USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 571 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.5!) USER MOD Set 2.1: A 24 ASN : amide:sc= -3.78 K(o=-4.2,f=-18!) USER MOD Set 2.2: A 26 SER OG : rot -48:sc= -0.404 USER MOD Set 3.1: A 3 ASN : amide:sc= 0.64 X(o=1.3,f=1.1) USER MOD Set 3.2: A 73 SER OG : rot 112:sc= 0.682 USER MOD Single : A 1 SER N :NH3+ -173:sc= 0 (180deg=-0.051) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -80:sc= -0.523 USER MOD Single : A 8 GLN : amide:sc= -0.835 K(o=-0.83,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0954 X(o=0.095,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.828! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 165:sc= -5.99! (180deg=-6.39!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 54:sc= 1.24 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -149:sc= -5.19! (180deg=-7.88!) USER MOD Single : A 53 ASN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= -3.71! C(o=-3.7!,f=-3!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.642 USER MOD Single : A 72 MET CE :methyl -154:sc= -2.01 (180deg=-2.71!) USER MOD Single : A 75 GLN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.710 -7.198 -21.507 1.00 0.00 N ATOM 2 CA SER A 1 -8.695 -6.881 -22.581 1.00 0.00 C ATOM 3 C SER A 1 -9.514 -5.645 -22.200 1.00 0.00 C ATOM 4 O SER A 1 -9.804 -4.802 -23.026 1.00 0.00 O ATOM 5 CB SER A 1 -9.595 -8.113 -22.670 1.00 0.00 C ATOM 6 OG SER A 1 -10.391 -8.029 -23.845 1.00 0.00 O ATOM 0 H1 SER A 1 -7.082 -7.963 -21.827 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.144 -6.352 -21.294 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.216 -7.501 -20.650 1.00 0.00 H new ATOM 0 HA SER A 1 -8.211 -6.660 -23.532 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.990 -9.019 -22.691 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.233 -8.176 -21.788 1.00 0.00 H new ATOM 0 HG SER A 1 -10.968 -8.818 -23.906 1.00 0.00 H new ATOM 14 N SER A 2 -9.889 -5.531 -20.956 1.00 0.00 N ATOM 15 CA SER A 2 -10.689 -4.349 -20.523 1.00 0.00 C ATOM 16 C SER A 2 -10.072 -3.722 -19.270 1.00 0.00 C ATOM 17 O SER A 2 -8.930 -3.971 -18.938 1.00 0.00 O ATOM 18 CB SER A 2 -12.080 -4.903 -20.216 1.00 0.00 C ATOM 19 OG SER A 2 -12.470 -5.791 -21.255 1.00 0.00 O ATOM 0 H SER A 2 -9.677 -6.205 -20.220 1.00 0.00 H new ATOM 0 HA SER A 2 -10.720 -3.570 -21.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.073 -5.425 -19.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.798 -4.088 -20.130 1.00 0.00 H new ATOM 0 HG SER A 2 -13.361 -6.150 -21.061 1.00 0.00 H new ATOM 25 N ASN A 3 -10.818 -2.910 -18.573 1.00 0.00 N ATOM 26 CA ASN A 3 -10.274 -2.268 -17.341 1.00 0.00 C ATOM 27 C ASN A 3 -10.183 -3.291 -16.207 1.00 0.00 C ATOM 28 O ASN A 3 -11.082 -3.418 -15.399 1.00 0.00 O ATOM 29 CB ASN A 3 -11.274 -1.167 -16.992 1.00 0.00 C ATOM 30 CG ASN A 3 -10.589 -0.108 -16.127 1.00 0.00 C ATOM 31 OD1 ASN A 3 -10.219 -0.375 -15.000 1.00 0.00 O ATOM 32 ND2 ASN A 3 -10.403 1.090 -16.606 1.00 0.00 N ATOM 0 H ASN A 3 -11.781 -2.663 -18.802 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.270 -1.872 -17.492 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.662 -0.712 -17.903 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.126 -1.591 -16.460 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.947 1.802 -16.035 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.713 1.315 -17.551 1.00 0.00 H new ATOM 39 N LEU A 4 -9.105 -4.023 -16.140 1.00 0.00 N ATOM 40 CA LEU A 4 -8.958 -5.038 -15.056 1.00 0.00 C ATOM 41 C LEU A 4 -10.114 -6.042 -15.112 1.00 0.00 C ATOM 42 O LEU A 4 -11.095 -5.837 -15.799 1.00 0.00 O ATOM 43 CB LEU A 4 -9.007 -4.237 -13.755 1.00 0.00 C ATOM 44 CG LEU A 4 -7.901 -4.721 -12.815 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.536 -4.371 -13.409 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.054 -4.038 -11.455 1.00 0.00 C ATOM 0 H LEU A 4 -8.320 -3.963 -16.788 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.035 -5.610 -15.148 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.881 -3.175 -13.965 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.981 -4.355 -13.279 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.977 -5.801 -12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.748 -4.716 -12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.426 -4.856 -14.379 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.459 -3.291 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.267 -4.382 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.978 -2.958 -11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.027 -4.287 -11.030 1.00 0.00 H new ATOM 58 N THR A 5 -10.004 -7.126 -14.393 1.00 0.00 N ATOM 59 CA THR A 5 -11.095 -8.141 -14.405 1.00 0.00 C ATOM 60 C THR A 5 -11.100 -8.927 -13.090 1.00 0.00 C ATOM 61 O THR A 5 -10.510 -8.518 -12.110 1.00 0.00 O ATOM 62 CB THR A 5 -10.767 -9.063 -15.580 1.00 0.00 C ATOM 63 OG1 THR A 5 -9.927 -8.377 -16.498 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.059 -9.481 -16.282 1.00 0.00 C ATOM 0 H THR A 5 -9.207 -7.352 -13.799 1.00 0.00 H new ATOM 0 HA THR A 5 -12.081 -7.687 -14.507 1.00 0.00 H new ATOM 0 HB THR A 5 -10.254 -9.952 -15.211 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.470 -7.786 -17.060 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.822 -10.138 -17.119 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.702 -10.008 -15.577 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.576 -8.595 -16.651 1.00 0.00 H new ATOM 72 N GLU A 6 -11.761 -10.052 -13.062 1.00 0.00 N ATOM 73 CA GLU A 6 -11.802 -10.861 -11.811 1.00 0.00 C ATOM 74 C GLU A 6 -10.400 -11.368 -11.461 1.00 0.00 C ATOM 75 O GLU A 6 -9.799 -10.940 -10.495 1.00 0.00 O ATOM 76 CB GLU A 6 -12.733 -12.032 -12.128 1.00 0.00 C ATOM 77 CG GLU A 6 -13.987 -11.938 -11.258 1.00 0.00 C ATOM 78 CD GLU A 6 -14.922 -13.107 -11.580 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.704 -13.751 -12.592 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.837 -13.337 -10.807 1.00 0.00 O ATOM 0 H GLU A 6 -12.274 -10.446 -13.851 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.151 -10.282 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.008 -12.017 -13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.221 -12.977 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.713 -11.958 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.496 -10.991 -11.437 1.00 0.00 H new ATOM 87 N GLU A 7 -9.877 -12.276 -12.237 1.00 0.00 N ATOM 88 CA GLU A 7 -8.515 -12.810 -11.947 1.00 0.00 C ATOM 89 C GLU A 7 -7.533 -11.660 -11.712 1.00 0.00 C ATOM 90 O GLU A 7 -6.704 -11.711 -10.825 1.00 0.00 O ATOM 91 CB GLU A 7 -8.125 -13.601 -13.197 1.00 0.00 C ATOM 92 CG GLU A 7 -8.314 -15.096 -12.936 1.00 0.00 C ATOM 93 CD GLU A 7 -8.091 -15.874 -14.235 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.969 -15.883 -14.711 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.048 -16.446 -14.731 1.00 0.00 O ATOM 0 H GLU A 7 -10.333 -12.672 -13.059 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.498 -13.429 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.737 -13.289 -14.043 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.088 -13.396 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.613 -15.434 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.317 -15.285 -12.554 1.00 0.00 H new ATOM 102 N GLN A 8 -7.620 -10.621 -12.497 1.00 0.00 N ATOM 103 CA GLN A 8 -6.690 -9.470 -12.314 1.00 0.00 C ATOM 104 C GLN A 8 -6.774 -8.950 -10.877 1.00 0.00 C ATOM 105 O GLN A 8 -5.833 -9.048 -10.115 1.00 0.00 O ATOM 106 CB GLN A 8 -7.174 -8.406 -13.299 1.00 0.00 C ATOM 107 CG GLN A 8 -5.971 -7.770 -13.996 1.00 0.00 C ATOM 108 CD GLN A 8 -6.166 -7.833 -15.512 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.408 -6.826 -16.148 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.070 -8.982 -16.123 1.00 0.00 N ATOM 0 H GLN A 8 -8.294 -10.519 -13.256 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.651 -9.746 -12.493 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.840 -8.854 -14.037 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.748 -7.643 -12.773 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.858 -6.734 -13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.057 -8.292 -13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.867 -9.828 -15.590 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.198 -9.034 -17.134 1.00 0.00 H new ATOM 119 N ILE A 9 -7.896 -8.400 -10.500 1.00 0.00 N ATOM 120 CA ILE A 9 -8.040 -7.878 -9.110 1.00 0.00 C ATOM 121 C ILE A 9 -7.538 -8.918 -8.107 1.00 0.00 C ATOM 122 O ILE A 9 -6.957 -8.589 -7.091 1.00 0.00 O ATOM 123 CB ILE A 9 -9.538 -7.638 -8.930 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.004 -6.567 -9.919 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.811 -7.165 -7.501 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.496 -6.297 -9.713 1.00 0.00 C ATOM 0 H ILE A 9 -8.718 -8.289 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.461 -6.969 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.080 -8.566 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.434 -5.649 -9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.821 -6.897 -10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.880 -6.994 -7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.478 -7.927 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.270 -6.237 -7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.828 -5.534 -10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.059 -7.215 -9.881 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.665 -5.949 -8.694 1.00 0.00 H new ATOM 138 N ALA A 10 -7.756 -10.174 -8.386 1.00 0.00 N ATOM 139 CA ALA A 10 -7.291 -11.239 -7.452 1.00 0.00 C ATOM 140 C ALA A 10 -5.763 -11.231 -7.362 1.00 0.00 C ATOM 141 O ALA A 10 -5.194 -11.146 -6.291 1.00 0.00 O ATOM 142 CB ALA A 10 -7.786 -12.548 -8.068 1.00 0.00 C ATOM 0 H ALA A 10 -8.236 -10.509 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.669 -11.097 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.483 -13.384 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.873 -12.526 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.355 -12.668 -9.062 1.00 0.00 H new ATOM 148 N GLU A 11 -5.094 -11.318 -8.479 1.00 0.00 N ATOM 149 CA GLU A 11 -3.603 -11.314 -8.457 1.00 0.00 C ATOM 150 C GLU A 11 -3.089 -10.063 -7.741 1.00 0.00 C ATOM 151 O GLU A 11 -2.053 -10.081 -7.105 1.00 0.00 O ATOM 152 CB GLU A 11 -3.185 -11.301 -9.927 1.00 0.00 C ATOM 153 CG GLU A 11 -3.053 -12.739 -10.434 1.00 0.00 C ATOM 154 CD GLU A 11 -1.652 -13.265 -10.121 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.709 -12.503 -10.261 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.544 -14.421 -9.746 1.00 0.00 O ATOM 0 H GLU A 11 -5.515 -11.392 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.195 -12.174 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.923 -10.761 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.237 -10.775 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.804 -13.372 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.235 -12.775 -11.508 1.00 0.00 H new ATOM 163 N PHE A 12 -3.805 -8.977 -7.836 1.00 0.00 N ATOM 164 CA PHE A 12 -3.357 -7.727 -7.158 1.00 0.00 C ATOM 165 C PHE A 12 -3.437 -7.898 -5.639 1.00 0.00 C ATOM 166 O PHE A 12 -2.537 -7.522 -4.914 1.00 0.00 O ATOM 167 CB PHE A 12 -4.332 -6.646 -7.629 1.00 0.00 C ATOM 168 CG PHE A 12 -3.936 -6.173 -9.008 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.783 -7.097 -10.050 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.723 -4.810 -9.245 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.418 -6.656 -11.328 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.359 -4.369 -10.523 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.206 -5.292 -11.564 1.00 0.00 C ATOM 0 H PHE A 12 -4.681 -8.900 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.324 -7.473 -7.398 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.348 -7.041 -7.647 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.328 -5.809 -6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.946 -8.149 -9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.840 -4.098 -8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.300 -7.368 -12.132 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.196 -3.317 -10.705 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.924 -4.952 -12.550 1.00 0.00 H new ATOM 183 N LYS A 13 -4.507 -8.465 -5.153 1.00 0.00 N ATOM 184 CA LYS A 13 -4.640 -8.663 -3.682 1.00 0.00 C ATOM 185 C LYS A 13 -3.463 -9.486 -3.156 1.00 0.00 C ATOM 186 O LYS A 13 -2.792 -9.100 -2.219 1.00 0.00 O ATOM 187 CB LYS A 13 -5.953 -9.428 -3.501 1.00 0.00 C ATOM 188 CG LYS A 13 -6.418 -9.311 -2.048 1.00 0.00 C ATOM 189 CD LYS A 13 -7.940 -9.162 -2.009 1.00 0.00 C ATOM 190 CE LYS A 13 -8.323 -8.087 -0.990 1.00 0.00 C ATOM 191 NZ LYS A 13 -9.760 -7.800 -1.256 1.00 0.00 N ATOM 0 H LYS A 13 -5.294 -8.799 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.641 -7.720 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.714 -9.028 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.815 -10.476 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.114 -10.194 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.946 -8.452 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.315 -8.892 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.402 -10.112 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.173 -8.439 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.713 -7.192 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.096 -7.071 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.871 -7.460 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.317 -8.668 -1.126 1.00 0.00 H new ATOM 205 N GLU A 14 -3.202 -10.616 -3.754 1.00 0.00 N ATOM 206 CA GLU A 14 -2.064 -11.458 -3.290 1.00 0.00 C ATOM 207 C GLU A 14 -0.782 -10.622 -3.243 1.00 0.00 C ATOM 208 O GLU A 14 -0.012 -10.700 -2.308 1.00 0.00 O ATOM 209 CB GLU A 14 -1.941 -12.571 -4.332 1.00 0.00 C ATOM 210 CG GLU A 14 -2.876 -13.723 -3.960 1.00 0.00 C ATOM 211 CD GLU A 14 -2.481 -14.975 -4.746 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.809 -15.044 -5.918 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.855 -15.844 -4.160 1.00 0.00 O ATOM 0 H GLU A 14 -3.727 -10.992 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.224 -11.857 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.194 -12.188 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.911 -12.925 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.820 -13.920 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.909 -13.453 -4.181 1.00 0.00 H new ATOM 220 N ALA A 15 -0.552 -9.819 -4.246 1.00 0.00 N ATOM 221 CA ALA A 15 0.675 -8.974 -4.258 1.00 0.00 C ATOM 222 C ALA A 15 0.630 -7.962 -3.110 1.00 0.00 C ATOM 223 O ALA A 15 1.364 -8.065 -2.148 1.00 0.00 O ATOM 224 CB ALA A 15 0.648 -8.255 -5.608 1.00 0.00 C ATOM 0 H ALA A 15 -1.161 -9.712 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 15 1.583 -9.562 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.523 -7.610 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.659 -8.991 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.257 -7.651 -5.681 1.00 0.00 H new ATOM 230 N PHE A 16 -0.231 -6.985 -3.204 1.00 0.00 N ATOM 231 CA PHE A 16 -0.331 -5.967 -2.120 1.00 0.00 C ATOM 232 C PHE A 16 -0.243 -6.639 -0.746 1.00 0.00 C ATOM 233 O PHE A 16 0.534 -6.247 0.100 1.00 0.00 O ATOM 234 CB PHE A 16 -1.703 -5.323 -2.314 1.00 0.00 C ATOM 235 CG PHE A 16 -1.868 -4.175 -1.348 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.412 -2.898 -1.694 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.479 -4.388 -0.107 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.566 -1.833 -0.798 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.634 -3.324 0.789 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.177 -2.047 0.444 1.00 0.00 C ATOM 0 H PHE A 16 -0.871 -6.848 -3.987 1.00 0.00 H new ATOM 0 HA PHE A 16 0.476 -5.236 -2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.806 -4.966 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.488 -6.062 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.941 -2.734 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.831 -5.374 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.214 -0.847 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.106 -3.488 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.296 -1.226 1.136 1.00 0.00 H new ATOM 250 N ALA A 17 -1.038 -7.649 -0.518 1.00 0.00 N ATOM 251 CA ALA A 17 -1.003 -8.345 0.800 1.00 0.00 C ATOM 252 C ALA A 17 0.333 -9.071 0.988 1.00 0.00 C ATOM 253 O ALA A 17 0.795 -9.261 2.095 1.00 0.00 O ATOM 254 CB ALA A 17 -2.155 -9.349 0.748 1.00 0.00 C ATOM 0 H ALA A 17 -1.711 -8.022 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.103 -7.650 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.197 -9.904 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.095 -8.817 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.996 -10.043 -0.077 1.00 0.00 H new ATOM 260 N LEU A 18 0.954 -9.481 -0.084 1.00 0.00 N ATOM 261 CA LEU A 18 2.257 -10.197 0.041 1.00 0.00 C ATOM 262 C LEU A 18 3.248 -9.361 0.858 1.00 0.00 C ATOM 263 O LEU A 18 4.156 -9.885 1.472 1.00 0.00 O ATOM 264 CB LEU A 18 2.757 -10.370 -1.393 1.00 0.00 C ATOM 265 CG LEU A 18 3.119 -11.835 -1.636 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.128 -12.118 -3.139 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.507 -12.119 -1.056 1.00 0.00 C ATOM 0 H LEU A 18 0.618 -9.352 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 18 2.152 -11.153 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.988 -10.053 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.627 -9.736 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 18 2.383 -12.476 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.386 -13.163 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.140 -11.915 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.864 -11.478 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.767 -13.163 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.242 -11.477 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.502 -11.919 0.015 1.00 0.00 H new ATOM 279 N PHE A 19 3.079 -8.066 0.872 1.00 0.00 N ATOM 280 CA PHE A 19 4.015 -7.204 1.652 1.00 0.00 C ATOM 281 C PHE A 19 3.258 -6.474 2.765 1.00 0.00 C ATOM 282 O PHE A 19 3.739 -5.510 3.326 1.00 0.00 O ATOM 283 CB PHE A 19 4.575 -6.204 0.640 1.00 0.00 C ATOM 284 CG PHE A 19 4.986 -6.932 -0.617 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.029 -7.240 -1.591 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.323 -7.298 -0.810 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.409 -7.913 -2.758 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.704 -7.973 -1.977 1.00 0.00 C ATOM 289 CZ PHE A 19 5.746 -8.280 -2.951 1.00 0.00 C ATOM 0 H PHE A 19 2.337 -7.569 0.380 1.00 0.00 H new ATOM 0 HA PHE A 19 4.805 -7.783 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.824 -5.449 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.431 -5.681 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.997 -6.958 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.062 -7.060 -0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.670 -8.149 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.736 -8.256 -2.125 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.039 -8.800 -3.851 1.00 0.00 H new ATOM 299 N ASP A 20 2.077 -6.926 3.089 1.00 0.00 N ATOM 300 CA ASP A 20 1.292 -6.255 4.166 1.00 0.00 C ATOM 301 C ASP A 20 1.876 -6.602 5.538 1.00 0.00 C ATOM 302 O ASP A 20 1.395 -7.482 6.223 1.00 0.00 O ATOM 303 CB ASP A 20 -0.125 -6.811 4.029 1.00 0.00 C ATOM 304 CG ASP A 20 -0.114 -8.314 4.309 1.00 0.00 C ATOM 305 OD1 ASP A 20 0.967 -8.873 4.396 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.187 -8.882 4.432 1.00 0.00 O ATOM 0 H ASP A 20 1.622 -7.729 2.656 1.00 0.00 H new ATOM 0 HA ASP A 20 1.312 -5.169 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.794 -6.306 4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.506 -6.620 3.026 1.00 0.00 H new ATOM 311 N LYS A 21 2.909 -5.915 5.945 1.00 0.00 N ATOM 312 CA LYS A 21 3.522 -6.205 7.272 1.00 0.00 C ATOM 313 C LYS A 21 2.432 -6.342 8.339 1.00 0.00 C ATOM 314 O LYS A 21 2.279 -7.378 8.954 1.00 0.00 O ATOM 315 CB LYS A 21 4.415 -5.000 7.568 1.00 0.00 C ATOM 316 CG LYS A 21 5.138 -5.215 8.898 1.00 0.00 C ATOM 317 CD LYS A 21 6.651 -5.202 8.666 1.00 0.00 C ATOM 318 CE LYS A 21 7.107 -3.778 8.344 1.00 0.00 C ATOM 319 NZ LYS A 21 7.726 -3.279 9.604 1.00 0.00 N ATOM 0 H LYS A 21 3.355 -5.166 5.416 1.00 0.00 H new ATOM 0 HA LYS A 21 4.085 -7.138 7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.140 -4.866 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.815 -4.091 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.861 -4.433 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.835 -6.165 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.168 -5.569 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.909 -5.872 7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.823 -3.769 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.267 -3.153 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.064 -2.306 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.020 -3.293 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.527 -3.890 9.863 1.00 0.00 H new ATOM 333 N ASP A 22 1.675 -5.303 8.564 1.00 0.00 N ATOM 334 CA ASP A 22 0.597 -5.374 9.591 1.00 0.00 C ATOM 335 C ASP A 22 -0.404 -6.476 9.232 1.00 0.00 C ATOM 336 O ASP A 22 -1.126 -6.969 10.076 1.00 0.00 O ATOM 337 CB ASP A 22 -0.079 -4.002 9.551 1.00 0.00 C ATOM 338 CG ASP A 22 -0.663 -3.681 10.928 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.069 -3.162 11.754 1.00 0.00 O ATOM 340 OD2 ASP A 22 -1.834 -3.958 11.133 1.00 0.00 O ATOM 0 H ASP A 22 1.756 -4.408 8.081 1.00 0.00 H new ATOM 0 HA ASP A 22 0.986 -5.609 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.643 -3.237 9.263 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.868 -3.995 8.799 1.00 0.00 H new ATOM 345 N ASN A 23 -0.451 -6.866 7.988 1.00 0.00 N ATOM 346 CA ASN A 23 -1.405 -7.936 7.578 1.00 0.00 C ATOM 347 C ASN A 23 -2.847 -7.451 7.745 1.00 0.00 C ATOM 348 O ASN A 23 -3.774 -8.235 7.795 1.00 0.00 O ATOM 349 CB ASN A 23 -1.119 -9.106 8.522 1.00 0.00 C ATOM 350 CG ASN A 23 -1.125 -10.414 7.730 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.237 -11.230 7.877 1.00 0.00 O ATOM 352 ND2 ASN A 23 -2.096 -10.650 6.891 1.00 0.00 N ATOM 0 H ASN A 23 0.129 -6.491 7.238 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.284 -8.218 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.153 -8.967 9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.870 -9.143 9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.110 -11.520 6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.841 -9.965 6.768 1.00 0.00 H new ATOM 359 N ASN A 24 -3.044 -6.164 7.831 1.00 0.00 N ATOM 360 CA ASN A 24 -4.426 -5.630 7.996 1.00 0.00 C ATOM 361 C ASN A 24 -4.993 -5.204 6.639 1.00 0.00 C ATOM 362 O ASN A 24 -6.160 -4.888 6.515 1.00 0.00 O ATOM 363 CB ASN A 24 -4.276 -4.419 8.919 1.00 0.00 C ATOM 364 CG ASN A 24 -3.251 -3.451 8.326 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.872 -3.575 7.179 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.784 -2.482 9.066 1.00 0.00 N ATOM 0 H ASN A 24 -2.308 -5.459 7.794 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.110 -6.373 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.237 -3.919 9.040 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.957 -4.741 9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.101 -1.830 8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.102 -2.377 10.029 1.00 0.00 H new ATOM 373 N GLY A 25 -4.176 -5.192 5.622 1.00 0.00 N ATOM 374 CA GLY A 25 -4.668 -4.786 4.274 1.00 0.00 C ATOM 375 C GLY A 25 -4.053 -3.440 3.890 1.00 0.00 C ATOM 376 O GLY A 25 -4.570 -2.727 3.053 1.00 0.00 O ATOM 0 H GLY A 25 -3.189 -5.446 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.403 -5.543 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.756 -4.713 4.279 1.00 0.00 H new ATOM 380 N SER A 26 -2.952 -3.086 4.494 1.00 0.00 N ATOM 381 CA SER A 26 -2.303 -1.785 4.161 1.00 0.00 C ATOM 382 C SER A 26 -0.788 -1.964 4.048 1.00 0.00 C ATOM 383 O SER A 26 -0.186 -2.726 4.779 1.00 0.00 O ATOM 384 CB SER A 26 -2.649 -0.862 5.328 1.00 0.00 C ATOM 385 OG SER A 26 -2.176 -1.437 6.539 1.00 0.00 O ATOM 0 H SER A 26 -2.473 -3.641 5.204 1.00 0.00 H new ATOM 0 HA SER A 26 -2.646 -1.383 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.198 0.119 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.727 -0.712 5.380 1.00 0.00 H new ATOM 0 HG SER A 26 -2.447 -2.378 6.582 1.00 0.00 H new ATOM 391 N ILE A 27 -0.165 -1.268 3.136 1.00 0.00 N ATOM 392 CA ILE A 27 1.312 -1.400 2.978 1.00 0.00 C ATOM 393 C ILE A 27 1.956 -0.018 2.843 1.00 0.00 C ATOM 394 O ILE A 27 1.334 0.926 2.395 1.00 0.00 O ATOM 395 CB ILE A 27 1.501 -2.208 1.691 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.202 -1.319 0.481 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.546 -3.403 1.695 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.438 -2.110 -0.807 1.00 0.00 C ATOM 0 H ILE A 27 -0.614 -0.615 2.494 1.00 0.00 H new ATOM 0 HA ILE A 27 1.778 -1.884 3.837 1.00 0.00 H new ATOM 0 HB ILE A 27 2.529 -2.565 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.171 -0.968 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.840 -0.436 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.680 -3.979 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.759 -4.036 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.482 -3.047 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.225 -1.476 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.476 -2.439 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.781 -2.980 -0.825 1.00 0.00 H new ATOM 410 N SER A 28 3.199 0.108 3.220 1.00 0.00 N ATOM 411 CA SER A 28 3.880 1.429 3.106 1.00 0.00 C ATOM 412 C SER A 28 4.262 1.694 1.647 1.00 0.00 C ATOM 413 O SER A 28 4.480 0.780 0.879 1.00 0.00 O ATOM 414 CB SER A 28 5.130 1.306 3.976 1.00 0.00 C ATOM 415 OG SER A 28 5.005 2.167 5.100 1.00 0.00 O ATOM 0 H SER A 28 3.772 -0.645 3.601 1.00 0.00 H new ATOM 0 HA SER A 28 3.244 2.255 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.258 0.275 4.305 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.016 1.569 3.399 1.00 0.00 H new ATOM 0 HG SER A 28 5.804 2.090 5.662 1.00 0.00 H new ATOM 421 N SER A 29 4.343 2.938 1.260 1.00 0.00 N ATOM 422 CA SER A 29 4.710 3.253 -0.150 1.00 0.00 C ATOM 423 C SER A 29 5.870 2.363 -0.605 1.00 0.00 C ATOM 424 O SER A 29 5.782 1.674 -1.602 1.00 0.00 O ATOM 425 CB SER A 29 5.134 4.720 -0.130 1.00 0.00 C ATOM 426 OG SER A 29 6.553 4.799 -0.100 1.00 0.00 O ATOM 0 H SER A 29 4.172 3.747 1.857 1.00 0.00 H new ATOM 0 HA SER A 29 3.886 3.077 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.748 5.234 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.712 5.220 0.742 1.00 0.00 H new ATOM 0 HG SER A 29 6.828 5.740 -0.089 1.00 0.00 H new ATOM 432 N SER A 30 6.956 2.371 0.119 1.00 0.00 N ATOM 433 CA SER A 30 8.117 1.522 -0.274 1.00 0.00 C ATOM 434 C SER A 30 7.638 0.119 -0.654 1.00 0.00 C ATOM 435 O SER A 30 8.202 -0.529 -1.514 1.00 0.00 O ATOM 436 CB SER A 30 9.006 1.468 0.968 1.00 0.00 C ATOM 437 OG SER A 30 10.206 0.772 0.656 1.00 0.00 O ATOM 0 H SER A 30 7.090 2.927 0.964 1.00 0.00 H new ATOM 0 HA SER A 30 8.649 1.921 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.236 2.477 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.483 0.967 1.783 1.00 0.00 H new ATOM 0 HG SER A 30 10.780 0.737 1.450 1.00 0.00 H new ATOM 443 N GLU A 31 6.600 -0.355 -0.021 1.00 0.00 N ATOM 444 CA GLU A 31 6.084 -1.715 -0.346 1.00 0.00 C ATOM 445 C GLU A 31 5.253 -1.671 -1.632 1.00 0.00 C ATOM 446 O GLU A 31 5.260 -2.598 -2.418 1.00 0.00 O ATOM 447 CB GLU A 31 5.206 -2.100 0.846 1.00 0.00 C ATOM 448 CG GLU A 31 5.987 -1.888 2.144 1.00 0.00 C ATOM 449 CD GLU A 31 6.345 -3.244 2.754 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.165 -3.935 2.172 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.793 -3.569 3.793 1.00 0.00 O ATOM 0 H GLU A 31 6.087 0.141 0.708 1.00 0.00 H new ATOM 0 HA GLU A 31 6.887 -2.434 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.298 -1.497 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.896 -3.142 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.894 -1.316 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.391 -1.307 2.848 1.00 0.00 H new ATOM 458 N LEU A 32 4.537 -0.602 -1.853 1.00 0.00 N ATOM 459 CA LEU A 32 3.710 -0.503 -3.089 1.00 0.00 C ATOM 460 C LEU A 32 4.591 -0.693 -4.326 1.00 0.00 C ATOM 461 O LEU A 32 4.328 -1.533 -5.164 1.00 0.00 O ATOM 462 CB LEU A 32 3.116 0.906 -3.061 1.00 0.00 C ATOM 463 CG LEU A 32 2.364 1.167 -4.367 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.260 0.123 -4.538 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.740 2.565 -4.323 1.00 0.00 C ATOM 0 H LEU A 32 4.489 0.206 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 32 2.934 -1.267 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.440 1.011 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.908 1.644 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 32 3.058 1.102 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.724 0.309 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.702 -0.873 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.565 0.187 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.203 2.753 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.046 2.628 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.526 3.310 -4.200 1.00 0.00 H new ATOM 477 N ALA A 33 5.637 0.078 -4.448 1.00 0.00 N ATOM 478 CA ALA A 33 6.531 -0.069 -5.630 1.00 0.00 C ATOM 479 C ALA A 33 6.795 -1.553 -5.897 1.00 0.00 C ATOM 480 O ALA A 33 6.856 -1.989 -7.029 1.00 0.00 O ATOM 481 CB ALA A 33 7.825 0.648 -5.245 1.00 0.00 C ATOM 0 H ALA A 33 5.910 0.801 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 33 6.095 0.349 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.536 0.583 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.611 1.695 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.252 0.178 -4.359 1.00 0.00 H new ATOM 487 N THR A 34 6.945 -2.332 -4.861 1.00 0.00 N ATOM 488 CA THR A 34 7.194 -3.787 -5.058 1.00 0.00 C ATOM 489 C THR A 34 5.964 -4.441 -5.690 1.00 0.00 C ATOM 490 O THR A 34 5.982 -4.841 -6.836 1.00 0.00 O ATOM 491 CB THR A 34 7.439 -4.348 -3.658 1.00 0.00 C ATOM 492 OG1 THR A 34 8.626 -3.780 -3.123 1.00 0.00 O ATOM 493 CG2 THR A 34 7.588 -5.867 -3.742 1.00 0.00 C ATOM 0 H THR A 34 6.906 -2.024 -3.889 1.00 0.00 H new ATOM 0 HA THR A 34 8.039 -3.977 -5.720 1.00 0.00 H new ATOM 0 HB THR A 34 6.598 -4.101 -3.011 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.784 -4.138 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.763 -6.271 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.676 -6.300 -4.154 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.431 -6.115 -4.387 1.00 0.00 H new ATOM 501 N VAL A 35 4.890 -4.544 -4.952 1.00 0.00 N ATOM 502 CA VAL A 35 3.659 -5.162 -5.522 1.00 0.00 C ATOM 503 C VAL A 35 3.421 -4.618 -6.933 1.00 0.00 C ATOM 504 O VAL A 35 2.898 -5.294 -7.797 1.00 0.00 O ATOM 505 CB VAL A 35 2.526 -4.735 -4.586 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.753 -5.337 -3.200 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.500 -3.209 -4.478 1.00 0.00 C ATOM 0 H VAL A 35 4.813 -4.229 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 35 3.731 -6.247 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 35 1.575 -5.089 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.946 -5.032 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.771 -6.424 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.704 -4.984 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.693 -2.905 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.452 -2.856 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.337 -2.777 -5.465 1.00 0.00 H new ATOM 517 N MET A 36 3.808 -3.393 -7.164 1.00 0.00 N ATOM 518 CA MET A 36 3.615 -2.783 -8.510 1.00 0.00 C ATOM 519 C MET A 36 4.371 -3.583 -9.574 1.00 0.00 C ATOM 520 O MET A 36 3.786 -4.097 -10.507 1.00 0.00 O ATOM 521 CB MET A 36 4.192 -1.372 -8.384 1.00 0.00 C ATOM 522 CG MET A 36 3.305 -0.386 -9.147 1.00 0.00 C ATOM 523 SD MET A 36 2.264 0.519 -7.975 1.00 0.00 S ATOM 524 CE MET A 36 1.184 1.310 -9.194 1.00 0.00 C ATOM 0 H MET A 36 4.252 -2.786 -6.475 1.00 0.00 H new ATOM 0 HA MET A 36 2.568 -2.773 -8.814 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.253 -1.085 -7.334 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.207 -1.346 -8.781 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.922 0.310 -9.715 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.683 -0.920 -9.865 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.300 1.707 -8.694 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.721 2.123 -9.682 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.880 0.577 -9.941 1.00 0.00 H new ATOM 534 N ARG A 37 5.665 -3.692 -9.445 1.00 0.00 N ATOM 535 CA ARG A 37 6.453 -4.457 -10.456 1.00 0.00 C ATOM 536 C ARG A 37 6.172 -5.959 -10.328 1.00 0.00 C ATOM 537 O ARG A 37 6.394 -6.721 -11.248 1.00 0.00 O ATOM 538 CB ARG A 37 7.916 -4.156 -10.128 1.00 0.00 C ATOM 539 CG ARG A 37 8.636 -3.683 -11.391 1.00 0.00 C ATOM 540 CD ARG A 37 9.031 -4.895 -12.238 1.00 0.00 C ATOM 541 NE ARG A 37 10.180 -5.509 -11.517 1.00 0.00 N ATOM 542 CZ ARG A 37 10.676 -6.644 -11.927 1.00 0.00 C ATOM 543 NH1 ARG A 37 9.976 -7.417 -12.712 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.873 -7.007 -11.552 1.00 0.00 N ATOM 0 H ARG A 37 6.211 -3.286 -8.685 1.00 0.00 H new ATOM 0 HA ARG A 37 6.196 -4.174 -11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.976 -3.391 -9.354 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.402 -5.048 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.988 -3.020 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.523 -3.109 -11.123 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.203 -5.598 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.312 -4.596 -13.248 1.00 0.00 H new ATOM 0 HE ARG A 37 10.579 -5.042 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.041 -7.134 -13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.364 -8.304 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.420 -6.403 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.261 -7.894 -11.873 1.00 0.00 H new ATOM 558 N SER A 38 5.692 -6.388 -9.193 1.00 0.00 N ATOM 559 CA SER A 38 5.405 -7.840 -9.005 1.00 0.00 C ATOM 560 C SER A 38 4.221 -8.273 -9.875 1.00 0.00 C ATOM 561 O SER A 38 4.152 -9.400 -10.325 1.00 0.00 O ATOM 562 CB SER A 38 5.060 -7.985 -7.523 1.00 0.00 C ATOM 563 OG SER A 38 6.222 -8.382 -6.808 1.00 0.00 O ATOM 0 H SER A 38 5.486 -5.797 -8.388 1.00 0.00 H new ATOM 0 HA SER A 38 6.250 -8.464 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.683 -7.040 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.269 -8.723 -7.392 1.00 0.00 H new ATOM 0 HG SER A 38 6.005 -8.474 -5.857 1.00 0.00 H new ATOM 569 N LEU A 39 3.289 -7.393 -10.114 1.00 0.00 N ATOM 570 CA LEU A 39 2.114 -7.770 -10.954 1.00 0.00 C ATOM 571 C LEU A 39 2.560 -8.047 -12.393 1.00 0.00 C ATOM 572 O LEU A 39 1.979 -8.856 -13.088 1.00 0.00 O ATOM 573 CB LEU A 39 1.175 -6.563 -10.907 1.00 0.00 C ATOM 574 CG LEU A 39 0.309 -6.628 -9.647 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.750 -5.526 -9.700 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.387 -7.989 -9.571 1.00 0.00 C ATOM 0 H LEU A 39 3.288 -6.434 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 39 1.626 -8.674 -10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.754 -5.640 -10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.542 -6.549 -11.794 1.00 0.00 H new ATOM 0 HG LEU A 39 0.940 -6.491 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.368 -5.571 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.261 -4.554 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.378 -5.667 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.003 -8.033 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.017 -8.125 -10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.363 -8.780 -9.536 1.00 0.00 H new ATOM 588 N GLY A 40 3.589 -7.383 -12.845 1.00 0.00 N ATOM 589 CA GLY A 40 4.069 -7.613 -14.238 1.00 0.00 C ATOM 590 C GLY A 40 4.202 -6.273 -14.963 1.00 0.00 C ATOM 591 O GLY A 40 3.954 -6.171 -16.149 1.00 0.00 O ATOM 0 H GLY A 40 4.117 -6.693 -12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.031 -8.126 -14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.372 -8.259 -14.772 1.00 0.00 H new ATOM 595 N LEU A 41 4.595 -5.244 -14.264 1.00 0.00 N ATOM 596 CA LEU A 41 4.746 -3.911 -14.919 1.00 0.00 C ATOM 597 C LEU A 41 6.062 -3.258 -14.491 1.00 0.00 C ATOM 598 O LEU A 41 6.797 -3.790 -13.684 1.00 0.00 O ATOM 599 CB LEU A 41 3.553 -3.088 -14.427 1.00 0.00 C ATOM 600 CG LEU A 41 3.391 -3.271 -12.918 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.194 -1.905 -12.257 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.171 -4.151 -12.641 1.00 0.00 C ATOM 0 H LEU A 41 4.818 -5.267 -13.269 1.00 0.00 H new ATOM 0 HA LEU A 41 4.768 -3.986 -16.006 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.704 -2.034 -14.662 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.645 -3.402 -14.941 1.00 0.00 H new ATOM 0 HG LEU A 41 4.283 -3.746 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.078 -2.035 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.062 -1.276 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.301 -1.430 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.054 -4.283 -11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.279 -3.675 -13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.310 -5.124 -13.113 1.00 0.00 H new ATOM 614 N SER A 42 6.365 -2.108 -15.028 1.00 0.00 N ATOM 615 CA SER A 42 7.634 -1.420 -14.654 1.00 0.00 C ATOM 616 C SER A 42 7.622 0.025 -15.159 1.00 0.00 C ATOM 617 O SER A 42 8.100 0.311 -16.238 1.00 0.00 O ATOM 618 CB SER A 42 8.736 -2.221 -15.346 1.00 0.00 C ATOM 619 OG SER A 42 8.641 -2.032 -16.752 1.00 0.00 O ATOM 0 H SER A 42 5.789 -1.615 -15.710 1.00 0.00 H new ATOM 0 HA SER A 42 7.778 -1.377 -13.574 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.714 -1.899 -14.989 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.640 -3.279 -15.102 1.00 0.00 H new ATOM 0 HG SER A 42 8.649 -1.073 -16.954 1.00 0.00 H new ATOM 625 N PRO A 43 7.072 0.890 -14.352 1.00 0.00 N ATOM 626 CA PRO A 43 6.992 2.327 -14.712 1.00 0.00 C ATOM 627 C PRO A 43 8.378 2.977 -14.630 1.00 0.00 C ATOM 628 O PRO A 43 9.391 2.308 -14.675 1.00 0.00 O ATOM 629 CB PRO A 43 6.054 2.909 -13.659 1.00 0.00 C ATOM 630 CG PRO A 43 6.164 1.983 -12.490 1.00 0.00 C ATOM 631 CD PRO A 43 6.479 0.616 -13.039 1.00 0.00 C ATOM 0 HA PRO A 43 6.638 2.495 -15.729 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.346 3.924 -13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.029 2.960 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.947 2.314 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.233 1.966 -11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.171 0.076 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.581 0.004 -13.126 1.00 0.00 H new ATOM 639 N SER A 44 8.430 4.275 -14.512 1.00 0.00 N ATOM 640 CA SER A 44 9.751 4.963 -14.428 1.00 0.00 C ATOM 641 C SER A 44 9.731 6.015 -13.316 1.00 0.00 C ATOM 642 O SER A 44 8.704 6.294 -12.730 1.00 0.00 O ATOM 643 CB SER A 44 9.937 5.627 -15.791 1.00 0.00 C ATOM 644 OG SER A 44 9.121 4.968 -16.750 1.00 0.00 O ATOM 0 H SER A 44 7.617 4.889 -14.470 1.00 0.00 H new ATOM 0 HA SER A 44 10.562 4.273 -14.196 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.670 6.682 -15.734 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.983 5.578 -16.092 1.00 0.00 H new ATOM 0 HG SER A 44 9.237 5.393 -17.625 1.00 0.00 H new ATOM 650 N GLU A 45 10.860 6.601 -13.021 1.00 0.00 N ATOM 651 CA GLU A 45 10.905 7.634 -11.947 1.00 0.00 C ATOM 652 C GLU A 45 9.738 8.613 -12.106 1.00 0.00 C ATOM 653 O GLU A 45 8.884 8.719 -11.249 1.00 0.00 O ATOM 654 CB GLU A 45 12.239 8.353 -12.145 1.00 0.00 C ATOM 655 CG GLU A 45 13.017 8.359 -10.826 1.00 0.00 C ATOM 656 CD GLU A 45 14.023 7.207 -10.821 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.532 6.886 -11.884 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.269 6.667 -9.756 1.00 0.00 O ATOM 0 H GLU A 45 11.752 6.409 -13.477 1.00 0.00 H new ATOM 0 HA GLU A 45 10.821 7.199 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.821 7.855 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.067 9.375 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.536 9.309 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.330 8.259 -9.986 1.00 0.00 H new ATOM 665 N ALA A 46 9.696 9.328 -13.197 1.00 0.00 N ATOM 666 CA ALA A 46 8.585 10.299 -13.409 1.00 0.00 C ATOM 667 C ALA A 46 7.252 9.671 -12.994 1.00 0.00 C ATOM 668 O ALA A 46 6.503 10.234 -12.220 1.00 0.00 O ATOM 669 CB ALA A 46 8.595 10.591 -14.910 1.00 0.00 C ATOM 0 H ALA A 46 10.382 9.282 -13.950 1.00 0.00 H new ATOM 0 HA ALA A 46 8.709 11.206 -12.817 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.803 11.301 -15.148 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.559 11.015 -15.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.431 9.665 -15.462 1.00 0.00 H new ATOM 675 N GLU A 47 6.951 8.507 -13.501 1.00 0.00 N ATOM 676 CA GLU A 47 5.668 7.843 -13.132 1.00 0.00 C ATOM 677 C GLU A 47 5.586 7.664 -11.614 1.00 0.00 C ATOM 678 O GLU A 47 4.521 7.710 -11.031 1.00 0.00 O ATOM 679 CB GLU A 47 5.711 6.484 -13.831 1.00 0.00 C ATOM 680 CG GLU A 47 4.319 6.138 -14.363 1.00 0.00 C ATOM 681 CD GLU A 47 3.352 5.961 -13.191 1.00 0.00 C ATOM 682 OE1 GLU A 47 3.825 5.728 -12.089 1.00 0.00 O ATOM 683 OE2 GLU A 47 2.157 6.060 -13.412 1.00 0.00 O ATOM 0 H GLU A 47 7.537 7.987 -14.154 1.00 0.00 H new ATOM 0 HA GLU A 47 4.798 8.427 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.429 6.507 -14.650 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.047 5.716 -13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.964 6.929 -15.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.361 5.223 -14.954 1.00 0.00 H new ATOM 690 N VAL A 48 6.703 7.462 -10.971 1.00 0.00 N ATOM 691 CA VAL A 48 6.690 7.280 -9.491 1.00 0.00 C ATOM 692 C VAL A 48 6.449 8.624 -8.797 1.00 0.00 C ATOM 693 O VAL A 48 5.659 8.727 -7.880 1.00 0.00 O ATOM 694 CB VAL A 48 8.078 6.740 -9.144 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.064 6.168 -7.725 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.457 5.636 -10.134 1.00 0.00 C ATOM 0 H VAL A 48 7.624 7.415 -11.406 1.00 0.00 H new ATOM 0 HA VAL A 48 5.898 6.606 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 48 8.807 7.548 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.053 5.783 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.793 6.953 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.335 5.360 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.446 5.250 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.728 4.828 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.467 6.042 -11.145 1.00 0.00 H new ATOM 706 N ASN A 49 7.126 9.653 -9.228 1.00 0.00 N ATOM 707 CA ASN A 49 6.936 10.990 -8.594 1.00 0.00 C ATOM 708 C ASN A 49 5.447 11.343 -8.542 1.00 0.00 C ATOM 709 O ASN A 49 4.940 11.790 -7.531 1.00 0.00 O ATOM 710 CB ASN A 49 7.688 11.968 -9.496 1.00 0.00 C ATOM 711 CG ASN A 49 8.216 13.134 -8.658 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.364 13.141 -8.262 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.420 14.127 -8.371 1.00 0.00 N ATOM 0 H ASN A 49 7.802 9.627 -9.991 1.00 0.00 H new ATOM 0 HA ASN A 49 7.305 11.017 -7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.515 11.459 -9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.026 12.339 -10.279 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.762 14.910 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.456 14.120 -8.704 1.00 0.00 H new ATOM 720 N ASP A 50 4.743 11.147 -9.622 1.00 0.00 N ATOM 721 CA ASP A 50 3.288 11.473 -9.632 1.00 0.00 C ATOM 722 C ASP A 50 2.497 10.390 -8.892 1.00 0.00 C ATOM 723 O ASP A 50 1.533 10.670 -8.209 1.00 0.00 O ATOM 724 CB ASP A 50 2.899 11.504 -11.111 1.00 0.00 C ATOM 725 CG ASP A 50 3.167 12.899 -11.680 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.233 13.431 -11.415 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.303 13.412 -12.371 1.00 0.00 O ATOM 0 H ASP A 50 5.111 10.776 -10.498 1.00 0.00 H new ATOM 0 HA ASP A 50 3.074 12.419 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.470 10.758 -11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.846 11.249 -11.226 1.00 0.00 H new ATOM 732 N LEU A 51 2.899 9.155 -9.025 1.00 0.00 N ATOM 733 CA LEU A 51 2.170 8.056 -8.329 1.00 0.00 C ATOM 734 C LEU A 51 2.196 8.281 -6.814 1.00 0.00 C ATOM 735 O LEU A 51 1.223 8.045 -6.126 1.00 0.00 O ATOM 736 CB LEU A 51 2.932 6.783 -8.695 1.00 0.00 C ATOM 737 CG LEU A 51 2.346 5.597 -7.925 1.00 0.00 C ATOM 738 CD1 LEU A 51 1.055 5.136 -8.603 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.356 4.448 -7.917 1.00 0.00 C ATOM 0 H LEU A 51 3.699 8.860 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 51 1.122 8.003 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.865 6.602 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.989 6.898 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 51 2.129 5.899 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.638 4.291 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.336 5.955 -8.611 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.270 4.833 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.941 3.602 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.571 4.146 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.277 4.776 -7.434 1.00 0.00 H new ATOM 751 N MET A 52 3.302 8.735 -6.291 1.00 0.00 N ATOM 752 CA MET A 52 3.388 8.974 -4.821 1.00 0.00 C ATOM 753 C MET A 52 2.647 10.261 -4.450 1.00 0.00 C ATOM 754 O MET A 52 1.789 10.269 -3.591 1.00 0.00 O ATOM 755 CB MET A 52 4.883 9.114 -4.530 1.00 0.00 C ATOM 756 CG MET A 52 5.465 7.743 -4.180 1.00 0.00 C ATOM 757 SD MET A 52 5.014 7.312 -2.480 1.00 0.00 S ATOM 758 CE MET A 52 3.676 6.163 -2.884 1.00 0.00 C ATOM 0 H MET A 52 4.149 8.951 -6.817 1.00 0.00 H new ATOM 0 HA MET A 52 2.933 8.168 -4.244 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.396 9.528 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.040 9.809 -3.705 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.087 6.989 -4.870 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.550 7.758 -4.287 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.922 6.192 -2.097 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.222 6.452 -3.832 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.076 5.153 -2.966 1.00 0.00 H new ATOM 768 N ASN A 53 2.971 11.351 -5.092 1.00 0.00 N ATOM 769 CA ASN A 53 2.284 12.635 -4.776 1.00 0.00 C ATOM 770 C ASN A 53 0.765 12.444 -4.798 1.00 0.00 C ATOM 771 O ASN A 53 0.028 13.183 -4.176 1.00 0.00 O ATOM 772 CB ASN A 53 2.720 13.600 -5.879 1.00 0.00 C ATOM 773 CG ASN A 53 3.967 14.364 -5.428 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.967 15.578 -5.384 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.037 13.697 -5.088 1.00 0.00 N ATOM 0 H ASN A 53 3.682 11.407 -5.821 1.00 0.00 H new ATOM 0 HA ASN A 53 2.541 13.007 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.930 13.049 -6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.914 14.299 -6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.874 14.195 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.036 12.678 -5.125 1.00 0.00 H new ATOM 782 N GLU A 54 0.293 11.457 -5.510 1.00 0.00 N ATOM 783 CA GLU A 54 -1.178 11.220 -5.572 1.00 0.00 C ATOM 784 C GLU A 54 -1.637 10.424 -4.348 1.00 0.00 C ATOM 785 O GLU A 54 -2.814 10.197 -4.148 1.00 0.00 O ATOM 786 CB GLU A 54 -1.395 10.410 -6.851 1.00 0.00 C ATOM 787 CG GLU A 54 -1.974 11.317 -7.938 1.00 0.00 C ATOM 788 CD GLU A 54 -3.076 10.570 -8.692 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.784 9.521 -9.242 1.00 0.00 O ATOM 790 OE2 GLU A 54 -4.193 11.061 -8.707 1.00 0.00 O ATOM 0 H GLU A 54 0.861 10.805 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.747 12.150 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.451 9.980 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.073 9.579 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.376 12.226 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.188 11.622 -8.629 1.00 0.00 H new ATOM 797 N ILE A 55 -0.718 9.998 -3.526 1.00 0.00 N ATOM 798 CA ILE A 55 -1.104 9.217 -2.316 1.00 0.00 C ATOM 799 C ILE A 55 -0.268 9.661 -1.111 1.00 0.00 C ATOM 800 O ILE A 55 -0.774 9.818 -0.017 1.00 0.00 O ATOM 801 CB ILE A 55 -0.801 7.761 -2.670 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.351 6.845 -1.574 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.712 7.567 -2.784 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.008 5.391 -1.904 1.00 0.00 C ATOM 0 H ILE A 55 0.283 10.157 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.151 9.362 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.271 7.513 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.926 7.120 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.431 6.965 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.928 6.529 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.105 8.219 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.183 7.815 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.400 4.739 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.454 5.120 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.074 5.277 -1.963 1.00 0.00 H new ATOM 816 N ASP A 56 1.006 9.864 -1.303 1.00 0.00 N ATOM 817 CA ASP A 56 1.872 10.298 -0.168 1.00 0.00 C ATOM 818 C ASP A 56 1.361 11.619 0.411 1.00 0.00 C ATOM 819 O ASP A 56 1.148 12.580 -0.302 1.00 0.00 O ATOM 820 CB ASP A 56 3.262 10.481 -0.778 1.00 0.00 C ATOM 821 CG ASP A 56 4.258 10.850 0.323 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.006 10.501 1.464 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.256 11.476 0.005 1.00 0.00 O ATOM 0 H ASP A 56 1.486 9.749 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 56 1.877 9.575 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.576 9.563 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.237 11.262 -1.538 1.00 0.00 H new ATOM 828 N VAL A 57 1.164 11.676 1.700 1.00 0.00 N ATOM 829 CA VAL A 57 0.666 12.936 2.323 1.00 0.00 C ATOM 830 C VAL A 57 1.661 13.433 3.376 1.00 0.00 C ATOM 831 O VAL A 57 1.505 14.501 3.935 1.00 0.00 O ATOM 832 CB VAL A 57 -0.662 12.557 2.977 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.429 11.447 4.004 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.251 13.783 3.679 1.00 0.00 C ATOM 0 H VAL A 57 1.326 10.905 2.348 1.00 0.00 H new ATOM 0 HA VAL A 57 0.546 13.738 1.595 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.355 12.205 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.377 11.178 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.008 10.573 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.264 11.798 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.199 13.515 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.557 14.134 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.418 14.575 2.949 1.00 0.00 H new ATOM 844 N ASP A 58 2.681 12.668 3.650 1.00 0.00 N ATOM 845 CA ASP A 58 3.684 13.098 4.667 1.00 0.00 C ATOM 846 C ASP A 58 4.839 12.095 4.729 1.00 0.00 C ATOM 847 O ASP A 58 4.831 11.171 5.519 1.00 0.00 O ATOM 848 CB ASP A 58 2.921 13.120 5.991 1.00 0.00 C ATOM 849 CG ASP A 58 3.775 13.801 7.063 1.00 0.00 C ATOM 850 OD1 ASP A 58 4.655 14.563 6.695 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.536 13.549 8.232 1.00 0.00 O ATOM 0 H ASP A 58 2.864 11.764 3.215 1.00 0.00 H new ATOM 0 HA ASP A 58 4.120 14.069 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.978 13.653 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.676 12.103 6.298 1.00 0.00 H new ATOM 856 N GLY A 59 5.833 12.268 3.901 1.00 0.00 N ATOM 857 CA GLY A 59 6.987 11.324 3.914 1.00 0.00 C ATOM 858 C GLY A 59 6.479 9.892 3.742 1.00 0.00 C ATOM 859 O GLY A 59 6.379 9.386 2.643 1.00 0.00 O ATOM 0 H GLY A 59 5.896 13.022 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.683 11.573 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.535 11.416 4.852 1.00 0.00 H new ATOM 863 N ASN A 60 6.155 9.234 4.823 1.00 0.00 N ATOM 864 CA ASN A 60 5.653 7.833 4.720 1.00 0.00 C ATOM 865 C ASN A 60 4.141 7.795 4.957 1.00 0.00 C ATOM 866 O ASN A 60 3.527 8.794 5.274 1.00 0.00 O ATOM 867 CB ASN A 60 6.388 7.067 5.821 1.00 0.00 C ATOM 868 CG ASN A 60 6.806 5.693 5.295 1.00 0.00 C ATOM 869 OD1 ASN A 60 6.268 5.215 4.316 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.750 5.032 5.908 1.00 0.00 N ATOM 0 H ASN A 60 6.216 9.605 5.771 1.00 0.00 H new ATOM 0 HA ASN A 60 5.831 7.401 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.266 7.627 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.743 6.954 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.036 4.115 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.202 5.433 6.730 1.00 0.00 H new ATOM 877 N HIS A 61 3.536 6.648 4.807 1.00 0.00 N ATOM 878 CA HIS A 61 2.064 6.547 5.025 1.00 0.00 C ATOM 879 C HIS A 61 1.602 5.097 4.853 1.00 0.00 C ATOM 880 O HIS A 61 2.353 4.243 4.425 1.00 0.00 O ATOM 881 CB HIS A 61 1.443 7.440 3.951 1.00 0.00 C ATOM 882 CG HIS A 61 1.583 6.782 2.605 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.468 5.739 2.382 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.957 7.007 1.404 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.351 5.379 1.089 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.443 6.121 0.448 1.00 0.00 N ATOM 0 H HIS A 61 3.997 5.777 4.543 1.00 0.00 H new ATOM 0 HA HIS A 61 1.772 6.855 6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.391 7.616 4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.934 8.413 3.944 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.093 5.321 3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.201 7.758 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.922 4.587 0.627 1.00 0.00 H new ATOM 894 N GLN A 62 0.372 4.814 5.184 1.00 0.00 N ATOM 895 CA GLN A 62 -0.137 3.421 5.038 1.00 0.00 C ATOM 896 C GLN A 62 -1.046 3.314 3.811 1.00 0.00 C ATOM 897 O GLN A 62 -2.154 3.811 3.803 1.00 0.00 O ATOM 898 CB GLN A 62 -0.930 3.153 6.318 1.00 0.00 C ATOM 899 CG GLN A 62 -2.137 4.091 6.377 1.00 0.00 C ATOM 900 CD GLN A 62 -3.403 3.318 6.004 1.00 0.00 C ATOM 901 OE1 GLN A 62 -3.658 2.254 6.532 1.00 0.00 O ATOM 902 NE2 GLN A 62 -4.213 3.813 5.107 1.00 0.00 N ATOM 0 H GLN A 62 -0.302 5.487 5.549 1.00 0.00 H new ATOM 0 HA GLN A 62 0.669 2.700 4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.261 2.115 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.295 3.305 7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.236 4.511 7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.994 4.928 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.999 4.706 4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.060 3.306 4.850 1.00 0.00 H new ATOM 911 N ILE A 63 -0.585 2.672 2.773 1.00 0.00 N ATOM 912 CA ILE A 63 -1.422 2.537 1.547 1.00 0.00 C ATOM 913 C ILE A 63 -2.521 1.494 1.768 1.00 0.00 C ATOM 914 O ILE A 63 -2.361 0.562 2.532 1.00 0.00 O ATOM 915 CB ILE A 63 -0.457 2.074 0.457 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.604 3.152 0.225 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.229 1.833 -0.841 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.558 2.698 -0.881 1.00 0.00 C ATOM 0 H ILE A 63 0.335 2.235 2.721 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.919 3.471 1.282 1.00 0.00 H new ATOM 0 HB ILE A 63 0.026 1.148 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.128 4.092 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.158 3.336 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.540 1.503 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.986 1.066 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.712 2.758 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.314 3.465 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.043 1.768 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.997 2.536 -1.802 1.00 0.00 H new ATOM 930 N GLU A 64 -3.634 1.642 1.104 1.00 0.00 N ATOM 931 CA GLU A 64 -4.741 0.657 1.274 1.00 0.00 C ATOM 932 C GLU A 64 -4.980 -0.096 -0.037 1.00 0.00 C ATOM 933 O GLU A 64 -5.124 0.498 -1.087 1.00 0.00 O ATOM 934 CB GLU A 64 -5.965 1.497 1.642 1.00 0.00 C ATOM 935 CG GLU A 64 -6.161 1.477 3.159 1.00 0.00 C ATOM 936 CD GLU A 64 -6.653 0.095 3.592 1.00 0.00 C ATOM 937 OE1 GLU A 64 -5.832 -0.804 3.676 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.840 -0.041 3.834 1.00 0.00 O ATOM 0 H GLU A 64 -3.826 2.402 0.451 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.518 -0.091 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.833 2.522 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.852 1.104 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.223 1.714 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.882 2.240 3.453 1.00 0.00 H new ATOM 945 N PHE A 65 -5.022 -1.399 0.016 1.00 0.00 N ATOM 946 CA PHE A 65 -5.251 -2.189 -1.228 1.00 0.00 C ATOM 947 C PHE A 65 -6.348 -1.537 -2.074 1.00 0.00 C ATOM 948 O PHE A 65 -6.314 -1.574 -3.288 1.00 0.00 O ATOM 949 CB PHE A 65 -5.693 -3.571 -0.747 1.00 0.00 C ATOM 950 CG PHE A 65 -5.864 -4.486 -1.936 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.806 -4.669 -2.834 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.078 -5.150 -2.139 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.964 -5.516 -3.938 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.236 -5.998 -3.243 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.179 -6.181 -4.142 1.00 0.00 C ATOM 0 H PHE A 65 -4.908 -1.951 0.866 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.359 -2.243 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.953 -3.983 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.630 -3.494 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.868 -4.157 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.893 -5.009 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.149 -5.656 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.174 -6.511 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.301 -6.835 -4.993 1.00 0.00 H new ATOM 965 N SER A 66 -7.322 -0.941 -1.442 1.00 0.00 N ATOM 966 CA SER A 66 -8.419 -0.287 -2.211 1.00 0.00 C ATOM 967 C SER A 66 -7.863 0.869 -3.046 1.00 0.00 C ATOM 968 O SER A 66 -7.649 0.741 -4.235 1.00 0.00 O ATOM 969 CB SER A 66 -9.389 0.234 -1.152 1.00 0.00 C ATOM 970 OG SER A 66 -8.712 0.339 0.093 1.00 0.00 O ATOM 0 H SER A 66 -7.406 -0.879 -0.427 1.00 0.00 H new ATOM 0 HA SER A 66 -8.904 -0.974 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.782 1.207 -1.449 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.241 -0.439 -1.060 1.00 0.00 H new ATOM 0 HG SER A 66 -9.331 0.675 0.775 1.00 0.00 H new ATOM 976 N GLU A 67 -7.626 1.996 -2.432 1.00 0.00 N ATOM 977 CA GLU A 67 -7.082 3.158 -3.192 1.00 0.00 C ATOM 978 C GLU A 67 -5.914 2.711 -4.075 1.00 0.00 C ATOM 979 O GLU A 67 -5.775 3.142 -5.203 1.00 0.00 O ATOM 980 CB GLU A 67 -6.602 4.141 -2.124 1.00 0.00 C ATOM 981 CG GLU A 67 -5.582 3.451 -1.216 1.00 0.00 C ATOM 982 CD GLU A 67 -5.223 4.378 -0.054 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.134 4.865 0.594 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.041 4.585 0.169 1.00 0.00 O ATOM 0 H GLU A 67 -7.785 2.163 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.826 3.605 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.153 5.015 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.448 4.496 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.992 2.516 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.686 3.198 -1.784 1.00 0.00 H new ATOM 991 N PHE A 68 -5.074 1.849 -3.571 1.00 0.00 N ATOM 992 CA PHE A 68 -3.916 1.375 -4.382 1.00 0.00 C ATOM 993 C PHE A 68 -4.377 1.007 -5.795 1.00 0.00 C ATOM 994 O PHE A 68 -3.942 1.586 -6.771 1.00 0.00 O ATOM 995 CB PHE A 68 -3.399 0.137 -3.649 1.00 0.00 C ATOM 996 CG PHE A 68 -2.467 -0.636 -4.551 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.740 0.032 -5.545 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.330 -2.020 -4.394 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.877 -0.685 -6.381 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.466 -2.737 -5.231 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.740 -2.069 -6.224 1.00 0.00 C ATOM 0 H PHE A 68 -5.139 1.452 -2.633 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.145 2.138 -4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.877 0.433 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.235 -0.494 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.846 1.100 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.890 -2.535 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.317 -0.170 -7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.360 -3.805 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.074 -2.622 -6.869 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.255 0.049 -5.911 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.744 -0.356 -7.259 1.00 0.00 C ATOM 1013 C LEU A 69 -6.729 0.684 -7.798 1.00 0.00 C ATOM 1014 O LEU A 69 -6.700 1.038 -8.961 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.443 -1.698 -7.038 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.462 -2.840 -7.312 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.129 -2.552 -6.617 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.042 -4.148 -6.771 1.00 0.00 C ATOM 0 H LEU A 69 -5.655 -0.471 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.937 -0.433 -7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.814 -1.762 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.307 -1.782 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.299 -2.926 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.432 -3.367 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.714 -1.619 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.290 -2.464 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.345 -4.963 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.204 -4.057 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.991 -4.357 -7.265 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.601 1.178 -6.963 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.585 2.197 -7.428 1.00 0.00 C ATOM 1032 C ALA A 70 -7.875 3.277 -8.249 1.00 0.00 C ATOM 1033 O ALA A 70 -8.471 3.928 -9.085 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.173 2.793 -6.150 1.00 0.00 C ATOM 0 H ALA A 70 -7.675 0.920 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.356 1.767 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.909 3.554 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.654 2.006 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.376 3.245 -5.559 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.606 3.472 -8.017 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.858 4.509 -8.783 1.00 0.00 C ATOM 1042 C LEU A 71 -4.917 3.843 -9.791 1.00 0.00 C ATOM 1043 O LEU A 71 -4.619 4.392 -10.833 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.058 5.279 -7.732 1.00 0.00 C ATOM 1045 CG LEU A 71 -5.937 6.370 -7.119 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.239 5.750 -6.609 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.195 7.027 -5.953 1.00 0.00 C ATOM 0 H LEU A 71 -6.054 2.958 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.521 5.163 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.709 4.599 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.173 5.723 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.164 7.121 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.866 6.528 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.768 5.281 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.012 4.999 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.821 7.805 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.968 6.276 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.267 7.469 -6.315 1.00 0.00 H new ATOM 1059 N MET A 72 -4.448 2.663 -9.489 1.00 0.00 N ATOM 1060 CA MET A 72 -3.527 1.962 -10.430 1.00 0.00 C ATOM 1061 C MET A 72 -4.227 1.718 -11.771 1.00 0.00 C ATOM 1062 O MET A 72 -3.591 1.527 -12.788 1.00 0.00 O ATOM 1063 CB MET A 72 -3.198 0.635 -9.747 1.00 0.00 C ATOM 1064 CG MET A 72 -1.684 0.422 -9.750 1.00 0.00 C ATOM 1065 SD MET A 72 -1.135 0.010 -11.425 1.00 0.00 S ATOM 1066 CE MET A 72 -0.763 -1.735 -11.120 1.00 0.00 C ATOM 0 H MET A 72 -4.662 2.154 -8.632 1.00 0.00 H new ATOM 0 HA MET A 72 -2.630 2.544 -10.641 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.574 0.637 -8.724 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.693 -0.186 -10.266 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.179 1.323 -9.402 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.418 -0.380 -9.061 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.007 -2.075 -11.828 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.388 -1.855 -10.104 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.670 -2.327 -11.244 1.00 0.00 H new ATOM 1076 N SER A 73 -5.532 1.722 -11.779 1.00 0.00 N ATOM 1077 CA SER A 73 -6.270 1.488 -13.053 1.00 0.00 C ATOM 1078 C SER A 73 -6.021 2.643 -14.028 1.00 0.00 C ATOM 1079 O SER A 73 -6.395 2.585 -15.183 1.00 0.00 O ATOM 1080 CB SER A 73 -7.743 1.433 -12.652 1.00 0.00 C ATOM 1081 OG SER A 73 -8.552 1.611 -13.808 1.00 0.00 O ATOM 0 H SER A 73 -6.119 1.877 -10.959 1.00 0.00 H new ATOM 0 HA SER A 73 -5.950 0.575 -13.555 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.968 0.476 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.961 2.209 -11.918 1.00 0.00 H new ATOM 0 HG SER A 73 -9.023 0.776 -14.009 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.393 3.693 -13.571 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.122 4.849 -14.474 1.00 0.00 C ATOM 1089 C ARG A 74 -4.644 4.353 -15.841 1.00 0.00 C ATOM 1090 O ARG A 74 -4.824 5.008 -16.847 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.019 5.645 -13.775 1.00 0.00 C ATOM 1092 CG ARG A 74 -4.635 6.841 -13.046 1.00 0.00 C ATOM 1093 CD ARG A 74 -3.520 7.717 -12.472 1.00 0.00 C ATOM 1094 NE ARG A 74 -2.965 8.451 -13.644 1.00 0.00 N ATOM 1095 CZ ARG A 74 -2.017 9.330 -13.475 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -2.299 10.510 -12.993 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -0.785 9.030 -13.785 1.00 0.00 N ATOM 0 H ARG A 74 -5.057 3.800 -12.614 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.012 5.453 -14.651 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.489 5.008 -13.067 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.286 5.989 -14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.251 7.421 -13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.289 6.495 -12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.906 8.406 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.754 7.113 -11.986 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.327 8.266 -14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.261 10.744 -12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.557 11.198 -12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.564 8.108 -14.160 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.044 9.718 -13.653 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.034 3.199 -15.884 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.545 2.663 -17.185 1.00 0.00 C ATOM 1113 C GLN A 75 -3.715 1.141 -17.227 1.00 0.00 C ATOM 1114 O GLN A 75 -4.728 0.632 -17.662 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.065 3.040 -17.238 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.903 4.382 -17.954 1.00 0.00 C ATOM 1117 CD GLN A 75 -0.683 5.115 -17.395 1.00 0.00 C ATOM 1118 OE1 GLN A 75 0.319 5.253 -18.069 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.723 5.596 -16.183 1.00 0.00 N ATOM 0 H GLN A 75 -3.854 2.605 -15.074 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.098 3.067 -18.033 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.659 3.104 -16.228 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.501 2.267 -17.760 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.785 4.222 -19.026 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.798 4.989 -17.819 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.563 5.481 -15.616 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.086 6.087 -15.802 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.730 0.413 -16.778 1.00 0.00 N ATOM 1129 CA LEU A 76 -2.835 -1.074 -16.792 1.00 0.00 C ATOM 1130 C LEU A 76 -3.245 -1.563 -18.183 1.00 0.00 C ATOM 1131 O LEU A 76 -3.390 -0.787 -19.106 1.00 0.00 O ATOM 1132 CB LEU A 76 -3.921 -1.403 -15.765 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.306 -1.437 -14.366 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -4.383 -1.806 -13.343 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -2.189 -2.481 -14.326 1.00 0.00 C ATOM 0 H LEU A 76 -1.857 0.783 -16.402 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.888 -1.558 -16.553 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.714 -0.657 -15.807 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.376 -2.366 -15.997 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.897 -0.456 -14.126 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.944 -1.830 -12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.181 -1.064 -13.371 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.792 -2.787 -13.583 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.750 -2.506 -13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.599 -3.462 -14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.421 -2.220 -15.054 1.00 0.00 H new ATOM 1147 N LYS A 77 -3.435 -2.844 -18.340 1.00 0.00 N ATOM 1148 CA LYS A 77 -3.837 -3.382 -19.671 1.00 0.00 C ATOM 1149 C LYS A 77 -5.159 -4.145 -19.557 1.00 0.00 C ATOM 1150 O LYS A 77 -5.225 -5.255 -20.059 1.00 0.00 O ATOM 1151 CB LYS A 77 -2.704 -4.328 -20.074 1.00 0.00 C ATOM 1152 CG LYS A 77 -2.229 -3.984 -21.487 1.00 0.00 C ATOM 1153 CD LYS A 77 -2.600 -5.120 -22.442 1.00 0.00 C ATOM 1154 CE LYS A 77 -2.605 -4.598 -23.880 1.00 0.00 C ATOM 1155 NZ LYS A 77 -1.411 -5.219 -24.518 1.00 0.00 N ATOM 1156 OXT LYS A 77 -6.082 -3.606 -18.970 1.00 0.00 O ATOM 0 H LYS A 77 -3.329 -3.542 -17.604 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.990 -2.592 -20.406 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.876 -4.242 -19.370 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.048 -5.361 -20.036 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.686 -3.052 -21.819 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.150 -3.829 -21.492 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.887 -5.939 -22.344 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.581 -5.519 -22.185 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.521 -4.879 -24.399 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.545 -3.510 -23.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.346 -4.908 -25.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.553 -4.928 -24.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.499 -6.255 -24.485 1.00 0.00 H new TER 1170 LYS A 77