USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 670 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -2.82! (180deg=-2.82!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 9 LYS NZ :NH3+ -148:sc= 0.297 (180deg=0.0366) USER MOD Single : A 11 MET CE :methyl -160:sc= -1.49 (180deg=-2.75!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.18 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0144 (180deg=-0.384) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -1.51 F(o=-2.4!,f=-1.5) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.116 USER MOD Single : A 37 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.235 (180deg=-1.14!) USER MOD Single : A 52 ASN :FLIP amide:sc= -6.53! C(o=-7.2!,f=-6.5!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -52:sc= 0.392 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= -1.43 USER MOD Single : A 79 ASN :FLIP amide:sc= -1.08 F(o=-3.2!,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 173:sc= 0 (180deg=-0.0405) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.480 15.305 8.774 1.00 0.00 N ATOM 2 CA MET A 1 9.860 16.717 8.516 1.00 0.00 C ATOM 3 C MET A 1 8.654 17.600 8.207 1.00 0.00 C ATOM 4 O MET A 1 8.365 18.543 8.943 1.00 0.00 O ATOM 5 CB MET A 1 10.831 16.738 7.336 1.00 0.00 C ATOM 6 CG MET A 1 11.931 17.776 7.471 1.00 0.00 C ATOM 7 SD MET A 1 12.094 18.814 6.006 1.00 0.00 S ATOM 8 CE MET A 1 13.264 17.860 5.041 1.00 0.00 C ATOM 0 H1 MET A 1 10.334 14.748 8.979 1.00 0.00 H new ATOM 0 H2 MET A 1 8.835 15.262 9.589 1.00 0.00 H new ATOM 0 H3 MET A 1 9.004 14.915 7.935 1.00 0.00 H new ATOM 0 HA MET A 1 10.322 17.121 9.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.284 15.752 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.272 16.930 6.420 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.726 18.406 8.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.879 17.272 7.661 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.466 18.375 4.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.192 17.749 5.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.846 16.875 4.832 1.00 0.00 H new ATOM 20 N GLY A 2 7.979 17.314 7.103 1.00 0.00 N ATOM 21 CA GLY A 2 6.818 18.097 6.716 1.00 0.00 C ATOM 22 C GLY A 2 5.933 17.342 5.746 1.00 0.00 C ATOM 23 O GLY A 2 4.901 17.847 5.302 1.00 0.00 O ATOM 0 H GLY A 2 8.213 16.553 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.243 18.360 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.145 19.031 6.259 1.00 0.00 H new ATOM 27 N ASP A 3 6.388 16.155 5.369 1.00 0.00 N ATOM 28 CA ASP A 3 5.654 15.297 4.452 1.00 0.00 C ATOM 29 C ASP A 3 4.797 14.285 5.201 1.00 0.00 C ATOM 30 O ASP A 3 5.208 13.754 6.232 1.00 0.00 O ATOM 31 CB ASP A 3 6.628 14.569 3.527 1.00 0.00 C ATOM 32 CG ASP A 3 7.583 13.668 4.284 1.00 0.00 C ATOM 33 OD1 ASP A 3 7.180 12.540 4.638 1.00 0.00 O ATOM 34 OD2 ASP A 3 8.734 14.090 4.523 1.00 0.00 O ATOM 0 H ASP A 3 7.273 15.762 5.689 1.00 0.00 H new ATOM 0 HA ASP A 3 4.991 15.928 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.065 13.974 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.199 15.302 2.957 1.00 0.00 H new ATOM 39 N VAL A 4 3.618 14.008 4.666 1.00 0.00 N ATOM 40 CA VAL A 4 2.729 13.014 5.254 1.00 0.00 C ATOM 41 C VAL A 4 2.868 11.680 4.524 1.00 0.00 C ATOM 42 O VAL A 4 2.342 11.511 3.424 1.00 0.00 O ATOM 43 CB VAL A 4 1.257 13.466 5.210 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.462 12.798 6.318 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.157 14.982 5.311 1.00 0.00 C ATOM 0 H VAL A 4 3.253 14.457 3.826 1.00 0.00 H new ATOM 0 HA VAL A 4 3.021 12.897 6.298 1.00 0.00 H new ATOM 0 HB VAL A 4 0.832 13.162 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.576 13.129 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.504 11.716 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.886 13.069 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.109 15.281 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.600 15.314 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.691 15.438 4.477 1.00 0.00 H new ATOM 55 N VAL A 5 3.578 10.735 5.137 1.00 0.00 N ATOM 56 CA VAL A 5 3.810 9.436 4.510 1.00 0.00 C ATOM 57 C VAL A 5 2.937 8.345 5.128 1.00 0.00 C ATOM 58 O VAL A 5 3.099 7.993 6.293 1.00 0.00 O ATOM 59 CB VAL A 5 5.295 9.020 4.621 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.466 7.522 4.394 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.144 9.810 3.636 1.00 0.00 C ATOM 0 H VAL A 5 3.999 10.843 6.060 1.00 0.00 H new ATOM 0 HA VAL A 5 3.543 9.545 3.459 1.00 0.00 H new ATOM 0 HB VAL A 5 5.633 9.246 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.521 7.259 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.894 6.973 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.106 7.261 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.186 9.505 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.797 9.617 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.057 10.875 3.853 1.00 0.00 H new ATOM 71 N ALA A 6 2.028 7.797 4.327 1.00 0.00 N ATOM 72 CA ALA A 6 1.173 6.704 4.775 1.00 0.00 C ATOM 73 C ALA A 6 1.757 5.374 4.317 1.00 0.00 C ATOM 74 O ALA A 6 2.639 5.350 3.464 1.00 0.00 O ATOM 75 CB ALA A 6 -0.240 6.880 4.238 1.00 0.00 C ATOM 0 H ALA A 6 1.865 8.092 3.364 1.00 0.00 H new ATOM 0 HA ALA A 6 1.126 6.713 5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.865 6.056 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.652 7.823 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.217 6.888 3.148 1.00 0.00 H new ATOM 81 N THR A 7 1.285 4.268 4.886 1.00 0.00 N ATOM 82 CA THR A 7 1.787 2.957 4.492 1.00 0.00 C ATOM 83 C THR A 7 0.675 1.915 4.426 1.00 0.00 C ATOM 84 O THR A 7 -0.123 1.754 5.363 1.00 0.00 O ATOM 85 CB THR A 7 2.896 2.488 5.428 1.00 0.00 C ATOM 86 OG1 THR A 7 3.831 3.527 5.662 1.00 0.00 O ATOM 87 CG2 THR A 7 3.653 1.293 4.892 1.00 0.00 C ATOM 0 H THR A 7 0.567 4.253 5.610 1.00 0.00 H new ATOM 0 HA THR A 7 2.200 3.066 3.489 1.00 0.00 H new ATOM 0 HB THR A 7 2.397 2.199 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.533 3.206 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.429 1.006 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.965 0.460 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.112 1.551 3.938 1.00 0.00 H new ATOM 95 N ILE A 8 0.668 1.192 3.309 1.00 0.00 N ATOM 96 CA ILE A 8 -0.336 0.177 3.023 1.00 0.00 C ATOM 97 C ILE A 8 0.329 -1.177 2.734 1.00 0.00 C ATOM 98 O ILE A 8 0.958 -1.350 1.692 1.00 0.00 O ATOM 99 CB ILE A 8 -1.171 0.613 1.803 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.474 2.118 1.874 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.448 -0.193 1.712 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.656 2.476 2.754 1.00 0.00 C ATOM 0 H ILE A 8 1.366 1.297 2.572 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.982 0.068 3.894 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.591 0.423 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.590 2.638 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.662 2.487 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.022 0.131 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.204 -1.251 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.039 -0.041 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.800 3.556 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.554 1.988 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.465 2.141 3.774 1.00 0.00 H new ATOM 114 N LYS A 9 0.244 -2.108 3.687 1.00 0.00 N ATOM 115 CA LYS A 9 0.885 -3.423 3.545 1.00 0.00 C ATOM 116 C LYS A 9 -0.087 -4.484 3.038 1.00 0.00 C ATOM 117 O LYS A 9 -0.799 -5.107 3.819 1.00 0.00 O ATOM 118 CB LYS A 9 1.474 -3.878 4.877 1.00 0.00 C ATOM 119 CG LYS A 9 1.649 -2.760 5.897 1.00 0.00 C ATOM 120 CD LYS A 9 3.103 -2.359 6.051 1.00 0.00 C ATOM 121 CE LYS A 9 3.882 -3.377 6.869 1.00 0.00 C ATOM 122 NZ LYS A 9 3.627 -3.230 8.329 1.00 0.00 N ATOM 0 H LYS A 9 -0.260 -1.979 4.564 1.00 0.00 H new ATOM 0 HA LYS A 9 1.680 -3.309 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.829 -4.646 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.443 -4.342 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.064 -1.893 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.257 -3.084 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.559 -2.257 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.163 -1.383 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.608 -4.383 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.948 -3.261 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.481 -3.496 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.382 -2.242 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.840 -3.850 8.608 1.00 0.00 H new ATOM 136 N VAL A 10 -0.093 -4.708 1.733 1.00 0.00 N ATOM 137 CA VAL A 10 -1.024 -5.666 1.127 1.00 0.00 C ATOM 138 C VAL A 10 -0.406 -7.060 1.000 1.00 0.00 C ATOM 139 O VAL A 10 0.750 -7.203 0.604 1.00 0.00 O ATOM 140 CB VAL A 10 -1.525 -5.166 -0.256 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.210 -3.686 -0.435 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.939 -5.978 -1.404 1.00 0.00 C ATOM 0 H VAL A 10 0.530 -4.246 1.071 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.880 -5.742 1.797 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.606 -5.304 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.568 -3.353 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.704 -3.112 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.133 -3.533 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.317 -5.593 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.148 -5.899 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.229 -7.023 -1.295 1.00 0.00 H new ATOM 152 N MET A 11 -1.185 -8.088 1.350 1.00 0.00 N ATOM 153 CA MET A 11 -0.705 -9.465 1.271 1.00 0.00 C ATOM 154 C MET A 11 -1.833 -10.443 0.902 1.00 0.00 C ATOM 155 O MET A 11 -2.826 -10.577 1.627 1.00 0.00 O ATOM 156 CB MET A 11 -0.027 -9.868 2.598 1.00 0.00 C ATOM 157 CG MET A 11 -0.645 -11.067 3.308 1.00 0.00 C ATOM 158 SD MET A 11 0.501 -12.448 3.466 1.00 0.00 S ATOM 159 CE MET A 11 -0.613 -13.756 3.970 1.00 0.00 C ATOM 0 H MET A 11 -2.143 -7.991 1.688 1.00 0.00 H new ATOM 0 HA MET A 11 0.034 -9.519 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.022 -10.086 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.053 -9.013 3.274 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.981 -10.763 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.528 -11.394 2.759 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.044 -14.556 4.443 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.342 -13.361 4.678 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.133 -14.148 3.096 1.00 0.00 H new ATOM 169 N PRO A 12 -1.676 -11.158 -0.231 1.00 0.00 N ATOM 170 CA PRO A 12 -2.646 -12.157 -0.698 1.00 0.00 C ATOM 171 C PRO A 12 -2.670 -13.390 0.200 1.00 0.00 C ATOM 172 O PRO A 12 -1.640 -14.028 0.421 1.00 0.00 O ATOM 173 CB PRO A 12 -2.142 -12.530 -2.103 1.00 0.00 C ATOM 174 CG PRO A 12 -1.168 -11.460 -2.458 1.00 0.00 C ATOM 175 CD PRO A 12 -0.547 -11.043 -1.159 1.00 0.00 C ATOM 0 HA PRO A 12 -3.665 -11.769 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.668 -13.512 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.963 -12.571 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.414 -11.829 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.666 -10.620 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.282 -11.692 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.156 -10.027 -1.202 1.00 0.00 H new ATOM 183 N GLU A 13 -3.843 -13.703 0.734 1.00 0.00 N ATOM 184 CA GLU A 13 -4.006 -14.856 1.616 1.00 0.00 C ATOM 185 C GLU A 13 -3.575 -16.145 0.927 1.00 0.00 C ATOM 186 O GLU A 13 -3.133 -17.090 1.581 1.00 0.00 O ATOM 187 CB GLU A 13 -5.461 -14.973 2.074 1.00 0.00 C ATOM 188 CG GLU A 13 -5.664 -14.650 3.545 1.00 0.00 C ATOM 189 CD GLU A 13 -7.039 -15.044 4.047 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.993 -15.029 3.241 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.164 -15.366 5.248 1.00 0.00 O ATOM 0 H GLU A 13 -4.700 -13.174 0.572 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.366 -14.703 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.077 -14.302 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.813 -15.986 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.905 -15.166 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.517 -13.581 3.702 1.00 0.00 H new ATOM 198 N SER A 14 -3.718 -16.185 -0.392 1.00 0.00 N ATOM 199 CA SER A 14 -3.352 -17.365 -1.165 1.00 0.00 C ATOM 200 C SER A 14 -1.842 -17.468 -1.328 1.00 0.00 C ATOM 201 O SER A 14 -1.143 -16.456 -1.361 1.00 0.00 O ATOM 202 CB SER A 14 -4.010 -17.323 -2.544 1.00 0.00 C ATOM 203 OG SER A 14 -3.145 -16.744 -3.505 1.00 0.00 O ATOM 0 H SER A 14 -4.085 -15.413 -0.949 1.00 0.00 H new ATOM 0 HA SER A 14 -3.705 -18.241 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.278 -18.333 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.936 -16.750 -2.491 1.00 0.00 H new ATOM 0 HG SER A 14 -3.589 -16.730 -4.379 1.00 0.00 H new ATOM 209 N PRO A 15 -1.314 -18.699 -1.459 1.00 0.00 N ATOM 210 CA PRO A 15 0.117 -18.916 -1.660 1.00 0.00 C ATOM 211 C PRO A 15 0.574 -18.397 -3.017 1.00 0.00 C ATOM 212 O PRO A 15 1.768 -18.387 -3.323 1.00 0.00 O ATOM 213 CB PRO A 15 0.269 -20.437 -1.584 1.00 0.00 C ATOM 214 CG PRO A 15 -1.071 -20.970 -1.958 1.00 0.00 C ATOM 215 CD PRO A 15 -2.071 -19.967 -1.452 1.00 0.00 C ATOM 0 HA PRO A 15 0.724 -18.388 -0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.041 -20.792 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.557 -20.757 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.154 -21.094 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.240 -21.950 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.949 -19.915 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.423 -20.220 -0.452 1.00 0.00 H new ATOM 223 N ASP A 16 -0.390 -17.976 -3.833 1.00 0.00 N ATOM 224 CA ASP A 16 -0.095 -17.433 -5.152 1.00 0.00 C ATOM 225 C ASP A 16 0.057 -15.918 -5.082 1.00 0.00 C ATOM 226 O ASP A 16 -0.346 -15.199 -5.996 1.00 0.00 O ATOM 227 CB ASP A 16 -1.205 -17.803 -6.140 1.00 0.00 C ATOM 228 CG ASP A 16 -0.660 -18.265 -7.477 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.077 -17.486 -8.119 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.970 -19.404 -7.883 1.00 0.00 O ATOM 0 H ASP A 16 -1.383 -18.002 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 16 0.844 -17.864 -5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.822 -18.592 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.853 -16.940 -6.294 1.00 0.00 H new ATOM 235 N VAL A 17 0.623 -15.442 -3.977 1.00 0.00 N ATOM 236 CA VAL A 17 0.811 -14.011 -3.770 1.00 0.00 C ATOM 237 C VAL A 17 1.853 -13.456 -4.751 1.00 0.00 C ATOM 238 O VAL A 17 3.053 -13.417 -4.474 1.00 0.00 O ATOM 239 CB VAL A 17 1.162 -13.677 -2.287 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.593 -14.920 -1.536 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.207 -12.574 -2.153 1.00 0.00 C ATOM 0 H VAL A 17 0.959 -16.027 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.137 -13.515 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 17 0.247 -13.294 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.832 -14.658 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.784 -15.650 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.474 -15.347 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.407 -12.389 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.128 -12.883 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.834 -11.661 -2.617 1.00 0.00 H new ATOM 251 N ASP A 18 1.382 -13.143 -5.953 1.00 0.00 N ATOM 252 CA ASP A 18 2.233 -12.563 -6.985 1.00 0.00 C ATOM 253 C ASP A 18 2.549 -11.113 -6.642 1.00 0.00 C ATOM 254 O ASP A 18 1.720 -10.230 -6.846 1.00 0.00 O ATOM 255 CB ASP A 18 1.546 -12.645 -8.350 1.00 0.00 C ATOM 256 CG ASP A 18 1.481 -14.064 -8.881 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.521 -14.570 -9.352 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.388 -14.667 -8.829 1.00 0.00 O ATOM 0 H ASP A 18 0.412 -13.282 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 18 3.164 -13.128 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.536 -12.244 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.083 -12.018 -9.062 1.00 0.00 H new ATOM 263 N LEU A 19 3.720 -10.883 -6.062 1.00 0.00 N ATOM 264 CA LEU A 19 4.116 -9.539 -5.649 1.00 0.00 C ATOM 265 C LEU A 19 4.248 -8.600 -6.845 1.00 0.00 C ATOM 266 O LEU A 19 3.753 -7.475 -6.811 1.00 0.00 O ATOM 267 CB LEU A 19 5.427 -9.587 -4.855 1.00 0.00 C ATOM 268 CG LEU A 19 6.707 -9.624 -5.694 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.354 -8.248 -5.730 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.675 -10.660 -5.145 1.00 0.00 C ATOM 0 H LEU A 19 4.412 -11.606 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 19 3.330 -9.145 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.467 -8.716 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.410 -10.467 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 19 6.447 -9.909 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.263 -8.289 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.661 -7.531 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.603 -7.936 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.579 -10.672 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.934 -10.407 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.207 -11.644 -5.170 1.00 0.00 H new ATOM 282 N GLU A 20 4.871 -9.079 -7.920 1.00 0.00 N ATOM 283 CA GLU A 20 5.071 -8.256 -9.107 1.00 0.00 C ATOM 284 C GLU A 20 3.745 -7.994 -9.796 1.00 0.00 C ATOM 285 O GLU A 20 3.505 -6.901 -10.308 1.00 0.00 O ATOM 286 CB GLU A 20 6.045 -8.932 -10.071 1.00 0.00 C ATOM 287 CG GLU A 20 6.009 -8.369 -11.485 1.00 0.00 C ATOM 288 CD GLU A 20 6.908 -7.159 -11.656 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.122 -6.432 -10.662 1.00 0.00 O ATOM 290 OE2 GLU A 20 7.397 -6.938 -12.783 1.00 0.00 O ATOM 0 H GLU A 20 5.243 -10.026 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 20 5.498 -7.302 -8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.057 -8.833 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.821 -9.998 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.313 -9.144 -12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.985 -8.094 -11.736 1.00 0.00 H new ATOM 297 N ALA A 21 2.877 -8.992 -9.792 1.00 0.00 N ATOM 298 CA ALA A 21 1.548 -8.823 -10.360 1.00 0.00 C ATOM 299 C ALA A 21 0.749 -7.871 -9.486 1.00 0.00 C ATOM 300 O ALA A 21 -0.018 -7.041 -9.974 1.00 0.00 O ATOM 301 CB ALA A 21 0.840 -10.160 -10.499 1.00 0.00 C ATOM 0 H ALA A 21 3.064 -9.918 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 21 1.638 -8.400 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.151 -10.004 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.419 -10.812 -11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.743 -10.624 -9.518 1.00 0.00 H new ATOM 307 N LEU A 22 0.951 -8.004 -8.184 1.00 0.00 N ATOM 308 CA LEU A 22 0.313 -7.135 -7.212 1.00 0.00 C ATOM 309 C LEU A 22 0.865 -5.723 -7.328 1.00 0.00 C ATOM 310 O LEU A 22 0.208 -4.756 -6.947 1.00 0.00 O ATOM 311 CB LEU A 22 0.540 -7.675 -5.797 1.00 0.00 C ATOM 312 CG LEU A 22 -0.730 -8.021 -5.016 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.378 -8.460 -3.604 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.688 -6.840 -4.982 1.00 0.00 C ATOM 0 H LEU A 22 1.559 -8.714 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.758 -7.110 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.161 -8.568 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.105 -6.935 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.229 -8.846 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.291 -8.703 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.264 -9.340 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.145 -7.653 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.582 -7.113 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.202 -5.991 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.967 -6.569 -6.000 1.00 0.00 H new ATOM 326 N LYS A 23 2.087 -5.617 -7.843 1.00 0.00 N ATOM 327 CA LYS A 23 2.741 -4.330 -8.009 1.00 0.00 C ATOM 328 C LYS A 23 1.904 -3.426 -8.897 1.00 0.00 C ATOM 329 O LYS A 23 1.722 -2.244 -8.606 1.00 0.00 O ATOM 330 CB LYS A 23 4.130 -4.523 -8.628 1.00 0.00 C ATOM 331 CG LYS A 23 5.278 -4.189 -7.690 1.00 0.00 C ATOM 332 CD LYS A 23 6.019 -5.433 -7.241 1.00 0.00 C ATOM 333 CE LYS A 23 7.495 -5.144 -7.019 1.00 0.00 C ATOM 334 NZ LYS A 23 7.708 -3.876 -6.269 1.00 0.00 N ATOM 0 H LYS A 23 2.644 -6.414 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 23 2.847 -3.864 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.230 -5.558 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.209 -3.900 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.972 -3.514 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.893 -3.661 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.577 -5.810 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.908 -6.216 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.948 -5.970 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.002 -5.085 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.639 -3.899 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.669 -3.072 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.965 -3.769 -5.549 1.00 0.00 H new ATOM 348 N LYS A 24 1.414 -3.991 -9.992 1.00 0.00 N ATOM 349 CA LYS A 24 0.587 -3.245 -10.930 1.00 0.00 C ATOM 350 C LYS A 24 -0.761 -2.905 -10.309 1.00 0.00 C ATOM 351 O LYS A 24 -1.299 -1.820 -10.525 1.00 0.00 O ATOM 352 CB LYS A 24 0.386 -4.043 -12.219 1.00 0.00 C ATOM 353 CG LYS A 24 1.534 -4.990 -12.543 1.00 0.00 C ATOM 354 CD LYS A 24 1.046 -6.419 -12.718 1.00 0.00 C ATOM 355 CE LYS A 24 0.258 -6.589 -14.006 1.00 0.00 C ATOM 356 NZ LYS A 24 -0.857 -7.563 -13.851 1.00 0.00 N ATOM 0 H LYS A 24 1.575 -4.964 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 24 1.102 -2.315 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.536 -4.619 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.256 -3.348 -13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.032 -4.661 -13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.274 -4.953 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.899 -7.097 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.421 -6.697 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.143 -5.624 -14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.926 -6.926 -14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.370 -7.650 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.473 -8.491 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.509 -7.230 -13.113 1.00 0.00 H new ATOM 370 N GLU A 25 -1.319 -3.856 -9.568 1.00 0.00 N ATOM 371 CA GLU A 25 -2.599 -3.651 -8.905 1.00 0.00 C ATOM 372 C GLU A 25 -2.461 -2.613 -7.799 1.00 0.00 C ATOM 373 O GLU A 25 -3.413 -1.919 -7.452 1.00 0.00 O ATOM 374 CB GLU A 25 -3.118 -4.973 -8.335 1.00 0.00 C ATOM 375 CG GLU A 25 -3.044 -6.128 -9.323 1.00 0.00 C ATOM 376 CD GLU A 25 -4.361 -6.376 -10.034 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.422 -6.173 -9.405 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.332 -6.770 -11.218 1.00 0.00 O ATOM 0 H GLU A 25 -0.905 -4.775 -9.412 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.317 -3.283 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.541 -5.228 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.152 -4.842 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.271 -5.919 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.745 -7.034 -8.795 1.00 0.00 H new ATOM 385 N ILE A 26 -1.269 -2.540 -7.225 1.00 0.00 N ATOM 386 CA ILE A 26 -0.983 -1.571 -6.182 1.00 0.00 C ATOM 387 C ILE A 26 -1.092 -0.157 -6.739 1.00 0.00 C ATOM 388 O ILE A 26 -1.566 0.757 -6.066 1.00 0.00 O ATOM 389 CB ILE A 26 0.423 -1.794 -5.579 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.334 -2.728 -4.370 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.066 -0.471 -5.183 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.470 -3.724 -4.289 1.00 0.00 C ATOM 0 H ILE A 26 -0.483 -3.143 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.717 -1.704 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 26 1.051 -2.258 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.321 -2.129 -3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.611 -3.270 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.054 -0.658 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.161 0.165 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.444 0.028 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.341 -4.352 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.471 -4.348 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.418 -3.190 -4.218 1.00 0.00 H new ATOM 404 N GLN A 27 -0.633 0.005 -7.973 1.00 0.00 N ATOM 405 CA GLN A 27 -0.663 1.295 -8.643 1.00 0.00 C ATOM 406 C GLN A 27 -2.088 1.806 -8.790 1.00 0.00 C ATOM 407 O GLN A 27 -2.348 3.002 -8.652 1.00 0.00 O ATOM 408 CB GLN A 27 -0.015 1.181 -10.025 1.00 0.00 C ATOM 409 CG GLN A 27 1.457 1.555 -10.046 1.00 0.00 C ATOM 410 CD GLN A 27 2.329 0.567 -9.296 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.321 0.656 -7.971 1.00 0.00 O flip ATOM 412 NE2 GLN A 27 3.009 -0.261 -9.901 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.233 -0.748 -8.532 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.104 2.004 -8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.125 0.158 -10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.553 1.823 -10.722 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.796 1.618 -11.080 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.581 2.546 -9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.985 -0.294 -10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.597 -0.914 -9.383 1.00 0.00 H new ATOM 421 N GLU A 28 -3.000 0.902 -9.126 1.00 0.00 N ATOM 422 CA GLU A 28 -4.398 1.270 -9.325 1.00 0.00 C ATOM 423 C GLU A 28 -5.121 1.455 -7.998 1.00 0.00 C ATOM 424 O GLU A 28 -6.163 2.107 -7.933 1.00 0.00 O ATOM 425 CB GLU A 28 -5.107 0.223 -10.171 1.00 0.00 C ATOM 426 CG GLU A 28 -5.286 -1.103 -9.467 1.00 0.00 C ATOM 427 CD GLU A 28 -6.707 -1.329 -8.989 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.631 -1.272 -9.827 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.894 -1.565 -7.778 1.00 0.00 O ATOM 0 H GLU A 28 -2.799 -0.088 -9.266 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.418 2.224 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.085 0.605 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.540 0.064 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.003 -1.909 -10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.609 -1.150 -8.614 1.00 0.00 H new ATOM 436 N ARG A 29 -4.569 0.869 -6.943 1.00 0.00 N ATOM 437 CA ARG A 29 -5.174 0.961 -5.621 1.00 0.00 C ATOM 438 C ARG A 29 -4.680 2.202 -4.880 1.00 0.00 C ATOM 439 O ARG A 29 -5.231 2.579 -3.845 1.00 0.00 O ATOM 440 CB ARG A 29 -4.881 -0.306 -4.811 1.00 0.00 C ATOM 441 CG ARG A 29 -3.558 -0.275 -4.070 1.00 0.00 C ATOM 442 CD ARG A 29 -3.712 -0.737 -2.630 1.00 0.00 C ATOM 443 NE ARG A 29 -3.314 0.301 -1.683 1.00 0.00 N ATOM 444 CZ ARG A 29 -4.149 1.214 -1.196 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.426 1.210 -1.556 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.710 2.129 -0.345 1.00 0.00 N ATOM 0 H ARG A 29 -3.706 0.327 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.253 1.051 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.685 -0.458 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.889 -1.164 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.838 -0.913 -4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.155 0.737 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.749 -1.018 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.107 -1.629 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.341 0.327 -1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.770 0.505 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.064 1.912 -1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.730 2.134 -0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.352 2.829 0.028 1.00 0.00 H new ATOM 460 N ILE A 30 -3.639 2.833 -5.418 1.00 0.00 N ATOM 461 CA ILE A 30 -3.079 4.041 -4.816 1.00 0.00 C ATOM 462 C ILE A 30 -4.120 5.158 -4.745 1.00 0.00 C ATOM 463 O ILE A 30 -4.862 5.381 -5.702 1.00 0.00 O ATOM 464 CB ILE A 30 -1.851 4.544 -5.603 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.684 3.565 -5.438 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.452 5.948 -5.152 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.064 3.572 -4.055 1.00 0.00 C ATOM 0 H ILE A 30 -3.166 2.528 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.769 3.775 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.114 4.597 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.034 2.557 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.086 3.806 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.584 6.280 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.282 6.634 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.205 5.933 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.754 2.853 -4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.318 4.568 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.818 3.300 -3.317 1.00 0.00 H new ATOM 479 N PRO A 31 -4.168 5.898 -3.620 1.00 0.00 N ATOM 480 CA PRO A 31 -5.099 7.013 -3.444 1.00 0.00 C ATOM 481 C PRO A 31 -5.051 7.990 -4.615 1.00 0.00 C ATOM 482 O PRO A 31 -4.029 8.632 -4.858 1.00 0.00 O ATOM 483 CB PRO A 31 -4.620 7.697 -2.154 1.00 0.00 C ATOM 484 CG PRO A 31 -3.295 7.088 -1.836 1.00 0.00 C ATOM 485 CD PRO A 31 -3.320 5.714 -2.433 1.00 0.00 C ATOM 0 HA PRO A 31 -6.133 6.672 -3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.531 8.774 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.328 7.538 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.482 7.681 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.134 7.043 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.321 5.368 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.739 4.980 -1.745 1.00 0.00 H new ATOM 493 N GLU A 32 -6.158 8.077 -5.348 1.00 0.00 N ATOM 494 CA GLU A 32 -6.257 8.960 -6.508 1.00 0.00 C ATOM 495 C GLU A 32 -6.022 10.428 -6.147 1.00 0.00 C ATOM 496 O GLU A 32 -6.114 11.304 -7.007 1.00 0.00 O ATOM 497 CB GLU A 32 -7.631 8.806 -7.165 1.00 0.00 C ATOM 498 CG GLU A 32 -7.612 7.961 -8.428 1.00 0.00 C ATOM 499 CD GLU A 32 -6.907 6.633 -8.233 1.00 0.00 C ATOM 500 OE1 GLU A 32 -7.421 5.794 -7.464 1.00 0.00 O ATOM 501 OE2 GLU A 32 -5.840 6.432 -8.852 1.00 0.00 O ATOM 0 H GLU A 32 -7.005 7.542 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.473 8.665 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.319 8.357 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.022 9.795 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.636 7.780 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.117 8.517 -9.225 1.00 0.00 H new ATOM 508 N GLY A 33 -5.718 10.696 -4.880 1.00 0.00 N ATOM 509 CA GLY A 33 -5.499 12.065 -4.449 1.00 0.00 C ATOM 510 C GLY A 33 -4.094 12.556 -4.743 1.00 0.00 C ATOM 511 O GLY A 33 -3.913 13.665 -5.244 1.00 0.00 O ATOM 0 H GLY A 33 -5.620 9.993 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.218 12.717 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.688 12.139 -3.378 1.00 0.00 H new ATOM 515 N THR A 34 -3.096 11.732 -4.432 1.00 0.00 N ATOM 516 CA THR A 34 -1.704 12.104 -4.661 1.00 0.00 C ATOM 517 C THR A 34 -0.950 10.996 -5.403 1.00 0.00 C ATOM 518 O THR A 34 -1.442 10.464 -6.398 1.00 0.00 O ATOM 519 CB THR A 34 -1.019 12.415 -3.329 1.00 0.00 C ATOM 520 OG1 THR A 34 -1.957 12.911 -2.389 1.00 0.00 O ATOM 521 CG2 THR A 34 0.095 13.432 -3.451 1.00 0.00 C ATOM 0 H THR A 34 -3.225 10.807 -4.023 1.00 0.00 H new ATOM 0 HA THR A 34 -1.688 12.996 -5.287 1.00 0.00 H new ATOM 0 HB THR A 34 -0.588 11.471 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.507 13.523 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.538 13.606 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.858 13.056 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.308 14.368 -3.839 1.00 0.00 H new ATOM 529 N GLU A 35 0.245 10.659 -4.919 1.00 0.00 N ATOM 530 CA GLU A 35 1.061 9.625 -5.545 1.00 0.00 C ATOM 531 C GLU A 35 1.678 8.709 -4.496 1.00 0.00 C ATOM 532 O GLU A 35 1.617 8.988 -3.298 1.00 0.00 O ATOM 533 CB GLU A 35 2.163 10.260 -6.396 1.00 0.00 C ATOM 534 CG GLU A 35 2.994 11.290 -5.647 1.00 0.00 C ATOM 535 CD GLU A 35 4.090 11.892 -6.506 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.861 12.072 -7.721 1.00 0.00 O ATOM 537 OE2 GLU A 35 5.176 12.184 -5.963 1.00 0.00 O ATOM 0 H GLU A 35 0.667 11.088 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 35 0.414 9.027 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.822 9.475 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.710 10.734 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.342 12.085 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.441 10.822 -4.770 1.00 0.00 H new ATOM 544 N LEU A 36 2.270 7.616 -4.959 1.00 0.00 N ATOM 545 CA LEU A 36 2.889 6.643 -4.065 1.00 0.00 C ATOM 546 C LEU A 36 4.225 7.157 -3.533 1.00 0.00 C ATOM 547 O LEU A 36 4.598 8.306 -3.768 1.00 0.00 O ATOM 548 CB LEU A 36 3.091 5.307 -4.787 1.00 0.00 C ATOM 549 CG LEU A 36 3.387 5.414 -6.285 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.415 4.372 -6.700 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.108 5.257 -7.093 1.00 0.00 C ATOM 0 H LEU A 36 2.335 7.380 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 36 2.219 6.492 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.912 4.774 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.195 4.700 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 36 3.800 6.402 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.614 4.462 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.339 4.531 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.030 3.375 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.337 5.336 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.666 4.282 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.403 6.041 -6.815 1.00 0.00 H new ATOM 563 N HIS A 37 4.933 6.297 -2.804 1.00 0.00 N ATOM 564 CA HIS A 37 6.220 6.655 -2.216 1.00 0.00 C ATOM 565 C HIS A 37 7.271 5.602 -2.527 1.00 0.00 C ATOM 566 O HIS A 37 8.128 5.789 -3.389 1.00 0.00 O ATOM 567 CB HIS A 37 6.078 6.787 -0.700 1.00 0.00 C ATOM 568 CG HIS A 37 7.352 7.145 0.002 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.868 8.417 -0.046 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.167 6.364 0.756 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.978 8.385 0.670 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.199 7.163 1.173 1.00 0.00 N ATOM 0 H HIS A 37 4.634 5.342 -2.606 1.00 0.00 H new ATOM 0 HA HIS A 37 6.536 7.606 -2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.328 7.547 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.705 5.845 -0.297 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.029 5.317 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.625 9.235 0.829 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.987 6.881 1.756 1.00 0.00 H new ATOM 580 N LYS A 38 7.177 4.489 -1.817 1.00 0.00 N ATOM 581 CA LYS A 38 8.119 3.394 -1.967 1.00 0.00 C ATOM 582 C LYS A 38 7.556 2.132 -1.316 1.00 0.00 C ATOM 583 O LYS A 38 7.131 2.156 -0.160 1.00 0.00 O ATOM 584 CB LYS A 38 9.468 3.790 -1.347 1.00 0.00 C ATOM 585 CG LYS A 38 10.076 2.752 -0.417 1.00 0.00 C ATOM 586 CD LYS A 38 10.762 1.641 -1.194 1.00 0.00 C ATOM 587 CE LYS A 38 11.884 1.007 -0.387 1.00 0.00 C ATOM 588 NZ LYS A 38 12.899 2.010 0.035 1.00 0.00 N ATOM 0 H LYS A 38 6.448 4.321 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 38 8.277 3.184 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.175 3.994 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.338 4.720 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.796 3.233 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.296 2.327 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.031 0.879 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.163 2.041 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.467 0.520 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.366 0.231 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.833 1.556 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.933 2.783 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.642 2.393 0.967 1.00 0.00 H new ATOM 602 N ILE A 39 7.511 1.045 -2.079 1.00 0.00 N ATOM 603 CA ILE A 39 6.936 -0.204 -1.594 1.00 0.00 C ATOM 604 C ILE A 39 7.986 -1.095 -0.934 1.00 0.00 C ATOM 605 O ILE A 39 9.185 -0.932 -1.156 1.00 0.00 O ATOM 606 CB ILE A 39 6.247 -0.977 -2.728 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.473 -0.003 -3.625 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.323 -2.036 -2.146 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.487 -0.670 -4.560 1.00 0.00 C ATOM 0 H ILE A 39 7.865 1.004 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 39 6.193 0.066 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 39 7.000 -1.479 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.936 0.706 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.185 0.573 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.838 -2.580 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.903 -2.731 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.565 -1.557 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.982 0.089 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.018 -1.357 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.750 -1.222 -3.977 1.00 0.00 H new ATOM 621 N ASP A 40 7.520 -2.031 -0.110 1.00 0.00 N ATOM 622 CA ASP A 40 8.411 -2.926 0.619 1.00 0.00 C ATOM 623 C ASP A 40 8.047 -4.389 0.406 1.00 0.00 C ATOM 624 O ASP A 40 6.928 -4.806 0.698 1.00 0.00 O ATOM 625 CB ASP A 40 8.342 -2.616 2.110 1.00 0.00 C ATOM 626 CG ASP A 40 9.710 -2.601 2.766 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.462 -1.629 2.548 1.00 0.00 O ATOM 628 OD2 ASP A 40 10.029 -3.563 3.497 1.00 0.00 O ATOM 0 H ASP A 40 6.528 -2.188 0.069 1.00 0.00 H new ATOM 0 HA ASP A 40 9.419 -2.764 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.863 -1.648 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.715 -3.358 2.603 1.00 0.00 H new ATOM 633 N GLU A 41 9.013 -5.179 -0.046 1.00 0.00 N ATOM 634 CA GLU A 41 8.801 -6.609 -0.230 1.00 0.00 C ATOM 635 C GLU A 41 9.056 -7.353 1.079 1.00 0.00 C ATOM 636 O GLU A 41 10.050 -8.066 1.218 1.00 0.00 O ATOM 637 CB GLU A 41 9.714 -7.147 -1.333 1.00 0.00 C ATOM 638 CG GLU A 41 9.767 -6.259 -2.565 1.00 0.00 C ATOM 639 CD GLU A 41 11.184 -5.874 -2.945 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.916 -6.743 -3.462 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.561 -4.704 -2.723 1.00 0.00 O ATOM 0 H GLU A 41 9.948 -4.855 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 41 7.765 -6.771 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.722 -7.262 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.371 -8.140 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.298 -6.776 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.185 -5.355 -2.383 1.00 0.00 H new ATOM 648 N GLU A 42 8.175 -7.140 2.052 1.00 0.00 N ATOM 649 CA GLU A 42 8.302 -7.777 3.360 1.00 0.00 C ATOM 650 C GLU A 42 7.431 -9.024 3.436 1.00 0.00 C ATOM 651 O GLU A 42 6.294 -9.013 2.979 1.00 0.00 O ATOM 652 CB GLU A 42 7.909 -6.797 4.467 1.00 0.00 C ATOM 653 CG GLU A 42 9.082 -6.345 5.320 1.00 0.00 C ATOM 654 CD GLU A 42 8.774 -6.385 6.805 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.020 -7.286 7.231 1.00 0.00 O ATOM 656 OE2 GLU A 42 9.289 -5.517 7.540 1.00 0.00 O ATOM 0 H GLU A 42 7.363 -6.530 1.959 1.00 0.00 H new ATOM 0 HA GLU A 42 9.343 -8.070 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.439 -5.923 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.163 -7.266 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.943 -6.981 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.362 -5.330 5.038 1.00 0.00 H new ATOM 663 N PRO A 43 7.953 -10.121 4.013 1.00 0.00 N ATOM 664 CA PRO A 43 7.220 -11.376 4.114 1.00 0.00 C ATOM 665 C PRO A 43 6.330 -11.439 5.344 1.00 0.00 C ATOM 666 O PRO A 43 6.549 -10.729 6.326 1.00 0.00 O ATOM 667 CB PRO A 43 8.332 -12.417 4.191 1.00 0.00 C ATOM 668 CG PRO A 43 9.487 -11.711 4.828 1.00 0.00 C ATOM 669 CD PRO A 43 9.304 -10.229 4.587 1.00 0.00 C ATOM 0 HA PRO A 43 6.536 -11.521 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.024 -13.280 4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.595 -12.787 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.524 -11.924 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.429 -12.055 4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.390 -9.661 5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.059 -9.840 3.904 1.00 0.00 H new ATOM 677 N ILE A 44 5.308 -12.283 5.269 1.00 0.00 N ATOM 678 CA ILE A 44 4.339 -12.417 6.347 1.00 0.00 C ATOM 679 C ILE A 44 4.230 -13.863 6.817 1.00 0.00 C ATOM 680 O ILE A 44 4.838 -14.248 7.816 1.00 0.00 O ATOM 681 CB ILE A 44 2.952 -11.922 5.894 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.105 -10.746 4.919 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.107 -11.527 7.096 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.786 -9.533 5.524 1.00 0.00 C ATOM 0 H ILE A 44 5.129 -12.888 4.467 1.00 0.00 H new ATOM 0 HA ILE A 44 4.689 -11.805 7.178 1.00 0.00 H new ATOM 0 HB ILE A 44 2.440 -12.733 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.677 -11.077 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.119 -10.455 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.131 -11.180 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.978 -12.390 7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.606 -10.728 7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.858 -8.745 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.204 -9.175 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.786 -9.807 5.859 1.00 0.00 H new ATOM 696 N ALA A 45 3.443 -14.655 6.095 1.00 0.00 N ATOM 697 CA ALA A 45 3.255 -16.061 6.433 1.00 0.00 C ATOM 698 C ALA A 45 4.547 -16.849 6.233 1.00 0.00 C ATOM 699 O ALA A 45 5.643 -16.295 6.318 1.00 0.00 O ATOM 700 CB ALA A 45 2.130 -16.654 5.596 1.00 0.00 C ATOM 0 H ALA A 45 2.925 -14.347 5.272 1.00 0.00 H new ATOM 0 HA ALA A 45 2.982 -16.128 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.998 -17.704 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.205 -16.112 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.381 -16.571 4.538 1.00 0.00 H new ATOM 706 N PHE A 46 4.412 -18.142 5.954 1.00 0.00 N ATOM 707 CA PHE A 46 5.570 -18.997 5.738 1.00 0.00 C ATOM 708 C PHE A 46 6.235 -18.677 4.404 1.00 0.00 C ATOM 709 O PHE A 46 7.443 -18.849 4.245 1.00 0.00 O ATOM 710 CB PHE A 46 5.156 -20.469 5.780 1.00 0.00 C ATOM 711 CG PHE A 46 5.233 -21.073 7.152 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.260 -20.800 8.100 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.283 -21.909 7.495 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.331 -21.353 9.364 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.359 -22.465 8.758 1.00 0.00 C ATOM 716 CZ PHE A 46 5.382 -22.186 9.694 1.00 0.00 C ATOM 0 H PHE A 46 3.514 -18.618 5.873 1.00 0.00 H new ATOM 0 HA PHE A 46 6.289 -18.809 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.136 -20.562 5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.795 -21.038 5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.437 -20.148 7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.050 -22.129 6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.565 -21.134 10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.181 -23.117 9.013 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.440 -22.618 10.682 1.00 0.00 H new ATOM 726 N GLY A 47 5.441 -18.189 3.455 1.00 0.00 N ATOM 727 CA GLY A 47 5.973 -17.843 2.149 1.00 0.00 C ATOM 728 C GLY A 47 5.190 -16.739 1.460 1.00 0.00 C ATOM 729 O GLY A 47 5.467 -16.404 0.309 1.00 0.00 O ATOM 0 H GLY A 47 4.440 -18.027 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.012 -17.530 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.972 -18.730 1.516 1.00 0.00 H new ATOM 733 N LEU A 48 4.205 -16.177 2.158 1.00 0.00 N ATOM 734 CA LEU A 48 3.384 -15.109 1.595 1.00 0.00 C ATOM 735 C LEU A 48 3.957 -13.739 1.943 1.00 0.00 C ATOM 736 O LEU A 48 3.820 -13.266 3.070 1.00 0.00 O ATOM 737 CB LEU A 48 1.938 -15.228 2.091 1.00 0.00 C ATOM 738 CG LEU A 48 1.357 -16.650 2.097 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.163 -16.608 2.158 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.815 -17.433 0.876 1.00 0.00 C ATOM 0 H LEU A 48 3.957 -16.443 3.111 1.00 0.00 H new ATOM 0 HA LEU A 48 3.390 -15.212 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.885 -14.828 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.305 -14.598 1.466 1.00 0.00 H new ATOM 0 HG LEU A 48 1.728 -17.159 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.555 -17.625 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.477 -16.095 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.547 -16.074 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.389 -18.436 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.482 -16.924 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.903 -17.501 0.874 1.00 0.00 H new ATOM 752 N VAL A 49 4.594 -13.106 0.961 1.00 0.00 N ATOM 753 CA VAL A 49 5.220 -11.805 1.163 1.00 0.00 C ATOM 754 C VAL A 49 4.281 -10.660 0.797 1.00 0.00 C ATOM 755 O VAL A 49 3.698 -10.639 -0.287 1.00 0.00 O ATOM 756 CB VAL A 49 6.515 -11.676 0.335 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.092 -10.268 0.434 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.538 -12.709 0.785 1.00 0.00 C ATOM 0 H VAL A 49 4.690 -13.476 0.015 1.00 0.00 H new ATOM 0 HA VAL A 49 5.458 -11.738 2.225 1.00 0.00 H new ATOM 0 HB VAL A 49 6.269 -11.863 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.004 -10.206 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.364 -9.549 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.320 -10.041 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.446 -12.605 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.773 -12.553 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.128 -13.710 0.649 1.00 0.00 H new ATOM 768 N ALA A 50 4.180 -9.688 1.698 1.00 0.00 N ATOM 769 CA ALA A 50 3.345 -8.517 1.480 1.00 0.00 C ATOM 770 C ALA A 50 4.164 -7.354 0.939 1.00 0.00 C ATOM 771 O ALA A 50 5.392 -7.357 1.013 1.00 0.00 O ATOM 772 CB ALA A 50 2.666 -8.102 2.774 1.00 0.00 C ATOM 0 H ALA A 50 4.671 -9.691 2.592 1.00 0.00 H new ATOM 0 HA ALA A 50 2.587 -8.782 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.045 -7.224 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.043 -8.920 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.423 -7.864 3.522 1.00 0.00 H new ATOM 778 N LEU A 51 3.470 -6.360 0.403 1.00 0.00 N ATOM 779 CA LEU A 51 4.116 -5.175 -0.136 1.00 0.00 C ATOM 780 C LEU A 51 3.624 -3.930 0.592 1.00 0.00 C ATOM 781 O LEU A 51 2.437 -3.610 0.564 1.00 0.00 O ATOM 782 CB LEU A 51 3.834 -5.058 -1.637 1.00 0.00 C ATOM 783 CG LEU A 51 4.753 -5.888 -2.541 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.596 -7.373 -2.248 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.462 -5.598 -4.005 1.00 0.00 C ATOM 0 H LEU A 51 2.453 -6.353 0.330 1.00 0.00 H new ATOM 0 HA LEU A 51 5.192 -5.263 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.802 -5.358 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.917 -4.010 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 51 5.785 -5.607 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.257 -7.944 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.856 -7.568 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.563 -7.672 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.123 -6.195 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.425 -5.850 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.629 -4.540 -4.206 1.00 0.00 H new ATOM 797 N ASN A 52 4.542 -3.241 1.260 1.00 0.00 N ATOM 798 CA ASN A 52 4.201 -2.039 2.007 1.00 0.00 C ATOM 799 C ASN A 52 4.337 -0.812 1.126 1.00 0.00 C ATOM 800 O ASN A 52 5.408 -0.210 1.029 1.00 0.00 O ATOM 801 CB ASN A 52 5.100 -1.907 3.238 1.00 0.00 C ATOM 802 CG ASN A 52 5.415 -3.249 3.874 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.449 -4.160 3.849 1.00 0.00 O flip ATOM 804 ND2 ASN A 52 6.515 -3.463 4.383 1.00 0.00 N flip ATOM 0 H ASN A 52 5.529 -3.496 1.299 1.00 0.00 H new ATOM 0 HA ASN A 52 3.165 -2.118 2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.031 -1.416 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.613 -1.266 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.229 -2.734 4.380 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.713 -4.369 4.808 1.00 0.00 H new ATOM 811 N VAL A 53 3.234 -0.446 0.495 1.00 0.00 N ATOM 812 CA VAL A 53 3.204 0.685 -0.415 1.00 0.00 C ATOM 813 C VAL A 53 2.926 1.989 0.321 1.00 0.00 C ATOM 814 O VAL A 53 1.776 2.310 0.624 1.00 0.00 O ATOM 815 CB VAL A 53 2.128 0.492 -1.498 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.345 1.463 -2.648 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.117 -0.946 -1.993 1.00 0.00 C ATOM 0 H VAL A 53 2.338 -0.923 0.599 1.00 0.00 H new ATOM 0 HA VAL A 53 4.189 0.740 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 53 1.154 0.704 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.574 1.311 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.291 2.486 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.326 1.289 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.349 -1.062 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.091 -1.193 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.903 -1.616 -1.160 1.00 0.00 H new ATOM 827 N MET A 54 3.977 2.767 0.545 1.00 0.00 N ATOM 828 CA MET A 54 3.847 4.056 1.209 1.00 0.00 C ATOM 829 C MET A 54 3.473 5.132 0.200 1.00 0.00 C ATOM 830 O MET A 54 3.538 4.906 -1.008 1.00 0.00 O ATOM 831 CB MET A 54 5.154 4.432 1.913 1.00 0.00 C ATOM 832 CG MET A 54 5.522 3.501 3.056 1.00 0.00 C ATOM 833 SD MET A 54 7.281 3.538 3.449 1.00 0.00 S ATOM 834 CE MET A 54 7.439 2.054 4.438 1.00 0.00 C ATOM 0 H MET A 54 4.931 2.526 0.276 1.00 0.00 H new ATOM 0 HA MET A 54 3.057 3.980 1.956 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.963 4.433 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.070 5.449 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.951 3.778 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.234 2.482 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.475 1.938 4.758 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.795 2.130 5.314 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.143 1.188 3.845 1.00 0.00 H new ATOM 844 N VAL A 55 3.041 6.287 0.695 1.00 0.00 N ATOM 845 CA VAL A 55 2.623 7.377 -0.180 1.00 0.00 C ATOM 846 C VAL A 55 3.099 8.734 0.341 1.00 0.00 C ATOM 847 O VAL A 55 2.987 9.029 1.531 1.00 0.00 O ATOM 848 CB VAL A 55 1.086 7.399 -0.351 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.555 5.997 -0.603 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.405 8.014 0.863 1.00 0.00 C ATOM 0 H VAL A 55 2.971 6.492 1.692 1.00 0.00 H new ATOM 0 HA VAL A 55 3.086 7.197 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 55 0.856 8.020 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.528 6.034 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.005 5.595 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.807 5.355 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.675 8.015 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.647 7.430 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.754 9.038 0.996 1.00 0.00 H new ATOM 860 N VAL A 56 3.655 9.545 -0.556 1.00 0.00 N ATOM 861 CA VAL A 56 4.119 10.880 -0.189 1.00 0.00 C ATOM 862 C VAL A 56 3.084 11.936 -0.558 1.00 0.00 C ATOM 863 O VAL A 56 2.814 12.167 -1.738 1.00 0.00 O ATOM 864 CB VAL A 56 5.461 11.245 -0.856 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.487 11.621 0.201 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.971 10.108 -1.727 1.00 0.00 C ATOM 0 H VAL A 56 3.795 9.303 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 56 4.267 10.862 0.891 1.00 0.00 H new ATOM 0 HB VAL A 56 5.297 12.106 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.430 11.877 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.126 12.478 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.641 10.778 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.918 10.396 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.119 9.219 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.242 9.893 -2.509 1.00 0.00 H new ATOM 876 N VAL A 57 2.506 12.573 0.454 1.00 0.00 N ATOM 877 CA VAL A 57 1.507 13.612 0.229 1.00 0.00 C ATOM 878 C VAL A 57 1.832 14.866 1.035 1.00 0.00 C ATOM 879 O VAL A 57 2.318 14.783 2.164 1.00 0.00 O ATOM 880 CB VAL A 57 0.088 13.120 0.586 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.204 11.792 -0.096 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.082 12.995 2.092 1.00 0.00 C ATOM 0 H VAL A 57 2.711 12.389 1.436 1.00 0.00 H new ATOM 0 HA VAL A 57 1.532 13.855 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.627 13.859 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.209 11.461 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.134 11.915 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.521 11.047 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.090 12.647 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.644 12.281 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.078 13.967 2.558 1.00 0.00 H new ATOM 892 N GLY A 58 1.577 16.030 0.444 1.00 0.00 N ATOM 893 CA GLY A 58 1.858 17.283 1.121 1.00 0.00 C ATOM 894 C GLY A 58 1.188 18.467 0.455 1.00 0.00 C ATOM 895 O GLY A 58 0.350 19.136 1.062 1.00 0.00 O ATOM 0 H GLY A 58 1.181 16.127 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.523 17.216 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.936 17.446 1.144 1.00 0.00 H new ATOM 899 N ASP A 59 1.555 18.728 -0.795 1.00 0.00 N ATOM 900 CA ASP A 59 0.980 19.840 -1.543 1.00 0.00 C ATOM 901 C ASP A 59 -0.377 19.458 -2.117 1.00 0.00 C ATOM 902 O ASP A 59 -1.129 20.311 -2.588 1.00 0.00 O ATOM 903 CB ASP A 59 1.925 20.271 -2.669 1.00 0.00 C ATOM 904 CG ASP A 59 1.973 19.267 -3.804 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.485 18.149 -3.587 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.499 19.599 -4.911 1.00 0.00 O ATOM 0 H ASP A 59 2.247 18.185 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 59 0.843 20.677 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.605 21.238 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.928 20.406 -2.265 1.00 0.00 H new ATOM 911 N ALA A 60 -0.679 18.167 -2.070 1.00 0.00 N ATOM 912 CA ALA A 60 -1.947 17.654 -2.564 1.00 0.00 C ATOM 913 C ALA A 60 -3.108 18.122 -1.689 1.00 0.00 C ATOM 914 O ALA A 60 -3.093 19.235 -1.163 1.00 0.00 O ATOM 915 CB ALA A 60 -1.896 16.138 -2.626 1.00 0.00 C ATOM 0 H ALA A 60 -0.057 17.453 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.114 18.045 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.848 15.757 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.095 15.828 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.709 15.739 -1.629 1.00 0.00 H new ATOM 921 N GLU A 61 -4.105 17.259 -1.523 1.00 0.00 N ATOM 922 CA GLU A 61 -5.271 17.581 -0.709 1.00 0.00 C ATOM 923 C GLU A 61 -5.813 16.332 -0.026 1.00 0.00 C ATOM 924 O GLU A 61 -5.156 15.291 -0.004 1.00 0.00 O ATOM 925 CB GLU A 61 -6.364 18.219 -1.571 1.00 0.00 C ATOM 926 CG GLU A 61 -6.181 17.992 -3.063 1.00 0.00 C ATOM 927 CD GLU A 61 -7.067 18.893 -3.903 1.00 0.00 C ATOM 928 OE1 GLU A 61 -6.802 20.113 -3.945 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.023 18.378 -4.519 1.00 0.00 O ATOM 0 H GLU A 61 -4.128 16.330 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.963 18.292 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.332 17.819 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.387 19.291 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.138 18.165 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.401 16.951 -3.298 1.00 0.00 H new ATOM 936 N GLY A 62 -7.020 16.438 0.520 1.00 0.00 N ATOM 937 CA GLY A 62 -7.634 15.302 1.176 1.00 0.00 C ATOM 938 C GLY A 62 -8.266 14.355 0.179 1.00 0.00 C ATOM 939 O GLY A 62 -9.064 13.491 0.546 1.00 0.00 O ATOM 0 H GLY A 62 -7.582 17.289 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.883 14.769 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.392 15.652 1.877 1.00 0.00 H new ATOM 943 N GLY A 63 -7.901 14.521 -1.089 1.00 0.00 N ATOM 944 CA GLY A 63 -8.436 13.673 -2.138 1.00 0.00 C ATOM 945 C GLY A 63 -7.905 12.257 -2.069 1.00 0.00 C ATOM 946 O GLY A 63 -8.276 11.409 -2.882 1.00 0.00 O ATOM 0 H GLY A 63 -7.242 15.231 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.523 13.653 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.189 14.103 -3.109 1.00 0.00 H new ATOM 950 N THR A 64 -7.039 11.992 -1.094 1.00 0.00 N ATOM 951 CA THR A 64 -6.475 10.659 -0.923 1.00 0.00 C ATOM 952 C THR A 64 -7.517 9.721 -0.335 1.00 0.00 C ATOM 953 O THR A 64 -7.264 8.531 -0.147 1.00 0.00 O ATOM 954 CB THR A 64 -5.239 10.702 -0.023 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.612 10.637 1.343 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.396 11.943 -0.212 1.00 0.00 C ATOM 0 H THR A 64 -6.715 12.680 -0.414 1.00 0.00 H new ATOM 0 HA THR A 64 -6.173 10.287 -1.902 1.00 0.00 H new ATOM 0 HB THR A 64 -4.644 9.836 -0.313 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.808 10.664 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.537 11.905 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.049 11.993 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.993 12.826 0.013 1.00 0.00 H new ATOM 964 N GLU A 65 -8.693 10.272 -0.049 1.00 0.00 N ATOM 965 CA GLU A 65 -9.802 9.490 0.477 1.00 0.00 C ATOM 966 C GLU A 65 -10.107 8.321 -0.443 1.00 0.00 C ATOM 967 O GLU A 65 -10.650 7.300 -0.021 1.00 0.00 O ATOM 968 CB GLU A 65 -11.042 10.369 0.610 1.00 0.00 C ATOM 969 CG GLU A 65 -11.422 11.086 -0.675 1.00 0.00 C ATOM 970 CD GLU A 65 -12.880 11.502 -0.701 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.744 10.622 -0.900 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.157 12.705 -0.519 1.00 0.00 O ATOM 0 H GLU A 65 -8.901 11.263 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.522 9.107 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.881 9.753 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.870 11.109 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.794 11.969 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.219 10.434 -1.524 1.00 0.00 H new ATOM 979 N ALA A 66 -9.733 8.484 -1.704 1.00 0.00 N ATOM 980 CA ALA A 66 -9.966 7.461 -2.715 1.00 0.00 C ATOM 981 C ALA A 66 -9.335 6.136 -2.309 1.00 0.00 C ATOM 982 O ALA A 66 -9.825 5.070 -2.679 1.00 0.00 O ATOM 983 CB ALA A 66 -9.421 7.912 -4.062 1.00 0.00 C ATOM 0 H ALA A 66 -9.264 9.320 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.042 7.313 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.603 7.137 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.920 8.832 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.349 8.091 -3.979 1.00 0.00 H new ATOM 989 N ALA A 67 -8.277 6.204 -1.507 1.00 0.00 N ATOM 990 CA ALA A 67 -7.597 5.001 -1.042 1.00 0.00 C ATOM 991 C ALA A 67 -8.546 4.140 -0.222 1.00 0.00 C ATOM 992 O ALA A 67 -8.779 2.975 -0.545 1.00 0.00 O ATOM 993 CB ALA A 67 -6.367 5.364 -0.226 1.00 0.00 C ATOM 0 H ALA A 67 -7.873 7.077 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.274 4.429 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.873 4.453 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.679 5.942 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.666 5.957 0.638 1.00 0.00 H new ATOM 999 N GLU A 68 -9.117 4.730 0.823 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.071 4.023 1.667 1.00 0.00 C ATOM 1001 C GLU A 68 -11.256 3.541 0.839 1.00 0.00 C ATOM 1002 O GLU A 68 -11.833 2.489 1.117 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.558 4.932 2.799 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.436 5.473 3.671 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.949 6.196 4.901 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.710 5.581 5.677 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.591 7.378 5.088 1.00 0.00 O ATOM 0 H GLU A 68 -8.936 5.693 1.104 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.571 3.158 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.109 5.769 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.257 4.377 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.792 4.650 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.821 6.155 3.084 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.626 4.330 -0.167 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.723 3.971 -1.056 1.00 0.00 C ATOM 1016 C GLU A 69 -12.407 2.675 -1.789 1.00 0.00 C ATOM 1017 O GLU A 69 -13.209 1.742 -1.804 1.00 0.00 O ATOM 1018 CB GLU A 69 -12.977 5.094 -2.064 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.396 5.639 -2.024 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.745 6.440 -3.263 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.990 5.822 -4.320 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -14.773 7.686 -3.176 1.00 0.00 O ATOM 0 H GLU A 69 -11.181 5.222 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.622 3.825 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.278 5.908 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.767 4.724 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.097 4.811 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.515 6.269 -1.142 1.00 0.00 H new ATOM 1029 N SER A 70 -11.229 2.634 -2.406 1.00 0.00 N ATOM 1030 CA SER A 70 -10.782 1.456 -3.132 1.00 0.00 C ATOM 1031 C SER A 70 -10.625 0.272 -2.186 1.00 0.00 C ATOM 1032 O SER A 70 -10.607 -0.879 -2.616 1.00 0.00 O ATOM 1033 CB SER A 70 -9.457 1.742 -3.841 1.00 0.00 C ATOM 1034 OG SER A 70 -8.356 1.499 -2.985 1.00 0.00 O ATOM 0 H SER A 70 -10.566 3.409 -2.415 1.00 0.00 H new ATOM 0 HA SER A 70 -11.535 1.206 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.375 1.117 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.438 2.779 -4.177 1.00 0.00 H new ATOM 0 HG SER A 70 -8.485 1.980 -2.141 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.521 0.568 -0.894 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.374 -0.466 0.124 1.00 0.00 C ATOM 1042 C LEU A 71 -11.699 -1.183 0.355 1.00 0.00 C ATOM 1043 O LEU A 71 -11.727 -2.361 0.712 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.874 0.151 1.432 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.481 -0.302 1.881 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.456 -1.805 2.117 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.431 0.100 0.857 1.00 0.00 C ATOM 0 H LEU A 71 -10.536 1.519 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.643 -1.195 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.867 1.236 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.587 -0.086 2.222 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.246 0.194 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.458 -2.107 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.178 -2.064 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.714 -2.323 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.449 -0.231 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.661 -0.365 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.430 1.184 0.744 1.00 0.00 H new ATOM 1059 N SER A 72 -12.797 -0.466 0.130 1.00 0.00 N ATOM 1060 CA SER A 72 -14.131 -1.032 0.287 1.00 0.00 C ATOM 1061 C SER A 72 -14.357 -2.156 -0.719 1.00 0.00 C ATOM 1062 O SER A 72 -15.299 -2.941 -0.595 1.00 0.00 O ATOM 1063 CB SER A 72 -15.188 0.058 0.104 1.00 0.00 C ATOM 1064 OG SER A 72 -16.285 -0.141 0.980 1.00 0.00 O ATOM 0 H SER A 72 -12.787 0.511 -0.163 1.00 0.00 H new ATOM 0 HA SER A 72 -14.217 -1.445 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.743 1.035 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.539 0.059 -0.928 1.00 0.00 H new ATOM 0 HG SER A 72 -16.945 0.570 0.844 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.469 -2.233 -1.704 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.553 -3.264 -2.721 1.00 0.00 C ATOM 1072 C GLY A 73 -12.186 -3.615 -3.265 1.00 0.00 C ATOM 1073 O GLY A 73 -12.039 -3.979 -4.431 1.00 0.00 O ATOM 0 H GLY A 73 -12.684 -1.592 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.019 -4.155 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.194 -2.923 -3.534 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.186 -3.487 -2.403 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.801 -3.755 -2.770 1.00 0.00 C ATOM 1079 C ILE A 74 -9.552 -5.255 -2.928 1.00 0.00 C ATOM 1080 O ILE A 74 -10.496 -6.043 -2.997 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.840 -3.158 -1.713 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.493 -2.806 -2.346 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.654 -4.104 -0.534 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.227 -1.318 -2.401 1.00 0.00 C ATOM 0 H ILE A 74 -11.311 -3.196 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.608 -3.279 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.291 -2.242 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.696 -3.290 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.458 -3.212 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.974 -3.654 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.618 -4.288 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.237 -5.047 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.255 -1.139 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.003 -0.831 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.230 -0.910 -1.390 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.279 -5.642 -2.989 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.904 -7.042 -3.144 1.00 0.00 C ATOM 1098 C GLU A 75 -8.612 -7.916 -2.111 1.00 0.00 C ATOM 1099 O GLU A 75 -8.204 -7.980 -0.951 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.388 -7.191 -3.002 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.656 -7.302 -4.329 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.778 -6.045 -5.169 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.219 -5.003 -4.765 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -6.434 -6.101 -6.231 1.00 0.00 O ATOM 0 H GLU A 75 -7.488 -5.000 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.210 -7.372 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.998 -6.334 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.174 -8.077 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.602 -7.509 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.053 -8.149 -4.889 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.682 -8.581 -2.545 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.448 -9.434 -1.653 1.00 0.00 C ATOM 1113 C GLY A 76 -9.622 -10.561 -1.065 1.00 0.00 C ATOM 1114 O GLY A 76 -9.874 -11.004 0.056 1.00 0.00 O ATOM 0 H GLY A 76 -10.032 -8.543 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.859 -8.830 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.293 -9.855 -2.197 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.633 -11.025 -1.821 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.763 -12.102 -1.365 1.00 0.00 C ATOM 1120 C VAL A 77 -6.582 -11.546 -0.581 1.00 0.00 C ATOM 1121 O VAL A 77 -6.159 -12.127 0.417 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.230 -12.937 -2.545 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.606 -14.230 -2.044 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.340 -13.223 -3.545 1.00 0.00 C ATOM 0 H VAL A 77 -8.414 -10.672 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.363 -12.745 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.457 -12.361 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.235 -14.807 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.779 -13.999 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.356 -14.812 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.943 -13.814 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.139 -13.778 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.735 -12.282 -3.929 1.00 0.00 H new ATOM 1134 N SER A 78 -6.077 -10.404 -1.025 1.00 0.00 N ATOM 1135 CA SER A 78 -4.952 -9.757 -0.371 1.00 0.00 C ATOM 1136 C SER A 78 -5.431 -8.695 0.603 1.00 0.00 C ATOM 1137 O SER A 78 -5.626 -7.539 0.225 1.00 0.00 O ATOM 1138 CB SER A 78 -4.022 -9.117 -1.409 1.00 0.00 C ATOM 1139 OG SER A 78 -2.982 -8.388 -0.782 1.00 0.00 O ATOM 0 H SER A 78 -6.432 -9.905 -1.841 1.00 0.00 H new ATOM 0 HA SER A 78 -4.403 -10.520 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.595 -9.892 -2.045 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.596 -8.454 -2.056 1.00 0.00 H new ATOM 0 HG SER A 78 -3.269 -7.461 -0.644 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.608 -9.080 1.863 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.008 -8.121 2.878 1.00 0.00 C ATOM 1147 C ASN A 79 -4.809 -7.292 3.257 1.00 0.00 C ATOM 1148 O ASN A 79 -3.722 -7.815 3.505 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.589 -8.806 4.113 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.373 -8.018 5.410 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.527 -6.682 5.382 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -6.083 -8.613 6.448 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.482 -10.035 2.199 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.793 -7.486 2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.658 -8.959 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.137 -9.792 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.972 -9.627 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.953 -8.092 7.315 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.011 -5.999 3.291 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.937 -5.083 3.544 1.00 0.00 C ATOM 1161 C ILE A 80 -3.929 -4.595 4.984 1.00 0.00 C ATOM 1162 O ILE A 80 -4.979 -4.369 5.585 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.057 -3.876 2.610 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.479 -4.322 1.208 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.752 -3.121 2.561 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.852 -3.175 0.292 1.00 0.00 C ATOM 0 H ILE A 80 -5.919 -5.558 3.145 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.004 -5.617 3.362 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.826 -3.209 3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.664 -4.887 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.329 -5.000 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.852 -2.265 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.495 -2.773 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.965 -3.779 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.140 -3.567 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.687 -2.623 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.997 -2.508 0.177 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.729 -4.395 5.510 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.561 -3.840 6.836 1.00 0.00 C ATOM 1180 C GLU A 81 -2.605 -2.334 6.697 1.00 0.00 C ATOM 1181 O GLU A 81 -1.587 -1.646 6.768 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.234 -4.290 7.455 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.145 -4.041 8.952 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.910 -5.314 9.742 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.053 -6.042 9.423 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.689 -5.581 10.682 1.00 0.00 O ATOM 0 H GLU A 81 -1.855 -4.612 5.031 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.353 -4.189 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.096 -5.354 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.416 -3.768 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.336 -3.339 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.067 -3.571 9.294 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.799 -1.859 6.381 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.033 -0.462 6.092 1.00 0.00 C ATOM 1195 C VAL A 82 -4.183 0.350 7.374 1.00 0.00 C ATOM 1196 O VAL A 82 -5.208 0.988 7.613 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.297 -0.321 5.218 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.532 1.134 4.836 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.183 -1.189 3.977 1.00 0.00 C ATOM 0 H VAL A 82 -4.635 -2.439 6.319 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.171 -0.071 5.551 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.154 -0.660 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.428 1.208 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.662 1.731 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.675 1.506 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.083 -1.078 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.314 -0.881 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.071 -2.232 4.272 1.00 0.00 H new ATOM 1209 N THR A 83 -3.163 0.281 8.221 1.00 0.00 N ATOM 1210 CA THR A 83 -3.175 1.002 9.483 1.00 0.00 C ATOM 1211 C THR A 83 -1.870 1.761 9.719 1.00 0.00 C ATOM 1212 O THR A 83 -1.689 2.367 10.775 1.00 0.00 O ATOM 1213 CB THR A 83 -3.424 0.032 10.639 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.349 -0.971 10.258 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.961 0.706 11.881 1.00 0.00 C ATOM 0 H THR A 83 -2.319 -0.267 8.055 1.00 0.00 H new ATOM 0 HA THR A 83 -3.982 1.733 9.435 1.00 0.00 H new ATOM 0 HB THR A 83 -2.450 -0.397 10.873 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.495 -1.584 11.009 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.115 -0.039 12.662 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.246 1.452 12.228 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.909 1.191 11.650 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.925 1.669 8.781 1.00 0.00 N ATOM 1224 CA ASP A 84 0.355 2.339 8.952 1.00 0.00 C ATOM 1225 C ASP A 84 0.288 3.786 8.481 1.00 0.00 C ATOM 1226 O ASP A 84 -0.259 4.080 7.418 1.00 0.00 O ATOM 1227 CB ASP A 84 1.452 1.580 8.213 1.00 0.00 C ATOM 1228 CG ASP A 84 1.800 0.266 8.884 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.921 -0.308 9.559 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.953 -0.190 8.732 1.00 0.00 O ATOM 0 H ASP A 84 -1.023 1.145 7.911 1.00 0.00 H new ATOM 0 HA ASP A 84 0.594 2.349 10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.130 1.388 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.345 2.203 8.155 1.00 0.00 H new ATOM 1235 N VAL A 85 0.859 4.685 9.277 1.00 0.00 N ATOM 1236 CA VAL A 85 0.849 6.106 8.955 1.00 0.00 C ATOM 1237 C VAL A 85 2.088 6.814 9.501 1.00 0.00 C ATOM 1238 O VAL A 85 2.668 6.394 10.504 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.417 6.786 9.513 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.305 6.994 11.017 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.675 8.104 8.800 1.00 0.00 C ATOM 0 H VAL A 85 1.334 4.454 10.149 1.00 0.00 H new ATOM 0 HA VAL A 85 0.853 6.188 7.868 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.266 6.128 9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.211 7.475 11.386 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.180 6.030 11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.556 7.626 11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.573 8.569 9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.176 8.769 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.814 7.920 7.735 1.00 0.00 H new ATOM 1251 N ARG A 86 2.482 7.891 8.829 1.00 0.00 N ATOM 1252 CA ARG A 86 3.642 8.679 9.233 1.00 0.00 C ATOM 1253 C ARG A 86 3.449 10.137 8.846 1.00 0.00 C ATOM 1254 O ARG A 86 4.012 10.611 7.861 1.00 0.00 O ATOM 1255 CB ARG A 86 4.913 8.140 8.584 1.00 0.00 C ATOM 1256 CG ARG A 86 5.486 6.929 9.291 1.00 0.00 C ATOM 1257 CD ARG A 86 6.980 7.077 9.512 1.00 0.00 C ATOM 1258 NE ARG A 86 7.555 5.913 10.182 1.00 0.00 N ATOM 1259 CZ ARG A 86 8.624 5.969 10.972 1.00 0.00 C ATOM 1260 NH1 ARG A 86 9.231 7.126 11.194 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.085 4.864 11.543 1.00 0.00 N ATOM 0 H ARG A 86 2.010 8.241 7.995 1.00 0.00 H new ATOM 0 HA ARG A 86 3.742 8.605 10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.699 7.878 7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.665 8.929 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.986 6.794 10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.290 6.034 8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.475 7.223 8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.171 7.969 10.109 1.00 0.00 H new ATOM 0 HE ARG A 86 7.112 5.006 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.879 7.978 10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.050 7.164 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.620 3.972 11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.905 4.907 12.149 1.00 0.00 H new ATOM 1275 N ARG A 87 2.611 10.826 9.599 1.00 0.00 N ATOM 1276 CA ARG A 87 2.312 12.227 9.328 1.00 0.00 C ATOM 1277 C ARG A 87 3.391 13.149 9.888 1.00 0.00 C ATOM 1278 O ARG A 87 3.202 13.765 10.937 1.00 0.00 O ATOM 1279 CB ARG A 87 0.951 12.603 9.922 1.00 0.00 C ATOM 1280 CG ARG A 87 -0.047 11.454 9.948 1.00 0.00 C ATOM 1281 CD ARG A 87 -1.253 11.745 9.070 1.00 0.00 C ATOM 1282 NE ARG A 87 -2.475 11.144 9.600 1.00 0.00 N ATOM 1283 CZ ARG A 87 -3.681 11.342 9.075 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -3.828 12.122 8.013 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -4.744 10.760 9.614 1.00 0.00 N ATOM 0 H ARG A 87 2.122 10.440 10.407 1.00 0.00 H new ATOM 0 HA ARG A 87 2.285 12.355 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.097 12.968 10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.528 13.426 9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.440 10.540 9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.375 11.279 10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.387 12.823 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.069 11.366 8.065 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.399 10.539 10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.014 12.573 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.755 12.271 7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.637 10.160 10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.668 10.913 9.211 1.00 0.00 H new ATOM 1299 N LEU A 88 4.521 13.252 9.188 1.00 0.00 N ATOM 1300 CA LEU A 88 5.596 14.137 9.633 1.00 0.00 C ATOM 1301 C LEU A 88 5.327 15.564 9.186 1.00 0.00 C ATOM 1302 O LEU A 88 5.550 15.904 8.022 1.00 0.00 O ATOM 1303 CB LEU A 88 6.969 13.712 9.107 1.00 0.00 C ATOM 1304 CG LEU A 88 7.018 12.447 8.260 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.415 12.277 7.680 1.00 0.00 C ATOM 1306 CD2 LEU A 88 6.619 11.239 9.088 1.00 0.00 C ATOM 0 H LEU A 88 4.714 12.743 8.325 1.00 0.00 H new ATOM 0 HA LEU A 88 5.614 14.072 10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.375 14.533 8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.633 13.575 9.961 1.00 0.00 H new ATOM 0 HG LEU A 88 6.308 12.535 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.450 11.372 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.658 13.139 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.139 12.198 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.659 10.343 8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.306 11.130 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.605 11.375 9.464 1.00 0.00 H new ATOM 1318 N MET A 89 4.868 16.397 10.116 1.00 0.00 N ATOM 1319 CA MET A 89 4.576 17.792 9.814 1.00 0.00 C ATOM 1320 C MET A 89 5.787 18.674 10.088 1.00 0.00 C ATOM 1321 O MET A 89 6.601 18.307 10.963 1.00 0.00 O ATOM 1322 CB MET A 89 3.384 18.279 10.641 1.00 0.00 C ATOM 1323 CG MET A 89 2.249 17.273 10.727 1.00 0.00 C ATOM 1324 SD MET A 89 0.751 17.844 9.903 1.00 0.00 S ATOM 1325 CE MET A 89 1.300 17.901 8.199 1.00 0.00 C ATOM 1326 OXT MET A 89 5.913 19.728 9.429 1.00 0.00 O ATOM 0 H MET A 89 4.691 16.129 11.084 1.00 0.00 H new ATOM 0 HA MET A 89 4.329 17.861 8.755 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.725 18.516 11.649 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.006 19.204 10.207 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.568 16.332 10.280 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.028 17.070 11.775 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.451 18.117 7.550 1.00 0.00 H new ATOM 0 HE2 MET A 89 2.052 18.682 8.085 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.732 16.939 7.924 1.00 0.00 H new TER 1336 MET A 89