USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 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 30 THR OG1 : rot 136:sc= 0.062 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.362 X(o=-0.3,f=0.062) USER MOD Single : A 9 SER OG : rot 87:sc= -1.82! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0019 X(o=-0.0019,f=0) USER MOD Single : A 26 SER OG : rot 120:sc= -2.1 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 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= -1.19 (180deg=-3.72!) USER MOD Single : A 52 ASN : amide:sc= -0.0736 X(o=-0.074,f=0.0018) USER MOD Single : A 53 ASN : amide:sc= -0.0948 X(o=-0.095,f=-0.37) USER MOD Single : A 66 CYS SG : rot -76:sc= -5.35! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0842 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.061 1.518 4.285 1.00 0.00 N ATOM 79 CA SER A 9 -11.177 0.424 3.923 1.00 0.00 C ATOM 80 C SER A 9 -11.999 -0.799 3.510 1.00 0.00 C ATOM 81 O SER A 9 -13.227 -0.778 3.580 1.00 0.00 O ATOM 82 CB SER A 9 -10.239 0.068 5.079 1.00 0.00 C ATOM 83 OG SER A 9 -9.764 -1.272 4.987 1.00 0.00 O ATOM 0 HA SER A 9 -10.565 0.744 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.392 0.754 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.762 0.203 6.025 1.00 0.00 H new ATOM 0 HG SER A 9 -8.964 -1.297 4.422 1.00 0.00 H new ATOM 89 N LYS A 10 -11.288 -1.835 3.090 1.00 0.00 N ATOM 90 CA LYS A 10 -11.937 -3.065 2.666 1.00 0.00 C ATOM 91 C LYS A 10 -10.883 -4.161 2.499 1.00 0.00 C ATOM 92 O LYS A 10 -9.703 -3.869 2.311 1.00 0.00 O ATOM 93 CB LYS A 10 -12.776 -2.822 1.410 1.00 0.00 C ATOM 94 CG LYS A 10 -11.910 -2.296 0.264 1.00 0.00 C ATOM 95 CD LYS A 10 -12.490 -2.700 -1.092 1.00 0.00 C ATOM 96 CE LYS A 10 -12.842 -1.467 -1.927 1.00 0.00 C ATOM 97 NZ LYS A 10 -14.049 -1.722 -2.745 1.00 0.00 N ATOM 0 H LYS A 10 -10.270 -1.849 3.034 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.637 -3.409 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.261 -3.750 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.568 -2.106 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.841 -1.210 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.897 -2.686 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.769 -3.315 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.381 -3.310 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.014 -0.613 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.005 -1.208 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.274 -0.875 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.872 -2.523 -3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.850 -1.947 -2.121 1.00 0.00 H new ATOM 111 N PRO A 11 -11.358 -5.433 2.576 1.00 0.00 N ATOM 112 CA PRO A 11 -10.470 -6.574 2.435 1.00 0.00 C ATOM 113 C PRO A 11 -10.065 -6.777 0.973 1.00 0.00 C ATOM 114 O PRO A 11 -10.900 -7.117 0.136 1.00 0.00 O ATOM 115 CB PRO A 11 -11.247 -7.750 3.005 1.00 0.00 C ATOM 116 CG PRO A 11 -12.705 -7.320 3.015 1.00 0.00 C ATOM 117 CD PRO A 11 -12.750 -5.816 2.798 1.00 0.00 C ATOM 0 HA PRO A 11 -9.527 -6.441 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.107 -8.643 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.905 -7.994 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.260 -7.835 2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.174 -7.583 3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.373 -5.558 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.169 -5.303 3.664 1.00 0.00 H new ATOM 125 N ILE A 12 -8.785 -6.559 0.712 1.00 0.00 N ATOM 126 CA ILE A 12 -8.259 -6.713 -0.634 1.00 0.00 C ATOM 127 C ILE A 12 -7.328 -7.926 -0.677 1.00 0.00 C ATOM 128 O ILE A 12 -6.942 -8.454 0.365 1.00 0.00 O ATOM 129 CB ILE A 12 -7.601 -5.415 -1.104 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.336 -5.118 -0.296 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.593 -4.251 -1.065 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.410 -4.166 -1.057 1.00 0.00 C ATOM 0 H ILE A 12 -8.096 -6.277 1.409 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.067 -6.906 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.297 -5.543 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.608 -4.677 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.810 -6.048 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.099 -3.340 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.437 -4.471 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.950 -4.111 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.519 -3.971 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.121 -4.620 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.931 -3.228 -1.248 1.00 0.00 H new ATOM 144 N LYS A 13 -6.993 -8.332 -1.893 1.00 0.00 N ATOM 145 CA LYS A 13 -6.114 -9.473 -2.085 1.00 0.00 C ATOM 146 C LYS A 13 -4.820 -9.007 -2.755 1.00 0.00 C ATOM 147 O LYS A 13 -4.853 -8.201 -3.684 1.00 0.00 O ATOM 148 CB LYS A 13 -6.837 -10.584 -2.849 1.00 0.00 C ATOM 149 CG LYS A 13 -5.857 -11.673 -3.291 1.00 0.00 C ATOM 150 CD LYS A 13 -6.206 -13.017 -2.650 1.00 0.00 C ATOM 151 CE LYS A 13 -7.355 -13.699 -3.396 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.259 -14.381 -2.443 1.00 0.00 N ATOM 0 H LYS A 13 -7.314 -7.891 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.838 -9.907 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.611 -11.021 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.337 -10.164 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.878 -11.767 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.842 -11.387 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.329 -13.665 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.484 -12.865 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.913 -12.960 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.956 -14.421 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.033 -14.839 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.726 -15.100 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.654 -13.684 -1.780 1.00 0.00 H new ATOM 166 N VAL A 14 -3.710 -9.534 -2.259 1.00 0.00 N ATOM 167 CA VAL A 14 -2.408 -9.182 -2.798 1.00 0.00 C ATOM 168 C VAL A 14 -1.606 -10.459 -3.058 1.00 0.00 C ATOM 169 O VAL A 14 -1.341 -11.228 -2.135 1.00 0.00 O ATOM 170 CB VAL A 14 -1.696 -8.211 -1.855 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.243 -7.997 -2.283 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.445 -6.879 -1.772 1.00 0.00 C ATOM 0 H VAL A 14 -3.686 -10.203 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.517 -8.666 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.690 -8.655 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.240 -7.302 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.285 -8.950 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.218 -7.586 -3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.918 -6.207 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.497 -6.428 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.454 -7.052 -1.399 1.00 0.00 H new ATOM 182 N THR A 15 -1.242 -10.646 -4.318 1.00 0.00 N ATOM 183 CA THR A 15 -0.476 -11.816 -4.710 1.00 0.00 C ATOM 184 C THR A 15 1.024 -11.521 -4.640 1.00 0.00 C ATOM 185 O THR A 15 1.454 -10.404 -4.924 1.00 0.00 O ATOM 186 CB THR A 15 -0.946 -12.245 -6.102 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.257 -12.759 -5.883 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.161 -13.442 -6.642 1.00 0.00 C ATOM 0 H THR A 15 -1.464 -10.006 -5.081 1.00 0.00 H new ATOM 0 HA THR A 15 -0.644 -12.646 -4.024 1.00 0.00 H new ATOM 0 HB THR A 15 -0.849 -11.407 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.637 -13.059 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.534 -13.705 -7.632 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.896 -13.183 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.284 -14.291 -5.970 1.00 0.00 H new ATOM 196 N LEU A 16 1.778 -12.541 -4.259 1.00 0.00 N ATOM 197 CA LEU A 16 3.221 -12.404 -4.148 1.00 0.00 C ATOM 198 C LEU A 16 3.850 -12.533 -5.536 1.00 0.00 C ATOM 199 O LEU A 16 3.216 -13.033 -6.465 1.00 0.00 O ATOM 200 CB LEU A 16 3.776 -13.399 -3.126 1.00 0.00 C ATOM 201 CG LEU A 16 3.548 -13.047 -1.655 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.768 -14.268 -0.759 1.00 0.00 C ATOM 203 CD2 LEU A 16 4.419 -11.862 -1.233 1.00 0.00 C ATOM 0 H LEU A 16 1.418 -13.466 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 16 3.482 -11.415 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.330 -14.375 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.848 -13.501 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 16 2.509 -12.741 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.600 -13.991 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.071 -15.057 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.790 -14.627 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.237 -11.633 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.470 -12.115 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.171 -10.993 -1.842 1.00 0.00 H new ATOM 215 N PRO A 17 5.121 -12.061 -5.637 1.00 0.00 N ATOM 216 CA PRO A 17 5.843 -12.119 -6.897 1.00 0.00 C ATOM 217 C PRO A 17 6.311 -13.544 -7.196 1.00 0.00 C ATOM 218 O PRO A 17 6.965 -13.787 -8.209 1.00 0.00 O ATOM 219 CB PRO A 17 6.992 -11.137 -6.737 1.00 0.00 C ATOM 220 CG PRO A 17 7.145 -10.914 -5.241 1.00 0.00 C ATOM 221 CD PRO A 17 5.902 -11.463 -4.559 1.00 0.00 C ATOM 0 HA PRO A 17 5.222 -11.849 -7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.910 -11.536 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.779 -10.200 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.038 -11.417 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.263 -9.852 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.160 -12.202 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.344 -10.673 -4.057 1.00 0.00 H new ATOM 229 N ASP A 18 5.959 -14.450 -6.295 1.00 0.00 N ATOM 230 CA ASP A 18 6.335 -15.845 -6.450 1.00 0.00 C ATOM 231 C ASP A 18 5.104 -16.659 -6.852 1.00 0.00 C ATOM 232 O ASP A 18 5.226 -17.809 -7.272 1.00 0.00 O ATOM 233 CB ASP A 18 6.873 -16.419 -5.138 1.00 0.00 C ATOM 234 CG ASP A 18 8.210 -17.154 -5.253 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.903 -16.916 -6.266 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.509 -17.937 -4.326 1.00 0.00 O ATOM 0 H ASP A 18 5.417 -14.245 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 18 7.110 -15.902 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.984 -15.605 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.132 -17.106 -4.729 1.00 0.00 H new ATOM 241 N GLY A 19 3.946 -16.031 -6.709 1.00 0.00 N ATOM 242 CA GLY A 19 2.694 -16.683 -7.053 1.00 0.00 C ATOM 243 C GLY A 19 1.779 -16.792 -5.831 1.00 0.00 C ATOM 244 O GLY A 19 0.557 -16.745 -5.960 1.00 0.00 O ATOM 0 H GLY A 19 3.849 -15.078 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.191 -16.120 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.895 -17.678 -7.451 1.00 0.00 H new ATOM 248 N LYS A 20 2.407 -16.936 -4.673 1.00 0.00 N ATOM 249 CA LYS A 20 1.665 -17.052 -3.429 1.00 0.00 C ATOM 250 C LYS A 20 0.678 -15.888 -3.318 1.00 0.00 C ATOM 251 O LYS A 20 0.850 -14.860 -3.971 1.00 0.00 O ATOM 252 CB LYS A 20 2.624 -17.160 -2.242 1.00 0.00 C ATOM 253 CG LYS A 20 2.100 -18.155 -1.203 1.00 0.00 C ATOM 254 CD LYS A 20 3.166 -19.196 -0.856 1.00 0.00 C ATOM 255 CE LYS A 20 3.546 -19.119 0.624 1.00 0.00 C ATOM 256 NZ LYS A 20 4.758 -19.925 0.891 1.00 0.00 N ATOM 0 H LYS A 20 3.421 -16.975 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 20 1.078 -17.970 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.607 -17.477 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.750 -16.180 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.801 -17.621 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.211 -18.654 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.794 -20.194 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.051 -19.034 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.723 -18.081 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.720 -19.480 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.002 -19.862 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.577 -20.918 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.548 -19.563 0.320 1.00 0.00 H new ATOM 270 N GLN A 21 -0.334 -16.090 -2.488 1.00 0.00 N ATOM 271 CA GLN A 21 -1.349 -15.070 -2.283 1.00 0.00 C ATOM 272 C GLN A 21 -1.444 -14.705 -0.800 1.00 0.00 C ATOM 273 O GLN A 21 -1.158 -15.532 0.065 1.00 0.00 O ATOM 274 CB GLN A 21 -2.705 -15.529 -2.823 1.00 0.00 C ATOM 275 CG GLN A 21 -2.616 -15.866 -4.313 1.00 0.00 C ATOM 276 CD GLN A 21 -3.949 -16.408 -4.832 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.337 -17.534 -4.568 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.627 -15.546 -5.584 1.00 0.00 N ATOM 0 H GLN A 21 -0.473 -16.945 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.057 -14.179 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.044 -16.404 -2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.447 -14.746 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.338 -14.975 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.831 -16.604 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.245 -14.618 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.529 -15.813 -5.978 1.00 0.00 H new ATOM 287 N VAL A 22 -1.847 -13.468 -0.552 1.00 0.00 N ATOM 288 CA VAL A 22 -1.983 -12.984 0.811 1.00 0.00 C ATOM 289 C VAL A 22 -3.220 -12.089 0.909 1.00 0.00 C ATOM 290 O VAL A 22 -3.712 -11.591 -0.103 1.00 0.00 O ATOM 291 CB VAL A 22 -0.698 -12.277 1.246 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.757 -11.894 2.727 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.530 -13.141 0.952 1.00 0.00 C ATOM 0 H VAL A 22 -2.084 -12.786 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.129 -13.817 1.499 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.608 -11.359 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.169 -11.393 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.599 -11.223 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.883 -12.793 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.430 -12.615 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.450 -14.084 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.587 -13.341 -0.118 1.00 0.00 H new ATOM 303 N ASP A 23 -3.688 -11.912 2.136 1.00 0.00 N ATOM 304 CA ASP A 23 -4.858 -11.086 2.379 1.00 0.00 C ATOM 305 C ASP A 23 -4.412 -9.716 2.894 1.00 0.00 C ATOM 306 O ASP A 23 -3.582 -9.629 3.798 1.00 0.00 O ATOM 307 CB ASP A 23 -5.767 -11.716 3.436 1.00 0.00 C ATOM 308 CG ASP A 23 -6.999 -12.435 2.884 1.00 0.00 C ATOM 309 OD1 ASP A 23 -7.956 -11.720 2.514 1.00 0.00 O ATOM 310 OD2 ASP A 23 -6.957 -13.684 2.844 1.00 0.00 O ATOM 0 H ASP A 23 -3.278 -12.327 2.973 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.406 -10.993 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.182 -12.426 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.097 -10.935 4.121 1.00 0.00 H new ATOM 315 N ALA A 24 -4.983 -8.680 2.297 1.00 0.00 N ATOM 316 CA ALA A 24 -4.654 -7.319 2.684 1.00 0.00 C ATOM 317 C ALA A 24 -5.934 -6.482 2.724 1.00 0.00 C ATOM 318 O ALA A 24 -7.015 -6.979 2.412 1.00 0.00 O ATOM 319 CB ALA A 24 -3.615 -6.749 1.716 1.00 0.00 C ATOM 0 H ALA A 24 -5.671 -8.756 1.548 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.215 -7.299 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.368 -5.728 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.714 -7.362 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.021 -6.750 0.704 1.00 0.00 H new ATOM 325 N GLU A 25 -5.769 -5.225 3.110 1.00 0.00 N ATOM 326 CA GLU A 25 -6.898 -4.314 3.194 1.00 0.00 C ATOM 327 C GLU A 25 -6.522 -2.948 2.618 1.00 0.00 C ATOM 328 O GLU A 25 -5.446 -2.425 2.901 1.00 0.00 O ATOM 329 CB GLU A 25 -7.390 -4.183 4.637 1.00 0.00 C ATOM 330 CG GLU A 25 -8.053 -5.479 5.110 1.00 0.00 C ATOM 331 CD GLU A 25 -7.279 -6.097 6.276 1.00 0.00 C ATOM 332 OE1 GLU A 25 -6.041 -6.206 6.142 1.00 0.00 O ATOM 333 OE2 GLU A 25 -7.943 -6.446 7.276 1.00 0.00 O ATOM 0 H GLU A 25 -4.871 -4.816 3.368 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.716 -4.724 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.552 -3.940 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.100 -3.359 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.079 -5.276 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.102 -6.189 4.284 1.00 0.00 H new ATOM 340 N SER A 26 -7.431 -2.408 1.818 1.00 0.00 N ATOM 341 CA SER A 26 -7.208 -1.113 1.199 1.00 0.00 C ATOM 342 C SER A 26 -7.005 -0.046 2.276 1.00 0.00 C ATOM 343 O SER A 26 -7.743 -0.003 3.259 1.00 0.00 O ATOM 344 CB SER A 26 -8.375 -0.731 0.286 1.00 0.00 C ATOM 345 OG SER A 26 -9.634 -0.893 0.933 1.00 0.00 O ATOM 0 H SER A 26 -8.323 -2.844 1.585 1.00 0.00 H new ATOM 0 HA SER A 26 -6.309 -1.177 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.262 0.305 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.348 -1.346 -0.614 1.00 0.00 H new ATOM 0 HG SER A 26 -10.098 -0.031 0.966 1.00 0.00 H new ATOM 351 N TRP A 27 -6.001 0.790 2.055 1.00 0.00 N ATOM 352 CA TRP A 27 -5.693 1.854 2.995 1.00 0.00 C ATOM 353 C TRP A 27 -5.564 1.233 4.387 1.00 0.00 C ATOM 354 O TRP A 27 -5.980 1.831 5.378 1.00 0.00 O ATOM 355 CB TRP A 27 -6.743 2.965 2.930 1.00 0.00 C ATOM 356 CG TRP A 27 -7.229 3.281 1.514 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.331 2.829 0.900 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.579 4.141 0.554 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.439 3.333 -0.380 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.340 4.156 -0.597 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.389 4.881 0.655 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.995 4.895 -1.735 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.057 5.615 -0.490 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.812 5.641 -1.657 1.00 0.00 C ATOM 0 H TRP A 27 -5.391 0.752 1.239 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.748 2.333 2.739 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.599 2.678 3.541 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.326 3.871 3.370 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.045 2.155 1.350 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.188 3.138 -1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.778 4.883 1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.608 4.890 -2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.151 6.202 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.488 6.234 -2.500 1.00 0.00 H new ATOM 375 N LYS A 28 -4.986 0.041 4.417 1.00 0.00 N ATOM 376 CA LYS A 28 -4.798 -0.667 5.672 1.00 0.00 C ATOM 377 C LYS A 28 -3.418 -1.328 5.677 1.00 0.00 C ATOM 378 O LYS A 28 -2.558 -0.971 6.481 1.00 0.00 O ATOM 379 CB LYS A 28 -5.949 -1.646 5.912 1.00 0.00 C ATOM 380 CG LYS A 28 -7.055 -0.997 6.747 1.00 0.00 C ATOM 381 CD LYS A 28 -6.977 -1.449 8.206 1.00 0.00 C ATOM 382 CE LYS A 28 -7.959 -2.590 8.480 1.00 0.00 C ATOM 383 NZ LYS A 28 -8.083 -2.829 9.935 1.00 0.00 N ATOM 0 H LYS A 28 -4.642 -0.452 3.593 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.822 0.029 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.356 -1.976 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.576 -2.534 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.967 0.088 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.029 -1.258 6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.962 -1.775 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.198 -0.608 8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.935 -2.346 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.617 -3.499 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.753 -3.606 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.153 -3.083 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.430 -1.966 10.400 1.00 0.00 H new ATOM 397 N THR A 29 -3.249 -2.279 4.770 1.00 0.00 N ATOM 398 CA THR A 29 -1.988 -2.992 4.660 1.00 0.00 C ATOM 399 C THR A 29 -1.147 -2.417 3.519 1.00 0.00 C ATOM 400 O THR A 29 -1.684 -1.825 2.584 1.00 0.00 O ATOM 401 CB THR A 29 -2.300 -4.481 4.493 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.980 -4.830 5.696 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.040 -5.349 4.512 1.00 0.00 C ATOM 0 H THR A 29 -3.964 -2.572 4.105 1.00 0.00 H new ATOM 0 HA THR A 29 -1.385 -2.869 5.560 1.00 0.00 H new ATOM 0 HB THR A 29 -2.834 -4.637 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.221 -5.780 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.318 -6.396 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.381 -5.051 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.523 -5.219 5.463 1.00 0.00 H new ATOM 411 N THR A 30 0.159 -2.610 3.632 1.00 0.00 N ATOM 412 CA THR A 30 1.079 -2.118 2.622 1.00 0.00 C ATOM 413 C THR A 30 1.954 -3.258 2.096 1.00 0.00 C ATOM 414 O THR A 30 1.906 -4.372 2.615 1.00 0.00 O ATOM 415 CB THR A 30 1.883 -0.969 3.234 1.00 0.00 C ATOM 416 OG1 THR A 30 2.960 -1.617 3.905 1.00 0.00 O ATOM 417 CG2 THR A 30 1.123 -0.254 4.354 1.00 0.00 C ATOM 0 H THR A 30 0.602 -3.101 4.409 1.00 0.00 H new ATOM 0 HA THR A 30 0.544 -1.734 1.754 1.00 0.00 H new ATOM 0 HB THR A 30 2.141 -0.252 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.796 -1.141 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.738 0.552 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.195 0.159 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.894 -0.964 5.149 1.00 0.00 H new ATOM 425 N PRO A 31 2.752 -2.931 1.045 1.00 0.00 N ATOM 426 CA PRO A 31 3.636 -3.915 0.442 1.00 0.00 C ATOM 427 C PRO A 31 4.854 -4.175 1.331 1.00 0.00 C ATOM 428 O PRO A 31 5.516 -5.204 1.198 1.00 0.00 O ATOM 429 CB PRO A 31 4.004 -3.335 -0.914 1.00 0.00 C ATOM 430 CG PRO A 31 3.692 -1.850 -0.831 1.00 0.00 C ATOM 431 CD PRO A 31 2.835 -1.622 0.404 1.00 0.00 C ATOM 0 HA PRO A 31 3.164 -4.891 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.058 -3.501 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.432 -3.810 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.612 -1.269 -0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.166 -1.520 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.285 -0.884 1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.846 -1.249 0.137 1.00 0.00 H new ATOM 439 N TYR A 32 5.113 -3.226 2.218 1.00 0.00 N ATOM 440 CA TYR A 32 6.239 -3.339 3.129 1.00 0.00 C ATOM 441 C TYR A 32 5.953 -4.362 4.231 1.00 0.00 C ATOM 442 O TYR A 32 6.851 -5.083 4.662 1.00 0.00 O ATOM 443 CB TYR A 32 6.409 -1.958 3.764 1.00 0.00 C ATOM 444 CG TYR A 32 7.813 -1.692 4.310 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.913 -1.842 3.489 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.981 -1.304 5.624 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.234 -1.592 4.003 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.303 -1.054 6.137 1.00 0.00 C ATOM 449 CZ TYR A 32 10.364 -1.210 5.302 1.00 0.00 C ATOM 450 OH TYR A 32 11.613 -0.974 5.787 1.00 0.00 O ATOM 0 H TYR A 32 4.562 -2.374 2.325 1.00 0.00 H new ATOM 0 HA TYR A 32 7.132 -3.667 2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.169 -1.196 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.689 -1.851 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.782 -2.147 2.461 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.121 -1.188 6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.103 -1.705 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.448 -0.749 7.163 1.00 0.00 H new ATOM 0 HH TYR A 32 11.554 -0.708 6.728 1.00 0.00 H new ATOM 460 N GLN A 33 4.698 -4.392 4.654 1.00 0.00 N ATOM 461 CA GLN A 33 4.281 -5.315 5.697 1.00 0.00 C ATOM 462 C GLN A 33 4.191 -6.738 5.142 1.00 0.00 C ATOM 463 O GLN A 33 4.801 -7.659 5.683 1.00 0.00 O ATOM 464 CB GLN A 33 2.950 -4.881 6.313 1.00 0.00 C ATOM 465 CG GLN A 33 3.176 -4.012 7.551 1.00 0.00 C ATOM 466 CD GLN A 33 1.865 -3.380 8.024 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.330 -3.708 9.070 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.380 -2.458 7.198 1.00 0.00 N ATOM 0 H GLN A 33 3.956 -3.792 4.294 1.00 0.00 H new ATOM 0 HA GLN A 33 5.031 -5.302 6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.368 -4.327 5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.366 -5.761 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.602 -4.617 8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.900 -3.229 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.879 -2.231 6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.509 -1.978 7.425 1.00 0.00 H new ATOM 477 N ILE A 34 3.426 -6.873 4.068 1.00 0.00 N ATOM 478 CA ILE A 34 3.249 -8.168 3.434 1.00 0.00 C ATOM 479 C ILE A 34 4.588 -8.908 3.411 1.00 0.00 C ATOM 480 O ILE A 34 4.731 -9.960 4.032 1.00 0.00 O ATOM 481 CB ILE A 34 2.612 -8.005 2.053 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.221 -7.377 2.160 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.583 -9.338 1.302 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.224 -8.093 1.247 1.00 0.00 C ATOM 0 H ILE A 34 2.922 -6.107 3.621 1.00 0.00 H new ATOM 0 HA ILE A 34 2.556 -8.782 4.009 1.00 0.00 H new ATOM 0 HB ILE A 34 3.229 -7.321 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.874 -7.426 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.273 -6.322 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.125 -9.194 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.601 -9.707 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.002 -10.064 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.757 -7.627 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.561 -8.021 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.156 -9.142 1.534 1.00 0.00 H new ATOM 663 N ILE A 48 11.636 -1.183 -4.370 1.00 0.00 N ATOM 664 CA ILE A 48 10.391 -0.568 -4.797 1.00 0.00 C ATOM 665 C ILE A 48 9.352 -1.660 -5.062 1.00 0.00 C ATOM 666 O ILE A 48 9.593 -2.574 -5.849 1.00 0.00 O ATOM 667 CB ILE A 48 10.632 0.354 -5.994 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.340 1.639 -5.562 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.326 0.641 -6.738 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.382 2.569 -4.816 1.00 0.00 C ATOM 0 HA ILE A 48 9.991 0.069 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 48 11.293 -0.159 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.187 1.394 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.740 2.150 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.526 1.299 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.900 -0.295 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.621 1.124 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.911 3.475 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.549 2.832 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.003 2.064 -3.928 1.00 0.00 H new ATOM 682 N ALA A 49 8.218 -1.529 -4.388 1.00 0.00 N ATOM 683 CA ALA A 49 7.142 -2.492 -4.541 1.00 0.00 C ATOM 684 C ALA A 49 6.202 -2.029 -5.656 1.00 0.00 C ATOM 685 O ALA A 49 5.811 -0.864 -5.698 1.00 0.00 O ATOM 686 CB ALA A 49 6.419 -2.666 -3.203 1.00 0.00 C ATOM 0 H ALA A 49 8.022 -0.770 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 49 7.537 -3.466 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.611 -3.389 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.124 -3.025 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.007 -1.708 -2.885 1.00 0.00 H new ATOM 692 N LYS A 50 5.866 -2.966 -6.530 1.00 0.00 N ATOM 693 CA LYS A 50 4.980 -2.668 -7.642 1.00 0.00 C ATOM 694 C LYS A 50 3.561 -3.120 -7.293 1.00 0.00 C ATOM 695 O LYS A 50 3.361 -4.234 -6.811 1.00 0.00 O ATOM 696 CB LYS A 50 5.519 -3.281 -8.937 1.00 0.00 C ATOM 697 CG LYS A 50 6.570 -2.373 -9.577 1.00 0.00 C ATOM 698 CD LYS A 50 6.952 -2.875 -10.971 1.00 0.00 C ATOM 699 CE LYS A 50 7.577 -1.754 -11.805 1.00 0.00 C ATOM 700 NZ LYS A 50 8.988 -2.070 -12.123 1.00 0.00 N ATOM 0 H LYS A 50 6.191 -3.932 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 50 4.939 -1.593 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.956 -4.257 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.699 -3.443 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.184 -1.356 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.457 -2.335 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.655 -3.703 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.067 -3.260 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.011 -1.620 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.523 -0.813 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.593 -1.268 -11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.281 -2.918 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.083 -2.246 -13.144 1.00 0.00 H new ATOM 714 N VAL A 51 2.611 -2.232 -7.549 1.00 0.00 N ATOM 715 CA VAL A 51 1.216 -2.525 -7.267 1.00 0.00 C ATOM 716 C VAL A 51 0.411 -2.448 -8.565 1.00 0.00 C ATOM 717 O VAL A 51 0.062 -1.359 -9.020 1.00 0.00 O ATOM 718 CB VAL A 51 0.692 -1.583 -6.181 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.829 -1.685 -6.055 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.374 -1.859 -4.840 1.00 0.00 C ATOM 0 H VAL A 51 2.780 -1.309 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 51 1.110 -3.538 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 51 0.936 -0.562 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.176 -1.006 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.292 -1.415 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.105 -2.707 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.983 -1.176 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.176 -2.887 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.449 -1.711 -4.941 1.00 0.00 H new ATOM 730 N ASN A 52 0.139 -3.617 -9.126 1.00 0.00 N ATOM 731 CA ASN A 52 -0.619 -3.696 -10.363 1.00 0.00 C ATOM 732 C ASN A 52 0.308 -3.397 -11.543 1.00 0.00 C ATOM 733 O ASN A 52 -0.136 -2.889 -12.572 1.00 0.00 O ATOM 734 CB ASN A 52 -1.753 -2.669 -10.381 1.00 0.00 C ATOM 735 CG ASN A 52 -3.053 -3.295 -10.889 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.135 -3.808 -11.993 1.00 0.00 O ATOM 737 ND2 ASN A 52 -4.061 -3.226 -10.024 1.00 0.00 N ATOM 0 H ASN A 52 0.430 -4.518 -8.746 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.040 -4.699 -10.437 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.905 -2.272 -9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.477 -1.829 -11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.971 -3.617 -10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.924 -2.782 -9.116 1.00 0.00 H new ATOM 744 N ASN A 53 1.577 -3.726 -11.356 1.00 0.00 N ATOM 745 CA ASN A 53 2.570 -3.499 -12.392 1.00 0.00 C ATOM 746 C ASN A 53 2.917 -2.010 -12.443 1.00 0.00 C ATOM 747 O ASN A 53 3.389 -1.514 -13.465 1.00 0.00 O ATOM 748 CB ASN A 53 2.035 -3.908 -13.766 1.00 0.00 C ATOM 749 CG ASN A 53 2.998 -4.870 -14.465 1.00 0.00 C ATOM 750 OD1 ASN A 53 3.540 -5.788 -13.871 1.00 0.00 O ATOM 751 ND2 ASN A 53 3.179 -4.611 -15.757 1.00 0.00 N ATOM 0 H ASN A 53 1.941 -4.148 -10.502 1.00 0.00 H new ATOM 0 HA ASN A 53 3.449 -4.098 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.060 -4.381 -13.654 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.890 -3.021 -14.383 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.802 -5.197 -16.312 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.694 -3.826 -16.193 1.00 0.00 H new ATOM 758 N VAL A 54 2.669 -1.339 -11.328 1.00 0.00 N ATOM 759 CA VAL A 54 2.950 0.084 -11.233 1.00 0.00 C ATOM 760 C VAL A 54 3.730 0.361 -9.947 1.00 0.00 C ATOM 761 O VAL A 54 3.395 -0.166 -8.887 1.00 0.00 O ATOM 762 CB VAL A 54 1.647 0.881 -11.326 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.558 0.072 -12.034 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.181 1.332 -9.940 1.00 0.00 C ATOM 0 H VAL A 54 2.277 -1.754 -10.483 1.00 0.00 H new ATOM 0 HA VAL A 54 3.574 0.407 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 54 1.842 1.773 -11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.357 0.662 -12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.888 -0.177 -13.043 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.367 -0.846 -11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.253 1.896 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.012 0.458 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.945 1.963 -9.487 1.00 0.00 H new ATOM 774 N VAL A 55 4.757 1.188 -10.082 1.00 0.00 N ATOM 775 CA VAL A 55 5.588 1.541 -8.944 1.00 0.00 C ATOM 776 C VAL A 55 4.693 1.938 -7.768 1.00 0.00 C ATOM 777 O VAL A 55 3.773 2.739 -7.926 1.00 0.00 O ATOM 778 CB VAL A 55 6.577 2.639 -9.339 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.235 3.256 -8.103 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.630 2.104 -10.311 1.00 0.00 C ATOM 0 H VAL A 55 5.032 1.624 -10.962 1.00 0.00 H new ATOM 0 HA VAL A 55 6.183 0.685 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 55 6.019 3.425 -9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.933 4.034 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.468 3.691 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.773 2.484 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.321 2.905 -10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.181 1.291 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.140 1.735 -11.212 1.00 0.00 H new ATOM 790 N TRP A 56 4.993 1.358 -6.615 1.00 0.00 N ATOM 791 CA TRP A 56 4.227 1.641 -5.413 1.00 0.00 C ATOM 792 C TRP A 56 5.213 1.840 -4.260 1.00 0.00 C ATOM 793 O TRP A 56 6.287 1.240 -4.246 1.00 0.00 O ATOM 794 CB TRP A 56 3.205 0.535 -5.141 1.00 0.00 C ATOM 795 CG TRP A 56 1.919 1.027 -4.474 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.633 1.068 -3.165 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.750 1.549 -5.139 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.370 1.576 -2.940 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.184 1.878 -4.178 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.490 1.736 -6.508 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.441 2.414 -4.483 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.770 2.274 -6.796 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.722 2.610 -5.840 1.00 0.00 C ATOM 0 H TRP A 56 5.756 0.693 -6.488 1.00 0.00 H new ATOM 0 HA TRP A 56 3.643 2.554 -5.534 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.951 0.050 -6.083 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.665 -0.222 -4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.306 0.744 -2.385 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.075 1.706 -2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.206 1.484 -7.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.156 2.663 -3.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.020 2.440 -7.834 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.674 3.020 -6.143 1.00 0.00 H new ATOM 814 N ASP A 57 4.813 2.685 -3.321 1.00 0.00 N ATOM 815 CA ASP A 57 5.648 2.971 -2.167 1.00 0.00 C ATOM 816 C ASP A 57 5.397 1.916 -1.088 1.00 0.00 C ATOM 817 O ASP A 57 4.305 1.357 -1.003 1.00 0.00 O ATOM 818 CB ASP A 57 5.316 4.342 -1.573 1.00 0.00 C ATOM 819 CG ASP A 57 5.549 5.527 -2.513 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.662 5.591 -3.080 1.00 0.00 O ATOM 821 OD2 ASP A 57 4.610 6.341 -2.643 1.00 0.00 O ATOM 0 H ASP A 57 3.922 3.181 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 57 6.688 2.961 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.271 4.344 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.916 4.487 -0.674 1.00 0.00 H new ATOM 826 N LEU A 58 6.428 1.675 -0.290 1.00 0.00 N ATOM 827 CA LEU A 58 6.333 0.696 0.780 1.00 0.00 C ATOM 828 C LEU A 58 5.534 1.292 1.940 1.00 0.00 C ATOM 829 O LEU A 58 4.899 0.562 2.700 1.00 0.00 O ATOM 830 CB LEU A 58 7.725 0.204 1.181 1.00 0.00 C ATOM 831 CG LEU A 58 8.664 -0.162 0.029 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.118 0.156 0.385 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.482 -1.624 -0.382 1.00 0.00 C ATOM 0 H LEU A 58 7.333 2.141 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 58 5.793 -0.188 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.203 0.978 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.609 -0.671 1.821 1.00 0.00 H new ATOM 0 HG LEU A 58 8.402 0.451 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.764 -0.113 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.217 1.222 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.409 -0.413 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.161 -1.859 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.702 -2.271 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.453 -1.786 -0.704 1.00 0.00 H new ATOM 845 N ASP A 59 5.590 2.612 2.040 1.00 0.00 N ATOM 846 CA ASP A 59 4.879 3.314 3.095 1.00 0.00 C ATOM 847 C ASP A 59 3.428 3.536 2.665 1.00 0.00 C ATOM 848 O ASP A 59 2.550 3.729 3.506 1.00 0.00 O ATOM 849 CB ASP A 59 5.507 4.682 3.367 1.00 0.00 C ATOM 850 CG ASP A 59 6.405 4.747 4.604 1.00 0.00 C ATOM 851 OD1 ASP A 59 7.295 3.875 4.706 1.00 0.00 O ATOM 852 OD2 ASP A 59 6.182 5.668 5.419 1.00 0.00 O ATOM 0 H ASP A 59 6.117 3.214 1.407 1.00 0.00 H new ATOM 0 HA ASP A 59 4.932 2.708 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.092 4.976 2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.709 5.416 3.477 1.00 0.00 H new ATOM 857 N ARG A 60 3.220 3.503 1.357 1.00 0.00 N ATOM 858 CA ARG A 60 1.890 3.699 0.806 1.00 0.00 C ATOM 859 C ARG A 60 1.132 2.371 0.763 1.00 0.00 C ATOM 860 O ARG A 60 1.608 1.399 0.178 1.00 0.00 O ATOM 861 CB ARG A 60 1.960 4.284 -0.606 1.00 0.00 C ATOM 862 CG ARG A 60 0.563 4.629 -1.127 1.00 0.00 C ATOM 863 CD ARG A 60 0.644 5.544 -2.351 1.00 0.00 C ATOM 864 NE ARG A 60 -0.146 6.773 -2.117 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.181 7.814 -2.960 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.529 7.782 -4.095 1.00 0.00 N ATOM 867 NH2 ARG A 60 -0.927 8.889 -2.666 1.00 0.00 N ATOM 0 H ARG A 60 3.950 3.343 0.663 1.00 0.00 H new ATOM 0 HA ARG A 60 1.363 4.401 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.582 5.179 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.436 3.568 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.032 3.713 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.012 5.118 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.683 5.803 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.268 5.022 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.698 6.831 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.097 6.965 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.502 8.575 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.467 8.914 -1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.954 9.682 -3.307 1.00 0.00 H new ATOM 881 N PRO A 61 -0.066 2.372 1.406 1.00 0.00 N ATOM 882 CA PRO A 61 -0.895 1.179 1.447 1.00 0.00 C ATOM 883 C PRO A 61 -1.579 0.940 0.099 1.00 0.00 C ATOM 884 O PRO A 61 -1.912 1.889 -0.609 1.00 0.00 O ATOM 885 CB PRO A 61 -1.880 1.422 2.578 1.00 0.00 C ATOM 886 CG PRO A 61 -1.871 2.923 2.823 1.00 0.00 C ATOM 887 CD PRO A 61 -0.662 3.504 2.109 1.00 0.00 C ATOM 0 HA PRO A 61 -0.318 0.272 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.878 1.076 2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.586 0.878 3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.789 3.376 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.822 3.135 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.953 4.292 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.041 3.945 2.816 1.00 0.00 H new ATOM 895 N LEU A 62 -1.768 -0.333 -0.215 1.00 0.00 N ATOM 896 CA LEU A 62 -2.407 -0.709 -1.465 1.00 0.00 C ATOM 897 C LEU A 62 -3.741 0.029 -1.593 1.00 0.00 C ATOM 898 O LEU A 62 -4.156 0.733 -0.673 1.00 0.00 O ATOM 899 CB LEU A 62 -2.534 -2.230 -1.566 1.00 0.00 C ATOM 900 CG LEU A 62 -1.273 -3.032 -1.237 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.012 -2.241 -1.592 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.275 -3.481 0.226 1.00 0.00 C ATOM 0 H LEU A 62 -1.490 -1.117 0.375 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.792 -0.407 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.331 -2.553 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.847 -2.482 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.271 -3.933 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.870 -2.834 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.013 -2.014 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.007 -1.312 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.368 -4.049 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.312 -2.606 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.147 -4.108 0.413 1.00 0.00 H new ATOM 914 N GLU A 63 -4.376 -0.156 -2.741 1.00 0.00 N ATOM 915 CA GLU A 63 -5.654 0.484 -3.001 1.00 0.00 C ATOM 916 C GLU A 63 -6.761 -0.567 -3.108 1.00 0.00 C ATOM 917 O GLU A 63 -7.873 -0.354 -2.626 1.00 0.00 O ATOM 918 CB GLU A 63 -5.590 1.343 -4.265 1.00 0.00 C ATOM 919 CG GLU A 63 -5.136 2.767 -3.938 1.00 0.00 C ATOM 920 CD GLU A 63 -5.982 3.798 -4.687 1.00 0.00 C ATOM 921 OE1 GLU A 63 -6.534 3.420 -5.743 1.00 0.00 O ATOM 922 OE2 GLU A 63 -6.058 4.941 -4.187 1.00 0.00 O ATOM 0 H GLU A 63 -4.029 -0.740 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.885 1.144 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.901 0.893 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.570 1.370 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.213 2.939 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.087 2.889 -4.206 1.00 0.00 H new ATOM 929 N GLU A 64 -6.419 -1.679 -3.742 1.00 0.00 N ATOM 930 CA GLU A 64 -7.370 -2.763 -3.918 1.00 0.00 C ATOM 931 C GLU A 64 -6.676 -3.984 -4.525 1.00 0.00 C ATOM 932 O GLU A 64 -5.471 -3.960 -4.772 1.00 0.00 O ATOM 933 CB GLU A 64 -8.553 -2.320 -4.780 1.00 0.00 C ATOM 934 CG GLU A 64 -8.088 -1.898 -6.175 1.00 0.00 C ATOM 935 CD GLU A 64 -9.232 -1.261 -6.966 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.485 -0.059 -6.730 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.829 -1.989 -7.788 1.00 0.00 O ATOM 0 H GLU A 64 -5.496 -1.853 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.760 -3.040 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.272 -3.135 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.068 -1.489 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.263 -1.191 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.708 -2.766 -6.714 1.00 0.00 H new ATOM 944 N ASP A 65 -7.467 -5.024 -4.749 1.00 0.00 N ATOM 945 CA ASP A 65 -6.944 -6.252 -5.323 1.00 0.00 C ATOM 946 C ASP A 65 -5.938 -5.908 -6.423 1.00 0.00 C ATOM 947 O ASP A 65 -6.318 -5.413 -7.484 1.00 0.00 O ATOM 948 CB ASP A 65 -8.062 -7.087 -5.949 1.00 0.00 C ATOM 949 CG ASP A 65 -9.000 -6.317 -6.881 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.961 -5.718 -6.351 1.00 0.00 O ATOM 951 OD2 ASP A 65 -8.735 -6.345 -8.103 1.00 0.00 O ATOM 0 H ASP A 65 -8.466 -5.041 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.472 -6.823 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.613 -7.908 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.654 -7.532 -5.149 1.00 0.00 H new ATOM 956 N CYS A 66 -4.675 -6.183 -6.134 1.00 0.00 N ATOM 957 CA CYS A 66 -3.612 -5.909 -7.085 1.00 0.00 C ATOM 958 C CYS A 66 -2.472 -6.897 -6.830 1.00 0.00 C ATOM 959 O CYS A 66 -2.542 -7.707 -5.906 1.00 0.00 O ATOM 960 CB CYS A 66 -3.138 -4.457 -7.001 1.00 0.00 C ATOM 961 SG CYS A 66 -2.588 -4.076 -5.298 1.00 0.00 S ATOM 0 H CYS A 66 -4.364 -6.593 -5.254 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.986 -6.042 -8.100 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.320 -4.292 -7.702 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.946 -3.785 -7.290 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.626 -3.925 -4.530 1.00 0.00 H new ATOM 967 N THR A 67 -1.447 -6.798 -7.664 1.00 0.00 N ATOM 968 CA THR A 67 -0.294 -7.673 -7.540 1.00 0.00 C ATOM 969 C THR A 67 0.868 -6.932 -6.876 1.00 0.00 C ATOM 970 O THR A 67 1.048 -5.734 -7.089 1.00 0.00 O ATOM 971 CB THR A 67 0.044 -8.209 -8.933 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.192 -7.102 -9.798 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.948 -9.272 -9.408 1.00 0.00 C ATOM 0 H THR A 67 -1.391 -6.125 -8.428 1.00 0.00 H new ATOM 0 HA THR A 67 -0.509 -8.523 -6.892 1.00 0.00 H new ATOM 0 HB THR A 67 1.050 -8.629 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.004 -7.361 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.662 -9.618 -10.401 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.940 -10.113 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.949 -8.843 -9.448 1.00 0.00 H new ATOM 981 N LEU A 68 1.627 -7.676 -6.085 1.00 0.00 N ATOM 982 CA LEU A 68 2.767 -7.105 -5.388 1.00 0.00 C ATOM 983 C LEU A 68 4.056 -7.715 -5.941 1.00 0.00 C ATOM 984 O LEU A 68 4.116 -8.915 -6.204 1.00 0.00 O ATOM 985 CB LEU A 68 2.608 -7.271 -3.875 1.00 0.00 C ATOM 986 CG LEU A 68 3.855 -6.988 -3.035 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.291 -5.528 -3.174 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.633 -7.383 -1.573 1.00 0.00 C ATOM 0 H LEU A 68 1.475 -8.670 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 68 2.822 -6.031 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.810 -6.609 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.282 -8.292 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 68 4.669 -7.605 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.179 -5.354 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.518 -5.314 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.487 -4.874 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.535 -7.172 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.800 -6.812 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.407 -8.448 -1.514 1.00 0.00 H new ATOM 1000 N GLU A 69 5.056 -6.860 -6.103 1.00 0.00 N ATOM 1001 CA GLU A 69 6.340 -7.300 -6.621 1.00 0.00 C ATOM 1002 C GLU A 69 7.465 -6.430 -6.059 1.00 0.00 C ATOM 1003 O GLU A 69 7.432 -5.207 -6.186 1.00 0.00 O ATOM 1004 CB GLU A 69 6.348 -7.286 -8.151 1.00 0.00 C ATOM 1005 CG GLU A 69 7.712 -7.713 -8.696 1.00 0.00 C ATOM 1006 CD GLU A 69 7.658 -7.918 -10.211 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.674 -6.890 -10.923 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.601 -9.096 -10.624 1.00 0.00 O ATOM 0 H GLU A 69 5.002 -5.865 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 69 6.507 -8.328 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.576 -7.956 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.106 -6.286 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.457 -6.955 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.028 -8.637 -8.212 1.00 0.00 H new ATOM 1015 N LEU A 70 8.436 -7.094 -5.448 1.00 0.00 N ATOM 1016 CA LEU A 70 9.569 -6.396 -4.866 1.00 0.00 C ATOM 1017 C LEU A 70 10.699 -6.319 -5.895 1.00 0.00 C ATOM 1018 O LEU A 70 11.217 -7.346 -6.332 1.00 0.00 O ATOM 1019 CB LEU A 70 9.983 -7.053 -3.547 1.00 0.00 C ATOM 1020 CG LEU A 70 8.878 -7.209 -2.501 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.928 -6.010 -2.523 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.133 -8.533 -2.683 1.00 0.00 C ATOM 0 H LEU A 70 8.461 -8.108 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 70 9.296 -5.371 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.390 -8.040 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.790 -6.466 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 70 9.343 -7.234 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.152 -6.147 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.487 -5.099 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.468 -5.929 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.353 -8.618 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.682 -8.563 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.833 -9.362 -2.578 1.00 0.00 H new ATOM 1034 N LEU A 71 11.047 -5.092 -6.253 1.00 0.00 N ATOM 1035 CA LEU A 71 12.106 -4.868 -7.223 1.00 0.00 C ATOM 1036 C LEU A 71 13.462 -5.086 -6.550 1.00 0.00 C ATOM 1037 O LEU A 71 13.591 -4.926 -5.337 1.00 0.00 O ATOM 1038 CB LEU A 71 11.955 -3.490 -7.872 1.00 0.00 C ATOM 1039 CG LEU A 71 10.865 -3.366 -8.938 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.704 -4.321 -8.649 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.394 -1.917 -9.075 1.00 0.00 C ATOM 0 H LEU A 71 10.615 -4.243 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 71 12.035 -5.588 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.752 -2.761 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.909 -3.216 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 71 11.291 -3.658 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.943 -4.213 -9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.070 -5.348 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.271 -4.084 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.619 -1.857 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.991 -1.574 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.236 -1.286 -9.361 1.00 0.00 H new