USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 13 TYR OH : rot 30:sc= 0.146 USER MOD Set 1.2: A 34 THR OG1 : rot -65:sc= -0.188 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -116:sc= 0.106 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= -0.0117 (180deg=-0.15) USER MOD Single : A 2 SER OG : rot 171:sc= 0.0288 USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.118 (180deg=-0.783) USER MOD Single : A 12 LYS NZ :NH3+ -138:sc= 1.27 (180deg=-0.0993) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc=-0.00621 (180deg=-0.201) USER MOD Single : A 22 GLN : amide:sc= -6.65! C(o=-6.7!,f=-6.2!) USER MOD Single : A 24 SER OG : rot 69:sc= 0.0626 USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= -3.24! (180deg=-8.65!) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.266 (180deg=-1.24!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -129:sc= -5.12! USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= -9.24! (180deg=-11.9!) USER MOD Single : A 56 ASN : amide:sc= -0.884 X(o=-0.88,f=-0.43) USER MOD Single : A 62 SER OG : rot 180:sc= -1.06! USER MOD Single : A 67 GLN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -91:sc= 0.119 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -17.451 -5.739 5.278 1.00 0.00 N ATOM 2 CA MET A 0 -16.636 -6.503 4.292 1.00 0.00 C ATOM 3 C MET A 0 -17.345 -6.501 2.935 1.00 0.00 C ATOM 4 O MET A 0 -18.402 -5.923 2.781 1.00 0.00 O ATOM 5 CB MET A 0 -16.471 -7.945 4.774 1.00 0.00 C ATOM 6 CG MET A 0 -15.031 -8.167 5.238 1.00 0.00 C ATOM 7 SD MET A 0 -14.902 -7.791 7.003 1.00 0.00 S ATOM 8 CE MET A 0 -14.863 -9.500 7.595 1.00 0.00 C ATOM 0 H1 MET A 0 -16.922 -4.900 5.590 1.00 0.00 H new ATOM 0 H2 MET A 0 -18.343 -5.440 4.834 1.00 0.00 H new ATOM 0 H3 MET A 0 -17.658 -6.343 6.099 1.00 0.00 H new ATOM 0 HA MET A 0 -15.656 -6.037 4.194 1.00 0.00 H new ATOM 0 HB2 MET A 0 -17.163 -8.148 5.592 1.00 0.00 H new ATOM 0 HB3 MET A 0 -16.716 -8.639 3.970 1.00 0.00 H new ATOM 0 HG2 MET A 0 -14.733 -9.199 5.052 1.00 0.00 H new ATOM 0 HG3 MET A 0 -14.352 -7.532 4.669 1.00 0.00 H new ATOM 0 HE1 MET A 0 -14.784 -9.507 8.682 1.00 0.00 H new ATOM 0 HE2 MET A 0 -15.778 -10.010 7.294 1.00 0.00 H new ATOM 0 HE3 MET A 0 -14.003 -10.014 7.166 1.00 0.00 H new ATOM 18 N LYS A 1 -16.767 -7.148 1.954 1.00 0.00 N ATOM 19 CA LYS A 1 -17.397 -7.194 0.599 1.00 0.00 C ATOM 20 C LYS A 1 -18.028 -5.839 0.275 1.00 0.00 C ATOM 21 O LYS A 1 -19.169 -5.755 -0.135 1.00 0.00 O ATOM 22 CB LYS A 1 -18.476 -8.284 0.565 1.00 0.00 C ATOM 23 CG LYS A 1 -19.129 -8.413 1.943 1.00 0.00 C ATOM 24 CD LYS A 1 -20.117 -9.580 1.932 1.00 0.00 C ATOM 25 CE LYS A 1 -21.219 -9.326 2.961 1.00 0.00 C ATOM 26 NZ LYS A 1 -22.182 -8.326 2.419 1.00 0.00 N ATOM 0 H LYS A 1 -15.882 -7.649 2.034 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.631 -7.421 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.230 -8.038 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.034 -9.236 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.366 -8.575 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.645 -7.488 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -20.551 -9.693 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.599 -10.511 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.737 -10.257 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.785 -8.962 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -23.071 -8.373 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.776 -7.372 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -22.372 -8.534 1.418 1.00 0.00 H new ATOM 40 N SER A 2 -17.296 -4.776 0.461 1.00 0.00 N ATOM 41 CA SER A 2 -17.856 -3.429 0.169 1.00 0.00 C ATOM 42 C SER A 2 -16.810 -2.583 -0.566 1.00 0.00 C ATOM 43 O SER A 2 -15.626 -2.818 -0.443 1.00 0.00 O ATOM 44 CB SER A 2 -18.230 -2.742 1.482 1.00 0.00 C ATOM 45 OG SER A 2 -17.229 -3.012 2.454 1.00 0.00 O ATOM 0 H SER A 2 -16.335 -4.783 0.802 1.00 0.00 H new ATOM 0 HA SER A 2 -18.742 -3.533 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.325 -1.667 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.198 -3.101 1.831 1.00 0.00 H new ATOM 0 HG SER A 2 -17.387 -2.460 3.248 1.00 0.00 H new ATOM 51 N PRO A 3 -17.283 -1.618 -1.310 1.00 0.00 N ATOM 52 CA PRO A 3 -16.407 -0.713 -2.076 1.00 0.00 C ATOM 53 C PRO A 3 -15.552 0.129 -1.122 1.00 0.00 C ATOM 54 O PRO A 3 -14.494 0.610 -1.478 1.00 0.00 O ATOM 55 CB PRO A 3 -17.370 0.188 -2.863 1.00 0.00 C ATOM 56 CG PRO A 3 -18.817 -0.211 -2.472 1.00 0.00 C ATOM 57 CD PRO A 3 -18.727 -1.356 -1.452 1.00 0.00 C ATOM 0 HA PRO A 3 -15.720 -1.253 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.187 1.237 -2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.217 0.067 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.346 0.641 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.378 -0.526 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.174 -1.073 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.258 -2.241 -1.803 1.00 0.00 H new ATOM 65 N GLU A 4 -16.007 0.309 0.087 1.00 0.00 N ATOM 66 CA GLU A 4 -15.242 1.116 1.074 1.00 0.00 C ATOM 67 C GLU A 4 -14.157 0.254 1.700 1.00 0.00 C ATOM 68 O GLU A 4 -13.473 0.668 2.615 1.00 0.00 O ATOM 69 CB GLU A 4 -16.194 1.603 2.170 1.00 0.00 C ATOM 70 CG GLU A 4 -16.799 0.398 2.888 1.00 0.00 C ATOM 71 CD GLU A 4 -15.906 0.010 4.068 1.00 0.00 C ATOM 72 OE1 GLU A 4 -15.314 0.899 4.657 1.00 0.00 O ATOM 73 OE2 GLU A 4 -15.828 -1.172 4.362 1.00 0.00 O ATOM 0 H GLU A 4 -16.886 -0.074 0.435 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.786 1.970 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.657 2.232 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.984 2.216 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.803 0.636 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.894 -0.441 2.198 1.00 0.00 H new ATOM 80 N GLU A 5 -13.994 -0.945 1.228 1.00 0.00 N ATOM 81 CA GLU A 5 -12.959 -1.819 1.811 1.00 0.00 C ATOM 82 C GLU A 5 -11.593 -1.395 1.284 1.00 0.00 C ATOM 83 O GLU A 5 -10.568 -1.838 1.761 1.00 0.00 O ATOM 84 CB GLU A 5 -13.232 -3.271 1.420 1.00 0.00 C ATOM 85 CG GLU A 5 -13.210 -4.146 2.672 1.00 0.00 C ATOM 86 CD GLU A 5 -12.413 -5.420 2.390 1.00 0.00 C ATOM 87 OE1 GLU A 5 -11.196 -5.335 2.336 1.00 0.00 O ATOM 88 OE2 GLU A 5 -13.030 -6.461 2.233 1.00 0.00 O ATOM 0 H GLU A 5 -14.534 -1.353 0.465 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.976 -1.733 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.200 -3.350 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.481 -3.615 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.762 -3.600 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.228 -4.399 2.970 1.00 0.00 H new ATOM 95 N LEU A 6 -11.565 -0.523 0.310 1.00 0.00 N ATOM 96 CA LEU A 6 -10.253 -0.069 -0.221 1.00 0.00 C ATOM 97 C LEU A 6 -9.759 1.046 0.664 1.00 0.00 C ATOM 98 O LEU A 6 -8.806 0.920 1.400 1.00 0.00 O ATOM 99 CB LEU A 6 -10.406 0.442 -1.657 1.00 0.00 C ATOM 100 CG LEU A 6 -11.337 -0.481 -2.445 1.00 0.00 C ATOM 101 CD1 LEU A 6 -12.299 0.362 -3.287 1.00 0.00 C ATOM 102 CD2 LEU A 6 -10.501 -1.369 -3.364 1.00 0.00 C ATOM 0 H LEU A 6 -12.386 -0.111 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.546 -0.899 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.806 1.456 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.431 0.488 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.909 -1.101 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.963 -0.295 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.891 1.002 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.729 0.981 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.159 -2.030 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.933 -0.745 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.813 -1.967 -2.766 1.00 0.00 H new ATOM 114 N LYS A 7 -10.446 2.127 0.614 1.00 0.00 N ATOM 115 CA LYS A 7 -10.112 3.275 1.449 1.00 0.00 C ATOM 116 C LYS A 7 -10.294 2.913 2.933 1.00 0.00 C ATOM 117 O LYS A 7 -9.905 3.651 3.817 1.00 0.00 O ATOM 118 CB LYS A 7 -11.065 4.367 0.977 1.00 0.00 C ATOM 119 CG LYS A 7 -11.774 5.011 2.153 1.00 0.00 C ATOM 120 CD LYS A 7 -12.888 4.038 2.558 1.00 0.00 C ATOM 121 CE LYS A 7 -14.020 4.099 1.527 1.00 0.00 C ATOM 122 NZ LYS A 7 -14.641 5.453 1.543 1.00 0.00 N ATOM 0 H LYS A 7 -11.254 2.265 0.006 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.076 3.601 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.511 5.124 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.799 3.943 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.084 5.180 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.185 5.982 1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.494 3.024 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.268 4.295 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.632 3.878 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.771 3.341 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.620 5.390 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.641 5.824 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.097 6.092 0.929 1.00 0.00 H new ATOM 136 N GLY A 8 -10.892 1.784 3.208 1.00 0.00 N ATOM 137 CA GLY A 8 -11.110 1.381 4.623 1.00 0.00 C ATOM 138 C GLY A 8 -9.807 0.847 5.206 1.00 0.00 C ATOM 139 O GLY A 8 -9.748 0.446 6.352 1.00 0.00 O ATOM 0 H GLY A 8 -11.238 1.125 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.459 2.234 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.886 0.618 4.679 1.00 0.00 H new ATOM 143 N ILE A 9 -8.756 0.840 4.434 1.00 0.00 N ATOM 144 CA ILE A 9 -7.467 0.334 4.962 1.00 0.00 C ATOM 145 C ILE A 9 -6.374 1.375 4.732 1.00 0.00 C ATOM 146 O ILE A 9 -5.730 1.828 5.656 1.00 0.00 O ATOM 147 CB ILE A 9 -7.129 -1.004 4.295 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.743 -0.855 2.821 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.355 -1.910 4.380 1.00 0.00 C ATOM 150 CD1 ILE A 9 -5.247 -0.545 2.719 1.00 0.00 C ATOM 0 H ILE A 9 -8.737 1.162 3.466 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.543 0.163 6.036 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.271 -1.423 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.974 -1.772 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.324 -0.056 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.133 -2.868 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.617 -2.071 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.192 -1.439 3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.968 -0.438 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.031 0.383 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.676 -1.359 3.165 1.00 0.00 H new ATOM 162 N PHE A 10 -6.184 1.772 3.519 1.00 0.00 N ATOM 163 CA PHE A 10 -5.159 2.806 3.211 1.00 0.00 C ATOM 164 C PHE A 10 -5.336 3.981 4.165 1.00 0.00 C ATOM 165 O PHE A 10 -4.471 4.318 4.946 1.00 0.00 O ATOM 166 CB PHE A 10 -5.388 3.332 1.805 1.00 0.00 C ATOM 167 CG PHE A 10 -4.258 4.261 1.437 1.00 0.00 C ATOM 168 CD1 PHE A 10 -2.992 3.744 1.140 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.476 5.643 1.404 1.00 0.00 C ATOM 170 CE1 PHE A 10 -1.944 4.612 0.809 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.427 6.511 1.076 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.160 5.993 0.778 1.00 0.00 C ATOM 0 H PHE A 10 -6.699 1.424 2.710 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.166 2.367 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.440 2.504 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.341 3.859 1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.823 2.678 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.454 6.041 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.967 4.214 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.595 7.578 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.350 6.661 0.524 1.00 0.00 H new ATOM 182 N GLU A 11 -6.463 4.618 4.063 1.00 0.00 N ATOM 183 CA GLU A 11 -6.760 5.802 4.923 1.00 0.00 C ATOM 184 C GLU A 11 -6.284 5.555 6.360 1.00 0.00 C ATOM 185 O GLU A 11 -5.668 6.408 6.968 1.00 0.00 O ATOM 186 CB GLU A 11 -8.271 6.064 4.924 1.00 0.00 C ATOM 187 CG GLU A 11 -8.616 7.073 6.023 1.00 0.00 C ATOM 188 CD GLU A 11 -10.103 7.430 5.945 1.00 0.00 C ATOM 189 OE1 GLU A 11 -10.916 6.557 6.201 1.00 0.00 O ATOM 190 OE2 GLU A 11 -10.402 8.570 5.633 1.00 0.00 O ATOM 0 H GLU A 11 -7.206 4.368 3.411 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.233 6.668 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.585 6.447 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.812 5.132 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.383 6.653 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.010 7.972 5.909 1.00 0.00 H new ATOM 197 N LYS A 12 -6.563 4.405 6.911 1.00 0.00 N ATOM 198 CA LYS A 12 -6.119 4.129 8.311 1.00 0.00 C ATOM 199 C LYS A 12 -4.590 4.126 8.352 1.00 0.00 C ATOM 200 O LYS A 12 -3.979 4.621 9.278 1.00 0.00 O ATOM 201 CB LYS A 12 -6.682 2.769 8.784 1.00 0.00 C ATOM 202 CG LYS A 12 -5.633 1.651 8.644 1.00 0.00 C ATOM 203 CD LYS A 12 -4.590 1.777 9.764 1.00 0.00 C ATOM 204 CE LYS A 12 -4.819 0.681 10.806 1.00 0.00 C ATOM 205 NZ LYS A 12 -3.965 -0.498 10.484 1.00 0.00 N ATOM 0 H LYS A 12 -7.075 3.648 6.458 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.494 4.902 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.998 2.846 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.567 2.516 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.118 0.676 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.146 1.716 7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.585 1.694 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.662 2.759 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.580 1.055 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.869 0.390 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.512 -1.371 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.652 -0.440 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.135 -0.506 11.110 1.00 0.00 H new ATOM 219 N TYR A 13 -3.971 3.561 7.350 1.00 0.00 N ATOM 220 CA TYR A 13 -2.485 3.510 7.318 1.00 0.00 C ATOM 221 C TYR A 13 -1.918 4.892 7.012 1.00 0.00 C ATOM 222 O TYR A 13 -0.732 5.057 6.811 1.00 0.00 O ATOM 223 CB TYR A 13 -2.031 2.508 6.262 1.00 0.00 C ATOM 224 CG TYR A 13 -2.152 1.134 6.857 1.00 0.00 C ATOM 225 CD1 TYR A 13 -1.210 0.699 7.794 1.00 0.00 C ATOM 226 CD2 TYR A 13 -3.219 0.307 6.499 1.00 0.00 C ATOM 227 CE1 TYR A 13 -1.334 -0.565 8.375 1.00 0.00 C ATOM 228 CE2 TYR A 13 -3.343 -0.960 7.075 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.401 -1.398 8.015 1.00 0.00 C ATOM 230 OH TYR A 13 -2.526 -2.648 8.588 1.00 0.00 O ATOM 0 H TYR A 13 -4.435 3.131 6.550 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.116 3.193 8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.645 2.592 5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.002 2.707 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.386 1.341 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.948 0.646 5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.608 -0.900 9.101 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.165 -1.602 6.795 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.149 -2.633 9.492 1.00 0.00 H new ATOM 240 N ASP A 15 -2.751 5.896 7.015 1.00 0.00 N ATOM 241 CA ASP A 15 -2.273 7.269 6.773 1.00 0.00 C ATOM 242 C ASP A 15 -1.769 7.834 8.105 1.00 0.00 C ATOM 243 O ASP A 15 -1.979 8.988 8.420 1.00 0.00 O ATOM 244 CB ASP A 15 -3.447 8.105 6.267 1.00 0.00 C ATOM 245 CG ASP A 15 -2.957 9.102 5.217 1.00 0.00 C ATOM 246 OD1 ASP A 15 -2.138 8.717 4.398 1.00 0.00 O ATOM 247 OD2 ASP A 15 -3.410 10.235 5.248 1.00 0.00 O ATOM 0 H ASP A 15 -3.754 5.813 7.178 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.471 7.285 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.210 7.455 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.912 8.636 7.097 1.00 0.00 H new ATOM 252 N LYS A 16 -1.122 7.011 8.898 1.00 0.00 N ATOM 253 CA LYS A 16 -0.613 7.471 10.221 1.00 0.00 C ATOM 254 C LYS A 16 0.720 8.209 10.038 1.00 0.00 C ATOM 255 O LYS A 16 1.665 7.985 10.768 1.00 0.00 O ATOM 256 CB LYS A 16 -0.392 6.259 11.148 1.00 0.00 C ATOM 257 CG LYS A 16 -1.199 5.041 10.663 1.00 0.00 C ATOM 258 CD LYS A 16 -1.336 4.029 11.804 1.00 0.00 C ATOM 259 CE LYS A 16 -2.224 4.614 12.906 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.406 4.852 14.130 1.00 0.00 N ATOM 0 H LYS A 16 -0.926 6.034 8.679 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.347 8.143 10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.668 6.009 11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.689 6.515 12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.185 5.357 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.702 4.578 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.767 3.100 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.353 3.784 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.673 5.548 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.042 3.930 13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.874 5.564 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.310 3.963 14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.463 5.195 13.856 1.00 0.00 H new ATOM 274 N GLU A 17 0.807 9.092 9.077 1.00 0.00 N ATOM 275 CA GLU A 17 2.079 9.838 8.861 1.00 0.00 C ATOM 276 C GLU A 17 1.794 11.341 8.919 1.00 0.00 C ATOM 277 O GLU A 17 2.574 12.113 9.442 1.00 0.00 O ATOM 278 CB GLU A 17 2.663 9.494 7.490 1.00 0.00 C ATOM 279 CG GLU A 17 2.290 8.061 7.114 1.00 0.00 C ATOM 280 CD GLU A 17 1.285 8.088 5.962 1.00 0.00 C ATOM 281 OE1 GLU A 17 0.655 9.116 5.774 1.00 0.00 O ATOM 282 OE2 GLU A 17 1.161 7.083 5.288 1.00 0.00 O ATOM 0 H GLU A 17 0.051 9.328 8.433 1.00 0.00 H new ATOM 0 HA GLU A 17 2.793 9.560 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.284 10.187 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.747 9.605 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.181 7.505 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.861 7.547 7.974 1.00 0.00 H new ATOM 289 N GLY A 18 0.674 11.756 8.392 1.00 0.00 N ATOM 290 CA GLY A 18 0.320 13.196 8.414 1.00 0.00 C ATOM 291 C GLY A 18 0.646 13.854 7.067 1.00 0.00 C ATOM 292 O GLY A 18 1.140 14.964 7.020 1.00 0.00 O ATOM 0 H GLY A 18 -0.014 11.150 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.741 13.312 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.867 13.698 9.212 1.00 0.00 H new ATOM 296 N ASP A 19 0.369 13.196 5.968 1.00 0.00 N ATOM 297 CA ASP A 19 0.668 13.823 4.646 1.00 0.00 C ATOM 298 C ASP A 19 -0.390 13.412 3.610 1.00 0.00 C ATOM 299 O ASP A 19 -0.861 14.231 2.845 1.00 0.00 O ATOM 300 CB ASP A 19 2.062 13.397 4.171 1.00 0.00 C ATOM 301 CG ASP A 19 2.131 11.873 4.092 1.00 0.00 C ATOM 302 OD1 ASP A 19 1.650 11.230 5.011 1.00 0.00 O ATOM 303 OD2 ASP A 19 2.664 11.373 3.115 1.00 0.00 O ATOM 0 H ASP A 19 -0.045 12.265 5.929 1.00 0.00 H new ATOM 0 HA ASP A 19 0.645 14.907 4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.273 13.832 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.822 13.771 4.858 1.00 0.00 H new ATOM 308 N GLY A 20 -0.778 12.161 3.576 1.00 0.00 N ATOM 309 CA GLY A 20 -1.807 11.733 2.590 1.00 0.00 C ATOM 310 C GLY A 20 -1.395 10.405 1.951 1.00 0.00 C ATOM 311 O GLY A 20 -2.224 9.643 1.494 1.00 0.00 O ATOM 0 H GLY A 20 -0.426 11.424 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.773 11.625 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.925 12.496 1.820 1.00 0.00 H new ATOM 315 N GLN A 22 -0.121 10.125 1.903 1.00 0.00 N ATOM 316 CA GLN A 22 0.338 8.856 1.282 1.00 0.00 C ATOM 317 C GLN A 22 1.239 8.082 2.244 1.00 0.00 C ATOM 318 O GLN A 22 1.549 8.537 3.327 1.00 0.00 O ATOM 319 CB GLN A 22 1.103 9.182 -0.001 1.00 0.00 C ATOM 320 CG GLN A 22 2.105 10.303 0.274 1.00 0.00 C ATOM 321 CD GLN A 22 2.726 10.756 -1.047 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.076 11.909 -1.206 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.878 9.889 -2.011 1.00 0.00 N ATOM 0 H GLN A 22 0.620 10.723 2.268 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.527 8.234 1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.624 8.295 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.408 9.485 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.607 11.141 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.882 9.954 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.584 8.921 -1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.290 10.179 -2.898 1.00 0.00 H new ATOM 332 N LEU A 23 1.634 6.893 1.864 1.00 0.00 N ATOM 333 CA LEU A 23 2.478 6.067 2.760 1.00 0.00 C ATOM 334 C LEU A 23 3.903 5.936 2.271 1.00 0.00 C ATOM 335 O LEU A 23 4.151 5.518 1.158 1.00 0.00 O ATOM 336 CB LEU A 23 2.004 4.622 2.758 1.00 0.00 C ATOM 337 CG LEU A 23 0.506 4.483 2.881 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.151 3.124 2.267 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.138 4.485 4.369 1.00 0.00 C ATOM 0 H LEU A 23 1.404 6.463 0.968 1.00 0.00 H new ATOM 0 HA LEU A 23 2.414 6.566 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.332 4.141 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.480 4.090 3.582 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.026 5.293 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.926 2.967 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.462 3.104 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.664 2.333 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.942 4.385 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.631 3.650 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.463 5.421 4.823 1.00 0.00 H new ATOM 351 N SER A 24 4.838 6.095 3.144 1.00 0.00 N ATOM 352 CA SER A 24 6.212 5.758 2.747 1.00 0.00 C ATOM 353 C SER A 24 6.175 4.241 2.903 1.00 0.00 C ATOM 354 O SER A 24 5.251 3.744 3.516 1.00 0.00 O ATOM 355 CB SER A 24 7.224 6.385 3.711 1.00 0.00 C ATOM 356 OG SER A 24 8.541 6.123 3.246 1.00 0.00 O ATOM 0 H SER A 24 4.715 6.437 4.097 1.00 0.00 H new ATOM 0 HA SER A 24 6.507 6.109 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.058 7.460 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.091 5.975 4.712 1.00 0.00 H new ATOM 0 HG SER A 24 8.703 6.626 2.421 1.00 0.00 H new ATOM 362 N LYS A 25 7.073 3.461 2.394 1.00 0.00 N ATOM 363 CA LYS A 25 6.872 2.000 2.628 1.00 0.00 C ATOM 364 C LYS A 25 6.781 1.699 4.132 1.00 0.00 C ATOM 365 O LYS A 25 6.419 0.611 4.526 1.00 0.00 O ATOM 366 CB LYS A 25 7.961 1.151 1.971 1.00 0.00 C ATOM 367 CG LYS A 25 7.370 0.452 0.758 1.00 0.00 C ATOM 368 CD LYS A 25 7.458 -1.057 0.981 1.00 0.00 C ATOM 369 CE LYS A 25 8.928 -1.475 1.042 1.00 0.00 C ATOM 370 NZ LYS A 25 9.062 -2.682 1.902 1.00 0.00 N ATOM 0 H LYS A 25 7.894 3.739 1.856 1.00 0.00 H new ATOM 0 HA LYS A 25 5.927 1.727 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.801 1.779 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.347 0.417 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.333 0.754 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.912 0.734 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.952 -1.329 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.951 -1.586 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.300 -1.686 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.533 -0.661 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.635 -2.450 2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.119 -2.999 2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.526 -3.442 1.364 1.00 0.00 H new ATOM 384 N GLU A 26 7.078 2.646 4.983 1.00 0.00 N ATOM 385 CA GLU A 26 6.967 2.381 6.444 1.00 0.00 C ATOM 386 C GLU A 26 5.499 2.092 6.787 1.00 0.00 C ATOM 387 O GLU A 26 5.202 1.261 7.618 1.00 0.00 O ATOM 388 CB GLU A 26 7.446 3.606 7.227 1.00 0.00 C ATOM 389 CG GLU A 26 8.828 4.028 6.726 1.00 0.00 C ATOM 390 CD GLU A 26 9.906 3.336 7.562 1.00 0.00 C ATOM 391 OE1 GLU A 26 9.877 2.119 7.639 1.00 0.00 O ATOM 392 OE2 GLU A 26 10.740 4.034 8.113 1.00 0.00 O ATOM 0 H GLU A 26 7.390 3.584 4.730 1.00 0.00 H new ATOM 0 HA GLU A 26 7.585 1.523 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.738 4.426 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.489 3.376 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.942 3.763 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.937 5.110 6.796 1.00 0.00 H new ATOM 399 N GLU A 27 4.580 2.785 6.157 1.00 0.00 N ATOM 400 CA GLU A 27 3.127 2.570 6.436 1.00 0.00 C ATOM 401 C GLU A 27 2.545 1.485 5.511 1.00 0.00 C ATOM 402 O GLU A 27 1.549 0.867 5.829 1.00 0.00 O ATOM 403 CB GLU A 27 2.388 3.889 6.229 1.00 0.00 C ATOM 404 CG GLU A 27 2.737 4.842 7.371 1.00 0.00 C ATOM 405 CD GLU A 27 4.219 5.217 7.288 1.00 0.00 C ATOM 406 OE1 GLU A 27 4.607 5.798 6.288 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.940 4.916 8.225 1.00 0.00 O ATOM 0 H GLU A 27 4.779 3.497 5.454 1.00 0.00 H new ATOM 0 HA GLU A 27 3.005 2.232 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.667 4.330 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.312 3.717 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.120 5.739 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.523 4.371 8.330 1.00 0.00 H new ATOM 414 N LEU A 28 3.152 1.242 4.375 1.00 0.00 N ATOM 415 CA LEU A 28 2.624 0.197 3.452 1.00 0.00 C ATOM 416 C LEU A 28 3.087 -1.185 3.930 1.00 0.00 C ATOM 417 O LEU A 28 2.280 -2.043 4.222 1.00 0.00 O ATOM 418 CB LEU A 28 3.154 0.481 2.049 1.00 0.00 C ATOM 419 CG LEU A 28 2.042 0.297 1.015 1.00 0.00 C ATOM 420 CD1 LEU A 28 2.338 1.167 -0.212 1.00 0.00 C ATOM 421 CD2 LEU A 28 1.972 -1.169 0.586 1.00 0.00 C ATOM 0 H LEU A 28 3.990 1.724 4.050 1.00 0.00 H new ATOM 0 HA LEU A 28 1.534 0.212 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.542 1.498 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.984 -0.189 1.824 1.00 0.00 H new ATOM 0 HG LEU A 28 1.090 0.592 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.546 1.037 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.386 2.214 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.292 0.870 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.178 -1.295 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.925 -1.466 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.763 -1.793 1.455 1.00 0.00 H new ATOM 433 N LYS A 29 4.378 -1.403 4.023 1.00 0.00 N ATOM 434 CA LYS A 29 4.886 -2.720 4.504 1.00 0.00 C ATOM 435 C LYS A 29 4.005 -3.203 5.656 1.00 0.00 C ATOM 436 O LYS A 29 3.821 -4.386 5.864 1.00 0.00 O ATOM 437 CB LYS A 29 6.316 -2.540 5.008 1.00 0.00 C ATOM 438 CG LYS A 29 6.975 -3.903 5.201 1.00 0.00 C ATOM 439 CD LYS A 29 8.483 -3.749 5.022 1.00 0.00 C ATOM 440 CE LYS A 29 9.060 -2.939 6.187 1.00 0.00 C ATOM 441 NZ LYS A 29 8.497 -3.441 7.474 1.00 0.00 N ATOM 0 H LYS A 29 5.100 -0.722 3.785 1.00 0.00 H new ATOM 0 HA LYS A 29 4.865 -3.449 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.890 -1.947 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.312 -1.992 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.751 -4.294 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.580 -4.619 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.956 -4.730 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.698 -3.250 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.147 -3.022 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.822 -1.883 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.112 -3.148 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.545 -3.047 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.441 -4.479 7.447 1.00 0.00 H new ATOM 455 N LEU A 30 3.448 -2.284 6.393 1.00 0.00 N ATOM 456 CA LEU A 30 2.560 -2.664 7.524 1.00 0.00 C ATOM 457 C LEU A 30 1.214 -3.088 6.949 1.00 0.00 C ATOM 458 O LEU A 30 0.685 -4.131 7.274 1.00 0.00 O ATOM 459 CB LEU A 30 2.358 -1.467 8.456 1.00 0.00 C ATOM 460 CG LEU A 30 3.597 -0.569 8.430 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.436 0.542 9.470 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.836 -1.404 8.769 1.00 0.00 C ATOM 0 H LEU A 30 3.571 -1.280 6.259 1.00 0.00 H new ATOM 0 HA LEU A 30 3.009 -3.479 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.480 -0.899 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.172 -1.814 9.472 1.00 0.00 H new ATOM 0 HG LEU A 30 3.712 -0.131 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.316 1.185 9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.551 1.134 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.326 0.100 10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.720 -0.767 8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.722 -1.838 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.949 -2.202 8.035 1.00 0.00 H new ATOM 474 N LEU A 31 0.663 -2.284 6.082 1.00 0.00 N ATOM 475 CA LEU A 31 -0.641 -2.631 5.460 1.00 0.00 C ATOM 476 C LEU A 31 -0.633 -4.119 5.095 1.00 0.00 C ATOM 477 O LEU A 31 -1.549 -4.853 5.414 1.00 0.00 O ATOM 478 CB LEU A 31 -0.833 -1.773 4.197 1.00 0.00 C ATOM 479 CG LEU A 31 -1.834 -2.428 3.237 1.00 0.00 C ATOM 480 CD1 LEU A 31 -1.120 -3.506 2.415 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.986 -3.058 4.029 1.00 0.00 C ATOM 0 H LEU A 31 1.064 -1.397 5.777 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.460 -2.436 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.187 -0.781 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.125 -1.639 3.694 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.240 -1.669 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.830 -3.973 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.311 -3.051 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.710 -4.262 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.692 -3.521 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.591 -3.815 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.496 -2.286 4.606 1.00 0.00 H new ATOM 493 N LEU A 32 0.395 -4.566 4.430 1.00 0.00 N ATOM 494 CA LEU A 32 0.467 -5.999 4.047 1.00 0.00 C ATOM 495 C LEU A 32 0.177 -6.877 5.270 1.00 0.00 C ATOM 496 O LEU A 32 -0.614 -7.798 5.217 1.00 0.00 O ATOM 497 CB LEU A 32 1.868 -6.278 3.466 1.00 0.00 C ATOM 498 CG LEU A 32 2.707 -7.204 4.359 1.00 0.00 C ATOM 499 CD1 LEU A 32 2.136 -8.623 4.302 1.00 0.00 C ATOM 500 CD2 LEU A 32 4.153 -7.221 3.855 1.00 0.00 C ATOM 0 H LEU A 32 1.189 -3.998 4.136 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.281 -6.235 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.764 -6.728 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.396 -5.334 3.332 1.00 0.00 H new ATOM 0 HG LEU A 32 2.680 -6.841 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.731 -9.280 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.105 -8.615 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.165 -8.986 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.751 -7.878 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.176 -7.586 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.563 -6.212 3.891 1.00 0.00 H new ATOM 512 N GLN A 33 0.825 -6.603 6.362 1.00 0.00 N ATOM 513 CA GLN A 33 0.608 -7.422 7.590 1.00 0.00 C ATOM 514 C GLN A 33 -0.885 -7.679 7.773 1.00 0.00 C ATOM 515 O GLN A 33 -1.399 -8.710 7.388 1.00 0.00 O ATOM 516 CB GLN A 33 1.153 -6.679 8.813 1.00 0.00 C ATOM 517 CG GLN A 33 2.648 -6.969 8.953 1.00 0.00 C ATOM 518 CD GLN A 33 3.010 -7.068 10.435 1.00 0.00 C ATOM 519 OE1 GLN A 33 3.616 -8.032 10.862 1.00 0.00 O ATOM 520 NE2 GLN A 33 2.664 -6.105 11.245 1.00 0.00 N ATOM 0 H GLN A 33 1.500 -5.844 6.462 1.00 0.00 H new ATOM 0 HA GLN A 33 1.132 -8.372 7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.987 -5.607 8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.623 -6.996 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.898 -7.899 8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.229 -6.179 8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.156 -5.296 10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.902 -6.161 12.235 1.00 0.00 H new ATOM 529 N THR A 34 -1.588 -6.751 8.357 1.00 0.00 N ATOM 530 CA THR A 34 -3.049 -6.946 8.561 1.00 0.00 C ATOM 531 C THR A 34 -3.816 -6.227 7.449 1.00 0.00 C ATOM 532 O THR A 34 -3.382 -5.208 6.949 1.00 0.00 O ATOM 533 CB THR A 34 -3.475 -6.375 9.924 1.00 0.00 C ATOM 534 OG1 THR A 34 -4.082 -5.104 9.735 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.255 -6.224 10.837 1.00 0.00 C ATOM 0 H THR A 34 -1.215 -5.867 8.702 1.00 0.00 H new ATOM 0 HA THR A 34 -3.272 -8.013 8.536 1.00 0.00 H new ATOM 0 HB THR A 34 -4.186 -7.058 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.419 -4.474 9.384 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.568 -5.819 11.799 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.790 -7.198 10.988 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.536 -5.547 10.375 1.00 0.00 H new ATOM 543 N GLU A 35 -4.953 -6.758 7.075 1.00 0.00 N ATOM 544 CA GLU A 35 -5.793 -6.134 6.006 1.00 0.00 C ATOM 545 C GLU A 35 -5.415 -6.697 4.636 1.00 0.00 C ATOM 546 O GLU A 35 -6.231 -6.743 3.737 1.00 0.00 O ATOM 547 CB GLU A 35 -5.620 -4.613 6.001 1.00 0.00 C ATOM 548 CG GLU A 35 -5.658 -4.094 7.440 1.00 0.00 C ATOM 549 CD GLU A 35 -6.683 -2.963 7.549 1.00 0.00 C ATOM 550 OE1 GLU A 35 -7.860 -3.239 7.381 1.00 0.00 O ATOM 551 OE2 GLU A 35 -6.275 -1.842 7.802 1.00 0.00 O ATOM 0 H GLU A 35 -5.342 -7.613 7.473 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.836 -6.370 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.674 -4.345 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.411 -4.148 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.919 -4.903 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.672 -3.735 7.734 1.00 0.00 H new ATOM 558 N PHE A 36 -4.194 -7.127 4.452 1.00 0.00 N ATOM 559 CA PHE A 36 -3.817 -7.678 3.120 1.00 0.00 C ATOM 560 C PHE A 36 -2.797 -8.807 3.269 1.00 0.00 C ATOM 561 O PHE A 36 -1.692 -8.706 2.774 1.00 0.00 O ATOM 562 CB PHE A 36 -3.218 -6.572 2.252 1.00 0.00 C ATOM 563 CG PHE A 36 -4.326 -5.773 1.603 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.462 -6.421 1.095 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.224 -4.379 1.516 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.487 -5.675 0.506 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.252 -3.635 0.930 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.384 -4.282 0.426 1.00 0.00 C ATOM 0 H PHE A 36 -3.454 -7.121 5.154 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.716 -8.074 2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.594 -5.918 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.574 -7.006 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.545 -7.496 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.349 -3.878 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.360 -6.175 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.172 -2.560 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.179 -3.707 -0.025 1.00 0.00 H new ATOM 578 N PRO A 37 -3.205 -9.863 3.922 1.00 0.00 N ATOM 579 CA PRO A 37 -2.348 -11.046 4.117 1.00 0.00 C ATOM 580 C PRO A 37 -2.266 -11.803 2.801 1.00 0.00 C ATOM 581 O PRO A 37 -1.220 -11.939 2.200 1.00 0.00 O ATOM 582 CB PRO A 37 -3.112 -11.903 5.121 1.00 0.00 C ATOM 583 CG PRO A 37 -4.578 -11.431 5.049 1.00 0.00 C ATOM 584 CD PRO A 37 -4.549 -9.981 4.523 1.00 0.00 C ATOM 0 HA PRO A 37 -1.341 -10.794 4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.030 -12.961 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.710 -11.778 6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.159 -12.072 4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.049 -11.478 6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.335 -9.804 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.695 -9.259 5.326 1.00 0.00 H new ATOM 592 N SER A 38 -3.389 -12.308 2.365 1.00 0.00 N ATOM 593 CA SER A 38 -3.431 -13.069 1.113 1.00 0.00 C ATOM 594 C SER A 38 -2.778 -12.244 0.005 1.00 0.00 C ATOM 595 O SER A 38 -2.130 -12.768 -0.878 1.00 0.00 O ATOM 596 CB SER A 38 -4.883 -13.371 0.742 1.00 0.00 C ATOM 597 OG SER A 38 -5.582 -12.151 0.541 1.00 0.00 O ATOM 0 H SER A 38 -4.286 -12.216 2.841 1.00 0.00 H new ATOM 0 HA SER A 38 -2.893 -14.009 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.920 -13.978 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.359 -13.950 1.533 1.00 0.00 H new ATOM 0 HG SER A 38 -6.513 -12.343 0.301 1.00 0.00 H new ATOM 603 N LEU A 39 -2.943 -10.946 0.053 1.00 0.00 N ATOM 604 CA LEU A 39 -2.331 -10.080 -0.989 1.00 0.00 C ATOM 605 C LEU A 39 -0.808 -10.185 -0.879 1.00 0.00 C ATOM 606 O LEU A 39 -0.147 -10.687 -1.765 1.00 0.00 O ATOM 607 CB LEU A 39 -2.787 -8.631 -0.769 1.00 0.00 C ATOM 608 CG LEU A 39 -1.824 -7.664 -1.457 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.646 -8.061 -2.923 1.00 0.00 C ATOM 610 CD2 LEU A 39 -2.385 -6.241 -1.376 1.00 0.00 C ATOM 0 H LEU A 39 -3.475 -10.453 0.770 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.642 -10.398 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.794 -8.495 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.831 -8.414 0.298 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.857 -7.704 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.958 -7.367 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.242 -9.072 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.611 -8.027 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.699 -5.551 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.354 -6.203 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.502 -5.955 -0.331 1.00 0.00 H new ATOM 622 N LEU A 40 -0.249 -9.735 0.211 1.00 0.00 N ATOM 623 CA LEU A 40 1.227 -9.833 0.382 1.00 0.00 C ATOM 624 C LEU A 40 1.540 -11.107 1.172 1.00 0.00 C ATOM 625 O LEU A 40 2.358 -11.110 2.073 1.00 0.00 O ATOM 626 CB LEU A 40 1.741 -8.607 1.148 1.00 0.00 C ATOM 627 CG LEU A 40 1.550 -7.342 0.300 1.00 0.00 C ATOM 628 CD1 LEU A 40 0.253 -6.644 0.712 1.00 0.00 C ATOM 629 CD2 LEU A 40 2.723 -6.383 0.531 1.00 0.00 C ATOM 0 H LEU A 40 -0.750 -9.305 0.989 1.00 0.00 H new ATOM 0 HA LEU A 40 1.716 -9.869 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.205 -8.507 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.796 -8.736 1.392 1.00 0.00 H new ATOM 0 HG LEU A 40 1.505 -7.621 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.116 -5.745 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.589 -7.318 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.306 -6.370 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.584 -5.486 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.766 -6.108 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.654 -6.872 0.245 1.00 0.00 H new ATOM 641 N LYS A 41 0.882 -12.190 0.845 1.00 0.00 N ATOM 642 CA LYS A 41 1.120 -13.467 1.577 1.00 0.00 C ATOM 643 C LYS A 41 2.233 -14.259 0.880 1.00 0.00 C ATOM 644 O LYS A 41 2.449 -15.424 1.149 1.00 0.00 O ATOM 645 CB LYS A 41 -0.214 -14.256 1.639 1.00 0.00 C ATOM 646 CG LYS A 41 -0.098 -15.674 1.049 1.00 0.00 C ATOM 647 CD LYS A 41 0.387 -16.640 2.133 1.00 0.00 C ATOM 648 CE LYS A 41 -0.761 -16.919 3.106 1.00 0.00 C ATOM 649 NZ LYS A 41 -0.924 -18.390 3.280 1.00 0.00 N ATOM 0 H LYS A 41 0.188 -12.243 0.099 1.00 0.00 H new ATOM 0 HA LYS A 41 1.451 -13.277 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.542 -14.325 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.982 -13.704 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.064 -15.999 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.597 -15.674 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.731 -17.570 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.236 -16.212 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.557 -16.449 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.686 -16.483 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.704 -18.577 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.137 -18.827 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.044 -18.794 3.660 1.00 0.00 H new ATOM 663 N GLY A 42 2.949 -13.624 0.000 1.00 0.00 N ATOM 664 CA GLY A 42 4.058 -14.329 -0.707 1.00 0.00 C ATOM 665 C GLY A 42 3.888 -14.192 -2.223 1.00 0.00 C ATOM 666 O GLY A 42 3.190 -14.963 -2.847 1.00 0.00 O ATOM 0 H GLY A 42 2.817 -12.647 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.017 -13.911 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.066 -15.383 -0.428 1.00 0.00 H new ATOM 670 N MET A 43 4.530 -13.221 -2.817 1.00 0.00 N ATOM 671 CA MET A 43 4.419 -13.033 -4.293 1.00 0.00 C ATOM 672 C MET A 43 5.126 -11.732 -4.685 1.00 0.00 C ATOM 673 O MET A 43 6.228 -11.742 -5.198 1.00 0.00 O ATOM 674 CB MET A 43 2.943 -12.958 -4.695 1.00 0.00 C ATOM 675 CG MET A 43 2.487 -14.322 -5.220 1.00 0.00 C ATOM 676 SD MET A 43 1.517 -14.097 -6.732 1.00 0.00 S ATOM 677 CE MET A 43 0.569 -15.634 -6.618 1.00 0.00 C ATOM 0 H MET A 43 5.129 -12.547 -2.341 1.00 0.00 H new ATOM 0 HA MET A 43 4.885 -13.874 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.336 -12.665 -3.838 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.802 -12.196 -5.461 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.352 -14.953 -5.422 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.889 -14.832 -4.465 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.110 -15.707 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.252 -16.484 -6.625 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.007 -15.639 -5.692 1.00 0.00 H new ATOM 687 N SER A 44 4.503 -10.612 -4.437 1.00 0.00 N ATOM 688 CA SER A 44 5.135 -9.306 -4.780 1.00 0.00 C ATOM 689 C SER A 44 4.838 -8.307 -3.661 1.00 0.00 C ATOM 690 O SER A 44 3.901 -7.538 -3.734 1.00 0.00 O ATOM 691 CB SER A 44 4.558 -8.786 -6.097 1.00 0.00 C ATOM 692 OG SER A 44 3.335 -9.454 -6.373 1.00 0.00 O ATOM 0 H SER A 44 3.579 -10.545 -4.010 1.00 0.00 H new ATOM 0 HA SER A 44 6.212 -9.433 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.392 -7.711 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.267 -8.952 -6.908 1.00 0.00 H new ATOM 0 HG SER A 44 2.963 -9.120 -7.216 1.00 0.00 H new ATOM 698 N THR A 45 5.609 -8.337 -2.611 1.00 0.00 N ATOM 699 CA THR A 45 5.351 -7.421 -1.470 1.00 0.00 C ATOM 700 C THR A 45 6.632 -6.713 -1.039 1.00 0.00 C ATOM 701 O THR A 45 7.677 -6.887 -1.633 1.00 0.00 O ATOM 702 CB THR A 45 4.808 -8.254 -0.322 1.00 0.00 C ATOM 703 OG1 THR A 45 5.061 -7.617 0.920 1.00 0.00 O ATOM 704 CG2 THR A 45 5.455 -9.642 -0.325 1.00 0.00 C ATOM 0 H THR A 45 6.409 -8.959 -2.495 1.00 0.00 H new ATOM 0 HA THR A 45 4.634 -6.655 -1.766 1.00 0.00 H new ATOM 0 HB THR A 45 3.731 -8.356 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.485 -8.253 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.058 -10.230 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.234 -10.145 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.534 -9.540 -0.213 1.00 0.00 H new ATOM 712 N LEU A 46 6.568 -5.916 0.002 1.00 0.00 N ATOM 713 CA LEU A 46 7.795 -5.212 0.455 1.00 0.00 C ATOM 714 C LEU A 46 8.340 -4.305 -0.661 1.00 0.00 C ATOM 715 O LEU A 46 7.992 -3.146 -0.757 1.00 0.00 O ATOM 716 CB LEU A 46 8.862 -6.246 0.828 1.00 0.00 C ATOM 717 CG LEU A 46 8.413 -7.025 2.065 1.00 0.00 C ATOM 718 CD1 LEU A 46 8.603 -8.523 1.818 1.00 0.00 C ATOM 719 CD2 LEU A 46 9.257 -6.600 3.271 1.00 0.00 C ATOM 0 H LEU A 46 5.727 -5.728 0.547 1.00 0.00 H new ATOM 0 HA LEU A 46 7.548 -4.597 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.027 -6.930 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.812 -5.748 1.024 1.00 0.00 H new ATOM 0 HG LEU A 46 7.362 -6.816 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.284 -9.080 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.006 -8.829 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.655 -8.729 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.937 -7.155 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.308 -6.810 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.127 -5.532 3.448 1.00 0.00 H new ATOM 731 N ASP A 47 9.206 -4.824 -1.494 1.00 0.00 N ATOM 732 CA ASP A 47 9.797 -4.007 -2.596 1.00 0.00 C ATOM 733 C ASP A 47 8.908 -4.032 -3.829 1.00 0.00 C ATOM 734 O ASP A 47 9.172 -3.373 -4.807 1.00 0.00 O ATOM 735 CB ASP A 47 11.165 -4.578 -2.956 1.00 0.00 C ATOM 736 CG ASP A 47 12.266 -3.720 -2.334 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.440 -2.598 -2.781 1.00 0.00 O ATOM 738 OD2 ASP A 47 12.920 -4.197 -1.421 1.00 0.00 O ATOM 0 H ASP A 47 9.532 -5.790 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 47 9.889 -2.976 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.246 -5.604 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.283 -4.608 -4.039 1.00 0.00 H new ATOM 743 N GLU A 48 7.890 -4.824 -3.794 1.00 0.00 N ATOM 744 CA GLU A 48 6.988 -4.983 -4.921 1.00 0.00 C ATOM 745 C GLU A 48 5.805 -4.057 -4.749 1.00 0.00 C ATOM 746 O GLU A 48 5.330 -3.474 -5.688 1.00 0.00 O ATOM 747 CB GLU A 48 6.551 -6.429 -4.905 1.00 0.00 C ATOM 748 CG GLU A 48 7.153 -7.150 -6.108 1.00 0.00 C ATOM 749 CD GLU A 48 6.333 -6.836 -7.360 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.525 -5.925 -7.300 1.00 0.00 O ATOM 751 OE2 GLU A 48 6.529 -7.511 -8.356 1.00 0.00 O ATOM 0 H GLU A 48 7.645 -5.391 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 48 7.463 -4.735 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.873 -6.908 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.463 -6.493 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.187 -6.838 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.166 -8.225 -5.930 1.00 0.00 H new ATOM 758 N LEU A 49 5.343 -3.894 -3.551 1.00 0.00 N ATOM 759 CA LEU A 49 4.217 -2.962 -3.323 1.00 0.00 C ATOM 760 C LEU A 49 4.750 -1.557 -3.589 1.00 0.00 C ATOM 761 O LEU A 49 4.044 -0.685 -4.057 1.00 0.00 O ATOM 762 CB LEU A 49 3.718 -3.077 -1.879 1.00 0.00 C ATOM 763 CG LEU A 49 4.834 -2.685 -0.912 1.00 0.00 C ATOM 764 CD1 LEU A 49 4.918 -1.160 -0.825 1.00 0.00 C ATOM 765 CD2 LEU A 49 4.526 -3.258 0.474 1.00 0.00 C ATOM 0 H LEU A 49 5.696 -4.366 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 49 3.378 -3.193 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.853 -2.431 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.392 -4.097 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 49 5.784 -3.082 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.714 -0.878 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.131 -0.750 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.969 -0.763 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.320 -2.980 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.577 -2.858 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.461 -4.344 0.412 1.00 0.00 H new ATOM 777 N PHE A 50 6.013 -1.341 -3.313 1.00 0.00 N ATOM 778 CA PHE A 50 6.618 -0.015 -3.578 1.00 0.00 C ATOM 779 C PHE A 50 7.053 0.031 -5.038 1.00 0.00 C ATOM 780 O PHE A 50 6.622 0.872 -5.800 1.00 0.00 O ATOM 781 CB PHE A 50 7.818 0.178 -2.653 1.00 0.00 C ATOM 782 CG PHE A 50 7.920 1.629 -2.234 1.00 0.00 C ATOM 783 CD1 PHE A 50 6.875 2.238 -1.525 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.069 2.366 -2.552 1.00 0.00 C ATOM 785 CE1 PHE A 50 6.981 3.580 -1.135 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.173 3.706 -2.163 1.00 0.00 C ATOM 787 CZ PHE A 50 8.130 4.312 -1.455 1.00 0.00 C ATOM 0 H PHE A 50 6.647 -2.034 -2.914 1.00 0.00 H new ATOM 0 HA PHE A 50 5.901 0.784 -3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.715 -0.457 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.732 -0.128 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.988 1.673 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.875 1.899 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.177 4.049 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.059 4.273 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.211 5.346 -1.155 1.00 0.00 H new ATOM 797 N GLU A 51 7.882 -0.890 -5.441 1.00 0.00 N ATOM 798 CA GLU A 51 8.313 -0.911 -6.866 1.00 0.00 C ATOM 799 C GLU A 51 7.066 -1.130 -7.718 1.00 0.00 C ATOM 800 O GLU A 51 7.058 -0.879 -8.907 1.00 0.00 O ATOM 801 CB GLU A 51 9.320 -2.046 -7.105 1.00 0.00 C ATOM 802 CG GLU A 51 8.584 -3.381 -7.257 1.00 0.00 C ATOM 803 CD GLU A 51 8.493 -3.751 -8.739 1.00 0.00 C ATOM 804 OE1 GLU A 51 9.533 -3.948 -9.346 1.00 0.00 O ATOM 805 OE2 GLU A 51 7.385 -3.832 -9.243 1.00 0.00 O ATOM 0 H GLU A 51 8.277 -1.623 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 51 8.801 0.028 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.905 -1.841 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.021 -2.101 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.110 -4.162 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.585 -3.308 -6.828 1.00 0.00 H new ATOM 812 N GLU A 52 6.011 -1.599 -7.099 1.00 0.00 N ATOM 813 CA GLU A 52 4.740 -1.843 -7.843 1.00 0.00 C ATOM 814 C GLU A 52 4.533 -0.711 -8.841 1.00 0.00 C ATOM 815 O GLU A 52 4.250 -0.944 -10.000 1.00 0.00 O ATOM 816 CB GLU A 52 3.561 -1.886 -6.868 1.00 0.00 C ATOM 817 CG GLU A 52 3.052 -3.324 -6.732 1.00 0.00 C ATOM 818 CD GLU A 52 1.851 -3.531 -7.656 1.00 0.00 C ATOM 819 OE1 GLU A 52 1.344 -2.543 -8.164 1.00 0.00 O ATOM 820 OE2 GLU A 52 1.461 -4.671 -7.842 1.00 0.00 O ATOM 0 H GLU A 52 5.977 -1.824 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 52 4.800 -2.798 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.869 -1.506 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.759 -1.239 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.845 -4.027 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.768 -3.524 -5.699 1.00 0.00 H new ATOM 827 N LEU A 53 4.701 0.519 -8.425 1.00 0.00 N ATOM 828 CA LEU A 53 4.549 1.619 -9.362 1.00 0.00 C ATOM 829 C LEU A 53 5.946 2.154 -9.615 1.00 0.00 C ATOM 830 O LEU A 53 6.273 2.605 -10.695 1.00 0.00 O ATOM 831 CB LEU A 53 3.674 2.668 -8.711 1.00 0.00 C ATOM 832 CG LEU A 53 2.234 2.171 -8.689 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.361 3.175 -7.938 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.730 2.019 -10.123 1.00 0.00 C ATOM 0 H LEU A 53 4.937 0.787 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 53 4.086 1.320 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.018 2.868 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.740 3.607 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 53 2.186 1.206 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.330 2.820 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.725 3.280 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.404 4.142 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.700 1.663 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.775 2.984 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.355 1.301 -10.654 1.00 0.00 H new ATOM 846 N ASP A 54 6.796 2.063 -8.616 1.00 0.00 N ATOM 847 CA ASP A 54 8.191 2.509 -8.777 1.00 0.00 C ATOM 848 C ASP A 54 8.235 3.859 -9.462 1.00 0.00 C ATOM 849 O ASP A 54 9.243 4.293 -9.984 1.00 0.00 O ATOM 850 CB ASP A 54 8.803 1.471 -9.643 1.00 0.00 C ATOM 851 CG ASP A 54 10.162 1.925 -10.179 1.00 0.00 C ATOM 852 OD1 ASP A 54 11.154 1.668 -9.518 1.00 0.00 O ATOM 853 OD2 ASP A 54 10.188 2.521 -11.243 1.00 0.00 O ATOM 0 H ASP A 54 6.566 1.693 -7.693 1.00 0.00 H new ATOM 0 HA ASP A 54 8.710 2.623 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.923 0.547 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.136 1.250 -10.477 1.00 0.00 H new ATOM 858 N LYS A 55 7.142 4.516 -9.445 1.00 0.00 N ATOM 859 CA LYS A 55 7.041 5.840 -10.062 1.00 0.00 C ATOM 860 C LYS A 55 8.117 6.748 -9.460 1.00 0.00 C ATOM 861 O LYS A 55 8.981 6.291 -8.738 1.00 0.00 O ATOM 862 CB LYS A 55 5.662 6.348 -9.712 1.00 0.00 C ATOM 863 CG LYS A 55 5.573 6.508 -8.197 1.00 0.00 C ATOM 864 CD LYS A 55 4.688 5.424 -7.598 1.00 0.00 C ATOM 865 CE LYS A 55 5.032 5.258 -6.118 1.00 0.00 C ATOM 866 NZ LYS A 55 3.801 5.444 -5.305 1.00 0.00 N ATOM 0 H LYS A 55 6.280 4.182 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 55 7.187 5.814 -11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.474 7.302 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.901 5.651 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.570 6.454 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.171 7.491 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.637 5.691 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.837 4.482 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.454 4.269 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.789 5.985 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.049 5.880 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.138 6.062 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.354 4.520 -5.136 1.00 0.00 H new ATOM 880 N ASN A 56 8.074 8.031 -9.712 1.00 0.00 N ATOM 881 CA ASN A 56 9.111 8.913 -9.090 1.00 0.00 C ATOM 882 C ASN A 56 8.696 9.287 -7.677 1.00 0.00 C ATOM 883 O ASN A 56 9.405 9.974 -6.969 1.00 0.00 O ATOM 884 CB ASN A 56 9.419 10.162 -9.920 1.00 0.00 C ATOM 885 CG ASN A 56 10.768 9.929 -10.591 1.00 0.00 C ATOM 886 OD1 ASN A 56 10.937 10.164 -11.771 1.00 0.00 O ATOM 887 ND2 ASN A 56 11.748 9.461 -9.855 1.00 0.00 N ATOM 0 H ASN A 56 7.387 8.498 -10.304 1.00 0.00 H new ATOM 0 HA ASN A 56 10.038 8.340 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.642 10.331 -10.665 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.451 11.048 -9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.663 9.291 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.595 9.267 -8.865 1.00 0.00 H new ATOM 894 N GLY A 57 7.581 8.782 -7.240 1.00 0.00 N ATOM 895 CA GLY A 57 7.148 9.028 -5.845 1.00 0.00 C ATOM 896 C GLY A 57 7.773 7.904 -5.027 1.00 0.00 C ATOM 897 O GLY A 57 7.100 7.136 -4.369 1.00 0.00 O ATOM 0 H GLY A 57 6.948 8.206 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.485 10.004 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.061 9.017 -5.763 1.00 0.00 H new ATOM 901 N ASP A 58 9.072 7.790 -5.111 1.00 0.00 N ATOM 902 CA ASP A 58 9.796 6.701 -4.396 1.00 0.00 C ATOM 903 C ASP A 58 9.935 7.054 -2.915 1.00 0.00 C ATOM 904 O ASP A 58 10.589 6.360 -2.162 1.00 0.00 O ATOM 905 CB ASP A 58 11.192 6.482 -5.032 1.00 0.00 C ATOM 906 CG ASP A 58 11.972 5.467 -4.195 1.00 0.00 C ATOM 907 OD1 ASP A 58 11.504 4.347 -4.072 1.00 0.00 O ATOM 908 OD2 ASP A 58 13.023 5.826 -3.693 1.00 0.00 O ATOM 0 H ASP A 58 9.669 8.415 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 58 9.226 5.776 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.086 6.123 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.735 7.426 -5.080 1.00 0.00 H new ATOM 913 N GLY A 59 9.301 8.111 -2.480 1.00 0.00 N ATOM 914 CA GLY A 59 9.373 8.479 -1.046 1.00 0.00 C ATOM 915 C GLY A 59 8.031 8.148 -0.390 1.00 0.00 C ATOM 916 O GLY A 59 7.934 8.022 0.815 1.00 0.00 O ATOM 0 H GLY A 59 8.738 8.732 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.179 7.933 -0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.595 9.541 -0.938 1.00 0.00 H new ATOM 920 N GLU A 60 6.991 8.005 -1.176 1.00 0.00 N ATOM 921 CA GLU A 60 5.657 7.681 -0.584 1.00 0.00 C ATOM 922 C GLU A 60 4.713 7.115 -1.656 1.00 0.00 C ATOM 923 O GLU A 60 5.030 7.084 -2.829 1.00 0.00 O ATOM 924 CB GLU A 60 5.032 8.945 0.023 1.00 0.00 C ATOM 925 CG GLU A 60 5.695 10.200 -0.558 1.00 0.00 C ATOM 926 CD GLU A 60 6.886 10.598 0.315 1.00 0.00 C ATOM 927 OE1 GLU A 60 6.730 10.615 1.526 1.00 0.00 O ATOM 928 OE2 GLU A 60 7.936 10.877 -0.241 1.00 0.00 O ATOM 0 H GLU A 60 7.008 8.098 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 60 5.801 6.932 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.962 8.963 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.149 8.932 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.026 10.010 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.975 11.017 -0.604 1.00 0.00 H new ATOM 935 N VAL A 61 3.544 6.682 -1.247 1.00 0.00 N ATOM 936 CA VAL A 61 2.543 6.125 -2.209 1.00 0.00 C ATOM 937 C VAL A 61 1.144 6.465 -1.700 1.00 0.00 C ATOM 938 O VAL A 61 0.635 5.856 -0.782 1.00 0.00 O ATOM 939 CB VAL A 61 2.689 4.613 -2.303 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.791 4.071 -3.419 1.00 0.00 C ATOM 941 CG2 VAL A 61 4.140 4.274 -2.621 1.00 0.00 C ATOM 0 H VAL A 61 3.238 6.692 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 61 2.706 6.555 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 61 2.397 4.161 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.901 2.988 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.752 4.319 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.081 4.520 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.254 3.192 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.421 4.730 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.785 4.657 -1.830 1.00 0.00 H new ATOM 951 N SER A 62 0.535 7.438 -2.291 1.00 0.00 N ATOM 952 CA SER A 62 -0.832 7.863 -1.854 1.00 0.00 C ATOM 953 C SER A 62 -1.811 6.719 -2.013 1.00 0.00 C ATOM 954 O SER A 62 -1.432 5.574 -2.071 1.00 0.00 O ATOM 955 CB SER A 62 -1.286 9.056 -2.700 1.00 0.00 C ATOM 956 OG SER A 62 -2.177 8.605 -3.714 1.00 0.00 O ATOM 0 H SER A 62 0.921 7.972 -3.070 1.00 0.00 H new ATOM 0 HA SER A 62 -0.799 8.151 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.779 9.796 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.423 9.546 -3.151 1.00 0.00 H new ATOM 0 HG SER A 62 -2.470 9.368 -4.255 1.00 0.00 H new ATOM 962 N PHE A 63 -3.071 7.032 -2.092 1.00 0.00 N ATOM 963 CA PHE A 63 -4.096 5.979 -2.258 1.00 0.00 C ATOM 964 C PHE A 63 -4.045 5.492 -3.697 1.00 0.00 C ATOM 965 O PHE A 63 -3.510 4.459 -3.963 1.00 0.00 O ATOM 966 CB PHE A 63 -5.472 6.562 -1.977 1.00 0.00 C ATOM 967 CG PHE A 63 -6.416 5.424 -2.108 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.265 4.327 -1.266 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.375 5.421 -3.109 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.081 3.217 -1.410 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.189 4.307 -3.276 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.051 3.197 -2.431 1.00 0.00 C ATOM 0 H PHE A 63 -3.435 7.984 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.907 5.156 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.518 6.998 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.714 7.356 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.508 4.341 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.489 6.279 -3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.974 2.373 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.931 4.296 -4.060 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.684 2.332 -2.562 1.00 0.00 H new ATOM 982 N GLU A 64 -4.561 6.240 -4.622 1.00 0.00 N ATOM 983 CA GLU A 64 -4.543 5.793 -6.063 1.00 0.00 C ATOM 984 C GLU A 64 -3.230 5.070 -6.391 1.00 0.00 C ATOM 985 O GLU A 64 -3.239 4.011 -6.986 1.00 0.00 O ATOM 986 CB GLU A 64 -4.698 7.013 -6.972 1.00 0.00 C ATOM 987 CG GLU A 64 -6.066 7.657 -6.732 1.00 0.00 C ATOM 988 CD GLU A 64 -6.502 8.420 -7.983 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.899 7.774 -8.939 1.00 0.00 O ATOM 990 OE2 GLU A 64 -6.432 9.638 -7.966 1.00 0.00 O ATOM 0 H GLU A 64 -4.999 7.146 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.369 5.100 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.905 7.733 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.602 6.716 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.801 6.891 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.015 8.335 -5.880 1.00 0.00 H new ATOM 997 N GLU A 65 -2.106 5.598 -6.002 1.00 0.00 N ATOM 998 CA GLU A 65 -0.836 4.881 -6.299 1.00 0.00 C ATOM 999 C GLU A 65 -0.858 3.544 -5.549 1.00 0.00 C ATOM 1000 O GLU A 65 -0.566 2.498 -6.093 1.00 0.00 O ATOM 1001 CB GLU A 65 0.348 5.724 -5.828 1.00 0.00 C ATOM 1002 CG GLU A 65 0.345 7.069 -6.559 1.00 0.00 C ATOM 1003 CD GLU A 65 1.085 6.935 -7.892 1.00 0.00 C ATOM 1004 OE1 GLU A 65 0.458 6.527 -8.855 1.00 0.00 O ATOM 1005 OE2 GLU A 65 2.263 7.249 -7.927 1.00 0.00 O ATOM 0 H GLU A 65 -2.010 6.480 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.736 4.708 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.288 5.884 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.282 5.196 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.680 7.397 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.823 7.830 -5.942 1.00 0.00 H new ATOM 1012 N PHE A 66 -1.215 3.591 -4.297 1.00 0.00 N ATOM 1013 CA PHE A 66 -1.288 2.368 -3.452 1.00 0.00 C ATOM 1014 C PHE A 66 -2.387 1.410 -3.916 1.00 0.00 C ATOM 1015 O PHE A 66 -2.192 0.234 -4.030 1.00 0.00 O ATOM 1016 CB PHE A 66 -1.654 2.811 -2.017 1.00 0.00 C ATOM 1017 CG PHE A 66 -2.568 1.766 -1.448 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -2.050 0.617 -0.870 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -3.944 1.891 -1.664 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -2.911 -0.413 -0.521 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -4.799 0.885 -1.302 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.284 -0.274 -0.743 1.00 0.00 C ATOM 0 H PHE A 66 -1.466 4.452 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.327 1.857 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.757 2.912 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.143 3.785 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.988 0.525 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.335 2.788 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.522 -1.319 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.863 0.993 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.952 -1.080 -0.476 1.00 0.00 H new ATOM 1032 N GLN A 67 -3.567 1.908 -4.003 1.00 0.00 N ATOM 1033 CA GLN A 67 -4.747 1.071 -4.247 1.00 0.00 C ATOM 1034 C GLN A 67 -4.682 0.292 -5.550 1.00 0.00 C ATOM 1035 O GLN A 67 -5.566 -0.477 -5.857 1.00 0.00 O ATOM 1036 CB GLN A 67 -5.974 1.970 -4.090 1.00 0.00 C ATOM 1037 CG GLN A 67 -5.878 3.169 -5.032 1.00 0.00 C ATOM 1038 CD GLN A 67 -5.946 2.651 -6.427 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -5.380 3.211 -7.344 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -6.635 1.597 -6.628 1.00 0.00 N ATOM 0 H GLN A 67 -3.771 2.903 -3.911 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.803 0.266 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.879 1.402 -4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.051 2.315 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.691 3.870 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.946 3.710 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.105 1.138 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.717 1.213 -7.569 1.00 0.00 H new ATOM 1049 N VAL A 68 -3.618 0.385 -6.281 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.527 -0.467 -7.478 1.00 0.00 C ATOM 1051 C VAL A 68 -3.344 -1.913 -6.981 1.00 0.00 C ATOM 1052 O VAL A 68 -3.368 -2.855 -7.748 1.00 0.00 O ATOM 1053 CB VAL A 68 -2.352 -0.012 -8.366 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -1.089 -0.830 -8.065 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -2.730 -0.194 -9.838 1.00 0.00 C ATOM 0 H VAL A 68 -2.824 1.001 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.425 -0.396 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.146 1.038 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.274 -0.490 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.810 -0.697 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.285 -1.885 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.901 0.127 -10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.947 -1.245 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.611 0.406 -10.064 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.200 -2.086 -5.680 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.063 -3.453 -5.102 1.00 0.00 C ATOM 1067 C LEU A 69 -4.449 -4.014 -4.997 1.00 0.00 C ATOM 1068 O LEU A 69 -4.732 -5.123 -5.388 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.489 -3.412 -3.687 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.426 -2.366 -3.660 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.101 -1.980 -2.218 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.162 -2.875 -4.356 1.00 0.00 C ATOM 0 H LEU A 69 -3.173 -1.328 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.399 -4.044 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.271 -3.182 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.077 -4.383 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.793 -1.487 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.324 -1.216 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.997 -1.590 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.750 -2.858 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.605 -2.101 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.202 -3.765 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.392 -3.122 -5.393 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.325 -3.218 -4.466 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.731 -3.681 -4.326 1.00 0.00 C ATOM 1086 C VAL A 70 -7.244 -3.973 -5.728 1.00 0.00 C ATOM 1087 O VAL A 70 -8.104 -4.807 -5.935 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.611 -2.633 -3.628 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.425 -2.747 -2.115 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.236 -1.220 -4.070 1.00 0.00 C ATOM 0 H VAL A 70 -5.135 -2.276 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.771 -4.573 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.650 -2.819 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.048 -2.005 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.715 -3.745 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.379 -2.572 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.874 -0.498 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.194 -1.024 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.372 -1.128 -5.148 1.00 0.00 H new ATOM 1100 N LYS A 71 -6.673 -3.321 -6.702 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.066 -3.588 -8.106 1.00 0.00 C ATOM 1102 C LYS A 71 -6.331 -4.851 -8.545 1.00 0.00 C ATOM 1103 O LYS A 71 -6.841 -5.650 -9.307 1.00 0.00 O ATOM 1104 CB LYS A 71 -6.656 -2.413 -8.998 1.00 0.00 C ATOM 1105 CG LYS A 71 -6.869 -2.784 -10.468 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.205 -2.215 -10.950 1.00 0.00 C ATOM 1107 CE LYS A 71 -8.188 -0.691 -10.829 1.00 0.00 C ATOM 1108 NZ LYS A 71 -8.463 -0.083 -12.163 1.00 0.00 N ATOM 0 H LYS A 71 -5.949 -2.613 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.145 -3.715 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.244 -1.530 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.610 -2.159 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.054 -2.390 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.860 -3.868 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.383 -2.506 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.022 -2.628 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.937 -0.364 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.220 -0.356 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.452 0.954 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.733 -0.385 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.397 -0.393 -12.500 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.133 -5.044 -8.051 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.362 -6.262 -8.419 1.00 0.00 C ATOM 1124 C LYS A 72 -4.564 -7.325 -7.333 1.00 0.00 C ATOM 1125 O LYS A 72 -3.876 -8.325 -7.288 1.00 0.00 O ATOM 1126 CB LYS A 72 -2.877 -5.907 -8.530 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.141 -7.000 -9.308 1.00 0.00 C ATOM 1128 CD LYS A 72 -2.237 -6.715 -10.808 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.922 -7.099 -11.491 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.914 -8.564 -11.765 1.00 0.00 N ATOM 0 H LYS A 72 -4.659 -4.408 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.709 -6.649 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.759 -4.947 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.444 -5.801 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.096 -7.038 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.575 -7.975 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.062 -7.279 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.450 -5.659 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.807 -6.543 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.078 -6.833 -10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.021 -8.826 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.004 -9.085 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.711 -8.805 -12.388 1.00 0.00 H new ATOM 1144 N ILE A 73 -5.511 -7.111 -6.453 1.00 0.00 N ATOM 1145 CA ILE A 73 -5.775 -8.091 -5.369 1.00 0.00 C ATOM 1146 C ILE A 73 -6.913 -9.020 -5.811 1.00 0.00 C ATOM 1147 O ILE A 73 -7.469 -9.773 -5.037 1.00 0.00 O ATOM 1148 CB ILE A 73 -6.154 -7.325 -4.083 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.880 -6.895 -3.343 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -6.988 -8.210 -3.152 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.197 -5.726 -2.400 1.00 0.00 C ATOM 0 H ILE A 73 -6.115 -6.289 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.889 -8.693 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.739 -6.450 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.478 -7.734 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.114 -6.599 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.244 -7.651 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.902 -8.515 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.412 -9.094 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.290 -5.424 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.579 -4.885 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.948 -6.038 -1.674 1.00 0.00 H new ATOM 1163 N SER A 74 -7.250 -8.979 -7.065 1.00 0.00 N ATOM 1164 CA SER A 74 -8.337 -9.851 -7.575 1.00 0.00 C ATOM 1165 C SER A 74 -7.745 -11.198 -7.994 1.00 0.00 C ATOM 1166 O SER A 74 -6.575 -11.303 -8.305 1.00 0.00 O ATOM 1167 CB SER A 74 -9.002 -9.186 -8.780 1.00 0.00 C ATOM 1168 OG SER A 74 -8.000 -8.610 -9.609 1.00 0.00 O ATOM 0 H SER A 74 -6.816 -8.375 -7.763 1.00 0.00 H new ATOM 0 HA SER A 74 -9.081 -10.006 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.579 -9.920 -9.343 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.701 -8.419 -8.447 1.00 0.00 H new ATOM 0 HG SER A 74 -7.842 -7.683 -9.335 1.00 0.00 H new ATOM 1174 N GLN A 75 -8.543 -12.226 -8.008 1.00 0.00 N ATOM 1175 CA GLN A 75 -8.030 -13.565 -8.410 1.00 0.00 C ATOM 1176 C GLN A 75 -9.160 -14.360 -9.066 1.00 0.00 C ATOM 1177 O GLN A 75 -9.411 -15.498 -8.724 1.00 0.00 O ATOM 1178 CB GLN A 75 -7.529 -14.314 -7.172 1.00 0.00 C ATOM 1179 CG GLN A 75 -6.220 -13.685 -6.690 1.00 0.00 C ATOM 1180 CD GLN A 75 -5.233 -14.792 -6.308 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -5.454 -15.516 -5.358 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -4.144 -14.957 -7.012 1.00 0.00 N ATOM 1183 OXT GLN A 75 -9.845 -13.768 -10.005 1.00 0.00 O ATOM 0 H GLN A 75 -9.531 -12.198 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.208 -13.446 -9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.278 -14.272 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.374 -15.367 -7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.795 -13.058 -7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.408 -13.039 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.956 -14.350 -7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.482 -15.692 -6.763 1.00 0.00 H new TER 1192 GLN A 75