USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 15 THR OG1 : rot 158:sc= 0.225 USER MOD Set 1.2: A 21 GLN : amide:sc= 0.229 X(o=0.45,f=0.019) USER MOD Single : A 9 SER OG : rot -26:sc= 0.25 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= -0.267 (180deg=-0.442) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 154:sc= -1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= -1.81! (180deg=-4.62!) USER MOD Single : A 52 ASN : amide:sc= -0.111 X(o=-0.11,f=0.2) USER MOD Single : A 53 ASN : amide:sc=-0.00627 X(o=-0.0063,f=0) USER MOD Single : A 66 CYS SG : rot -74:sc= -5! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.518 1.190 4.030 1.00 0.00 N ATOM 79 CA SER A 9 -11.591 0.180 3.550 1.00 0.00 C ATOM 80 C SER A 9 -12.354 -1.087 3.159 1.00 0.00 C ATOM 81 O SER A 9 -13.573 -1.153 3.307 1.00 0.00 O ATOM 82 CB SER A 9 -10.532 -0.142 4.606 1.00 0.00 C ATOM 83 OG SER A 9 -11.100 -0.284 5.905 1.00 0.00 O ATOM 0 HA SER A 9 -11.080 0.574 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.016 -1.063 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.783 0.650 4.622 1.00 0.00 H new ATOM 0 HG SER A 9 -11.933 0.230 5.956 1.00 0.00 H new ATOM 89 N LYS A 10 -11.604 -2.062 2.666 1.00 0.00 N ATOM 90 CA LYS A 10 -12.195 -3.324 2.252 1.00 0.00 C ATOM 91 C LYS A 10 -11.100 -4.389 2.161 1.00 0.00 C ATOM 92 O LYS A 10 -9.922 -4.063 2.020 1.00 0.00 O ATOM 93 CB LYS A 10 -12.988 -3.145 0.957 1.00 0.00 C ATOM 94 CG LYS A 10 -12.088 -2.638 -0.172 1.00 0.00 C ATOM 95 CD LYS A 10 -12.909 -2.295 -1.416 1.00 0.00 C ATOM 96 CE LYS A 10 -12.524 -3.194 -2.593 1.00 0.00 C ATOM 97 NZ LYS A 10 -13.371 -4.407 -2.618 1.00 0.00 N ATOM 0 H LYS A 10 -10.593 -2.004 2.544 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.915 -3.669 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.439 -4.094 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.804 -2.441 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.542 -1.756 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.346 -3.397 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.971 -2.410 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.750 -1.251 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.636 -2.646 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.475 -3.478 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.096 -5.006 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.244 -4.937 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.369 -4.132 -2.716 1.00 0.00 H new ATOM 111 N PRO A 11 -11.538 -5.673 2.246 1.00 0.00 N ATOM 112 CA PRO A 11 -10.609 -6.788 2.174 1.00 0.00 C ATOM 113 C PRO A 11 -10.130 -7.010 0.738 1.00 0.00 C ATOM 114 O PRO A 11 -10.908 -7.416 -0.124 1.00 0.00 O ATOM 115 CB PRO A 11 -11.375 -7.975 2.736 1.00 0.00 C ATOM 116 CG PRO A 11 -12.844 -7.593 2.668 1.00 0.00 C ATOM 117 CD PRO A 11 -12.926 -6.097 2.412 1.00 0.00 C ATOM 0 HA PRO A 11 -9.697 -6.614 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.179 -8.877 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.073 -8.184 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.345 -8.144 1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.348 -7.849 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.516 -5.879 1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.402 -5.578 3.244 1.00 0.00 H new ATOM 125 N ILE A 12 -8.851 -6.735 0.526 1.00 0.00 N ATOM 126 CA ILE A 12 -8.259 -6.900 -0.791 1.00 0.00 C ATOM 127 C ILE A 12 -7.318 -8.106 -0.774 1.00 0.00 C ATOM 128 O ILE A 12 -6.992 -8.629 0.290 1.00 0.00 O ATOM 129 CB ILE A 12 -7.587 -5.602 -1.243 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.361 -5.290 -0.382 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.587 -4.443 -1.257 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.488 -4.219 -1.038 1.00 0.00 C ATOM 0 H ILE A 12 -8.209 -6.399 1.244 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.031 -7.107 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.236 -5.738 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.681 -4.950 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.777 -6.198 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.084 -3.532 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.401 -4.673 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.989 -4.297 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.624 -4.016 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.150 -4.572 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.067 -3.305 -1.165 1.00 0.00 H new ATOM 144 N LYS A 13 -6.908 -8.513 -1.967 1.00 0.00 N ATOM 145 CA LYS A 13 -6.010 -9.647 -2.103 1.00 0.00 C ATOM 146 C LYS A 13 -4.720 -9.192 -2.788 1.00 0.00 C ATOM 147 O LYS A 13 -4.763 -8.552 -3.837 1.00 0.00 O ATOM 148 CB LYS A 13 -6.712 -10.803 -2.819 1.00 0.00 C ATOM 149 CG LYS A 13 -6.937 -11.981 -1.869 1.00 0.00 C ATOM 150 CD LYS A 13 -5.923 -13.096 -2.129 1.00 0.00 C ATOM 151 CE LYS A 13 -6.354 -14.399 -1.453 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.329 -14.251 0.020 1.00 0.00 N ATOM 0 H LYS A 13 -7.181 -8.077 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.731 -10.032 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.669 -10.463 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.112 -11.127 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.853 -11.641 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.948 -12.367 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.820 -13.256 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.944 -12.796 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.358 -14.671 -1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.690 -15.209 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.084 -15.163 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.620 -13.538 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.266 -13.948 0.354 1.00 0.00 H new ATOM 166 N VAL A 14 -3.603 -9.541 -2.166 1.00 0.00 N ATOM 167 CA VAL A 14 -2.303 -9.177 -2.703 1.00 0.00 C ATOM 168 C VAL A 14 -1.489 -10.446 -2.963 1.00 0.00 C ATOM 169 O VAL A 14 -1.111 -11.148 -2.026 1.00 0.00 O ATOM 170 CB VAL A 14 -1.601 -8.201 -1.756 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.129 -8.032 -2.136 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.319 -6.850 -1.731 1.00 0.00 C ATOM 0 H VAL A 14 -3.572 -10.072 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.415 -8.662 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.642 -8.621 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.347 -7.334 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.375 -8.997 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.058 -7.645 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.800 -6.175 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.324 -6.422 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.345 -6.990 -1.391 1.00 0.00 H new ATOM 182 N THR A 15 -1.244 -10.702 -4.239 1.00 0.00 N ATOM 183 CA THR A 15 -0.482 -11.875 -4.634 1.00 0.00 C ATOM 184 C THR A 15 1.018 -11.575 -4.593 1.00 0.00 C ATOM 185 O THR A 15 1.469 -10.571 -5.141 1.00 0.00 O ATOM 186 CB THR A 15 -0.976 -12.317 -6.014 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.249 -12.901 -5.755 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.148 -13.467 -6.591 1.00 0.00 C ATOM 0 H THR A 15 -1.559 -10.118 -5.013 1.00 0.00 H new ATOM 0 HA THR A 15 -0.636 -12.700 -3.938 1.00 0.00 H new ATOM 0 HB THR A 15 -0.947 -11.470 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.786 -12.892 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.540 -13.742 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.891 -13.153 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.204 -14.327 -5.923 1.00 0.00 H new ATOM 196 N LEU A 16 1.749 -12.465 -3.938 1.00 0.00 N ATOM 197 CA LEU A 16 3.188 -12.308 -3.818 1.00 0.00 C ATOM 198 C LEU A 16 3.830 -12.459 -5.199 1.00 0.00 C ATOM 199 O LEU A 16 3.221 -13.012 -6.113 1.00 0.00 O ATOM 200 CB LEU A 16 3.747 -13.274 -2.771 1.00 0.00 C ATOM 201 CG LEU A 16 3.267 -13.057 -1.335 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.642 -14.245 -0.446 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.793 -11.734 -0.775 1.00 0.00 C ATOM 0 H LEU A 16 1.371 -13.297 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 16 3.434 -11.308 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.490 -14.290 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.835 -13.203 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 16 2.179 -12.993 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.289 -14.065 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.179 -15.152 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.725 -14.366 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.437 -11.604 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.883 -11.744 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.434 -10.910 -1.391 1.00 0.00 H new ATOM 215 N PRO A 17 5.084 -11.944 -5.309 1.00 0.00 N ATOM 216 CA PRO A 17 5.815 -12.017 -6.562 1.00 0.00 C ATOM 217 C PRO A 17 6.337 -13.433 -6.812 1.00 0.00 C ATOM 218 O PRO A 17 7.014 -13.683 -7.809 1.00 0.00 O ATOM 219 CB PRO A 17 6.927 -10.989 -6.429 1.00 0.00 C ATOM 220 CG PRO A 17 7.062 -10.712 -4.941 1.00 0.00 C ATOM 221 CD PRO A 17 5.836 -11.283 -4.247 1.00 0.00 C ATOM 0 HA PRO A 17 5.189 -11.798 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.862 -11.369 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.684 -10.078 -6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.970 -11.169 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.140 -9.640 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.116 -11.987 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.247 -10.497 -3.774 1.00 0.00 H new ATOM 229 N ASP A 18 6.004 -14.323 -5.889 1.00 0.00 N ATOM 230 CA ASP A 18 6.431 -15.708 -5.997 1.00 0.00 C ATOM 231 C ASP A 18 5.247 -16.569 -6.442 1.00 0.00 C ATOM 232 O ASP A 18 5.422 -17.729 -6.810 1.00 0.00 O ATOM 233 CB ASP A 18 6.921 -16.239 -4.648 1.00 0.00 C ATOM 234 CG ASP A 18 7.847 -17.455 -4.730 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.217 -17.810 -5.870 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.163 -18.001 -3.651 1.00 0.00 O ATOM 0 H ASP A 18 5.444 -14.112 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 18 7.245 -15.755 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.444 -15.437 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.054 -16.501 -4.041 1.00 0.00 H new ATOM 241 N GLY A 19 4.067 -15.967 -6.393 1.00 0.00 N ATOM 242 CA GLY A 19 2.855 -16.665 -6.787 1.00 0.00 C ATOM 243 C GLY A 19 1.889 -16.794 -5.607 1.00 0.00 C ATOM 244 O GLY A 19 0.673 -16.787 -5.793 1.00 0.00 O ATOM 0 H GLY A 19 3.925 -15.005 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.370 -16.127 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.108 -17.656 -7.165 1.00 0.00 H new ATOM 248 N LYS A 20 2.467 -16.908 -4.421 1.00 0.00 N ATOM 249 CA LYS A 20 1.672 -17.038 -3.211 1.00 0.00 C ATOM 250 C LYS A 20 0.660 -15.893 -3.145 1.00 0.00 C ATOM 251 O LYS A 20 0.815 -14.883 -3.829 1.00 0.00 O ATOM 252 CB LYS A 20 2.579 -17.130 -1.982 1.00 0.00 C ATOM 253 CG LYS A 20 2.679 -18.572 -1.480 1.00 0.00 C ATOM 254 CD LYS A 20 1.501 -18.918 -0.567 1.00 0.00 C ATOM 255 CE LYS A 20 1.990 -19.425 0.791 1.00 0.00 C ATOM 256 NZ LYS A 20 0.871 -20.019 1.556 1.00 0.00 N ATOM 0 H LYS A 20 3.476 -16.913 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 20 1.101 -17.967 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.573 -16.758 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.189 -16.492 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.699 -19.256 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.615 -18.708 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.875 -18.037 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.880 -19.678 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.775 -20.168 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.429 -18.603 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.220 -20.358 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.135 -19.300 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.470 -20.817 1.022 1.00 0.00 H new ATOM 270 N GLN A 21 -0.353 -16.088 -2.314 1.00 0.00 N ATOM 271 CA GLN A 21 -1.390 -15.084 -2.149 1.00 0.00 C ATOM 272 C GLN A 21 -1.484 -14.653 -0.684 1.00 0.00 C ATOM 273 O GLN A 21 -1.244 -15.453 0.219 1.00 0.00 O ATOM 274 CB GLN A 21 -2.739 -15.601 -2.656 1.00 0.00 C ATOM 275 CG GLN A 21 -2.620 -16.130 -4.086 1.00 0.00 C ATOM 276 CD GLN A 21 -3.982 -16.135 -4.784 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.902 -16.839 -4.401 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.059 -15.312 -5.826 1.00 0.00 N ATOM 0 H GLN A 21 -0.478 -16.927 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.123 -14.213 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.099 -16.394 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.476 -14.799 -2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.921 -15.512 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.211 -17.140 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.251 -14.750 -6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.927 -15.242 -6.358 1.00 0.00 H new ATOM 287 N VAL A 22 -1.833 -13.389 -0.494 1.00 0.00 N ATOM 288 CA VAL A 22 -1.961 -12.842 0.846 1.00 0.00 C ATOM 289 C VAL A 22 -3.289 -12.092 0.961 1.00 0.00 C ATOM 290 O VAL A 22 -3.938 -11.812 -0.046 1.00 0.00 O ATOM 291 CB VAL A 22 -0.749 -11.966 1.172 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.843 -11.407 2.593 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.556 -12.739 0.971 1.00 0.00 C ATOM 0 H VAL A 22 -2.031 -12.728 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.975 -13.643 1.586 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.749 -11.123 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.030 -10.788 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.746 -10.804 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.881 -12.230 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.402 -12.094 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.568 -13.610 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.630 -13.065 -0.066 1.00 0.00 H new ATOM 303 N ASP A 23 -3.655 -11.787 2.197 1.00 0.00 N ATOM 304 CA ASP A 23 -4.895 -11.075 2.457 1.00 0.00 C ATOM 305 C ASP A 23 -4.576 -9.724 3.101 1.00 0.00 C ATOM 306 O ASP A 23 -3.923 -9.667 4.142 1.00 0.00 O ATOM 307 CB ASP A 23 -5.789 -11.858 3.420 1.00 0.00 C ATOM 308 CG ASP A 23 -6.793 -12.798 2.750 1.00 0.00 C ATOM 309 OD1 ASP A 23 -7.752 -12.268 2.148 1.00 0.00 O ATOM 310 OD2 ASP A 23 -6.580 -14.025 2.855 1.00 0.00 O ATOM 0 H ASP A 23 -3.114 -12.020 3.030 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.415 -10.945 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.155 -12.443 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.336 -11.149 4.042 1.00 0.00 H new ATOM 315 N ALA A 24 -5.052 -8.669 2.455 1.00 0.00 N ATOM 316 CA ALA A 24 -4.826 -7.323 2.951 1.00 0.00 C ATOM 317 C ALA A 24 -6.100 -6.496 2.767 1.00 0.00 C ATOM 318 O ALA A 24 -7.099 -6.995 2.252 1.00 0.00 O ATOM 319 CB ALA A 24 -3.623 -6.709 2.233 1.00 0.00 C ATOM 0 H ALA A 24 -5.593 -8.720 1.592 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.595 -7.340 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.454 -5.699 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.738 -7.318 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.819 -6.672 1.161 1.00 0.00 H new ATOM 325 N GLU A 25 -6.023 -5.245 3.198 1.00 0.00 N ATOM 326 CA GLU A 25 -7.157 -4.344 3.087 1.00 0.00 C ATOM 327 C GLU A 25 -6.715 -3.004 2.497 1.00 0.00 C ATOM 328 O GLU A 25 -5.624 -2.520 2.795 1.00 0.00 O ATOM 329 CB GLU A 25 -7.837 -4.148 4.444 1.00 0.00 C ATOM 330 CG GLU A 25 -8.795 -5.301 4.749 1.00 0.00 C ATOM 331 CD GLU A 25 -9.169 -5.325 6.233 1.00 0.00 C ATOM 332 OE1 GLU A 25 -8.304 -5.748 7.029 1.00 0.00 O ATOM 333 OE2 GLU A 25 -10.312 -4.920 6.536 1.00 0.00 O ATOM 0 H GLU A 25 -5.192 -4.835 3.625 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.887 -4.792 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.082 -4.081 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.384 -3.205 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.696 -5.199 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.331 -6.247 4.472 1.00 0.00 H new ATOM 340 N SER A 26 -7.584 -2.442 1.670 1.00 0.00 N ATOM 341 CA SER A 26 -7.296 -1.167 1.035 1.00 0.00 C ATOM 342 C SER A 26 -7.117 -0.081 2.098 1.00 0.00 C ATOM 343 O SER A 26 -7.881 -0.018 3.060 1.00 0.00 O ATOM 344 CB SER A 26 -8.407 -0.775 0.058 1.00 0.00 C ATOM 345 OG SER A 26 -9.682 -0.721 0.693 1.00 0.00 O ATOM 0 H SER A 26 -8.488 -2.846 1.425 1.00 0.00 H new ATOM 0 HA SER A 26 -6.370 -1.269 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.179 0.197 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.440 -1.494 -0.761 1.00 0.00 H new ATOM 0 HG SER A 26 -10.264 -0.100 0.207 1.00 0.00 H new ATOM 351 N TRP A 27 -6.104 0.746 1.889 1.00 0.00 N ATOM 352 CA TRP A 27 -5.815 1.826 2.818 1.00 0.00 C ATOM 353 C TRP A 27 -5.607 1.214 4.204 1.00 0.00 C ATOM 354 O TRP A 27 -5.740 1.900 5.216 1.00 0.00 O ATOM 355 CB TRP A 27 -6.921 2.883 2.790 1.00 0.00 C ATOM 356 CG TRP A 27 -7.403 3.243 1.384 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.508 2.818 0.756 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.746 4.126 0.450 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.611 3.360 -0.509 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.506 4.180 -0.701 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.550 4.854 0.573 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.153 4.950 -1.816 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.212 5.618 -0.550 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.965 5.684 -1.716 1.00 0.00 C ATOM 0 H TRP A 27 -5.473 0.690 1.090 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.904 2.350 2.529 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.769 2.522 3.372 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.559 3.786 3.281 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.228 2.137 1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.360 3.190 -1.180 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.940 4.826 1.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.765 4.976 -2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.301 6.197 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.636 6.298 -2.541 1.00 0.00 H new ATOM 375 N LYS A 28 -5.284 -0.071 4.207 1.00 0.00 N ATOM 376 CA LYS A 28 -5.057 -0.784 5.452 1.00 0.00 C ATOM 377 C LYS A 28 -3.632 -1.341 5.463 1.00 0.00 C ATOM 378 O LYS A 28 -2.744 -0.771 6.096 1.00 0.00 O ATOM 379 CB LYS A 28 -6.135 -1.848 5.666 1.00 0.00 C ATOM 380 CG LYS A 28 -7.194 -1.365 6.658 1.00 0.00 C ATOM 381 CD LYS A 28 -7.946 -2.546 7.276 1.00 0.00 C ATOM 382 CE LYS A 28 -8.703 -2.116 8.534 1.00 0.00 C ATOM 383 NZ LYS A 28 -8.179 -2.826 9.722 1.00 0.00 N ATOM 0 H LYS A 28 -5.174 -0.637 3.366 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.141 -0.105 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.607 -2.089 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.677 -2.765 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.720 -0.779 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.899 -0.706 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.646 -2.957 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.242 -3.340 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.606 -1.039 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.766 -2.327 8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.704 -2.523 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.294 -3.851 9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.170 -2.604 9.842 1.00 0.00 H new ATOM 397 N THR A 29 -3.457 -2.447 4.756 1.00 0.00 N ATOM 398 CA THR A 29 -2.155 -3.087 4.676 1.00 0.00 C ATOM 399 C THR A 29 -1.278 -2.385 3.638 1.00 0.00 C ATOM 400 O THR A 29 -1.782 -1.652 2.788 1.00 0.00 O ATOM 401 CB THR A 29 -2.376 -4.572 4.381 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.129 -5.040 5.496 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.078 -5.380 4.442 1.00 0.00 C ATOM 0 H THR A 29 -4.196 -2.917 4.233 1.00 0.00 H new ATOM 0 HA THR A 29 -1.615 -3.005 5.619 1.00 0.00 H new ATOM 0 HB THR A 29 -2.827 -4.683 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.318 -5.995 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.291 -6.427 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.373 -4.993 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.644 -5.297 5.438 1.00 0.00 H new ATOM 411 N THR A 30 0.019 -2.633 3.741 1.00 0.00 N ATOM 412 CA THR A 30 0.971 -2.034 2.821 1.00 0.00 C ATOM 413 C THR A 30 1.848 -3.113 2.183 1.00 0.00 C ATOM 414 O THR A 30 1.837 -4.264 2.617 1.00 0.00 O ATOM 415 CB THR A 30 1.769 -0.977 3.589 1.00 0.00 C ATOM 416 OG1 THR A 30 1.727 -1.425 4.941 1.00 0.00 O ATOM 417 CG2 THR A 30 1.062 0.379 3.624 1.00 0.00 C ATOM 0 H THR A 30 0.433 -3.241 4.448 1.00 0.00 H new ATOM 0 HA THR A 30 0.464 -1.541 1.992 1.00 0.00 H new ATOM 0 HB THR A 30 2.752 -0.862 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.222 -0.798 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.670 1.092 4.180 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.919 0.741 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.093 0.271 4.111 1.00 0.00 H new ATOM 425 N PRO A 31 2.607 -2.691 1.136 1.00 0.00 N ATOM 426 CA PRO A 31 3.489 -3.609 0.434 1.00 0.00 C ATOM 427 C PRO A 31 4.738 -3.911 1.264 1.00 0.00 C ATOM 428 O PRO A 31 5.412 -4.915 1.035 1.00 0.00 O ATOM 429 CB PRO A 31 3.803 -2.921 -0.884 1.00 0.00 C ATOM 430 CG PRO A 31 3.467 -1.453 -0.678 1.00 0.00 C ATOM 431 CD PRO A 31 2.646 -1.336 0.596 1.00 0.00 C ATOM 0 HA PRO A 31 3.032 -4.583 0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.852 -3.048 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.214 -3.346 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.378 -0.860 -0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.907 -1.067 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.104 -0.642 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.643 -0.963 0.388 1.00 0.00 H new ATOM 439 N TYR A 32 5.011 -3.024 2.210 1.00 0.00 N ATOM 440 CA TYR A 32 6.168 -3.184 3.074 1.00 0.00 C ATOM 441 C TYR A 32 5.884 -4.192 4.190 1.00 0.00 C ATOM 442 O TYR A 32 6.772 -4.937 4.599 1.00 0.00 O ATOM 443 CB TYR A 32 6.421 -1.810 3.697 1.00 0.00 C ATOM 444 CG TYR A 32 7.861 -1.596 4.168 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.909 -1.775 3.287 1.00 0.00 C ATOM 446 CD2 TYR A 32 8.113 -1.224 5.472 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.264 -1.573 3.729 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.468 -1.023 5.915 1.00 0.00 C ATOM 449 CZ TYR A 32 10.477 -1.208 5.022 1.00 0.00 C ATOM 450 OH TYR A 32 11.757 -1.017 5.440 1.00 0.00 O ATOM 0 H TYR A 32 4.451 -2.192 2.397 1.00 0.00 H new ATOM 0 HA TYR A 32 7.023 -3.550 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.170 -1.040 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.749 -1.677 4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.712 -2.067 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.293 -1.083 6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.093 -1.708 3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.679 -0.732 6.933 1.00 0.00 H new ATOM 0 HH TYR A 32 11.757 -0.758 6.385 1.00 0.00 H new ATOM 460 N GLN A 33 4.641 -4.182 4.651 1.00 0.00 N ATOM 461 CA GLN A 33 4.229 -5.086 5.711 1.00 0.00 C ATOM 462 C GLN A 33 4.149 -6.520 5.184 1.00 0.00 C ATOM 463 O GLN A 33 4.720 -7.435 5.776 1.00 0.00 O ATOM 464 CB GLN A 33 2.894 -4.648 6.316 1.00 0.00 C ATOM 465 CG GLN A 33 3.105 -3.604 7.414 1.00 0.00 C ATOM 466 CD GLN A 33 1.958 -3.632 8.426 1.00 0.00 C ATOM 467 OE1 GLN A 33 2.046 -4.226 9.487 1.00 0.00 O ATOM 468 NE2 GLN A 33 0.879 -2.957 8.038 1.00 0.00 N ATOM 0 H GLN A 33 3.906 -3.562 4.310 1.00 0.00 H new ATOM 0 HA GLN A 33 4.977 -5.052 6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.255 -4.236 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.376 -5.514 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.049 -3.794 7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.177 -2.612 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.872 -2.481 7.136 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.059 -2.915 8.643 1.00 0.00 H new ATOM 477 N ILE A 34 3.435 -6.671 4.078 1.00 0.00 N ATOM 478 CA ILE A 34 3.273 -7.979 3.466 1.00 0.00 C ATOM 479 C ILE A 34 4.600 -8.737 3.532 1.00 0.00 C ATOM 480 O ILE A 34 4.711 -9.742 4.232 1.00 0.00 O ATOM 481 CB ILE A 34 2.714 -7.841 2.048 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.298 -7.260 2.071 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.774 -9.175 1.302 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.369 -8.043 1.141 1.00 0.00 C ATOM 0 H ILE A 34 2.963 -5.910 3.590 1.00 0.00 H new ATOM 0 HA ILE A 34 2.541 -8.569 4.017 1.00 0.00 H new ATOM 0 HB ILE A 34 3.342 -7.138 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.907 -7.286 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.325 -6.214 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.371 -9.048 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.809 -9.510 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.185 -9.919 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.631 -7.610 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.750 -7.994 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.325 -9.084 1.463 1.00 0.00 H new ATOM 663 N ILE A 48 11.636 -1.038 -4.138 1.00 0.00 N ATOM 664 CA ILE A 48 10.377 -0.447 -4.559 1.00 0.00 C ATOM 665 C ILE A 48 9.349 -1.556 -4.788 1.00 0.00 C ATOM 666 O ILE A 48 9.631 -2.537 -5.475 1.00 0.00 O ATOM 667 CB ILE A 48 10.590 0.455 -5.777 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.256 1.773 -5.374 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.275 0.683 -6.526 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.387 2.544 -4.378 1.00 0.00 C ATOM 0 HA ILE A 48 9.979 0.200 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 48 11.269 -0.052 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.231 1.571 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.428 2.383 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.454 1.327 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.879 -0.274 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.555 1.159 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.883 3.476 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.421 2.765 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.237 1.940 -3.483 1.00 0.00 H new ATOM 682 N ALA A 49 8.178 -1.364 -4.199 1.00 0.00 N ATOM 683 CA ALA A 49 7.106 -2.337 -4.330 1.00 0.00 C ATOM 684 C ALA A 49 6.194 -1.931 -5.489 1.00 0.00 C ATOM 685 O ALA A 49 5.805 -0.770 -5.600 1.00 0.00 O ATOM 686 CB ALA A 49 6.351 -2.446 -3.004 1.00 0.00 C ATOM 0 H ALA A 49 7.948 -0.549 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 49 7.509 -3.324 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.547 -3.176 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.037 -2.765 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.930 -1.475 -2.744 1.00 0.00 H new ATOM 692 N LYS A 50 5.880 -2.911 -6.324 1.00 0.00 N ATOM 693 CA LYS A 50 5.021 -2.671 -7.471 1.00 0.00 C ATOM 694 C LYS A 50 3.593 -3.107 -7.134 1.00 0.00 C ATOM 695 O LYS A 50 3.382 -4.198 -6.608 1.00 0.00 O ATOM 696 CB LYS A 50 5.592 -3.347 -8.719 1.00 0.00 C ATOM 697 CG LYS A 50 6.684 -2.486 -9.358 1.00 0.00 C ATOM 698 CD LYS A 50 7.112 -3.059 -10.710 1.00 0.00 C ATOM 699 CE LYS A 50 7.816 -1.997 -11.557 1.00 0.00 C ATOM 700 NZ LYS A 50 9.219 -2.388 -11.817 1.00 0.00 N ATOM 0 H LYS A 50 6.205 -3.873 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 50 4.983 -1.606 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.001 -4.322 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.793 -3.522 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.319 -1.468 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.546 -2.432 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.779 -3.907 -10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.238 -3.434 -11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.287 -1.867 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.789 -1.036 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.845 -1.578 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.481 -3.178 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.319 -2.683 -12.809 1.00 0.00 H new ATOM 714 N VAL A 51 2.651 -2.231 -7.450 1.00 0.00 N ATOM 715 CA VAL A 51 1.250 -2.512 -7.188 1.00 0.00 C ATOM 716 C VAL A 51 0.473 -2.488 -8.506 1.00 0.00 C ATOM 717 O VAL A 51 0.096 -1.421 -8.988 1.00 0.00 O ATOM 718 CB VAL A 51 0.703 -1.525 -6.154 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.822 -1.611 -6.066 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.345 -1.755 -4.784 1.00 0.00 C ATOM 0 H VAL A 51 2.830 -1.326 -7.885 1.00 0.00 H new ATOM 0 HA VAL A 51 1.134 -3.508 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 51 0.963 -0.518 -6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.184 -0.899 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.256 -1.375 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.113 -2.620 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.939 -1.041 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.130 -2.769 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.424 -1.619 -4.860 1.00 0.00 H new ATOM 730 N ASN A 52 0.258 -3.676 -9.050 1.00 0.00 N ATOM 731 CA ASN A 52 -0.467 -3.805 -10.303 1.00 0.00 C ATOM 732 C ASN A 52 0.471 -3.473 -11.466 1.00 0.00 C ATOM 733 O ASN A 52 0.044 -2.900 -12.467 1.00 0.00 O ATOM 734 CB ASN A 52 -1.649 -2.835 -10.358 1.00 0.00 C ATOM 735 CG ASN A 52 -2.793 -3.412 -11.194 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.818 -3.316 -12.409 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.736 -4.016 -10.476 1.00 0.00 N ATOM 0 H ASN A 52 0.573 -4.558 -8.647 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.836 -4.828 -10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.001 -2.627 -9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.325 -1.885 -10.784 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.542 -4.434 -10.941 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.653 -4.061 -9.460 1.00 0.00 H new ATOM 744 N ASN A 53 1.730 -3.847 -11.294 1.00 0.00 N ATOM 745 CA ASN A 53 2.731 -3.597 -12.317 1.00 0.00 C ATOM 746 C ASN A 53 3.035 -2.098 -12.371 1.00 0.00 C ATOM 747 O ASN A 53 3.501 -1.592 -13.390 1.00 0.00 O ATOM 748 CB ASN A 53 2.229 -4.027 -13.697 1.00 0.00 C ATOM 749 CG ASN A 53 3.095 -5.150 -14.270 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.237 -4.954 -14.654 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.491 -6.334 -14.307 1.00 0.00 N ATOM 0 H ASN A 53 2.080 -4.321 -10.462 1.00 0.00 H new ATOM 0 HA ASN A 53 3.623 -4.170 -12.063 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.194 -4.362 -13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.240 -3.173 -14.374 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.986 -7.148 -14.673 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.533 -6.429 -13.969 1.00 0.00 H new ATOM 758 N VAL A 54 2.760 -1.431 -11.260 1.00 0.00 N ATOM 759 CA VAL A 54 2.998 -0.001 -11.167 1.00 0.00 C ATOM 760 C VAL A 54 3.757 0.303 -9.874 1.00 0.00 C ATOM 761 O VAL A 54 3.390 -0.183 -8.806 1.00 0.00 O ATOM 762 CB VAL A 54 1.674 0.758 -11.275 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.591 -0.116 -11.909 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.228 1.279 -9.908 1.00 0.00 C ATOM 0 H VAL A 54 2.374 -1.855 -10.416 1.00 0.00 H new ATOM 0 HA VAL A 54 3.620 0.337 -11.996 1.00 0.00 H new ATOM 0 HB VAL A 54 1.833 1.618 -11.926 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.340 0.448 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.904 -0.415 -12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.435 -1.004 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.284 1.815 -10.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.095 0.440 -9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.986 1.954 -9.511 1.00 0.00 H new ATOM 774 N VAL A 55 4.803 1.105 -10.014 1.00 0.00 N ATOM 775 CA VAL A 55 5.617 1.479 -8.870 1.00 0.00 C ATOM 776 C VAL A 55 4.706 1.924 -7.724 1.00 0.00 C ATOM 777 O VAL A 55 3.792 2.721 -7.928 1.00 0.00 O ATOM 778 CB VAL A 55 6.631 2.550 -9.278 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.232 3.233 -8.047 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.727 1.957 -10.166 1.00 0.00 C ATOM 0 H VAL A 55 5.105 1.506 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 55 6.192 0.624 -8.514 1.00 0.00 H new ATOM 0 HB VAL A 55 6.104 3.308 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.949 3.990 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.438 3.706 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.737 2.491 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.435 2.739 -10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.250 1.170 -9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.279 1.539 -11.067 1.00 0.00 H new ATOM 790 N TRP A 56 4.987 1.389 -6.545 1.00 0.00 N ATOM 791 CA TRP A 56 4.204 1.721 -5.367 1.00 0.00 C ATOM 792 C TRP A 56 5.173 1.958 -4.207 1.00 0.00 C ATOM 793 O TRP A 56 6.257 1.376 -4.169 1.00 0.00 O ATOM 794 CB TRP A 56 3.172 0.633 -5.070 1.00 0.00 C ATOM 795 CG TRP A 56 1.882 1.155 -4.433 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.573 1.218 -3.131 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.735 1.688 -5.127 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.315 1.751 -2.936 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.211 2.046 -4.188 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.504 1.862 -6.503 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.452 2.600 -4.523 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.741 2.417 -6.821 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.704 2.783 -5.888 1.00 0.00 C ATOM 0 H TRP A 56 5.746 0.728 -6.380 1.00 0.00 H new ATOM 0 HA TRP A 56 3.628 2.631 -5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.924 0.119 -5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.620 -0.106 -4.406 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.226 0.893 -2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.144 1.901 -2.038 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.230 1.589 -7.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.176 2.872 -3.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.969 2.572 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.642 3.207 -6.214 1.00 0.00 H new ATOM 814 N ASP A 57 4.749 2.814 -3.289 1.00 0.00 N ATOM 815 CA ASP A 57 5.566 3.135 -2.130 1.00 0.00 C ATOM 816 C ASP A 57 5.344 2.077 -1.047 1.00 0.00 C ATOM 817 O ASP A 57 4.291 1.443 -0.999 1.00 0.00 O ATOM 818 CB ASP A 57 5.183 4.497 -1.547 1.00 0.00 C ATOM 819 CG ASP A 57 5.366 5.682 -2.498 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.539 6.020 -2.764 1.00 0.00 O ATOM 821 OD2 ASP A 57 4.328 6.222 -2.936 1.00 0.00 O ATOM 0 H ASP A 57 3.850 3.295 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 57 6.608 3.159 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.140 4.461 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.780 4.673 -0.652 1.00 0.00 H new ATOM 826 N LEU A 58 6.354 1.920 -0.204 1.00 0.00 N ATOM 827 CA LEU A 58 6.283 0.950 0.876 1.00 0.00 C ATOM 828 C LEU A 58 5.531 1.564 2.058 1.00 0.00 C ATOM 829 O LEU A 58 5.047 0.846 2.931 1.00 0.00 O ATOM 830 CB LEU A 58 7.682 0.443 1.233 1.00 0.00 C ATOM 831 CG LEU A 58 8.646 0.251 0.061 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.082 0.585 0.471 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.529 -1.159 -0.520 1.00 0.00 C ATOM 0 H LEU A 58 7.226 2.448 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 58 5.721 0.070 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.132 1.144 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.580 -0.509 1.753 1.00 0.00 H new ATOM 0 HG LEU A 58 8.366 0.949 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.747 0.440 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.134 1.623 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.389 -0.070 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.225 -1.269 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.767 -1.891 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.511 -1.323 -0.874 1.00 0.00 H new ATOM 845 N ASP A 59 5.456 2.887 2.048 1.00 0.00 N ATOM 846 CA ASP A 59 4.770 3.606 3.109 1.00 0.00 C ATOM 847 C ASP A 59 3.319 3.856 2.694 1.00 0.00 C ATOM 848 O ASP A 59 2.469 4.141 3.537 1.00 0.00 O ATOM 849 CB ASP A 59 5.428 4.962 3.369 1.00 0.00 C ATOM 850 CG ASP A 59 5.924 5.177 4.800 1.00 0.00 C ATOM 851 OD1 ASP A 59 7.002 4.628 5.116 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.214 5.884 5.547 1.00 0.00 O ATOM 0 H ASP A 59 5.859 3.480 1.322 1.00 0.00 H new ATOM 0 HA ASP A 59 4.821 3.001 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.271 5.076 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.713 5.748 3.126 1.00 0.00 H new ATOM 857 N ARG A 60 3.079 3.739 1.396 1.00 0.00 N ATOM 858 CA ARG A 60 1.745 3.949 0.860 1.00 0.00 C ATOM 859 C ARG A 60 0.969 2.630 0.837 1.00 0.00 C ATOM 860 O ARG A 60 1.450 1.632 0.304 1.00 0.00 O ATOM 861 CB ARG A 60 1.805 4.522 -0.557 1.00 0.00 C ATOM 862 CG ARG A 60 0.414 4.937 -1.040 1.00 0.00 C ATOM 863 CD ARG A 60 0.510 5.924 -2.205 1.00 0.00 C ATOM 864 NE ARG A 60 -0.660 6.831 -2.199 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.850 7.818 -3.085 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.051 8.032 -4.053 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.941 8.591 -3.002 1.00 0.00 N ATOM 0 H ARG A 60 3.786 3.501 0.700 1.00 0.00 H new ATOM 0 HA ARG A 60 1.236 4.663 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.473 5.383 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.223 3.779 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.145 4.055 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.140 5.391 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.430 6.503 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.555 5.381 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.366 6.696 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.882 7.444 -4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.094 8.783 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.627 8.428 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.086 9.343 -3.676 1.00 0.00 H new ATOM 881 N PRO A 61 -0.250 2.671 1.438 1.00 0.00 N ATOM 882 CA PRO A 61 -1.098 1.492 1.492 1.00 0.00 C ATOM 883 C PRO A 61 -1.739 1.215 0.130 1.00 0.00 C ATOM 884 O PRO A 61 -2.040 2.144 -0.618 1.00 0.00 O ATOM 885 CB PRO A 61 -2.117 1.789 2.579 1.00 0.00 C ATOM 886 CG PRO A 61 -2.094 3.296 2.771 1.00 0.00 C ATOM 887 CD PRO A 61 -0.853 3.836 2.080 1.00 0.00 C ATOM 0 HA PRO A 61 -0.542 0.584 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.110 1.448 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.862 1.273 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.992 3.748 2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.079 3.545 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.109 4.603 1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.169 4.293 2.795 1.00 0.00 H new ATOM 895 N LEU A 62 -1.930 -0.066 -0.149 1.00 0.00 N ATOM 896 CA LEU A 62 -2.531 -0.476 -1.407 1.00 0.00 C ATOM 897 C LEU A 62 -3.879 0.227 -1.577 1.00 0.00 C ATOM 898 O LEU A 62 -4.344 0.913 -0.668 1.00 0.00 O ATOM 899 CB LEU A 62 -2.618 -2.001 -1.487 1.00 0.00 C ATOM 900 CG LEU A 62 -1.351 -2.767 -1.102 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.097 -1.959 -1.444 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.384 -3.177 0.372 1.00 0.00 C ATOM 0 H LEU A 62 -1.679 -0.834 0.474 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.905 -0.171 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.430 -2.333 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.890 -2.276 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.314 -3.684 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.790 -2.526 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.073 -1.760 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.113 -1.015 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.472 -3.720 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.456 -2.286 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.247 -3.817 0.552 1.00 0.00 H new ATOM 914 N GLU A 63 -4.468 0.032 -2.748 1.00 0.00 N ATOM 915 CA GLU A 63 -5.754 0.639 -3.048 1.00 0.00 C ATOM 916 C GLU A 63 -6.831 -0.439 -3.184 1.00 0.00 C ATOM 917 O GLU A 63 -7.964 -0.248 -2.745 1.00 0.00 O ATOM 918 CB GLU A 63 -5.673 1.496 -4.313 1.00 0.00 C ATOM 919 CG GLU A 63 -5.103 2.881 -4.002 1.00 0.00 C ATOM 920 CD GLU A 63 -5.954 3.980 -4.642 1.00 0.00 C ATOM 921 OE1 GLU A 63 -7.194 3.824 -4.619 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.345 4.952 -5.140 1.00 0.00 O ATOM 0 H GLU A 63 -4.079 -0.537 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.027 1.295 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.046 0.999 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.666 1.598 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.064 3.028 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.079 2.948 -4.370 1.00 0.00 H new ATOM 929 N GLU A 64 -6.439 -1.549 -3.793 1.00 0.00 N ATOM 930 CA GLU A 64 -7.358 -2.657 -3.991 1.00 0.00 C ATOM 931 C GLU A 64 -6.601 -3.890 -4.489 1.00 0.00 C ATOM 932 O GLU A 64 -5.378 -3.862 -4.618 1.00 0.00 O ATOM 933 CB GLU A 64 -8.479 -2.274 -4.960 1.00 0.00 C ATOM 934 CG GLU A 64 -7.929 -2.035 -6.367 1.00 0.00 C ATOM 935 CD GLU A 64 -8.341 -0.657 -6.890 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.458 -0.570 -7.443 1.00 0.00 O ATOM 937 OE2 GLU A 64 -7.528 0.278 -6.725 1.00 0.00 O ATOM 0 H GLU A 64 -5.498 -1.705 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.818 -2.898 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.227 -3.066 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.981 -1.374 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.842 -2.113 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.296 -2.809 -7.041 1.00 0.00 H new ATOM 944 N ASP A 65 -7.360 -4.943 -4.755 1.00 0.00 N ATOM 945 CA ASP A 65 -6.776 -6.184 -5.236 1.00 0.00 C ATOM 946 C ASP A 65 -5.766 -5.873 -6.342 1.00 0.00 C ATOM 947 O ASP A 65 -6.142 -5.414 -7.420 1.00 0.00 O ATOM 948 CB ASP A 65 -7.848 -7.107 -5.820 1.00 0.00 C ATOM 949 CG ASP A 65 -8.981 -7.472 -4.859 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.609 -6.525 -4.337 1.00 0.00 O ATOM 951 OD2 ASP A 65 -9.193 -8.689 -4.667 1.00 0.00 O ATOM 0 H ASP A 65 -8.374 -4.963 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.294 -6.679 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.278 -6.628 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.369 -8.026 -6.159 1.00 0.00 H new ATOM 956 N CYS A 66 -4.504 -6.135 -6.037 1.00 0.00 N ATOM 957 CA CYS A 66 -3.437 -5.888 -6.993 1.00 0.00 C ATOM 958 C CYS A 66 -2.296 -6.864 -6.701 1.00 0.00 C ATOM 959 O CYS A 66 -2.411 -7.714 -5.818 1.00 0.00 O ATOM 960 CB CYS A 66 -2.967 -4.433 -6.953 1.00 0.00 C ATOM 961 SG CYS A 66 -2.647 -3.925 -5.224 1.00 0.00 S ATOM 0 H CYS A 66 -4.196 -6.516 -5.142 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.806 -6.054 -8.005 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.061 -4.319 -7.548 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.723 -3.786 -7.397 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.778 -3.748 -4.607 1.00 0.00 H new ATOM 967 N THR A 67 -1.220 -6.711 -7.459 1.00 0.00 N ATOM 968 CA THR A 67 -0.059 -7.569 -7.293 1.00 0.00 C ATOM 969 C THR A 67 1.002 -6.871 -6.438 1.00 0.00 C ATOM 970 O THR A 67 0.885 -5.682 -6.146 1.00 0.00 O ATOM 971 CB THR A 67 0.443 -7.960 -8.684 1.00 0.00 C ATOM 972 OG1 THR A 67 0.602 -6.715 -9.359 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.619 -8.695 -9.504 1.00 0.00 C ATOM 0 H THR A 67 -1.128 -6.005 -8.190 1.00 0.00 H new ATOM 0 HA THR A 67 -0.316 -8.482 -6.756 1.00 0.00 H new ATOM 0 HB THR A 67 1.327 -8.590 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.927 -6.876 -10.270 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.211 -8.950 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.913 -9.607 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.490 -8.053 -9.630 1.00 0.00 H new ATOM 981 N LEU A 68 2.012 -7.641 -6.062 1.00 0.00 N ATOM 982 CA LEU A 68 3.092 -7.111 -5.247 1.00 0.00 C ATOM 983 C LEU A 68 4.421 -7.706 -5.719 1.00 0.00 C ATOM 984 O LEU A 68 4.577 -8.925 -5.768 1.00 0.00 O ATOM 985 CB LEU A 68 2.808 -7.346 -3.762 1.00 0.00 C ATOM 986 CG LEU A 68 3.892 -6.878 -2.789 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.239 -5.406 -3.021 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.482 -7.149 -1.340 1.00 0.00 C ATOM 0 H LEU A 68 2.106 -8.627 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 68 3.164 -6.030 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.876 -6.842 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.646 -8.413 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 68 4.796 -7.456 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.012 -5.099 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.604 -5.274 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.349 -4.795 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.270 -6.807 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.558 -6.615 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.325 -8.219 -1.200 1.00 0.00 H new ATOM 1000 N GLU A 69 5.344 -6.817 -6.055 1.00 0.00 N ATOM 1001 CA GLU A 69 6.654 -7.239 -6.522 1.00 0.00 C ATOM 1002 C GLU A 69 7.742 -6.339 -5.934 1.00 0.00 C ATOM 1003 O GLU A 69 7.858 -5.173 -6.309 1.00 0.00 O ATOM 1004 CB GLU A 69 6.715 -7.246 -8.051 1.00 0.00 C ATOM 1005 CG GLU A 69 8.060 -7.784 -8.544 1.00 0.00 C ATOM 1006 CD GLU A 69 8.118 -7.797 -10.073 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.581 -8.764 -10.653 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.699 -6.838 -10.626 1.00 0.00 O ATOM 0 H GLU A 69 5.211 -5.807 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 69 6.829 -8.259 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.906 -7.860 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.563 -6.235 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.868 -7.167 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.214 -8.793 -8.162 1.00 0.00 H new ATOM 1015 N LEU A 70 8.513 -6.914 -5.023 1.00 0.00 N ATOM 1016 CA LEU A 70 9.588 -6.178 -4.380 1.00 0.00 C ATOM 1017 C LEU A 70 10.759 -6.038 -5.354 1.00 0.00 C ATOM 1018 O LEU A 70 11.251 -7.033 -5.885 1.00 0.00 O ATOM 1019 CB LEU A 70 9.968 -6.836 -3.052 1.00 0.00 C ATOM 1020 CG LEU A 70 8.826 -7.045 -2.055 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.824 -5.891 -2.121 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.152 -8.402 -2.270 1.00 0.00 C ATOM 0 H LEU A 70 8.415 -7.881 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 70 9.261 -5.169 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.419 -7.805 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.734 -6.226 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 70 9.246 -7.050 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.022 -6.064 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.330 -4.956 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.405 -5.830 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.344 -8.525 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.747 -8.451 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.884 -9.198 -2.134 1.00 0.00 H new ATOM 1034 N LEU A 71 11.171 -4.796 -5.560 1.00 0.00 N ATOM 1035 CA LEU A 71 12.276 -4.513 -6.461 1.00 0.00 C ATOM 1036 C LEU A 71 13.590 -4.551 -5.679 1.00 0.00 C ATOM 1037 O LEU A 71 13.603 -4.322 -4.470 1.00 0.00 O ATOM 1038 CB LEU A 71 12.039 -3.196 -7.202 1.00 0.00 C ATOM 1039 CG LEU A 71 11.180 -3.282 -8.465 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.156 -4.414 -8.357 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.516 -1.937 -8.770 1.00 0.00 C ATOM 0 H LEU A 71 10.760 -3.974 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 71 12.343 -5.279 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.568 -2.494 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.007 -2.775 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 71 11.833 -3.517 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.559 -4.453 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.675 -5.363 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.503 -4.234 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.911 -2.026 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.879 -1.648 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.284 -1.178 -8.921 1.00 0.00 H new