.505 0.007 6.124 1.00 0.00 H new ATOM 0 HA SER A 12 10.406 -2.018 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.717 -2.265 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.682 -1.783 6.314 1.00 0.00 H new ATOM 0 HG SER A 12 13.017 -4.064 6.060 1.00 0.00 H new ATOM 139 N PHE A 13 9.220 -3.582 5.963 1.00 0.00 N ATOM 140 CA PHE A 13 8.281 -4.304 6.815 1.00 0.00 C ATOM 141 C PHE A 13 8.451 -5.812 6.655 1.00 0.00 C ATOM 142 O PHE A 13 9.030 -6.283 5.675 1.00 0.00 O ATOM 143 CB PHE A 13 6.843 -3.903 6.480 1.00 0.00 C ATOM 144 CG PHE A 13 6.420 -2.607 7.110 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.739 -1.396 6.516 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.702 -2.599 8.295 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.351 -0.202 7.094 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.311 -1.408 8.877 1.00 0.00 C ATOM 149 CZ PHE A 13 5.636 -0.208 8.276 1.00 0.00 C ATOM 0 H PHE A 13 9.397 -4.024 5.061 1.00 0.00 H new ATOM 0 HA PHE A 13 8.492 -4.040 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.739 -3.823 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.168 -4.694 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.297 -1.385 5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.445 -3.535 8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.607 0.735 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.752 -1.416 9.801 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.332 0.724 8.729 1.00 0.00 H new ATOM 159 N LEU A 14 7.944 -6.564 7.625 1.00 0.00 N ATOM 160 CA LEU A 14 8.039 -8.020 7.595 1.00 0.00 C ATOM 161 C LEU A 14 6.851 -8.658 8.307 1.00 0.00 C ATOM 162 O LEU A 14 6.564 -8.343 9.462 1.00 0.00 O ATOM 163 CB LEU A 14 9.346 -8.479 8.244 1.00 0.00 C ATOM 164 CG LEU A 14 9.707 -9.952 8.055 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.605 -10.847 8.601 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.964 -10.254 6.586 1.00 0.00 C ATOM 0 H LEU A 14 7.463 -6.190 8.443 1.00 0.00 H new ATOM 0 HA LEU A 14 8.027 -8.339 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.159 -7.872 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.289 -8.274 9.313 1.00 0.00 H new ATOM 0 HG LEU A 14 10.621 -10.156 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.880 -11.892 8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.470 -10.650 9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.674 -10.641 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.220 -11.307 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.068 -10.032 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.789 -9.639 6.227 1.00 0.00 H new ATOM 178 N VAL A 15 6.165 -9.560 7.612 1.00 0.00 N ATOM 179 CA VAL A 15 5.011 -10.246 8.179 1.00 0.00 C ATOM 180 C VAL A 15 4.886 -11.661 7.626 1.00 0.00 C ATOM 181 O VAL A 15 5.747 -12.125 6.877 1.00 0.00 O ATOM 182 CB VAL A 15 3.706 -9.478 7.896 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.748 -8.099 8.536 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.466 -9.372 6.397 1.00 0.00 C ATOM 0 H VAL A 15 6.389 -9.832 6.655 1.00 0.00 H new ATOM 0 HA VAL A 15 5.169 -10.293 9.256 1.00 0.00 H new ATOM 0 HB VAL A 15 2.876 -10.031 8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.818 -7.572 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.871 -8.202 9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.586 -7.534 8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.540 -8.827 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.297 -8.842 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.389 -10.372 5.969 1.00 0.00 H new ATOM 194 N HIS A 16 3.807 -12.343 7.998 1.00 0.00 N ATOM 195 CA HIS A 16 3.568 -13.706 7.537 1.00 0.00 C ATOM 196 C HIS A 16 2.125 -13.876 7.071 1.00 0.00 C ATOM 197 O HIS A 16 1.277 -13.006 7.267 1.00 0.00 O ATOM 198 CB HIS A 16 3.877 -14.705 8.652 1.00 0.00 C ATOM 199 CG HIS A 16 2.658 -15.369 9.216 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.447 -14.864 9.546 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.601 -16.717 9.504 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.687 -15.904 10.022 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.407 -17.011 9.986 1.00 0.00 N flip ATOM 0 H HIS A 16 3.085 -11.974 8.617 1.00 0.00 H new ATOM 0 HA HIS A 16 4.229 -13.899 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.552 -15.469 8.267 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.404 -14.189 9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.407 -17.421 9.358 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.333 -15.829 10.369 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.094 -17.936 10.281 1.00 0.00 H new ATOM 212 N PRO A 17 1.839 -15.023 6.437 1.00 0.00 N ATOM 213 CA PRO A 17 0.500 -15.335 5.929 1.00 0.00 C ATOM 214 C PRO A 17 -0.500 -15.591 7.051 1.00 0.00 C ATOM 215 O PRO A 17 -0.616 -16.710 7.548 1.00 0.00 O ATOM 216 CB PRO A 17 0.719 -16.607 5.106 1.00 0.00 C ATOM 217 CG PRO A 17 1.930 -17.238 5.701 1.00 0.00 C ATOM 218 CD PRO A 17 2.802 -16.105 6.167 1.00 0.00 C ATOM 0 HA PRO A 17 0.079 -14.509 5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.143 -17.271 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.870 -16.375 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.662 -17.891 6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.450 -17.854 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.366 -16.373 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.527 -15.817 5.406 1.00 0.00 H new ATOM 226 N GLY A 18 -1.222 -14.546 7.445 1.00 0.00 N ATOM 227 CA GLY A 18 -2.204 -14.680 8.505 1.00 0.00 C ATOM 228 C GLY A 18 -2.145 -13.536 9.497 1.00 0.00 C ATOM 229 O GLY A 18 -2.989 -13.434 10.388 1.00 0.00 O ATOM 0 H GLY A 18 -1.144 -13.609 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.202 -14.727 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.041 -15.621 9.030 1.00 0.00 H new ATOM 233 N ASP A 19 -1.146 -12.673 9.345 1.00 0.00 N ATOM 234 CA ASP A 19 -0.980 -11.530 10.235 1.00 0.00 C ATOM 235 C ASP A 19 -1.742 -10.317 9.710 1.00 0.00 C ATOM 236 O ASP A 19 -2.478 -10.411 8.727 1.00 0.00 O ATOM 237 CB ASP A 19 0.503 -11.189 10.390 1.00 0.00 C ATOM 238 CG ASP A 19 1.152 -11.936 11.539 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.539 -12.902 12.040 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.273 -11.556 11.935 1.00 0.00 O ATOM 0 H ASP A 19 -0.439 -12.744 8.613 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.387 -11.798 11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.026 -11.427 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.611 -10.116 10.551 1.00 0.00 H new ATOM 245 N LEU A 20 -1.561 -9.180 10.372 1.00 0.00 N ATOM 246 CA LEU A 20 -2.232 -7.948 9.973 1.00 0.00 C ATOM 247 C LEU A 20 -1.234 -6.942 9.408 1.00 0.00 C ATOM 248 O LEU A 20 -0.439 -6.358 10.147 1.00 0.00 O ATOM 249 CB LEU A 20 -2.970 -7.336 11.165 1.00 0.00 C ATOM 250 CG LEU A 20 -3.811 -6.094 10.869 1.00 0.00 C ATOM 251 CD1 LEU A 20 -5.018 -6.457 10.016 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.252 -5.427 12.164 1.00 0.00 C ATOM 0 H LEU A 20 -0.955 -9.085 11.187 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.954 -8.193 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.622 -8.098 11.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.236 -7.079 11.928 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.197 -5.388 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.605 -5.561 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.681 -6.888 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.634 -7.182 10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.849 -4.545 11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.849 -6.127 12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.374 -5.131 12.738 1.00 0.00 H new ATOM 264 N LEU A 21 -1.281 -6.742 8.096 1.00 0.00 N ATOM 265 CA LEU A 21 -0.382 -5.805 7.432 1.00 0.00 C ATOM 266 C LEU A 21 -0.878 -4.371 7.589 1.00 0.00 C ATOM 267 O LEU A 21 -1.800 -3.944 6.894 1.00 0.00 O ATOM 268 CB LEU A 21 -0.255 -6.153 5.948 1.00 0.00 C ATOM 269 CG LEU A 21 0.619 -5.219 5.111 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.065 -5.280 5.579 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.519 -5.574 3.635 1.00 0.00 C ATOM 0 H LEU A 21 -1.932 -7.216 7.471 1.00 0.00 H new ATOM 0 HA LEU A 21 0.598 -5.885 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.146 -7.163 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.254 -6.170 5.513 1.00 0.00 H new ATOM 0 HG LEU A 21 0.258 -4.199 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.673 -4.609 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.122 -4.976 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.438 -6.299 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.148 -4.899 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.853 -6.600 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.516 -5.478 3.307 1.00 0.00 H new ATOM 283 N GLN A 22 -0.257 -3.632 8.503 1.00 0.00 N ATOM 284 CA GLN A 22 -0.636 -2.246 8.749 1.00 0.00 C ATOM 285 C GLN A 22 0.442 -1.290 8.247 1.00 0.00 C ATOM 286 O GLN A 22 1.631 -1.494 8.495 1.00 0.00 O ATOM 287 CB GLN A 22 -0.880 -2.019 10.242 1.00 0.00 C ATOM 288 CG GLN A 22 -2.296 -2.352 10.684 1.00 0.00 C ATOM 289 CD GLN A 22 -2.503 -2.157 12.173 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.547 -1.968 12.925 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.757 -2.200 12.607 1.00 0.00 N ATOM 0 H GLN A 22 0.510 -3.970 9.085 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.558 -2.045 8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.178 -2.626 10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.669 -0.977 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.000 -1.724 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.521 -3.386 10.422 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.519 -2.359 11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.958 -2.074 13.599 1.00 0.00 H new ATOM 300 N LEU A 23 0.019 -0.249 7.540 1.00 0.00 N ATOM 301 CA LEU A 23 0.949 0.739 7.002 1.00 0.00 C ATOM 302 C LEU A 23 0.521 2.153 7.382 1.00 0.00 C ATOM 303 O LEU A 23 -0.621 2.380 7.781 1.00 0.00 O ATOM 304 CB LEU A 23 1.035 0.611 5.480 1.00 0.00 C ATOM 305 CG LEU A 23 1.499 -0.744 4.945 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.346 -0.802 3.433 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.943 -1.010 5.347 1.00 0.00 C ATOM 0 H LEU A 23 -0.961 -0.066 7.325 1.00 0.00 H new ATOM 0 HA LEU A 23 1.932 0.549 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.052 0.827 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.715 1.378 5.109 1.00 0.00 H new ATOM 0 HG LEU A 23 0.871 -1.520 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.681 -1.774 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.299 -0.657 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.948 -0.017 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.257 -1.979 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.584 -0.230 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.023 -1.013 6.434 1.00 0.00 H new ATOM 319 N ARG A 24 1.444 3.100 7.252 1.00 0.00 N ATOM 320 CA ARG A 24 1.162 4.492 7.580 1.00 0.00 C ATOM 321 C ARG A 24 1.795 5.431 6.558 1.00 0.00 C ATOM 322 O ARG A 24 2.911 5.198 6.092 1.00 0.00 O ATOM 323 CB ARG A 24 1.679 4.823 8.981 1.00 0.00 C ATOM 324 CG ARG A 24 0.894 5.923 9.677 1.00 0.00 C ATOM 325 CD ARG A 24 1.229 5.995 11.158 1.00 0.00 C ATOM 326 NE ARG A 24 0.912 4.750 11.852 1.00 0.00 N ATOM 327 CZ ARG A 24 1.764 3.736 11.968 1.00 0.00 C ATOM 328 NH1 ARG A 24 2.977 3.821 11.440 1.00 0.00 N ATOM 329 NH2 ARG A 24 1.402 2.635 12.614 1.00 0.00 N ATOM 0 H ARG A 24 2.394 2.929 6.922 1.00 0.00 H new ATOM 0 HA ARG A 24 0.081 4.632 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.646 3.922 9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.725 5.123 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.113 6.881 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.174 5.744 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.289 6.218 11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.676 6.816 11.615 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.013 4.653 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.259 4.666 10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.628 3.041 11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.470 2.566 13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.056 1.857 12.703 1.00 0.00 H new ATOM 343 N CYS A 25 1.075 6.494 6.212 1.00 0.00 N ATOM 344 CA CYS A 25 1.565 7.468 5.245 1.00 0.00 C ATOM 345 C CYS A 25 1.832 8.813 5.915 1.00 0.00 C ATOM 346 O CYS A 25 0.948 9.388 6.549 1.00 0.00 O ATOM 347 CB CYS A 25 0.554 7.643 4.110 1.00 0.00 C ATOM 348 SG CYS A 25 1.006 8.931 2.904 1.00 0.00 S ATOM 0 H CYS A 25 0.150 6.702 6.588 1.00 0.00 H new ATOM 0 HA CYS A 25 2.503 7.095 4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.443 6.693 3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.418 7.886 4.538 1.00 0.00 H new ATOM 353 N ARG A 26 3.057 9.307 5.768 1.00 0.00 N ATOM 354 CA ARG A 26 3.442 10.583 6.360 1.00 0.00 C ATOM 355 C ARG A 26 2.723 11.740 5.671 1.00 0.00 C ATOM 356 O ARG A 26 2.977 12.035 4.502 1.00 0.00 O ATOM 357 CB ARG A 26 4.956 10.779 6.262 1.00 0.00 C ATOM 358 CG ARG A 26 5.727 10.140 7.406 1.00 0.00 C ATOM 359 CD ARG A 26 7.227 10.334 7.242 1.00 0.00 C ATOM 360 NE ARG A 26 7.636 11.705 7.533 1.00 0.00 N ATOM 361 CZ ARG A 26 7.617 12.684 6.635 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.210 12.443 5.396 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.005 13.906 6.976 1.00 0.00 N ATOM 0 H ARG A 26 3.800 8.844 5.244 1.00 0.00 H new ATOM 0 HA ARG A 26 3.152 10.570 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.308 10.361 5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.175 11.846 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.404 10.575 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.499 9.075 7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.756 9.649 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.516 10.078 6.223 1.00 0.00 H new ATOM 0 HE ARG A 26 7.954 11.923 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.911 11.505 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.196 13.196 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.318 14.095 7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.990 14.657 6.286 1.00 0.00 H new ATOM 477 N SER A 33 -5.188 15.391 -0.005 1.00 0.00 N ATOM 478 CA SER A 33 -5.640 14.039 -0.313 1.00 0.00 C ATOM 479 C SER A 33 -4.480 13.050 -0.247 1.00 0.00 C ATOM 480 O SER A 33 -3.342 13.430 0.030 1.00 0.00 O ATOM 481 CB SER A 33 -6.282 13.997 -1.701 1.00 0.00 C ATOM 482 OG SER A 33 -7.288 13.001 -1.767 1.00 0.00 O ATOM 0 HA SER A 33 -6.382 13.752 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.713 14.970 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.518 13.797 -2.453 1.00 0.00 H new ATOM 0 HG SER A 33 -7.684 12.995 -2.663 1.00 0.00 H new ATOM 488 N ILE A 34 -4.777 11.781 -0.503 1.00 0.00 N ATOM 489 CA ILE A 34 -3.760 10.737 -0.473 1.00 0.00 C ATOM 490 C ILE A 34 -4.018 9.688 -1.550 1.00 0.00 C ATOM 491 O ILE A 34 -5.163 9.332 -1.821 1.00 0.00 O ATOM 492 CB ILE A 34 -3.704 10.044 0.901 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.733 11.084 2.023 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.459 9.177 1.006 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.012 10.494 3.387 1.00 0.00 C ATOM 0 H ILE A 34 -5.714 11.450 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.803 11.223 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.579 9.402 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.775 11.604 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.495 11.830 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.433 8.694 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.478 8.417 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.572 9.798 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.018 11.289 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.983 9.998 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.237 9.769 3.635 1.00 0.00 H new ATOM 507 N ASN A 35 -2.943 9.196 -2.158 1.00 0.00 N ATOM 508 CA ASN A 35 -3.052 8.186 -3.204 1.00 0.00 C ATOM 509 C ASN A 35 -2.209 6.961 -2.867 1.00 0.00 C ATOM 510 O ASN A 35 -0.979 7.026 -2.851 1.00 0.00 O ATOM 511 CB ASN A 35 -2.614 8.767 -4.550 1.00 0.00 C ATOM 512 CG ASN A 35 -3.322 8.112 -5.720 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.469 7.678 -5.603 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.641 8.037 -6.857 1.00 0.00 N ATOM 0 H ASN A 35 -1.987 9.480 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.096 7.879 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.813 9.839 -4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.537 8.641 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.066 7.607 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.693 8.410 -6.909 1.00 0.00 H new ATOM 521 N TRP A 36 -2.877 5.845 -2.600 1.00 0.00 N ATOM 522 CA TRP A 36 -2.189 4.604 -2.264 1.00 0.00 C ATOM 523 C TRP A 36 -1.831 3.821 -3.523 1.00 0.00 C ATOM 524 O TRP A 36 -2.671 3.623 -4.402 1.00 0.00 O ATOM 525 CB TRP A 36 -3.060 3.746 -1.345 1.00 0.00 C ATOM 526 CG TRP A 36 -2.966 4.137 0.099 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.899 4.821 0.825 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.878 3.870 0.990 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.456 4.994 2.114 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.219 4.419 2.241 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.649 3.218 0.854 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.376 4.337 3.346 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.187 3.137 1.951 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.179 3.693 3.184 1.00 0.00 C ATOM 0 H TRP A 36 -3.894 5.774 -2.610 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.266 4.859 -1.743 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.099 3.821 -1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.768 2.701 -1.451 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.845 5.174 0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.966 5.473 2.856 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.358 2.785 -0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.656 4.766 4.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.139 2.636 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.496 3.612 4.023 1.00 0.00 H new ATOM 545 N LEU A 37 -0.582 3.378 -3.604 1.00 0.00 N ATOM 546 CA LEU A 37 -0.114 2.616 -4.756 1.00 0.00 C ATOM 547 C LEU A 37 0.620 1.354 -4.313 1.00 0.00 C ATOM 548 O LEU A 37 0.997 1.220 -3.149 1.00 0.00 O ATOM 549 CB LEU A 37 0.806 3.478 -5.623 1.00 0.00 C ATOM 550 CG LEU A 37 0.149 4.667 -6.324 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.144 5.804 -6.492 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.416 4.245 -7.673 1.00 0.00 C ATOM 0 H LEU A 37 0.125 3.533 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.984 2.321 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.615 3.853 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.260 2.840 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.674 5.021 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.658 6.641 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.500 6.124 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.988 5.463 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.880 5.104 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.389 3.864 -8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.162 3.464 -7.527 1.00 0.00 H new ATOM 564 N ARG A 38 0.822 0.433 -5.250 1.00 0.00 N ATOM 565 CA ARG A 38 1.512 -0.817 -4.957 1.00 0.00 C ATOM 566 C ARG A 38 2.179 -1.377 -6.210 1.00 0.00 C ATOM 567 O ARG A 38 1.505 -1.743 -7.173 1.00 0.00 O ATOM 568 CB ARG A 38 0.532 -1.843 -4.386 1.00 0.00 C ATOM 569 CG ARG A 38 1.191 -3.148 -3.968 1.00 0.00 C ATOM 570 CD ARG A 38 0.289 -3.958 -3.050 1.00 0.00 C ATOM 571 NE ARG A 38 -0.660 -4.778 -3.799 1.00 0.00 N ATOM 572 CZ ARG A 38 -0.300 -5.782 -4.590 1.00 0.00 C ATOM 573 NH1 ARG A 38 0.982 -6.089 -4.735 1.00 0.00 N ATOM 574 NH2 ARG A 38 -1.222 -6.481 -5.238 1.00 0.00 N ATOM 0 H ARG A 38 0.517 0.529 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 38 2.285 -0.611 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.026 -1.409 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.234 -2.055 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.432 -3.735 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.132 -2.936 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.900 -4.599 -2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.257 -3.283 -2.390 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.654 -4.568 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.694 -5.553 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.256 -6.861 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.209 -6.248 -5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.944 -7.252 -5.845 1.00 0.00 H new ATOM 588 N ASP A 39 3.506 -1.439 -6.189 1.00 0.00 N ATOM 589 CA ASP A 39 4.265 -1.954 -7.323 1.00 0.00 C ATOM 590 C ASP A 39 4.021 -1.109 -8.569 1.00 0.00 C ATOM 591 O ASP A 39 4.164 -1.587 -9.694 1.00 0.00 O ATOM 592 CB ASP A 39 3.886 -3.410 -7.598 1.00 0.00 C ATOM 593 CG ASP A 39 5.035 -4.206 -8.187 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.722 -3.678 -9.085 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.246 -5.356 -7.749 1.00 0.00 O ATOM 0 H ASP A 39 4.078 -1.139 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 39 5.325 -1.903 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.561 -3.879 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.039 -3.439 -8.283 1.00 0.00 H new ATOM 600 N GLY A 40 3.651 0.151 -8.361 1.00 0.00 N ATOM 601 CA GLY A 40 3.392 1.043 -9.476 1.00 0.00 C ATOM 602 C GLY A 40 1.973 0.924 -9.996 1.00 0.00 C ATOM 603 O GLY A 40 1.747 0.897 -11.206 1.00 0.00 O ATOM 0 H GLY A 40 3.526 0.570 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.577 2.071 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.091 0.823 -10.283 1.00 0.00 H new ATOM 607 N VAL A 41 1.012 0.851 -9.080 1.00 0.00 N ATOM 608 CA VAL A 41 -0.392 0.734 -9.452 1.00 0.00 C ATOM 609 C VAL A 41 -1.302 1.158 -8.304 1.00 0.00 C ATOM 610 O VAL A 41 -0.964 0.981 -7.134 1.00 0.00 O ATOM 611 CB VAL A 41 -0.745 -0.707 -9.867 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.882 -1.597 -8.641 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.020 -0.725 -10.695 1.00 0.00 C ATOM 0 H VAL A 41 1.181 0.871 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.550 1.398 -10.302 1.00 0.00 H new ATOM 0 HB VAL A 41 0.065 -1.099 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.132 -2.611 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.060 -1.608 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.673 -1.211 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.255 -1.751 -10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.841 -0.315 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.880 -0.123 -11.592 1.00 0.00 H new ATOM 623 N GLN A 42 -2.458 1.718 -8.648 1.00 0.00 N ATOM 624 CA GLN A 42 -3.416 2.167 -7.646 1.00 0.00 C ATOM 625 C GLN A 42 -3.815 1.021 -6.721 1.00 0.00 C ATOM 626 O GLN A 42 -4.235 -0.042 -7.179 1.00 0.00 O ATOM 627 CB GLN A 42 -4.659 2.747 -8.323 1.00 0.00 C ATOM 628 CG GLN A 42 -5.762 3.126 -7.347 1.00 0.00 C ATOM 629 CD GLN A 42 -5.649 4.560 -6.867 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.509 5.393 -7.155 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.585 4.855 -6.130 1.00 0.00 N ATOM 0 H GLN A 42 -2.753 1.871 -9.612 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.940 2.944 -7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.373 3.629 -8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.049 2.019 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.731 2.982 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.728 2.456 -6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.897 4.133 -5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.455 5.804 -5.778 1.00 0.00 H new ATOM 640 N LEU A 43 -3.680 1.245 -5.419 1.00 0.00 N ATOM 641 CA LEU A 43 -4.025 0.231 -4.429 1.00 0.00 C ATOM 642 C LEU A 43 -5.533 0.180 -4.205 1.00 0.00 C ATOM 643 O LEU A 43 -6.229 1.181 -4.370 1.00 0.00 O ATOM 644 CB LEU A 43 -3.311 0.516 -3.106 1.00 0.00 C ATOM 645 CG LEU A 43 -3.452 -0.553 -2.023 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.674 -1.804 -2.403 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.979 -0.017 -0.680 1.00 0.00 C ATOM 0 H LEU A 43 -3.334 2.120 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.699 -0.737 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.250 0.658 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.687 1.459 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.506 -0.817 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.786 -2.554 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.059 -2.200 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.619 -1.555 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.087 -0.792 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.932 0.276 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.579 0.849 -0.402 1.00 0.00 H new ATOM 659 N ALA A 44 -6.030 -0.993 -3.825 1.00 0.00 N ATOM 660 CA ALA A 44 -7.455 -1.173 -3.574 1.00 0.00 C ATOM 661 C ALA A 44 -7.692 -1.888 -2.248 1.00 0.00 C ATOM 662 O ALA A 44 -6.811 -2.580 -1.740 1.00 0.00 O ATOM 663 CB ALA A 44 -8.098 -1.947 -4.716 1.00 0.00 C ATOM 0 H ALA A 44 -5.467 -1.832 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.916 -0.187 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.162 -2.074 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.967 -1.396 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.626 -2.925 -4.804 1.00 0.00 H new ATOM 669 N GLU A 45 -8.888 -1.714 -1.694 1.00 0.00 N ATOM 670 CA GLU A 45 -9.239 -2.342 -0.425 1.00 0.00 C ATOM 671 C GLU A 45 -10.134 -3.558 -0.649 1.00 0.00 C ATOM 672 O GLU A 45 -10.735 -3.712 -1.712 1.00 0.00 O ATOM 673 CB GLU A 45 -9.945 -1.337 0.488 1.00 0.00 C ATOM 674 CG GLU A 45 -9.504 0.100 0.268 1.00 0.00 C ATOM 675 CD GLU A 45 -10.484 1.105 0.841 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.075 0.819 1.903 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.659 2.178 0.227 1.00 0.00 O ATOM 0 H GLU A 45 -9.629 -1.145 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.318 -2.674 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.021 -1.407 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.759 -1.610 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.526 0.250 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.387 0.281 -0.801 1.00 0.00 H new ATOM 684 N SER A 46 -10.215 -4.419 0.360 1.00 0.00 N ATOM 685 CA SER A 46 -11.032 -5.624 0.272 1.00 0.00 C ATOM 686 C SER A 46 -11.354 -6.164 1.662 1.00 0.00 C ATOM 687 O SER A 46 -10.949 -5.590 2.672 1.00 0.00 O ATOM 688 CB SER A 46 -10.312 -6.695 -0.550 1.00 0.00 C ATOM 689 OG SER A 46 -11.227 -7.656 -1.048 1.00 0.00 O ATOM 0 H SER A 46 -9.725 -4.305 1.247 1.00 0.00 H new ATOM 0 HA SER A 46 -11.967 -5.364 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.784 -6.227 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.561 -7.188 0.067 1.00 0.00 H new ATOM 0 HG SER A 46 -10.743 -8.328 -1.571 1.00 0.00 H new ATOM 695 N ASN A 47 -12.086 -7.273 1.705 1.00 0.00 N ATOM 696 CA ASN A 47 -12.464 -7.892 2.970 1.00 0.00 C ATOM 697 C ASN A 47 -11.305 -7.852 3.962 1.00 0.00 C ATOM 698 O ASN A 47 -11.510 -7.692 5.165 1.00 0.00 O ATOM 699 CB ASN A 47 -12.906 -9.339 2.742 1.00 0.00 C ATOM 700 CG ASN A 47 -14.235 -9.430 2.018 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.390 -8.908 0.914 1.00 0.00 O ATOM 702 ND2 ASN A 47 -15.202 -10.095 2.639 1.00 0.00 N ATOM 0 H ASN A 47 -12.429 -7.761 0.878 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.297 -7.327 3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.144 -9.862 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.983 -9.848 3.703 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.118 -10.189 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.028 -10.512 3.554 1.00 0.00 H new ATOM 709 N ARG A 48 -10.088 -7.998 3.448 1.00 0.00 N ATOM 710 CA ARG A 48 -8.897 -7.980 4.289 1.00 0.00 C ATOM 711 C ARG A 48 -8.233 -6.606 4.260 1.00 0.00 C ATOM 712 O ARG A 48 -8.012 -5.989 5.302 1.00 0.00 O ATOM 713 CB ARG A 48 -7.904 -9.048 3.826 1.00 0.00 C ATOM 714 CG ARG A 48 -8.429 -10.468 3.965 1.00 0.00 C ATOM 715 CD ARG A 48 -7.458 -11.480 3.379 1.00 0.00 C ATOM 716 NE ARG A 48 -7.410 -11.411 1.920 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.466 -11.992 1.188 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.497 -12.682 1.774 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.491 -11.884 -0.134 1.00 0.00 N ATOM 0 H ARG A 48 -9.901 -8.130 2.454 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.202 -8.196 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.647 -8.865 2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.984 -8.951 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.599 -10.693 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.392 -10.552 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.461 -11.303 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.752 -12.484 3.685 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.141 -10.888 1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.475 -12.768 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.774 -13.127 1.209 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.235 -11.355 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.766 -12.330 -0.696 1.00 0.00 H new ATOM 733 N THR A 49 -7.915 -6.133 3.059 1.00 0.00 N ATOM 734 CA THR A 49 -7.275 -4.834 2.894 1.00 0.00 C ATOM 735 C THR A 49 -8.221 -3.702 3.275 1.00 0.00 C ATOM 736 O THR A 49 -9.417 -3.756 2.984 1.00 0.00 O ATOM 737 CB THR A 49 -6.797 -4.624 1.444 1.00 0.00 C ATOM 738 OG1 THR A 49 -6.078 -5.777 0.993 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.909 -3.393 1.341 1.00 0.00 C ATOM 0 H THR A 49 -8.090 -6.631 2.186 1.00 0.00 H new ATOM 0 HA THR A 49 -6.412 -4.820 3.559 1.00 0.00 H new ATOM 0 HB THR A 49 -7.673 -4.474 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.779 -5.636 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.583 -3.265 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.469 -2.513 1.657 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.037 -3.518 1.983 1.00 0.00 H new ATOM 747 N ARG A 50 -7.680 -2.678 3.925 1.00 0.00 N ATOM 748 CA ARG A 50 -8.477 -1.532 4.346 1.00 0.00 C ATOM 749 C ARG A 50 -7.664 -0.244 4.264 1.00 0.00 C ATOM 750 O ARG A 50 -6.694 -0.063 5.000 1.00 0.00 O ATOM 751 CB ARG A 50 -8.987 -1.736 5.774 1.00 0.00 C ATOM 752 CG ARG A 50 -9.650 -0.503 6.366 1.00 0.00 C ATOM 753 CD ARG A 50 -11.141 -0.475 6.069 1.00 0.00 C ATOM 754 NE ARG A 50 -11.895 0.212 7.114 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.117 0.701 6.938 1.00 0.00 C ATOM 756 NH1 ARG A 50 -13.721 0.578 5.764 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.739 1.313 7.938 1.00 0.00 N ATOM 0 H ARG A 50 -6.692 -2.618 4.172 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.329 -1.446 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.700 -2.561 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.152 -2.030 6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.492 -0.486 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.180 0.394 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.311 0.021 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.510 -1.496 5.968 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.459 0.322 8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.247 0.107 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.660 0.954 5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.278 1.408 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.678 1.688 7.801 1.00 0.00 H new ATOM 771 N ILE A 51 -8.066 0.647 3.364 1.00 0.00 N ATOM 772 CA ILE A 51 -7.375 1.918 3.186 1.00 0.00 C ATOM 773 C ILE A 51 -8.133 3.055 3.863 1.00 0.00 C ATOM 774 O ILE A 51 -9.147 3.532 3.352 1.00 0.00 O ATOM 775 CB ILE A 51 -7.191 2.255 1.695 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.345 1.182 1.008 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.549 3.625 1.537 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.533 1.133 -0.493 1.00 0.00 C ATOM 0 H ILE A 51 -8.867 0.512 2.747 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.394 1.811 3.649 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.171 2.278 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.293 1.364 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.595 0.208 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.425 3.849 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.187 4.381 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.574 3.628 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.903 0.349 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.577 0.921 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.255 2.094 -0.926 1.00 0.00 H new ATOM 790 N THR A 52 -7.634 3.488 5.017 1.00 0.00 N ATOM 791 CA THR A 52 -8.263 4.569 5.764 1.00 0.00 C ATOM 792 C THR A 52 -7.730 5.927 5.320 1.00 0.00 C ATOM 793 O THR A 52 -7.838 6.914 6.046 1.00 0.00 O ATOM 794 CB THR A 52 -8.035 4.412 7.280 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.649 4.166 7.544 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.873 3.271 7.837 1.00 0.00 C ATOM 0 H THR A 52 -6.795 3.106 5.454 1.00 0.00 H new ATOM 0 HA THR A 52 -9.332 4.515 5.557 1.00 0.00 H new ATOM 0 HB THR A 52 -8.339 5.338 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.428 3.244 7.297 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.696 3.179 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.929 3.475 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.595 2.340 7.342 1.00 0.00 H new ATOM 804 N GLY A 53 -7.154 5.969 4.122 1.00 0.00 N ATOM 805 CA GLY A 53 -6.613 7.211 3.602 1.00 0.00 C ATOM 806 C GLY A 53 -5.103 7.277 3.713 1.00 0.00 C ATOM 807 O GLY A 53 -4.400 7.273 2.704 1.00 0.00 O ATOM 0 H GLY A 53 -7.053 5.165 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.902 7.320 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.051 8.049 4.144 1.00 0.00 H new ATOM 811 N GLU A 54 -4.604 7.340 4.944 1.00 0.00 N ATOM 812 CA GLU A 54 -3.167 7.411 5.182 1.00 0.00 C ATOM 813 C GLU A 54 -2.680 6.178 5.937 1.00 0.00 C ATOM 814 O GLU A 54 -1.499 6.066 6.267 1.00 0.00 O ATOM 815 CB GLU A 54 -2.819 8.675 5.970 1.00 0.00 C ATOM 816 CG GLU A 54 -2.843 8.480 7.476 1.00 0.00 C ATOM 817 CD GLU A 54 -3.152 9.761 8.226 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.349 10.067 8.411 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.197 10.457 8.629 1.00 0.00 O ATOM 0 H GLU A 54 -5.173 7.343 5.791 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.666 7.446 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.828 9.017 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.522 9.464 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.589 7.727 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.877 8.095 7.804 1.00 0.00 H new ATOM 826 N GLU A 55 -3.598 5.255 6.208 1.00 0.00 N ATOM 827 CA GLU A 55 -3.262 4.031 6.926 1.00 0.00 C ATOM 828 C GLU A 55 -3.943 2.823 6.289 1.00 0.00 C ATOM 829 O GLU A 55 -5.166 2.786 6.152 1.00 0.00 O ATOM 830 CB GLU A 55 -3.672 4.146 8.395 1.00 0.00 C ATOM 831 CG GLU A 55 -2.598 4.753 9.282 1.00 0.00 C ATOM 832 CD GLU A 55 -3.102 5.070 10.676 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.263 5.513 10.800 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.336 4.875 11.643 1.00 0.00 O ATOM 0 H GLU A 55 -4.580 5.332 5.941 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.183 3.891 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.575 4.753 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.925 3.155 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.757 4.063 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.223 5.666 8.819 1.00 0.00 H new ATOM 841 N VAL A 56 -3.141 1.836 5.901 1.00 0.00 N ATOM 842 CA VAL A 56 -3.665 0.625 5.280 1.00 0.00 C ATOM 843 C VAL A 56 -3.661 -0.542 6.260 1.00 0.00 C ATOM 844 O VAL A 56 -2.825 -0.605 7.161 1.00 0.00 O ATOM 845 CB VAL A 56 -2.849 0.237 4.033 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.261 -1.139 3.532 1.00 0.00 C ATOM 847 CG2 VAL A 56 -3.016 1.282 2.940 1.00 0.00 C ATOM 0 H VAL A 56 -2.127 1.851 6.006 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.691 0.841 4.982 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.795 0.197 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.674 -1.396 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.085 -1.878 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.320 -1.130 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.432 0.991 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.068 1.356 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.667 2.248 3.304 1.00 0.00 H new ATOM 857 N GLU A 57 -4.601 -1.464 6.078 1.00 0.00 N ATOM 858 CA GLU A 57 -4.705 -2.630 6.948 1.00 0.00 C ATOM 859 C GLU A 57 -5.230 -3.838 6.177 1.00 0.00 C ATOM 860 O GLU A 57 -6.334 -3.810 5.633 1.00 0.00 O ATOM 861 CB GLU A 57 -5.624 -2.329 8.133 1.00 0.00 C ATOM 862 CG GLU A 57 -5.978 -3.556 8.957 1.00 0.00 C ATOM 863 CD GLU A 57 -6.927 -3.240 10.096 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.720 -2.212 10.774 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.877 -4.022 10.310 1.00 0.00 O ATOM 0 H GLU A 57 -5.301 -1.426 5.337 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.708 -2.864 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.142 -1.595 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.542 -1.873 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.431 -4.306 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.065 -3.994 9.361 1.00 0.00 H new ATOM 872 N VAL A 58 -4.431 -4.899 6.136 1.00 0.00 N ATOM 873 CA VAL A 58 -4.814 -6.118 5.434 1.00 0.00 C ATOM 874 C VAL A 58 -4.807 -7.319 6.373 1.00 0.00 C ATOM 875 O VAL A 58 -3.747 -7.824 6.741 1.00 0.00 O ATOM 876 CB VAL A 58 -3.872 -6.402 4.248 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.460 -7.476 3.345 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.601 -5.126 3.466 1.00 0.00 C ATOM 0 H VAL A 58 -3.514 -4.939 6.581 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.825 -5.962 5.057 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.923 -6.769 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.781 -7.663 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.598 -8.395 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.423 -7.140 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.934 -5.345 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.541 -4.727 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.134 -4.390 4.121 1.00 0.00 H new ATOM 888 N GLN A 59 -5.997 -7.771 6.755 1.00 0.00 N ATOM 889 CA GLN A 59 -6.127 -8.913 7.652 1.00 0.00 C ATOM 890 C GLN A 59 -5.726 -10.206 6.950 1.00 0.00 C ATOM 891 O GLN A 59 -5.981 -10.381 5.758 1.00 0.00 O ATOM 892 CB GLN A 59 -7.564 -9.023 8.166 1.00 0.00 C ATOM 893 CG GLN A 59 -8.001 -7.835 9.008 1.00 0.00 C ATOM 894 CD GLN A 59 -9.432 -7.959 9.493 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.798 -8.943 10.138 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.251 -6.960 9.186 1.00 0.00 N ATOM 0 H GLN A 59 -6.884 -7.364 6.458 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.456 -8.757 8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.239 -9.123 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.661 -9.933 8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.337 -7.740 9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.898 -6.922 8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.906 -6.164 8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.225 -6.989 9.486 1.00 0.00 H new ATOM 905 N ASP A 60 -5.096 -11.107 7.695 1.00 0.00 N ATOM 906 CA ASP A 60 -4.660 -12.385 7.143 1.00 0.00 C ATOM 907 C ASP A 60 -3.777 -12.174 5.917 1.00 0.00 C ATOM 908 O ASP A 60 -3.909 -12.879 4.917 1.00 0.00 O ATOM 909 CB ASP A 60 -5.869 -13.245 6.775 1.00 0.00 C ATOM 910 CG ASP A 60 -5.567 -14.729 6.846 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.700 -15.196 6.079 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.200 -15.425 7.669 1.00 0.00 O ATOM 0 H ASP A 60 -4.876 -10.977 8.682 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.076 -12.902 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.695 -13.013 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.198 -12.992 5.767 1.00 0.00 H new ATOM 917 N SER A 61 -2.877 -11.200 6.003 1.00 0.00 N ATOM 918 CA SER A 61 -1.975 -10.893 4.898 1.00 0.00 C ATOM 919 C SER A 61 -1.460 -12.172 4.246 1.00 0.00 C ATOM 920 O SER A 61 -1.556 -13.257 4.819 1.00 0.00 O ATOM 921 CB SER A 61 -0.798 -10.050 5.392 1.00 0.00 C ATOM 922 OG SER A 61 0.101 -10.830 6.161 1.00 0.00 O ATOM 0 H SER A 61 -2.753 -10.610 6.826 1.00 0.00 H new ATOM 0 HA SER A 61 -2.533 -10.325 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.273 -9.619 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.168 -9.219 5.992 1.00 0.00 H new ATOM 0 HG SER A 61 0.845 -10.269 6.463 1.00 0.00 H new ATOM 928 N VAL A 62 -0.914 -12.037 3.042 1.00 0.00 N ATOM 929 CA VAL A 62 -0.382 -13.180 2.310 1.00 0.00 C ATOM 930 C VAL A 62 0.858 -12.794 1.513 1.00 0.00 C ATOM 931 O VAL A 62 1.114 -11.620 1.245 1.00 0.00 O ATOM 932 CB VAL A 62 -1.433 -13.770 1.350 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.232 -14.864 2.041 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.351 -12.675 0.829 1.00 0.00 C ATOM 0 H VAL A 62 -0.828 -11.146 2.552 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.114 -13.933 3.051 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.916 -14.214 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.969 -15.269 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.559 -15.660 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.741 -14.449 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.087 -13.109 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.863 -12.200 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.762 -11.930 0.294 1.00 0.00 H new ATOM 944 N PRO A 63 1.650 -13.805 1.123 1.00 0.00 N ATOM 945 CA PRO A 63 2.877 -13.596 0.350 1.00 0.00 C ATOM 946 C PRO A 63 2.593 -13.139 -1.077 1.00 0.00 C ATOM 947 O PRO A 63 3.510 -12.978 -1.882 1.00 0.00 O ATOM 948 CB PRO A 63 3.534 -14.978 0.348 1.00 0.00 C ATOM 949 CG PRO A 63 2.407 -15.934 0.534 1.00 0.00 C ATOM 950 CD PRO A 63 1.406 -15.229 1.408 1.00 0.00 C ATOM 0 HA PRO A 63 3.501 -12.813 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.061 -15.164 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.267 -15.069 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.965 -16.207 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.751 -16.857 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.384 -15.519 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.559 -15.460 2.462 1.00 0.00 H new ATOM 958 N ALA A 64 1.316 -12.932 -1.384 1.00 0.00 N ATOM 959 CA ALA A 64 0.912 -12.492 -2.713 1.00 0.00 C ATOM 960 C ALA A 64 0.545 -11.011 -2.713 1.00 0.00 C ATOM 961 O ALA A 64 0.480 -10.378 -3.766 1.00 0.00 O ATOM 962 CB ALA A 64 -0.257 -13.327 -3.213 1.00 0.00 C ATOM 0 H ALA A 64 0.544 -13.062 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 64 1.757 -12.630 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.548 -12.987 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.038 -14.375 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.100 -13.218 -2.531 1.00 0.00 H new ATOM 968 N ASP A 65 0.305 -10.467 -1.525 1.00 0.00 N ATOM 969 CA ASP A 65 -0.056 -9.060 -1.388 1.00 0.00 C ATOM 970 C ASP A 65 1.186 -8.199 -1.176 1.00 0.00 C ATOM 971 O ASP A 65 1.156 -6.987 -1.387 1.00 0.00 O ATOM 972 CB ASP A 65 -1.027 -8.872 -0.222 1.00 0.00 C ATOM 973 CG ASP A 65 -2.309 -9.661 -0.403 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.379 -10.469 -1.352 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.243 -9.469 0.404 1.00 0.00 O ATOM 0 H ASP A 65 0.354 -10.978 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.543 -8.743 -2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.542 -9.180 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.267 -7.814 -0.120 1.00 0.00 H new ATOM 980 N SER A 66 2.275 -8.834 -0.757 1.00 0.00 N ATOM 981 CA SER A 66 3.526 -8.126 -0.512 1.00 0.00 C ATOM 982 C SER A 66 3.909 -7.267 -1.713 1.00 0.00 C ATOM 983 O SER A 66 3.353 -7.417 -2.800 1.00 0.00 O ATOM 984 CB SER A 66 4.648 -9.119 -0.203 1.00 0.00 C ATOM 985 OG SER A 66 4.181 -10.176 0.619 1.00 0.00 O ATOM 0 H SER A 66 2.317 -9.838 -0.580 1.00 0.00 H new ATOM 0 HA SER A 66 3.381 -7.473 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.045 -9.525 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.469 -8.602 0.295 1.00 0.00 H new ATOM 0 HG SER A 66 4.691 -10.990 0.426 1.00 0.00 H new ATOM 991 N GLY A 67 4.864 -6.365 -1.508 1.00 0.00 N ATOM 992 CA GLY A 67 5.305 -5.495 -2.582 1.00 0.00 C ATOM 993 C GLY A 67 5.828 -4.166 -2.074 1.00 0.00 C ATOM 994 O GLY A 67 6.210 -4.045 -0.909 1.00 0.00 O ATOM 0 H GLY A 67 5.340 -6.221 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.087 -5.995 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.475 -5.318 -3.266 1.00 0.00 H new ATOM 998 N LEU A 68 5.849 -3.166 -2.949 1.00 0.00 N ATOM 999 CA LEU A 68 6.332 -1.839 -2.583 1.00 0.00 C ATOM 1000 C LEU A 68 5.204 -0.813 -2.647 1.00 0.00 C ATOM 1001 O LEU A 68 4.873 -0.306 -3.718 1.00 0.00 O ATOM 1002 CB LEU A 68 7.474 -1.417 -3.509 1.00 0.00 C ATOM 1003 CG LEU A 68 8.049 -0.021 -3.271 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.867 0.008 -1.989 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.898 0.416 -4.456 1.00 0.00 C ATOM 0 H LEU A 68 5.537 -3.249 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 68 6.701 -1.883 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.282 -2.142 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.120 -1.472 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 68 7.220 0.679 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.268 1.010 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.231 -0.261 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.689 -0.704 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.299 1.412 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.720 -0.286 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.284 0.436 -5.356 1.00 0.00 H new ATOM 1017 N TYR A 69 4.620 -0.512 -1.493 1.00 0.00 N ATOM 1018 CA TYR A 69 3.530 0.453 -1.417 1.00 0.00 C ATOM 1019 C TYR A 69 4.063 1.882 -1.461 1.00 0.00 C ATOM 1020 O TYR A 69 5.110 2.183 -0.888 1.00 0.00 O ATOM 1021 CB TYR A 69 2.719 0.239 -0.138 1.00 0.00 C ATOM 1022 CG TYR A 69 2.035 -1.109 -0.073 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.759 -2.265 0.190 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.665 -1.225 -0.274 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.139 -3.498 0.249 1.00 0.00 C ATOM 1026 CE2 TYR A 69 0.036 -2.453 -0.215 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.777 -3.587 0.046 1.00 0.00 C ATOM 1028 OH TYR A 69 0.156 -4.813 0.106 1.00 0.00 O ATOM 0 H TYR A 69 4.883 -0.922 -0.597 1.00 0.00 H new ATOM 0 HA TYR A 69 2.882 0.299 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.379 0.344 0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.966 1.023 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.825 -2.199 0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.082 -0.339 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.717 -4.387 0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.030 -2.525 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 69 0.640 -5.453 -0.458 1.00 0.00 H new ATOM 1038 N ALA A 70 3.334 2.758 -2.144 1.00 0.00 N ATOM 1039 CA ALA A 70 3.731 4.155 -2.262 1.00 0.00 C ATOM 1040 C ALA A 70 2.531 5.082 -2.096 1.00 0.00 C ATOM 1041 O ALA A 70 1.593 5.049 -2.893 1.00 0.00 O ATOM 1042 CB ALA A 70 4.409 4.401 -3.601 1.00 0.00 C ATOM 0 H ALA A 70 2.465 2.525 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 70 4.440 4.374 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.700 5.449 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.296 3.772 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.718 4.159 -4.409 1.00 0.00 H new ATOM 1048 N CYS A 71 2.567 5.908 -1.056 1.00 0.00 N ATOM 1049 CA CYS A 71 1.483 6.844 -0.784 1.00 0.00 C ATOM 1050 C CYS A 71 1.837 8.245 -1.275 1.00 0.00 C ATOM 1051 O CYS A 71 2.876 8.798 -0.911 1.00 0.00 O ATOM 1052 CB CYS A 71 1.174 6.879 0.714 1.00 0.00 C ATOM 1053 SG CYS A 71 2.271 7.972 1.673 1.00 0.00 S ATOM 0 H CYS A 71 3.336 5.948 -0.387 1.00 0.00 H new ATOM 0 HA CYS A 71 0.599 6.502 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.143 7.203 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.247 5.867 1.113 1.00 0.00 H new ATOM 1058 N VAL A 72 0.967 8.814 -2.102 1.00 0.00 N ATOM 1059 CA VAL A 72 1.187 10.151 -2.642 1.00 0.00 C ATOM 1060 C VAL A 72 0.104 11.117 -2.175 1.00 0.00 C ATOM 1061 O VAL A 72 -1.080 10.923 -2.454 1.00 0.00 O ATOM 1062 CB VAL A 72 1.217 10.137 -4.182 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.676 11.484 -4.719 1.00 0.00 C ATOM 1064 CG2 VAL A 72 2.116 9.018 -4.686 1.00 0.00 C ATOM 0 H VAL A 72 0.103 8.370 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 72 2.155 10.487 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 72 0.207 9.953 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.691 11.455 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.989 12.262 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.678 11.701 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.126 9.022 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.129 9.169 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.738 8.059 -4.330 1.00 0.00 H new ATOM 1074 N THR A 73 0.516 12.161 -1.462 1.00 0.00 N ATOM 1075 CA THR A 73 -0.418 13.158 -0.955 1.00 0.00 C ATOM 1076 C THR A 73 -0.439 14.395 -1.846 1.00 0.00 C ATOM 1077 O THR A 73 0.606 14.967 -2.153 1.00 0.00 O ATOM 1078 CB THR A 73 -0.063 13.580 0.483 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.088 14.432 0.473 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.208 12.363 1.354 1.00 0.00 C ATOM 0 H THR A 73 1.492 12.338 -1.223 1.00 0.00 H new ATOM 0 HA THR A 73 -1.405 12.696 -0.957 1.00 0.00 H new ATOM 0 HB THR A 73 -0.912 14.122 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.268 14.728 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.456 12.687 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.680 11.732 1.383 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.042 11.797 0.939 1.00 0.00 H new ATOM 1088 N SER A 74 -1.635 14.803 -2.256 1.00 0.00 N ATOM 1089 CA SER A 74 -1.792 15.971 -3.115 1.00 0.00 C ATOM 1090 C SER A 74 -1.912 17.244 -2.283 1.00 0.00 C ATOM 1091 O SER A 74 -2.848 17.400 -1.499 1.00 0.00 O ATOM 1092 CB SER A 74 -3.024 15.813 -4.008 1.00 0.00 C ATOM 1093 OG SER A 74 -2.911 16.605 -5.177 1.00 0.00 O ATOM 0 H SER A 74 -2.510 14.342 -2.007 1.00 0.00 H new ATOM 0 HA SER A 74 -0.905 16.051 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.145 14.766 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.918 16.101 -3.455 1.00 0.00 H new ATOM 0 HG SER A 74 -3.710 16.485 -5.732 1.00 0.00 H new ATOM 1153 N ASP A 80 4.041 14.915 -2.007 1.00 0.00 N ATOM 1154 CA ASP A 80 5.007 14.050 -1.337 1.00 0.00 C ATOM 1155 C ASP A 80 4.747 12.585 -1.671 1.00 0.00 C ATOM 1156 O ASP A 80 3.703 12.238 -2.224 1.00 0.00 O ATOM 1157 CB ASP A 80 4.947 14.259 0.177 1.00 0.00 C ATOM 1158 CG ASP A 80 6.290 14.042 0.845 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.314 14.466 0.270 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.318 13.447 1.943 1.00 0.00 O ATOM 0 HA ASP A 80 6.003 14.314 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.599 15.270 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.216 13.574 0.607 1.00 0.00 H new ATOM 1165 N THR A 81 5.705 11.727 -1.333 1.00 0.00 N ATOM 1166 CA THR A 81 5.581 10.299 -1.599 1.00 0.00 C ATOM 1167 C THR A 81 6.299 9.478 -0.534 1.00 0.00 C ATOM 1168 O THR A 81 7.411 9.809 -0.123 1.00 0.00 O ATOM 1169 CB THR A 81 6.151 9.934 -2.983 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.640 10.832 -3.975 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.794 8.503 -3.355 1.00 0.00 C ATOM 0 H THR A 81 6.575 11.996 -0.874 1.00 0.00 H new ATOM 0 HA THR A 81 4.517 10.064 -1.579 1.00 0.00 H new ATOM 0 HB THR A 81 7.237 10.021 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.008 10.595 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.207 8.268 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.209 7.820 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.710 8.394 -3.382 1.00 0.00 H new ATOM 1179 N THR A 82 5.655 8.402 -0.090 1.00 0.00 N ATOM 1180 CA THR A 82 6.232 7.533 0.928 1.00 0.00 C ATOM 1181 C THR A 82 6.174 6.071 0.499 1.00 0.00 C ATOM 1182 O THR A 82 5.096 5.524 0.269 1.00 0.00 O ATOM 1183 CB THR A 82 5.505 7.689 2.277 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.093 9.049 2.457 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.407 7.271 3.429 1.00 0.00 C ATOM 0 H THR A 82 4.734 8.112 -0.420 1.00 0.00 H new ATOM 0 HA THR A 82 7.273 7.833 1.048 1.00 0.00 H new ATOM 0 HB THR A 82 4.628 7.042 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.133 9.127 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.872 7.390 4.371 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.696 6.227 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.300 7.896 3.437 1.00 0.00 H new ATOM 1193 N TYR A 83 7.341 5.444 0.395 1.00 0.00 N ATOM 1194 CA TYR A 83 7.423 4.045 -0.008 1.00 0.00 C ATOM 1195 C TYR A 83 7.415 3.126 1.210 1.00 0.00 C ATOM 1196 O TYR A 83 7.776 3.536 2.313 1.00 0.00 O ATOM 1197 CB TYR A 83 8.687 3.804 -0.835 1.00 0.00 C ATOM 1198 CG TYR A 83 8.713 4.569 -2.139 1.00 0.00 C ATOM 1199 CD1 TYR A 83 9.231 5.856 -2.202 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.219 4.003 -3.308 1.00 0.00 C ATOM 1201 CE1 TYR A 83 9.256 6.559 -3.392 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.241 4.698 -4.502 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.760 5.975 -4.539 1.00 0.00 C ATOM 1204 OH TYR A 83 8.784 6.671 -5.726 1.00 0.00 O ATOM 0 H TYR A 83 8.242 5.882 0.584 1.00 0.00 H new ATOM 0 HA TYR A 83 6.549 3.817 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.558 4.084 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.775 2.738 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.621 6.316 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.811 3.003 -3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.661 7.560 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.854 4.243 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 83 8.399 6.118 -6.437 1.00 0.00 H new ATOM 1214 N PHE A 84 7.001 1.881 1.000 1.00 0.00 N ATOM 1215 CA PHE A 84 6.945 0.902 2.080 1.00 0.00 C ATOM 1216 C PHE A 84 7.214 -0.505 1.553 1.00 0.00 C ATOM 1217 O PHE A 84 6.382 -1.088 0.858 1.00 0.00 O ATOM 1218 CB PHE A 84 5.580 0.949 2.769 1.00 0.00 C ATOM 1219 CG PHE A 84 5.094 2.344 3.042 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.344 3.027 2.098 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.386 2.971 4.242 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.896 4.311 2.347 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.941 4.254 4.497 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.194 4.925 3.548 1.00 0.00 C ATOM 0 H PHE A 84 6.699 1.526 0.093 1.00 0.00 H new ATOM 0 HA PHE A 84 7.719 1.153 2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.849 0.434 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.638 0.402 3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.107 2.551 1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.969 2.451 4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.313 4.834 1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.177 4.732 5.437 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.844 5.928 3.745 1.00 0.00 H new ATOM 1234 N SER A 85 8.382 -1.043 1.889 1.00 0.00 N ATOM 1235 CA SER A 85 8.763 -2.379 1.446 1.00 0.00 C ATOM 1236 C SER A 85 8.181 -3.444 2.371 1.00 0.00 C ATOM 1237 O SER A 85 8.692 -3.677 3.467 1.00 0.00 O ATOM 1238 CB SER A 85 10.286 -2.508 1.396 1.00 0.00 C ATOM 1239 OG SER A 85 10.687 -3.864 1.485 1.00 0.00 O ATOM 0 H SER A 85 9.080 -0.575 2.466 1.00 0.00 H new ATOM 0 HA SER A 85 8.360 -2.532 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.660 -2.075 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.729 -1.940 2.214 1.00 0.00 H new ATOM 0 HG SER A 85 11.665 -3.919 1.449 1.00 0.00 H new ATOM 1245 N VAL A 86 7.109 -4.088 1.922 1.00 0.00 N ATOM 1246 CA VAL A 86 6.457 -5.129 2.707 1.00 0.00 C ATOM 1247 C VAL A 86 6.907 -6.516 2.262 1.00 0.00 C ATOM 1248 O VAL A 86 7.296 -6.714 1.112 1.00 0.00 O ATOM 1249 CB VAL A 86 4.923 -5.039 2.596 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.274 -6.311 3.119 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.406 -3.820 3.346 1.00 0.00 C ATOM 0 H VAL A 86 6.673 -3.907 1.018 1.00 0.00 H new ATOM 0 HA VAL A 86 6.748 -4.971 3.745 1.00 0.00 H new ATOM 0 HB VAL A 86 4.658 -4.930 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.191 -6.229 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.621 -7.163 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.545 -6.454 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.321 -3.772 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.681 -3.896 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.845 -2.918 2.921 1.00 0.00 H new ATOM 1261 N ASN A 87 6.849 -7.474 3.181 1.00 0.00 N ATOM 1262 CA ASN A 87 7.251 -8.844 2.884 1.00 0.00 C ATOM 1263 C ASN A 87 6.470 -9.838 3.738 1.00 0.00 C ATOM 1264 O ASN A 87 6.733 -9.988 4.931 1.00 0.00 O ATOM 1265 CB ASN A 87 8.753 -9.020 3.120 1.00 0.00 C ATOM 1266 CG ASN A 87 9.365 -10.060 2.201 1.00 0.00 C ATOM 1267 OD1 ASN A 87 10.137 -9.731 1.301 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.021 -11.323 2.425 1.00 0.00 N ATOM 0 H ASN A 87 6.527 -7.327 4.138 1.00 0.00 H new ATOM 0 HA ASN A 87 7.030 -9.042 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.256 -8.065 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.924 -9.310 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.401 -12.067 1.839 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.377 -11.549 3.183 1.00 0.00 H new ATOM 1275 N VAL A 88 5.509 -10.516 3.119 1.00 0.00 N ATOM 1276 CA VAL A 88 4.691 -11.497 3.821 1.00 0.00 C ATOM 1277 C VAL A 88 5.181 -12.915 3.552 1.00 0.00 C ATOM 1278 O VAL A 88 5.199 -13.370 2.408 1.00 0.00 O ATOM 1279 CB VAL A 88 3.210 -11.390 3.410 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.358 -12.346 4.231 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.717 -9.959 3.562 1.00 0.00 C ATOM 0 H VAL A 88 5.278 -10.404 2.132 1.00 0.00 H new ATOM 0 HA VAL A 88 4.781 -11.281 4.886 1.00 0.00 H new ATOM 0 HB VAL A 88 3.121 -11.671 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.315 -12.257 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.697 -13.369 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.450 -12.099 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.669 -9.902 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.819 -9.647 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.309 -9.301 2.926 1.00 0.00 H new ATOM 1291 N SER A 89 5.577 -13.610 4.614 1.00 0.00 N ATOM 1292 CA SER A 89 6.070 -14.977 4.492 1.00 0.00 C ATOM 1293 C SER A 89 6.045 -15.686 5.843 1.00 0.00 C ATOM 1294 O SER A 89 6.304 -15.077 6.881 1.00 0.00 O ATOM 1295 CB SER A 89 7.493 -14.979 3.929 1.00 0.00 C ATOM 1296 OG SER A 89 7.835 -16.254 3.413 1.00 0.00 O ATOM 0 H SER A 89 5.566 -13.249 5.568 1.00 0.00 H new ATOM 0 HA SER A 89 5.414 -15.514 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.577 -14.230 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.198 -14.699 4.712 1.00 0.00 H new ATOM 0 HG SER A 89 8.748 -16.229 3.058 1.00 0.00 H new ATOM 1302 N ASP A 90 5.730 -16.976 5.820 1.00 0.00 N ATOM 1303 CA ASP A 90 5.671 -17.770 7.042 1.00 0.00 C ATOM 1304 C ASP A 90 7.024 -17.784 7.746 1.00 0.00 C ATOM 1305 O ASP A 90 7.127 -18.186 8.905 1.00 0.00 O ATOM 1306 CB ASP A 90 5.232 -19.201 6.725 1.00 0.00 C ATOM 1307 CG ASP A 90 5.893 -19.745 5.473 1.00 0.00 C ATOM 1308 OD1 ASP A 90 7.113 -20.009 5.514 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.190 -19.907 4.454 1.00 0.00 O ATOM 0 H ASP A 90 5.512 -17.494 4.969 1.00 0.00 H new ATOM 0 HA ASP A 90 4.939 -17.313 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.472 -19.847 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.149 -19.227 6.601 1.00 0.00 H new