USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 60 ASN : amide:sc= -9.53! C(o=-10!,f=-17!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.775 USER MOD Set 2.1: A 36 MET CE :methyl 177:sc= -0.0633 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.214 X(o=-0.28,f=-0.16) USER MOD Set 2.3: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.1! USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 142:sc= 0.0023 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.41 F(o=-2.8,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= 0.821 (180deg=0.382) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 99:sc= 0.791 USER MOD Single : A 38 SER OG : rot -49:sc= 0.303 USER MOD Single : A 42 ASN : amide:sc= -3.45 K(o=-3.4,f=-8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00727 USER MOD Single : A 49 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.83) USER MOD Single : A 53 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.26) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -28.684 -21.226 3.150 1.00 0.00 N ATOM 2 CA MET A 0 -28.357 -19.850 2.814 1.00 0.00 C ATOM 3 C MET A 0 -26.920 -19.737 2.300 1.00 0.00 C ATOM 4 O MET A 0 -26.000 -20.302 2.890 1.00 0.00 O ATOM 5 CB MET A 0 -28.527 -18.968 4.053 1.00 0.00 C ATOM 6 CG MET A 0 -29.995 -18.591 4.260 1.00 0.00 C ATOM 7 SD MET A 0 -30.205 -16.828 4.077 1.00 0.00 S ATOM 8 CE MET A 0 -31.569 -16.797 2.926 1.00 0.00 C ATOM 0 H1 MET A 0 -29.278 -21.243 4.004 1.00 0.00 H new ATOM 0 H2 MET A 0 -29.200 -21.663 2.360 1.00 0.00 H new ATOM 0 H3 MET A 0 -27.808 -21.758 3.327 1.00 0.00 H new ATOM 0 HA MET A 0 -29.032 -19.518 2.025 1.00 0.00 H new ATOM 0 HB2 MET A 0 -28.155 -19.494 4.932 1.00 0.00 H new ATOM 0 HB3 MET A 0 -27.927 -18.064 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 0 -30.619 -19.117 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 0 -30.323 -18.903 5.251 1.00 0.00 H new ATOM 0 HE1 MET A 0 -31.832 -15.763 2.701 1.00 0.00 H new ATOM 0 HE2 MET A 0 -31.281 -17.307 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 0 -32.429 -17.302 3.367 1.00 0.00 H new ATOM 18 N ALA A 1 -26.773 -19.004 1.207 1.00 0.00 N ATOM 19 CA ALA A 1 -25.464 -18.810 0.607 1.00 0.00 C ATOM 20 C ALA A 1 -25.634 -18.265 -0.813 1.00 0.00 C ATOM 21 O ALA A 1 -25.970 -19.011 -1.732 1.00 0.00 O ATOM 22 CB ALA A 1 -24.688 -20.128 0.636 1.00 0.00 C ATOM 0 H ALA A 1 -27.539 -18.537 0.721 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.887 -18.079 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.706 -19.982 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.569 -20.457 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.236 -20.885 0.075 1.00 0.00 H new ATOM 28 N ASP A 2 -25.395 -16.969 -0.948 1.00 0.00 N ATOM 29 CA ASP A 2 -25.517 -16.316 -2.240 1.00 0.00 C ATOM 30 C ASP A 2 -24.779 -14.976 -2.201 1.00 0.00 C ATOM 31 O ASP A 2 -25.149 -14.039 -2.908 1.00 0.00 O ATOM 32 CB ASP A 2 -26.983 -16.038 -2.580 1.00 0.00 C ATOM 33 CG ASP A 2 -27.354 -16.233 -4.052 1.00 0.00 C ATOM 34 OD1 ASP A 2 -27.036 -15.319 -4.842 1.00 0.00 O ATOM 35 OD2 ASP A 2 -27.946 -17.292 -4.352 1.00 0.00 O ATOM 0 H ASP A 2 -25.117 -16.353 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.091 -16.978 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -27.611 -16.690 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -27.218 -15.013 -2.294 1.00 0.00 H new ATOM 40 N GLN A 3 -23.749 -14.928 -1.369 1.00 0.00 N ATOM 41 CA GLN A 3 -22.956 -13.719 -1.230 1.00 0.00 C ATOM 42 C GLN A 3 -21.654 -14.021 -0.484 1.00 0.00 C ATOM 43 O GLN A 3 -21.680 -14.456 0.666 1.00 0.00 O ATOM 44 CB GLN A 3 -23.751 -12.621 -0.521 1.00 0.00 C ATOM 45 CG GLN A 3 -24.087 -13.026 0.915 1.00 0.00 C ATOM 46 CD GLN A 3 -25.388 -12.368 1.380 1.00 0.00 C ATOM 47 OE1 GLN A 3 -26.468 -12.924 1.272 1.00 0.00 O ATOM 48 NE2 GLN A 3 -25.223 -11.156 1.903 1.00 0.00 N ATOM 0 H GLN A 3 -23.446 -15.707 -0.785 1.00 0.00 H new ATOM 0 HA GLN A 3 -22.705 -13.356 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -23.175 -11.696 -0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -24.671 -12.421 -1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -24.181 -14.110 0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -23.272 -12.737 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -24.290 -10.749 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -26.030 -10.633 2.244 1.00 0.00 H new ATOM 57 N LEU A 4 -20.547 -13.779 -1.170 1.00 0.00 N ATOM 58 CA LEU A 4 -19.238 -14.020 -0.588 1.00 0.00 C ATOM 59 C LEU A 4 -19.134 -13.278 0.746 1.00 0.00 C ATOM 60 O LEU A 4 -20.067 -12.587 1.151 1.00 0.00 O ATOM 61 CB LEU A 4 -18.133 -13.655 -1.582 1.00 0.00 C ATOM 62 CG LEU A 4 -18.284 -12.306 -2.286 1.00 0.00 C ATOM 63 CD1 LEU A 4 -16.962 -11.535 -2.284 1.00 0.00 C ATOM 64 CD2 LEU A 4 -18.841 -12.484 -3.700 1.00 0.00 C ATOM 0 H LEU A 4 -20.530 -13.418 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.105 -15.081 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.180 -13.662 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.082 -14.435 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.006 -11.709 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.097 -10.580 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.645 -11.359 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.201 -12.117 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.938 -11.509 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.163 -13.108 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -19.819 -12.962 -3.648 1.00 0.00 H new ATOM 76 N THR A 5 -17.990 -13.448 1.394 1.00 0.00 N ATOM 77 CA THR A 5 -17.752 -12.803 2.674 1.00 0.00 C ATOM 78 C THR A 5 -16.256 -12.559 2.878 1.00 0.00 C ATOM 79 O THR A 5 -15.474 -12.643 1.932 1.00 0.00 O ATOM 80 CB THR A 5 -18.381 -13.671 3.765 1.00 0.00 C ATOM 81 OG1 THR A 5 -17.327 -14.542 4.167 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.454 -14.614 3.217 1.00 0.00 C ATOM 0 H THR A 5 -17.218 -14.023 1.056 1.00 0.00 H new ATOM 0 HA THR A 5 -18.218 -11.818 2.714 1.00 0.00 H new ATOM 0 HB THR A 5 -18.817 -13.030 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.648 -15.139 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.868 -15.207 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.249 -14.030 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.011 -15.278 2.475 1.00 0.00 H new ATOM 90 N GLU A 6 -15.901 -12.263 4.120 1.00 0.00 N ATOM 91 CA GLU A 6 -14.512 -12.007 4.461 1.00 0.00 C ATOM 92 C GLU A 6 -13.600 -13.023 3.770 1.00 0.00 C ATOM 93 O GLU A 6 -12.484 -12.692 3.373 1.00 0.00 O ATOM 94 CB GLU A 6 -14.307 -12.027 5.977 1.00 0.00 C ATOM 95 CG GLU A 6 -15.048 -10.868 6.646 1.00 0.00 C ATOM 96 CD GLU A 6 -14.628 -10.720 8.110 1.00 0.00 C ATOM 97 OE1 GLU A 6 -15.004 -11.612 8.901 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.939 -9.720 8.404 1.00 0.00 O ATOM 0 H GLU A 6 -16.552 -12.195 4.903 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.248 -11.011 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.663 -12.974 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.243 -11.963 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.842 -9.942 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.123 -11.037 6.588 1.00 0.00 H new ATOM 105 N GLU A 7 -14.109 -14.240 3.648 1.00 0.00 N ATOM 106 CA GLU A 7 -13.355 -15.307 3.013 1.00 0.00 C ATOM 107 C GLU A 7 -12.546 -14.757 1.836 1.00 0.00 C ATOM 108 O GLU A 7 -11.396 -15.143 1.635 1.00 0.00 O ATOM 109 CB GLU A 7 -14.279 -16.439 2.561 1.00 0.00 C ATOM 110 CG GLU A 7 -14.676 -17.327 3.742 1.00 0.00 C ATOM 111 CD GLU A 7 -14.219 -18.771 3.520 1.00 0.00 C ATOM 112 OE1 GLU A 7 -14.984 -19.514 2.869 1.00 0.00 O ATOM 113 OE2 GLU A 7 -13.115 -19.098 4.006 1.00 0.00 O ATOM 0 H GLU A 7 -15.035 -14.511 3.978 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.661 -15.720 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.173 -16.021 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.779 -17.040 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.233 -16.938 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.758 -17.300 3.874 1.00 0.00 H new ATOM 120 N GLN A 8 -13.180 -13.865 1.090 1.00 0.00 N ATOM 121 CA GLN A 8 -12.534 -13.258 -0.062 1.00 0.00 C ATOM 122 C GLN A 8 -11.444 -12.285 0.393 1.00 0.00 C ATOM 123 O GLN A 8 -10.319 -12.333 -0.103 1.00 0.00 O ATOM 124 CB GLN A 8 -13.557 -12.555 -0.957 1.00 0.00 C ATOM 125 CG GLN A 8 -13.586 -13.182 -2.352 1.00 0.00 C ATOM 126 CD GLN A 8 -14.729 -14.191 -2.476 1.00 0.00 C ATOM 127 OE1 GLN A 8 -14.902 -14.948 -1.396 1.00 0.00 O flip ATOM 128 NE2 GLN A 8 -15.409 -14.278 -3.486 1.00 0.00 N flip ATOM 0 H GLN A 8 -14.134 -13.548 1.260 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.067 -14.048 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.547 -12.619 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.311 -11.496 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.703 -12.401 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.636 -13.677 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.223 -13.666 -4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.163 -14.963 -3.536 1.00 0.00 H new ATOM 137 N ILE A 9 -11.815 -11.426 1.331 1.00 0.00 N ATOM 138 CA ILE A 9 -10.882 -10.444 1.857 1.00 0.00 C ATOM 139 C ILE A 9 -9.619 -11.157 2.344 1.00 0.00 C ATOM 140 O ILE A 9 -8.506 -10.718 2.058 1.00 0.00 O ATOM 141 CB ILE A 9 -11.556 -9.587 2.930 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.238 -8.104 2.728 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.179 -10.068 4.333 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.327 -7.417 1.902 1.00 0.00 C ATOM 0 H ILE A 9 -12.749 -11.390 1.740 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.576 -9.751 1.073 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.635 -9.701 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.147 -7.613 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.276 -8.000 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.671 -9.442 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.498 -11.102 4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.099 -10.003 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.076 -6.364 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.399 -7.895 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.283 -7.502 2.418 1.00 0.00 H new ATOM 156 N ALA A 10 -9.833 -12.244 3.070 1.00 0.00 N ATOM 157 CA ALA A 10 -8.726 -13.022 3.599 1.00 0.00 C ATOM 158 C ALA A 10 -7.637 -13.142 2.531 1.00 0.00 C ATOM 159 O ALA A 10 -6.449 -13.059 2.838 1.00 0.00 O ATOM 160 CB ALA A 10 -9.236 -14.386 4.066 1.00 0.00 C ATOM 0 H ALA A 10 -10.758 -12.605 3.305 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.287 -12.525 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.405 -14.969 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.986 -14.247 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.681 -14.916 3.224 1.00 0.00 H new ATOM 166 N GLU A 11 -8.081 -13.334 1.297 1.00 0.00 N ATOM 167 CA GLU A 11 -7.159 -13.466 0.182 1.00 0.00 C ATOM 168 C GLU A 11 -6.413 -12.150 -0.049 1.00 0.00 C ATOM 169 O GLU A 11 -5.201 -12.147 -0.253 1.00 0.00 O ATOM 170 CB GLU A 11 -7.892 -13.911 -1.085 1.00 0.00 C ATOM 171 CG GLU A 11 -8.606 -15.246 -0.866 1.00 0.00 C ATOM 172 CD GLU A 11 -9.379 -15.667 -2.117 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.817 -15.487 -3.219 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.515 -16.159 -1.944 1.00 0.00 O ATOM 0 H GLU A 11 -9.067 -13.401 1.045 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.428 -14.236 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.617 -13.151 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.181 -14.005 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.877 -16.014 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.291 -15.162 -0.022 1.00 0.00 H new ATOM 181 N PHE A 12 -7.170 -11.063 -0.009 1.00 0.00 N ATOM 182 CA PHE A 12 -6.596 -9.744 -0.211 1.00 0.00 C ATOM 183 C PHE A 12 -5.555 -9.428 0.865 1.00 0.00 C ATOM 184 O PHE A 12 -4.561 -8.757 0.593 1.00 0.00 O ATOM 185 CB PHE A 12 -7.743 -8.737 -0.106 1.00 0.00 C ATOM 186 CG PHE A 12 -8.625 -8.665 -1.354 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.656 -9.539 -1.510 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.379 -7.728 -2.308 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.474 -9.473 -2.668 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.197 -7.662 -3.467 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.228 -8.536 -3.622 1.00 0.00 C ATOM 0 H PHE A 12 -8.176 -11.069 0.160 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.101 -9.698 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.364 -8.998 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.328 -7.748 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.852 -10.283 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.561 -7.034 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.292 -10.167 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.001 -6.918 -4.225 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.851 -8.486 -4.503 1.00 0.00 H new ATOM 201 N LYS A 13 -5.820 -9.926 2.063 1.00 0.00 N ATOM 202 CA LYS A 13 -4.918 -9.705 3.181 1.00 0.00 C ATOM 203 C LYS A 13 -3.472 -9.804 2.692 1.00 0.00 C ATOM 204 O LYS A 13 -2.722 -8.832 2.761 1.00 0.00 O ATOM 205 CB LYS A 13 -5.246 -10.661 4.330 1.00 0.00 C ATOM 206 CG LYS A 13 -6.619 -10.350 4.928 1.00 0.00 C ATOM 207 CD LYS A 13 -6.773 -10.989 6.310 1.00 0.00 C ATOM 208 CE LYS A 13 -8.097 -10.579 6.958 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.056 -9.157 7.367 1.00 0.00 N ATOM 0 H LYS A 13 -6.646 -10.482 2.285 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.050 -8.701 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.227 -11.689 3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.482 -10.581 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.750 -9.271 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.401 -10.719 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.729 -12.074 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.943 -10.688 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.916 -10.738 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.294 -11.208 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.753 -8.992 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.105 -8.924 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.281 -8.554 6.550 1.00 0.00 H new ATOM 223 N GLU A 14 -3.125 -10.987 2.208 1.00 0.00 N ATOM 224 CA GLU A 14 -1.782 -11.226 1.707 1.00 0.00 C ATOM 225 C GLU A 14 -1.351 -10.087 0.780 1.00 0.00 C ATOM 226 O GLU A 14 -0.194 -9.669 0.802 1.00 0.00 O ATOM 227 CB GLU A 14 -1.694 -12.577 0.994 1.00 0.00 C ATOM 228 CG GLU A 14 -1.884 -13.731 1.980 1.00 0.00 C ATOM 229 CD GLU A 14 -1.044 -14.943 1.573 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.460 -15.626 0.612 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.004 -15.160 2.232 1.00 0.00 O ATOM 0 H GLU A 14 -3.750 -11.791 2.152 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.099 -11.256 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.454 -12.631 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.726 -12.670 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.602 -13.408 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.937 -14.010 2.020 1.00 0.00 H new ATOM 238 N ALA A 15 -2.304 -9.619 -0.012 1.00 0.00 N ATOM 239 CA ALA A 15 -2.038 -8.537 -0.944 1.00 0.00 C ATOM 240 C ALA A 15 -1.534 -7.316 -0.172 1.00 0.00 C ATOM 241 O ALA A 15 -0.462 -6.789 -0.467 1.00 0.00 O ATOM 242 CB ALA A 15 -3.302 -8.235 -1.751 1.00 0.00 C ATOM 0 H ALA A 15 -3.262 -9.969 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.260 -8.824 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.102 -7.423 -2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.602 -9.125 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.104 -7.941 -1.074 1.00 0.00 H new ATOM 248 N PHE A 16 -2.331 -6.902 0.802 1.00 0.00 N ATOM 249 CA PHE A 16 -1.979 -5.753 1.619 1.00 0.00 C ATOM 250 C PHE A 16 -0.613 -5.947 2.279 1.00 0.00 C ATOM 251 O PHE A 16 0.145 -4.991 2.441 1.00 0.00 O ATOM 252 CB PHE A 16 -3.046 -5.635 2.709 1.00 0.00 C ATOM 253 CG PHE A 16 -2.904 -4.391 3.588 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.084 -3.154 3.051 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.597 -4.521 4.906 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.951 -2.000 3.866 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.464 -3.367 5.722 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.644 -2.130 5.185 1.00 0.00 C ATOM 0 H PHE A 16 -3.219 -7.341 1.044 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.929 -4.858 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.030 -5.625 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.003 -6.521 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.328 -3.050 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.454 -5.503 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.094 -1.018 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.220 -3.471 6.769 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.543 -1.252 5.805 1.00 0.00 H new ATOM 268 N SER A 17 -0.339 -7.191 2.643 1.00 0.00 N ATOM 269 CA SER A 17 0.923 -7.524 3.282 1.00 0.00 C ATOM 270 C SER A 17 2.089 -7.163 2.359 1.00 0.00 C ATOM 271 O SER A 17 3.022 -6.476 2.770 1.00 0.00 O ATOM 272 CB SER A 17 0.979 -9.007 3.654 1.00 0.00 C ATOM 273 OG SER A 17 2.315 -9.502 3.674 1.00 0.00 O ATOM 0 H SER A 17 -0.970 -7.981 2.508 1.00 0.00 H new ATOM 0 HA SER A 17 1.003 -6.944 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.524 -9.153 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.390 -9.582 2.940 1.00 0.00 H new ATOM 0 HG SER A 17 2.309 -10.451 3.917 1.00 0.00 H new ATOM 279 N LEU A 18 1.996 -7.644 1.127 1.00 0.00 N ATOM 280 CA LEU A 18 3.031 -7.381 0.142 1.00 0.00 C ATOM 281 C LEU A 18 3.529 -5.943 0.302 1.00 0.00 C ATOM 282 O LEU A 18 4.732 -5.706 0.394 1.00 0.00 O ATOM 283 CB LEU A 18 2.525 -7.704 -1.265 1.00 0.00 C ATOM 284 CG LEU A 18 3.129 -8.944 -1.927 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.213 -10.158 -1.756 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.457 -8.676 -3.398 1.00 0.00 C ATOM 0 H LEU A 18 1.220 -8.214 0.789 1.00 0.00 H new ATOM 0 HA LEU A 18 3.888 -8.035 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.443 -7.831 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.719 -6.844 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 18 4.068 -9.176 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.666 -11.026 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.073 -10.362 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.247 -9.952 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.885 -9.573 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.545 -8.405 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.175 -7.858 -3.468 1.00 0.00 H new ATOM 298 N PHE A 19 2.577 -5.022 0.330 1.00 0.00 N ATOM 299 CA PHE A 19 2.904 -3.613 0.477 1.00 0.00 C ATOM 300 C PHE A 19 3.277 -3.286 1.924 1.00 0.00 C ATOM 301 O PHE A 19 4.234 -2.554 2.172 1.00 0.00 O ATOM 302 CB PHE A 19 1.652 -2.822 0.095 1.00 0.00 C ATOM 303 CG PHE A 19 1.441 -2.681 -1.414 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.409 -2.119 -2.187 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.286 -3.119 -1.983 1.00 0.00 C ATOM 306 CE1 PHE A 19 2.214 -1.989 -3.587 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.091 -2.989 -3.384 1.00 0.00 C ATOM 308 CZ PHE A 19 1.059 -2.427 -4.156 1.00 0.00 C ATOM 0 H PHE A 19 1.580 -5.223 0.254 1.00 0.00 H new ATOM 0 HA PHE A 19 3.755 -3.360 -0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.780 -3.310 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.714 -1.828 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.326 -1.772 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.483 -3.566 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.983 -1.542 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.826 -3.337 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.911 -2.328 -5.221 1.00 0.00 H new ATOM 318 N ASP A 20 2.503 -3.844 2.843 1.00 0.00 N ATOM 319 CA ASP A 20 2.740 -3.620 4.259 1.00 0.00 C ATOM 320 C ASP A 20 3.797 -4.608 4.757 1.00 0.00 C ATOM 321 O ASP A 20 3.463 -5.686 5.244 1.00 0.00 O ATOM 322 CB ASP A 20 1.464 -3.842 5.073 1.00 0.00 C ATOM 323 CG ASP A 20 1.659 -3.847 6.591 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.742 -3.401 7.026 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.719 -4.297 7.282 1.00 0.00 O ATOM 0 H ASP A 20 1.710 -4.451 2.634 1.00 0.00 H new ATOM 0 HA ASP A 20 3.074 -2.590 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.747 -3.062 4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.022 -4.793 4.775 1.00 0.00 H new ATOM 330 N LYS A 21 5.051 -4.204 4.616 1.00 0.00 N ATOM 331 CA LYS A 21 6.159 -5.040 5.046 1.00 0.00 C ATOM 332 C LYS A 21 6.057 -5.280 6.553 1.00 0.00 C ATOM 333 O LYS A 21 5.925 -6.419 6.997 1.00 0.00 O ATOM 334 CB LYS A 21 7.492 -4.429 4.608 1.00 0.00 C ATOM 335 CG LYS A 21 8.361 -5.465 3.891 1.00 0.00 C ATOM 336 CD LYS A 21 9.794 -5.444 4.426 1.00 0.00 C ATOM 337 CE LYS A 21 10.011 -6.558 5.453 1.00 0.00 C ATOM 338 NZ LYS A 21 10.274 -5.984 6.792 1.00 0.00 N ATOM 0 H LYS A 21 5.324 -3.309 4.210 1.00 0.00 H new ATOM 0 HA LYS A 21 6.109 -6.017 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.308 -3.583 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.023 -4.044 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.934 -6.459 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.366 -5.262 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.496 -5.563 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.001 -4.477 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.132 -7.201 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.850 -7.184 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.419 -6.753 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.126 -5.389 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.462 -5.406 7.088 1.00 0.00 H new ATOM 352 N ASP A 22 6.123 -4.187 7.299 1.00 0.00 N ATOM 353 CA ASP A 22 6.040 -4.263 8.748 1.00 0.00 C ATOM 354 C ASP A 22 4.851 -5.143 9.140 1.00 0.00 C ATOM 355 O ASP A 22 4.822 -5.701 10.236 1.00 0.00 O ATOM 356 CB ASP A 22 5.826 -2.878 9.362 1.00 0.00 C ATOM 357 CG ASP A 22 6.594 -1.744 8.681 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.569 -2.067 7.967 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.190 -0.580 8.888 1.00 0.00 O ATOM 0 H ASP A 22 6.233 -3.244 6.927 1.00 0.00 H new ATOM 0 HA ASP A 22 6.977 -4.680 9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.762 -2.645 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.116 -2.914 10.412 1.00 0.00 H new ATOM 364 N GLY A 23 3.899 -5.239 8.224 1.00 0.00 N ATOM 365 CA GLY A 23 2.710 -6.041 8.461 1.00 0.00 C ATOM 366 C GLY A 23 1.966 -5.563 9.709 1.00 0.00 C ATOM 367 O GLY A 23 1.129 -6.283 10.251 1.00 0.00 O ATOM 0 H GLY A 23 3.926 -4.775 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.050 -5.984 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.991 -7.088 8.579 1.00 0.00 H new ATOM 371 N ASP A 24 2.299 -4.352 10.130 1.00 0.00 N ATOM 372 CA ASP A 24 1.673 -3.769 11.305 1.00 0.00 C ATOM 373 C ASP A 24 0.165 -3.652 11.069 1.00 0.00 C ATOM 374 O ASP A 24 -0.623 -3.741 12.009 1.00 0.00 O ATOM 375 CB ASP A 24 2.218 -2.367 11.582 1.00 0.00 C ATOM 376 CG ASP A 24 2.144 -1.399 10.400 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.699 -1.851 9.323 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.534 -0.229 10.600 1.00 0.00 O ATOM 0 H ASP A 24 2.994 -3.758 9.678 1.00 0.00 H new ATOM 0 HA ASP A 24 1.889 -4.414 12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.666 -1.938 12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.258 -2.454 11.897 1.00 0.00 H new ATOM 383 N GLY A 25 -0.190 -3.454 9.808 1.00 0.00 N ATOM 384 CA GLY A 25 -1.589 -3.323 9.436 1.00 0.00 C ATOM 385 C GLY A 25 -1.829 -2.033 8.649 1.00 0.00 C ATOM 386 O GLY A 25 -2.959 -1.738 8.264 1.00 0.00 O ATOM 0 H GLY A 25 0.467 -3.381 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.891 -4.181 8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.209 -3.327 10.332 1.00 0.00 H new ATOM 390 N THR A 26 -0.747 -1.300 8.433 1.00 0.00 N ATOM 391 CA THR A 26 -0.826 -0.048 7.699 1.00 0.00 C ATOM 392 C THR A 26 0.278 0.020 6.642 1.00 0.00 C ATOM 393 O THR A 26 1.371 -0.506 6.845 1.00 0.00 O ATOM 394 CB THR A 26 -0.770 1.098 8.711 1.00 0.00 C ATOM 395 OG1 THR A 26 0.426 0.854 9.446 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.879 1.007 9.761 1.00 0.00 C ATOM 0 H THR A 26 0.189 -1.549 8.753 1.00 0.00 H new ATOM 0 HA THR A 26 -1.764 0.030 7.150 1.00 0.00 H new ATOM 0 HB THR A 26 -0.846 2.050 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.541 1.552 10.124 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.793 1.844 10.454 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.851 1.042 9.268 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.784 0.070 10.310 1.00 0.00 H new ATOM 404 N ILE A 27 -0.046 0.673 5.535 1.00 0.00 N ATOM 405 CA ILE A 27 0.904 0.817 4.446 1.00 0.00 C ATOM 406 C ILE A 27 1.273 2.293 4.288 1.00 0.00 C ATOM 407 O ILE A 27 0.456 3.097 3.842 1.00 0.00 O ATOM 408 CB ILE A 27 0.355 0.180 3.167 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.112 -1.318 3.361 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.272 0.463 1.976 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.688 -1.899 2.194 1.00 0.00 C ATOM 0 H ILE A 27 -0.954 1.108 5.369 1.00 0.00 H new ATOM 0 HA ILE A 27 1.825 0.280 4.672 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.610 0.636 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.067 -1.837 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.426 -1.485 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.859 -0.001 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.350 1.540 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.262 0.052 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.847 -2.965 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.652 -1.395 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.136 -1.752 1.266 1.00 0.00 H new ATOM 423 N THR A 28 2.505 2.606 4.663 1.00 0.00 N ATOM 424 CA THR A 28 2.992 3.971 4.569 1.00 0.00 C ATOM 425 C THR A 28 3.479 4.267 3.149 1.00 0.00 C ATOM 426 O THR A 28 3.001 3.667 2.187 1.00 0.00 O ATOM 427 CB THR A 28 4.074 4.162 5.634 1.00 0.00 C ATOM 428 OG1 THR A 28 4.495 5.513 5.463 1.00 0.00 O ATOM 429 CG2 THR A 28 5.332 3.340 5.345 1.00 0.00 C ATOM 0 H THR A 28 3.180 1.937 5.033 1.00 0.00 H new ATOM 0 HA THR A 28 2.195 4.689 4.762 1.00 0.00 H new ATOM 0 HB THR A 28 3.676 3.884 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.196 5.722 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.068 3.512 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.075 2.281 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.750 3.641 4.384 1.00 0.00 H new ATOM 437 N THR A 29 4.424 5.192 3.062 1.00 0.00 N ATOM 438 CA THR A 29 4.981 5.574 1.776 1.00 0.00 C ATOM 439 C THR A 29 6.191 4.702 1.438 1.00 0.00 C ATOM 440 O THR A 29 6.324 4.228 0.310 1.00 0.00 O ATOM 441 CB THR A 29 5.304 7.069 1.826 1.00 0.00 C ATOM 442 OG1 THR A 29 6.095 7.213 3.003 1.00 0.00 O ATOM 443 CG2 THR A 29 4.068 7.927 2.101 1.00 0.00 C ATOM 0 H THR A 29 4.818 5.688 3.862 1.00 0.00 H new ATOM 0 HA THR A 29 4.266 5.408 0.970 1.00 0.00 H new ATOM 0 HB THR A 29 5.755 7.375 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.351 8.153 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.353 8.979 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.333 7.769 1.312 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.636 7.645 3.061 1.00 0.00 H new ATOM 451 N LYS A 30 7.043 4.516 2.435 1.00 0.00 N ATOM 452 CA LYS A 30 8.238 3.708 2.258 1.00 0.00 C ATOM 453 C LYS A 30 7.834 2.252 2.022 1.00 0.00 C ATOM 454 O LYS A 30 8.608 1.470 1.472 1.00 0.00 O ATOM 455 CB LYS A 30 9.193 3.899 3.437 1.00 0.00 C ATOM 456 CG LYS A 30 10.645 3.672 3.010 1.00 0.00 C ATOM 457 CD LYS A 30 11.583 3.696 4.219 1.00 0.00 C ATOM 458 CE LYS A 30 12.275 2.343 4.402 1.00 0.00 C ATOM 459 NZ LYS A 30 11.465 1.461 5.272 1.00 0.00 N ATOM 0 H LYS A 30 6.930 4.911 3.369 1.00 0.00 H new ATOM 0 HA LYS A 30 8.790 4.032 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.082 4.906 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.933 3.205 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.731 2.714 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.943 4.442 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.332 4.477 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.018 3.944 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.424 1.870 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.262 2.489 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.948 0.547 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.345 1.908 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.532 1.308 4.839 1.00 0.00 H new ATOM 473 N GLU A 31 6.622 1.931 2.450 1.00 0.00 N ATOM 474 CA GLU A 31 6.105 0.582 2.293 1.00 0.00 C ATOM 475 C GLU A 31 5.305 0.468 0.994 1.00 0.00 C ATOM 476 O GLU A 31 4.971 -0.634 0.560 1.00 0.00 O ATOM 477 CB GLU A 31 5.255 0.176 3.498 1.00 0.00 C ATOM 478 CG GLU A 31 6.087 0.181 4.782 1.00 0.00 C ATOM 479 CD GLU A 31 5.199 -0.022 6.012 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.424 -1.002 5.997 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.315 0.809 6.939 1.00 0.00 O ATOM 0 H GLU A 31 5.983 2.582 2.906 1.00 0.00 H new ATOM 0 HA GLU A 31 6.949 -0.105 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.414 0.862 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.837 -0.817 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.837 -0.608 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.623 1.126 4.868 1.00 0.00 H new ATOM 488 N LEU A 32 5.019 1.622 0.409 1.00 0.00 N ATOM 489 CA LEU A 32 4.263 1.666 -0.831 1.00 0.00 C ATOM 490 C LEU A 32 5.234 1.685 -2.014 1.00 0.00 C ATOM 491 O LEU A 32 4.966 1.079 -3.051 1.00 0.00 O ATOM 492 CB LEU A 32 3.284 2.841 -0.821 1.00 0.00 C ATOM 493 CG LEU A 32 2.125 2.758 -1.816 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.871 2.188 -1.151 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.862 4.117 -2.467 1.00 0.00 C ATOM 0 H LEU A 32 5.297 2.534 0.771 1.00 0.00 H new ATOM 0 HA LEU A 32 3.649 0.771 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.869 2.934 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.843 3.755 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 32 2.408 2.070 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.062 2.140 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.081 1.186 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.574 2.831 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.033 4.030 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.610 4.846 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.755 4.445 -2.999 1.00 0.00 H new ATOM 507 N GLY A 33 6.341 2.386 -1.819 1.00 0.00 N ATOM 508 CA GLY A 33 7.353 2.491 -2.856 1.00 0.00 C ATOM 509 C GLY A 33 8.285 1.278 -2.838 1.00 0.00 C ATOM 510 O GLY A 33 9.079 1.088 -3.758 1.00 0.00 O ATOM 0 H GLY A 33 6.559 2.887 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.873 2.570 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.933 3.402 -2.712 1.00 0.00 H new ATOM 514 N THR A 34 8.157 0.489 -1.781 1.00 0.00 N ATOM 515 CA THR A 34 8.978 -0.700 -1.632 1.00 0.00 C ATOM 516 C THR A 34 8.575 -1.760 -2.659 1.00 0.00 C ATOM 517 O THR A 34 9.372 -2.132 -3.518 1.00 0.00 O ATOM 518 CB THR A 34 8.857 -1.179 -0.184 1.00 0.00 C ATOM 519 OG1 THR A 34 10.045 -0.702 0.441 1.00 0.00 O ATOM 520 CG2 THR A 34 8.956 -2.701 -0.060 1.00 0.00 C ATOM 0 H THR A 34 7.497 0.650 -1.020 1.00 0.00 H new ATOM 0 HA THR A 34 10.027 -0.483 -1.832 1.00 0.00 H new ATOM 0 HB THR A 34 7.907 -0.842 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.849 0.127 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.864 -2.987 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.155 -3.166 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.920 -3.035 -0.444 1.00 0.00 H new ATOM 528 N VAL A 35 7.337 -2.216 -2.536 1.00 0.00 N ATOM 529 CA VAL A 35 6.817 -3.225 -3.442 1.00 0.00 C ATOM 530 C VAL A 35 7.091 -2.797 -4.886 1.00 0.00 C ATOM 531 O VAL A 35 7.220 -3.640 -5.773 1.00 0.00 O ATOM 532 CB VAL A 35 5.333 -3.467 -3.162 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.597 -3.896 -4.433 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.146 -4.497 -2.046 1.00 0.00 C ATOM 0 H VAL A 35 6.679 -1.905 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 35 7.323 -4.177 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 35 4.899 -2.526 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.544 -4.061 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.687 -3.114 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.035 -4.819 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.082 -4.650 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.604 -5.441 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.619 -4.134 -1.133 1.00 0.00 H new ATOM 544 N MET A 36 7.171 -1.489 -5.076 1.00 0.00 N ATOM 545 CA MET A 36 7.427 -0.939 -6.396 1.00 0.00 C ATOM 546 C MET A 36 8.852 -1.256 -6.856 1.00 0.00 C ATOM 547 O MET A 36 9.068 -1.633 -8.006 1.00 0.00 O ATOM 548 CB MET A 36 7.226 0.577 -6.366 1.00 0.00 C ATOM 549 CG MET A 36 5.782 0.932 -6.004 1.00 0.00 C ATOM 550 SD MET A 36 5.059 1.936 -7.291 1.00 0.00 S ATOM 551 CE MET A 36 3.458 1.159 -7.427 1.00 0.00 C ATOM 0 H MET A 36 7.063 -0.794 -4.338 1.00 0.00 H new ATOM 0 HA MET A 36 6.729 -1.393 -7.099 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.907 1.023 -5.641 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.475 1.000 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.198 0.022 -5.870 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.758 1.469 -5.056 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.852 1.699 -8.155 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.581 0.126 -7.752 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.961 1.177 -6.457 1.00 0.00 H new ATOM 561 N ARG A 37 9.788 -1.091 -5.932 1.00 0.00 N ATOM 562 CA ARG A 37 11.186 -1.355 -6.228 1.00 0.00 C ATOM 563 C ARG A 37 11.396 -2.843 -6.513 1.00 0.00 C ATOM 564 O ARG A 37 12.392 -3.226 -7.126 1.00 0.00 O ATOM 565 CB ARG A 37 12.084 -0.934 -5.063 1.00 0.00 C ATOM 566 CG ARG A 37 12.215 0.589 -4.994 1.00 0.00 C ATOM 567 CD ARG A 37 12.298 1.067 -3.543 1.00 0.00 C ATOM 568 NE ARG A 37 11.406 2.231 -3.341 1.00 0.00 N ATOM 569 CZ ARG A 37 11.741 3.494 -3.635 1.00 0.00 C ATOM 570 NH1 ARG A 37 12.950 3.765 -4.146 1.00 0.00 N ATOM 571 NH2 ARG A 37 10.867 4.487 -3.419 1.00 0.00 N ATOM 0 H ARG A 37 9.605 -0.778 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 37 11.455 -0.772 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.671 -1.310 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.071 -1.383 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.106 0.906 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.360 1.054 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.014 0.259 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.325 1.339 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 37 10.478 2.060 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.615 3.009 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.205 4.727 -4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.947 4.281 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.122 5.449 -3.643 1.00 0.00 H new ATOM 585 N SER A 38 10.443 -3.641 -6.055 1.00 0.00 N ATOM 586 CA SER A 38 10.511 -5.079 -6.254 1.00 0.00 C ATOM 587 C SER A 38 9.500 -5.509 -7.318 1.00 0.00 C ATOM 588 O SER A 38 8.954 -6.609 -7.252 1.00 0.00 O ATOM 589 CB SER A 38 10.256 -5.828 -4.945 1.00 0.00 C ATOM 590 OG SER A 38 10.583 -7.211 -5.049 1.00 0.00 O ATOM 0 H SER A 38 9.619 -3.319 -5.547 1.00 0.00 H new ATOM 0 HA SER A 38 11.515 -5.330 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.845 -5.375 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.208 -5.723 -4.666 1.00 0.00 H new ATOM 0 HG SER A 38 10.173 -7.584 -5.857 1.00 0.00 H new ATOM 596 N LEU A 39 9.281 -4.618 -8.274 1.00 0.00 N ATOM 597 CA LEU A 39 8.345 -4.892 -9.351 1.00 0.00 C ATOM 598 C LEU A 39 8.843 -4.226 -10.636 1.00 0.00 C ATOM 599 O LEU A 39 8.853 -4.848 -11.697 1.00 0.00 O ATOM 600 CB LEU A 39 6.929 -4.473 -8.950 1.00 0.00 C ATOM 601 CG LEU A 39 5.797 -5.005 -9.831 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.717 -5.683 -8.985 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.221 -3.896 -10.714 1.00 0.00 C ATOM 0 H LEU A 39 9.735 -3.706 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 39 8.292 -5.963 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.751 -4.801 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.880 -3.384 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 39 6.210 -5.764 -10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.924 -6.052 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.155 -6.517 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.302 -4.963 -8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.418 -4.301 -11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.828 -3.097 -10.085 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.006 -3.498 -11.357 1.00 0.00 H new ATOM 615 N GLY A 40 9.243 -2.971 -10.497 1.00 0.00 N ATOM 616 CA GLY A 40 9.741 -2.214 -11.633 1.00 0.00 C ATOM 617 C GLY A 40 9.276 -0.758 -11.567 1.00 0.00 C ATOM 618 O GLY A 40 8.851 -0.192 -12.573 1.00 0.00 O ATOM 0 H GLY A 40 9.232 -2.459 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.830 -2.251 -11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.392 -2.670 -12.560 1.00 0.00 H new ATOM 622 N GLN A 41 9.374 -0.192 -10.373 1.00 0.00 N ATOM 623 CA GLN A 41 8.969 1.187 -10.163 1.00 0.00 C ATOM 624 C GLN A 41 9.834 1.835 -9.079 1.00 0.00 C ATOM 625 O GLN A 41 10.716 1.189 -8.515 1.00 0.00 O ATOM 626 CB GLN A 41 7.484 1.275 -9.805 1.00 0.00 C ATOM 627 CG GLN A 41 6.633 1.522 -11.053 1.00 0.00 C ATOM 628 CD GLN A 41 5.254 2.066 -10.676 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.037 3.263 -10.572 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.336 1.124 -10.479 1.00 0.00 N ATOM 0 H GLN A 41 9.728 -0.664 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 41 9.117 1.734 -11.094 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.167 0.351 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.326 2.080 -9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.140 2.229 -11.709 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.521 0.593 -11.611 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.584 0.140 -10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.383 1.385 -10.224 1.00 0.00 H new ATOM 639 N ASN A 42 9.550 3.103 -8.821 1.00 0.00 N ATOM 640 CA ASN A 42 10.291 3.845 -7.814 1.00 0.00 C ATOM 641 C ASN A 42 9.786 5.289 -7.778 1.00 0.00 C ATOM 642 O ASN A 42 10.528 6.218 -8.092 1.00 0.00 O ATOM 643 CB ASN A 42 11.785 3.875 -8.141 1.00 0.00 C ATOM 644 CG ASN A 42 12.603 4.310 -6.923 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.225 5.194 -6.172 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.743 3.642 -6.771 1.00 0.00 N ATOM 0 H ASN A 42 8.818 3.635 -9.291 1.00 0.00 H new ATOM 0 HA ASN A 42 10.142 3.352 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.110 2.887 -8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.966 4.560 -8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.361 3.859 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.000 2.913 -7.437 1.00 0.00 H new ATOM 653 N PRO A 43 8.494 5.436 -7.381 1.00 0.00 N ATOM 654 CA PRO A 43 7.881 6.751 -7.299 1.00 0.00 C ATOM 655 C PRO A 43 8.381 7.514 -6.070 1.00 0.00 C ATOM 656 O PRO A 43 8.502 6.943 -4.987 1.00 0.00 O ATOM 657 CB PRO A 43 6.385 6.487 -7.265 1.00 0.00 C ATOM 658 CG PRO A 43 6.228 5.030 -6.861 1.00 0.00 C ATOM 659 CD PRO A 43 7.584 4.359 -7.001 1.00 0.00 C ATOM 0 HA PRO A 43 8.140 7.389 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.888 7.146 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.933 6.673 -8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.869 4.955 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.490 4.536 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.893 3.891 -6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.561 3.575 -7.757 1.00 0.00 H new ATOM 667 N THR A 44 8.659 8.792 -6.279 1.00 0.00 N ATOM 668 CA THR A 44 9.144 9.639 -5.202 1.00 0.00 C ATOM 669 C THR A 44 8.120 9.694 -4.066 1.00 0.00 C ATOM 670 O THR A 44 6.936 9.439 -4.280 1.00 0.00 O ATOM 671 CB THR A 44 9.473 11.012 -5.792 1.00 0.00 C ATOM 672 OG1 THR A 44 8.266 11.412 -6.435 1.00 0.00 O ATOM 673 CG2 THR A 44 10.492 10.932 -6.929 1.00 0.00 C ATOM 0 H THR A 44 8.558 9.262 -7.178 1.00 0.00 H new ATOM 0 HA THR A 44 10.054 9.234 -4.758 1.00 0.00 H new ATOM 0 HB THR A 44 9.857 11.662 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.390 12.294 -6.844 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.690 11.933 -7.312 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.419 10.496 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.095 10.309 -7.731 1.00 0.00 H new ATOM 681 N GLU A 45 8.615 10.029 -2.883 1.00 0.00 N ATOM 682 CA GLU A 45 7.758 10.121 -1.713 1.00 0.00 C ATOM 683 C GLU A 45 6.555 11.020 -2.006 1.00 0.00 C ATOM 684 O GLU A 45 5.473 10.814 -1.457 1.00 0.00 O ATOM 685 CB GLU A 45 8.540 10.629 -0.500 1.00 0.00 C ATOM 686 CG GLU A 45 9.445 9.534 0.067 1.00 0.00 C ATOM 687 CD GLU A 45 10.803 10.105 0.479 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.804 11.230 1.025 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.810 9.403 0.240 1.00 0.00 O ATOM 0 H GLU A 45 9.598 10.240 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 45 7.391 9.122 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.142 11.491 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.846 10.966 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.965 9.070 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.586 8.752 -0.679 1.00 0.00 H new ATOM 696 N ALA A 46 6.783 11.997 -2.871 1.00 0.00 N ATOM 697 CA ALA A 46 5.731 12.928 -3.243 1.00 0.00 C ATOM 698 C ALA A 46 4.654 12.184 -4.035 1.00 0.00 C ATOM 699 O ALA A 46 3.463 12.362 -3.788 1.00 0.00 O ATOM 700 CB ALA A 46 6.335 14.092 -4.031 1.00 0.00 C ATOM 0 H ALA A 46 7.681 12.164 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 46 5.257 13.346 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.546 14.791 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.073 14.605 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.817 13.711 -4.931 1.00 0.00 H new ATOM 706 N GLU A 47 5.113 11.366 -4.971 1.00 0.00 N ATOM 707 CA GLU A 47 4.203 10.594 -5.801 1.00 0.00 C ATOM 708 C GLU A 47 3.322 9.696 -4.929 1.00 0.00 C ATOM 709 O GLU A 47 2.099 9.825 -4.938 1.00 0.00 O ATOM 710 CB GLU A 47 4.972 9.769 -6.836 1.00 0.00 C ATOM 711 CG GLU A 47 4.017 8.922 -7.680 1.00 0.00 C ATOM 712 CD GLU A 47 4.117 9.295 -9.160 1.00 0.00 C ATOM 713 OE1 GLU A 47 5.061 8.794 -9.809 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.248 10.073 -9.610 1.00 0.00 O ATOM 0 H GLU A 47 6.102 11.221 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 47 3.559 11.287 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.544 10.433 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.689 9.121 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.251 7.865 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.994 9.066 -7.333 1.00 0.00 H new ATOM 721 N LEU A 48 3.978 8.807 -4.198 1.00 0.00 N ATOM 722 CA LEU A 48 3.269 7.889 -3.323 1.00 0.00 C ATOM 723 C LEU A 48 2.216 8.661 -2.526 1.00 0.00 C ATOM 724 O LEU A 48 1.026 8.358 -2.606 1.00 0.00 O ATOM 725 CB LEU A 48 4.256 7.114 -2.448 1.00 0.00 C ATOM 726 CG LEU A 48 5.315 6.298 -3.192 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.578 6.136 -2.344 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.751 4.950 -3.645 1.00 0.00 C ATOM 0 H LEU A 48 4.993 8.703 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 48 2.739 7.138 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.765 7.822 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.690 6.438 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 48 5.599 6.846 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.315 5.552 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.991 7.118 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.329 5.622 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.524 4.390 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.421 4.383 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.905 5.115 -4.312 1.00 0.00 H new ATOM 740 N GLN A 49 2.691 9.644 -1.775 1.00 0.00 N ATOM 741 CA GLN A 49 1.805 10.462 -0.965 1.00 0.00 C ATOM 742 C GLN A 49 0.539 10.813 -1.750 1.00 0.00 C ATOM 743 O GLN A 49 -0.567 10.741 -1.217 1.00 0.00 O ATOM 744 CB GLN A 49 2.517 11.726 -0.479 1.00 0.00 C ATOM 745 CG GLN A 49 2.059 12.106 0.930 1.00 0.00 C ATOM 746 CD GLN A 49 3.005 11.534 1.988 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.218 11.563 1.853 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.386 11.013 3.043 1.00 0.00 N ATOM 0 H GLN A 49 3.678 9.892 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 49 1.515 9.887 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.595 11.565 -0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.315 12.548 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.018 13.191 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.049 11.733 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.367 11.022 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.930 10.605 3.803 1.00 0.00 H new ATOM 757 N ASP A 50 0.745 11.186 -3.005 1.00 0.00 N ATOM 758 CA ASP A 50 -0.366 11.548 -3.869 1.00 0.00 C ATOM 759 C ASP A 50 -1.263 10.327 -4.078 1.00 0.00 C ATOM 760 O ASP A 50 -2.487 10.450 -4.114 1.00 0.00 O ATOM 761 CB ASP A 50 0.132 12.010 -5.241 1.00 0.00 C ATOM 762 CG ASP A 50 -0.156 13.475 -5.573 1.00 0.00 C ATOM 763 OD1 ASP A 50 -1.268 13.734 -6.082 1.00 0.00 O ATOM 764 OD2 ASP A 50 0.743 14.303 -5.311 1.00 0.00 O ATOM 0 H ASP A 50 1.664 11.245 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.914 12.360 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.208 11.846 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.325 11.383 -6.007 1.00 0.00 H new ATOM 769 N MET A 51 -0.621 9.176 -4.211 1.00 0.00 N ATOM 770 CA MET A 51 -1.346 7.933 -4.415 1.00 0.00 C ATOM 771 C MET A 51 -2.096 7.521 -3.147 1.00 0.00 C ATOM 772 O MET A 51 -3.305 7.301 -3.181 1.00 0.00 O ATOM 773 CB MET A 51 -0.364 6.828 -4.810 1.00 0.00 C ATOM 774 CG MET A 51 0.474 7.246 -6.020 1.00 0.00 C ATOM 775 SD MET A 51 1.884 6.165 -6.189 1.00 0.00 S ATOM 776 CE MET A 51 1.155 4.853 -7.156 1.00 0.00 C ATOM 0 H MET A 51 0.394 9.078 -4.181 1.00 0.00 H new ATOM 0 HA MET A 51 -2.074 8.086 -5.211 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.292 6.602 -3.969 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.912 5.915 -5.041 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.134 7.208 -6.924 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.808 8.277 -5.903 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.905 4.087 -7.354 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.324 4.413 -6.605 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.791 5.257 -8.101 1.00 0.00 H new ATOM 786 N ILE A 52 -1.346 7.429 -2.058 1.00 0.00 N ATOM 787 CA ILE A 52 -1.925 7.047 -0.782 1.00 0.00 C ATOM 788 C ILE A 52 -3.227 7.821 -0.565 1.00 0.00 C ATOM 789 O ILE A 52 -4.240 7.242 -0.176 1.00 0.00 O ATOM 790 CB ILE A 52 -0.906 7.230 0.345 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.189 6.164 0.272 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.596 7.250 1.710 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.007 6.129 1.564 1.00 0.00 C ATOM 0 H ILE A 52 -0.343 7.612 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.180 5.987 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.422 8.198 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.261 5.187 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.846 6.370 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.849 7.381 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.308 8.074 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.123 6.309 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.778 5.363 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.475 7.100 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.351 5.899 2.404 1.00 0.00 H new ATOM 805 N ASN A 53 -3.157 9.118 -0.825 1.00 0.00 N ATOM 806 CA ASN A 53 -4.318 9.977 -0.663 1.00 0.00 C ATOM 807 C ASN A 53 -5.497 9.385 -1.437 1.00 0.00 C ATOM 808 O ASN A 53 -6.636 9.436 -0.974 1.00 0.00 O ATOM 809 CB ASN A 53 -4.046 11.379 -1.214 1.00 0.00 C ATOM 810 CG ASN A 53 -3.675 12.348 -0.090 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.314 12.409 0.947 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.610 13.099 -0.353 1.00 0.00 N ATOM 0 H ASN A 53 -2.315 9.595 -1.147 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.542 10.045 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.237 11.336 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.929 11.745 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.282 13.777 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.121 12.997 -1.242 1.00 0.00 H new ATOM 819 N GLU A 54 -5.184 8.837 -2.602 1.00 0.00 N ATOM 820 CA GLU A 54 -6.204 8.235 -3.444 1.00 0.00 C ATOM 821 C GLU A 54 -6.882 7.076 -2.711 1.00 0.00 C ATOM 822 O GLU A 54 -8.078 6.845 -2.880 1.00 0.00 O ATOM 823 CB GLU A 54 -5.612 7.770 -4.776 1.00 0.00 C ATOM 824 CG GLU A 54 -4.875 8.914 -5.477 1.00 0.00 C ATOM 825 CD GLU A 54 -4.872 8.715 -6.994 1.00 0.00 C ATOM 826 OE1 GLU A 54 -5.899 9.064 -7.614 1.00 0.00 O ATOM 827 OE2 GLU A 54 -3.842 8.219 -7.499 1.00 0.00 O ATOM 0 H GLU A 54 -4.239 8.797 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.958 8.991 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.925 6.942 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.407 7.396 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.352 9.863 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.850 8.969 -5.112 1.00 0.00 H new ATOM 834 N VAL A 55 -6.088 6.377 -1.913 1.00 0.00 N ATOM 835 CA VAL A 55 -6.596 5.248 -1.153 1.00 0.00 C ATOM 836 C VAL A 55 -6.600 5.600 0.336 1.00 0.00 C ATOM 837 O VAL A 55 -6.394 4.732 1.183 1.00 0.00 O ATOM 838 CB VAL A 55 -5.778 3.994 -1.469 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.500 3.111 -2.489 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.376 4.363 -1.958 1.00 0.00 C ATOM 0 H VAL A 55 -5.096 6.571 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.625 5.029 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.671 3.422 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.897 2.227 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.466 2.806 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.652 3.671 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.816 3.454 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.453 4.967 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.859 4.932 -1.185 1.00 0.00 H new ATOM 850 N ASP A 56 -6.836 6.874 0.609 1.00 0.00 N ATOM 851 CA ASP A 56 -6.869 7.352 1.981 1.00 0.00 C ATOM 852 C ASP A 56 -7.676 8.650 2.045 1.00 0.00 C ATOM 853 O ASP A 56 -7.183 9.711 1.664 1.00 0.00 O ATOM 854 CB ASP A 56 -5.459 7.645 2.496 1.00 0.00 C ATOM 855 CG ASP A 56 -5.399 8.464 3.787 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.429 7.830 4.864 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.325 9.706 3.669 1.00 0.00 O ATOM 0 H ASP A 56 -7.006 7.591 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.324 6.577 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.944 6.698 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.908 8.177 1.720 1.00 0.00 H new ATOM 862 N ALA A 57 -8.902 8.524 2.531 1.00 0.00 N ATOM 863 CA ALA A 57 -9.782 9.674 2.650 1.00 0.00 C ATOM 864 C ALA A 57 -9.717 10.215 4.080 1.00 0.00 C ATOM 865 O ALA A 57 -10.255 11.282 4.369 1.00 0.00 O ATOM 866 CB ALA A 57 -11.201 9.276 2.241 1.00 0.00 C ATOM 0 H ALA A 57 -9.307 7.643 2.847 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.462 10.473 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.861 10.139 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.198 8.927 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.557 8.478 2.892 1.00 0.00 H new ATOM 872 N ASP A 58 -9.053 9.452 4.937 1.00 0.00 N ATOM 873 CA ASP A 58 -8.911 9.841 6.330 1.00 0.00 C ATOM 874 C ASP A 58 -7.814 10.900 6.449 1.00 0.00 C ATOM 875 O ASP A 58 -7.914 11.813 7.268 1.00 0.00 O ATOM 876 CB ASP A 58 -8.512 8.646 7.197 1.00 0.00 C ATOM 877 CG ASP A 58 -7.058 8.650 7.673 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.702 9.599 8.404 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.334 7.703 7.295 1.00 0.00 O ATOM 0 H ASP A 58 -8.608 8.567 4.693 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.870 10.230 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.164 8.616 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.691 7.731 6.633 1.00 0.00 H new ATOM 884 N GLY A 59 -6.791 10.743 5.621 1.00 0.00 N ATOM 885 CA GLY A 59 -5.676 11.675 5.624 1.00 0.00 C ATOM 886 C GLY A 59 -4.734 11.399 6.799 1.00 0.00 C ATOM 887 O GLY A 59 -4.142 12.323 7.354 1.00 0.00 O ATOM 0 H GLY A 59 -6.711 9.984 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.127 11.594 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.051 12.696 5.686 1.00 0.00 H new ATOM 891 N ASN A 60 -4.626 10.124 7.142 1.00 0.00 N ATOM 892 CA ASN A 60 -3.767 9.715 8.240 1.00 0.00 C ATOM 893 C ASN A 60 -2.310 9.722 7.771 1.00 0.00 C ATOM 894 O ASN A 60 -1.392 9.786 8.588 1.00 0.00 O ATOM 895 CB ASN A 60 -4.107 8.299 8.707 1.00 0.00 C ATOM 896 CG ASN A 60 -3.849 7.278 7.597 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.616 7.617 6.448 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.903 6.013 8.002 1.00 0.00 N ATOM 0 H ASN A 60 -5.119 9.361 6.679 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.918 10.412 9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.509 8.048 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.153 8.254 9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.744 5.257 7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.103 5.798 8.979 1.00 0.00 H new ATOM 905 N GLY A 61 -2.144 9.654 6.459 1.00 0.00 N ATOM 906 CA GLY A 61 -0.815 9.651 5.872 1.00 0.00 C ATOM 907 C GLY A 61 -0.427 8.248 5.399 1.00 0.00 C ATOM 908 O GLY A 61 0.346 8.099 4.454 1.00 0.00 O ATOM 0 H GLY A 61 -2.908 9.601 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.784 10.344 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.089 10.005 6.604 1.00 0.00 H new ATOM 912 N THR A 62 -0.982 7.255 6.079 1.00 0.00 N ATOM 913 CA THR A 62 -0.704 5.870 5.740 1.00 0.00 C ATOM 914 C THR A 62 -1.928 5.224 5.088 1.00 0.00 C ATOM 915 O THR A 62 -2.937 5.889 4.861 1.00 0.00 O ATOM 916 CB THR A 62 -0.245 5.155 7.013 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.445 4.973 7.760 1.00 0.00 O ATOM 918 CG2 THR A 62 0.619 6.047 7.907 1.00 0.00 C ATOM 0 H THR A 62 -1.622 7.382 6.863 1.00 0.00 H new ATOM 0 HA THR A 62 0.095 5.796 5.002 1.00 0.00 H new ATOM 0 HB THR A 62 0.315 4.260 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.240 4.515 8.602 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.917 5.491 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.508 6.359 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.048 6.927 8.204 1.00 0.00 H new ATOM 926 N ILE A 63 -1.798 3.936 4.805 1.00 0.00 N ATOM 927 CA ILE A 63 -2.881 3.193 4.184 1.00 0.00 C ATOM 928 C ILE A 63 -3.219 1.976 5.046 1.00 0.00 C ATOM 929 O ILE A 63 -2.329 1.349 5.618 1.00 0.00 O ATOM 930 CB ILE A 63 -2.529 2.843 2.737 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.269 4.107 1.914 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.609 1.961 2.108 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.389 4.339 0.898 1.00 0.00 C ATOM 0 H ILE A 63 -0.959 3.388 4.994 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.781 3.805 4.130 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.604 2.266 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.191 4.968 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.315 4.017 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.334 1.727 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.702 1.037 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.562 2.490 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.180 5.243 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.448 3.487 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.338 4.452 1.422 1.00 0.00 H new ATOM 945 N ASP A 64 -4.509 1.678 5.113 1.00 0.00 N ATOM 946 CA ASP A 64 -4.976 0.547 5.896 1.00 0.00 C ATOM 947 C ASP A 64 -5.440 -0.564 4.953 1.00 0.00 C ATOM 948 O ASP A 64 -5.174 -0.516 3.753 1.00 0.00 O ATOM 949 CB ASP A 64 -6.159 0.941 6.782 1.00 0.00 C ATOM 950 CG ASP A 64 -5.897 2.115 7.727 1.00 0.00 C ATOM 951 OD1 ASP A 64 -5.121 3.007 7.322 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.478 2.094 8.833 1.00 0.00 O ATOM 0 H ASP A 64 -5.245 2.201 4.638 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.152 0.209 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.005 1.191 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.453 0.075 7.375 1.00 0.00 H new ATOM 957 N PHE A 65 -6.127 -1.539 5.531 1.00 0.00 N ATOM 958 CA PHE A 65 -6.631 -2.660 4.756 1.00 0.00 C ATOM 959 C PHE A 65 -7.913 -2.280 4.011 1.00 0.00 C ATOM 960 O PHE A 65 -8.070 -2.603 2.835 1.00 0.00 O ATOM 961 CB PHE A 65 -6.946 -3.783 5.747 1.00 0.00 C ATOM 962 CG PHE A 65 -7.303 -5.115 5.085 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.536 -5.598 4.071 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.388 -5.816 5.510 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.868 -6.834 3.457 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.720 -7.053 4.896 1.00 0.00 C ATOM 967 CZ PHE A 65 -7.953 -7.536 3.882 1.00 0.00 C ATOM 0 H PHE A 65 -6.346 -1.576 6.526 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.890 -2.964 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.084 -3.932 6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.775 -3.471 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.674 -5.041 3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.997 -5.432 6.315 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.259 -7.217 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.581 -7.610 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.205 -8.476 3.414 1.00 0.00 H new ATOM 977 N PRO A 66 -8.819 -1.581 4.746 1.00 0.00 N ATOM 978 CA PRO A 66 -10.081 -1.153 4.168 1.00 0.00 C ATOM 979 C PRO A 66 -9.878 0.035 3.225 1.00 0.00 C ATOM 980 O PRO A 66 -10.766 0.371 2.443 1.00 0.00 O ATOM 981 CB PRO A 66 -10.967 -0.821 5.358 1.00 0.00 C ATOM 982 CG PRO A 66 -10.026 -0.630 6.536 1.00 0.00 C ATOM 983 CD PRO A 66 -8.666 -1.180 6.142 1.00 0.00 C ATOM 0 HA PRO A 66 -10.541 -1.922 3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.549 0.082 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.678 -1.624 5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.950 0.426 6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.407 -1.148 7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.886 -0.427 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.384 -2.026 6.769 1.00 0.00 H new ATOM 991 N GLU A 67 -8.702 0.638 3.329 1.00 0.00 N ATOM 992 CA GLU A 67 -8.371 1.781 2.495 1.00 0.00 C ATOM 993 C GLU A 67 -7.615 1.325 1.246 1.00 0.00 C ATOM 994 O GLU A 67 -7.638 2.002 0.220 1.00 0.00 O ATOM 995 CB GLU A 67 -7.561 2.815 3.280 1.00 0.00 C ATOM 996 CG GLU A 67 -8.134 3.009 4.685 1.00 0.00 C ATOM 997 CD GLU A 67 -7.102 3.652 5.614 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.960 3.847 5.145 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.479 3.933 6.772 1.00 0.00 O ATOM 0 H GLU A 67 -7.967 0.356 3.978 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.299 2.258 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.522 2.492 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.565 3.766 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.024 3.636 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.444 2.046 5.091 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.961 0.179 1.374 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.199 -0.375 0.268 1.00 0.00 C ATOM 1008 C PHE A 68 -7.050 -1.346 -0.552 1.00 0.00 C ATOM 1009 O PHE A 68 -6.932 -1.401 -1.775 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.019 -1.137 0.875 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.553 -2.330 0.039 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.192 -3.526 0.145 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.499 -2.195 -0.810 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.759 -4.634 -0.631 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.066 -3.303 -1.586 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.705 -4.499 -1.480 1.00 0.00 C ATOM 0 H PHE A 68 -6.943 -0.380 2.227 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.869 0.425 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.184 -0.449 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.299 -1.489 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.029 -3.633 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.991 -1.245 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.267 -5.584 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.229 -3.196 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.375 -5.341 -2.070 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.890 -2.089 0.154 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.761 -3.055 -0.493 1.00 0.00 C ATOM 1028 C LEU A 69 -9.294 -2.461 -1.798 1.00 0.00 C ATOM 1029 O LEU A 69 -9.423 -3.165 -2.798 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.860 -3.514 0.468 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.488 -4.655 1.417 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.354 -4.624 2.677 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.561 -6.007 0.704 1.00 0.00 C ATOM 0 H LEU A 69 -7.986 -2.041 1.168 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.204 -3.954 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.173 -2.658 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.723 -3.824 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.455 -4.513 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.069 -5.445 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.208 -3.677 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.403 -4.728 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.292 -6.801 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.575 -6.172 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.868 -6.013 -0.137 1.00 0.00 H new ATOM 1045 N THR A 70 -9.590 -1.170 -1.746 1.00 0.00 N ATOM 1046 CA THR A 70 -10.105 -0.473 -2.912 1.00 0.00 C ATOM 1047 C THR A 70 -9.108 -0.558 -4.069 1.00 0.00 C ATOM 1048 O THR A 70 -9.477 -0.912 -5.187 1.00 0.00 O ATOM 1049 CB THR A 70 -10.435 0.962 -2.497 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.732 1.619 -3.726 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.214 1.711 -1.960 1.00 0.00 C ATOM 0 H THR A 70 -9.483 -0.589 -0.915 1.00 0.00 H new ATOM 0 HA THR A 70 -11.019 -0.939 -3.279 1.00 0.00 H new ATOM 0 HB THR A 70 -11.217 0.950 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.959 2.556 -3.550 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.503 2.724 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.823 1.190 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.445 1.753 -2.731 1.00 0.00 H new ATOM 1059 N MET A 71 -7.863 -0.227 -3.760 1.00 0.00 N ATOM 1060 CA MET A 71 -6.809 -0.261 -4.760 1.00 0.00 C ATOM 1061 C MET A 71 -6.913 -1.520 -5.623 1.00 0.00 C ATOM 1062 O MET A 71 -6.922 -1.437 -6.850 1.00 0.00 O ATOM 1063 CB MET A 71 -5.446 -0.228 -4.066 1.00 0.00 C ATOM 1064 CG MET A 71 -4.581 0.911 -4.611 1.00 0.00 C ATOM 1065 SD MET A 71 -3.097 0.250 -5.350 1.00 0.00 S ATOM 1066 CE MET A 71 -2.106 0.000 -3.887 1.00 0.00 C ATOM 0 H MET A 71 -7.560 0.066 -2.831 1.00 0.00 H new ATOM 0 HA MET A 71 -6.918 0.610 -5.407 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.584 -0.103 -2.992 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.936 -1.180 -4.213 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.142 1.483 -5.350 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.321 1.599 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.137 -0.412 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.961 0.953 -3.379 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.614 -0.694 -3.218 1.00 0.00 H new ATOM 1076 N MET A 72 -6.987 -2.657 -4.947 1.00 0.00 N ATOM 1077 CA MET A 72 -7.090 -3.932 -5.637 1.00 0.00 C ATOM 1078 C MET A 72 -8.324 -3.969 -6.541 1.00 0.00 C ATOM 1079 O MET A 72 -8.229 -4.332 -7.712 1.00 0.00 O ATOM 1080 CB MET A 72 -7.176 -5.063 -4.610 1.00 0.00 C ATOM 1081 CG MET A 72 -5.913 -5.117 -3.747 1.00 0.00 C ATOM 1082 SD MET A 72 -5.034 -6.641 -4.046 1.00 0.00 S ATOM 1083 CE MET A 72 -3.683 -6.031 -5.039 1.00 0.00 C ATOM 0 H MET A 72 -6.978 -2.722 -3.929 1.00 0.00 H new ATOM 0 HA MET A 72 -6.204 -4.060 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.049 -4.916 -3.974 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.311 -6.015 -5.123 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.271 -4.266 -3.975 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.180 -5.042 -2.693 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.031 -6.860 -5.315 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.077 -5.563 -5.941 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.114 -5.297 -4.468 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.453 -3.587 -5.963 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.704 -3.572 -6.701 1.00 0.00 C ATOM 1095 C ALA A 73 -10.514 -2.787 -8.001 1.00 0.00 C ATOM 1096 O ALA A 73 -10.957 -3.222 -9.063 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.810 -2.984 -5.822 1.00 0.00 C ATOM 0 H ALA A 73 -9.527 -3.285 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.004 -4.585 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.748 -2.973 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.925 -3.594 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.545 -1.966 -5.537 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.856 -1.644 -7.874 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.602 -0.795 -9.026 1.00 0.00 C ATOM 1105 C ARG A 74 -9.036 -1.623 -10.182 1.00 0.00 C ATOM 1106 O ARG A 74 -9.342 -1.363 -11.344 1.00 0.00 O ATOM 1107 CB ARG A 74 -8.617 0.323 -8.679 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.065 1.655 -9.283 1.00 0.00 C ATOM 1109 CD ARG A 74 -8.474 2.835 -8.509 1.00 0.00 C ATOM 1110 NE ARG A 74 -7.066 3.051 -8.912 1.00 0.00 N ATOM 1111 CZ ARG A 74 -6.414 4.213 -8.769 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -7.038 5.270 -8.233 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -5.137 4.317 -9.163 1.00 0.00 N ATOM 0 H ARG A 74 -9.491 -1.286 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.551 -0.349 -9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.537 0.419 -7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.625 0.067 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.754 1.708 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.153 1.716 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.058 3.735 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.529 2.642 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.561 2.267 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.010 5.191 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.541 6.154 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.662 3.512 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.640 5.201 -9.054 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.221 -2.604 -9.822 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.610 -3.471 -10.814 1.00 0.00 C ATOM 1129 C LYS A 75 -8.103 -4.904 -10.605 1.00 0.00 C ATOM 1130 O LYS A 75 -9.281 -5.126 -10.330 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.087 -3.333 -10.781 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.418 -4.694 -10.575 1.00 0.00 C ATOM 1133 CD LYS A 75 -3.920 -4.533 -10.308 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.149 -5.784 -10.736 1.00 0.00 C ATOM 1135 NZ LYS A 75 -1.730 -5.684 -10.327 1.00 0.00 N ATOM 1136 OXT LYS A 75 -7.176 -5.841 -10.744 1.00 0.00 O ATOM 0 H LYS A 75 -7.970 -2.817 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.912 -3.173 -11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.738 -2.890 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.797 -2.656 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.887 -5.211 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.569 -5.315 -11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.542 -3.666 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.754 -4.344 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.601 -6.668 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.214 -5.906 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.222 -6.541 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.297 -4.851 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.673 -5.590 -9.293 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.415 -0.574 7.797 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.539 5.708 6.138 1.00 0.00 CE