USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 693 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 78 ASN :FLIP amide:sc= 0.00289 F(o=-1.6!,f=0.0029) USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= 0 X(o=-0.11,f=0.0029) USER MOD Set 2.1: A 14 HIS :FLIP no HE2:sc= -5.1 F(o=-6.5!,f=-5.1) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.602 K(o=-0.6,f=-1.6) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0551 K(o=-0.055,f=-7.1!) USER MOD Single : A 13 ASN : amide:sc= -5.45! C(o=-5.5!,f=-10!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 20 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.76) USER MOD Single : A 25 THR OG1 : rot -90:sc= -1.86! USER MOD Single : A 26 ASN : amide:sc= -5.36! C(o=-5.4!,f=-21!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 141:sc= -0.0174 (180deg=-0.944) USER MOD Single : A 35 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.45) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -8.97! C(o=-9!,f=-8.7!) USER MOD Single : A 59 ASN : amide:sc= -2.6! C(o=-2.6!,f=-20!) USER MOD Single : A 62 GLN : amide:sc= -3.47! C(o=-3.5!,f=-8.7!) USER MOD Single : A 71 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.03) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.125 (180deg=-0.65) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 77 GLN :FLIP amide:sc= -2.07! C(o=-2.9!,f=-2.1!) USER MOD Single : A 81 MET CE :methyl 150:sc= -9.85! (180deg=-11.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.403 -18.170 -0.784 1.00 0.00 N ATOM 2 CA MET A 1 -21.531 -17.080 0.210 1.00 0.00 C ATOM 3 C MET A 1 -20.529 -15.974 -0.164 1.00 0.00 C ATOM 4 O MET A 1 -19.397 -16.055 0.237 1.00 0.00 O ATOM 5 CB MET A 1 -21.182 -17.559 1.616 1.00 0.00 C ATOM 6 CG MET A 1 -21.558 -16.537 2.683 1.00 0.00 C ATOM 7 SD MET A 1 -20.615 -16.855 4.191 1.00 0.00 S ATOM 8 CE MET A 1 -20.139 -15.147 4.540 1.00 0.00 C ATOM 0 H1 MET A 1 -22.072 -18.932 -0.552 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.614 -17.801 -1.733 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.433 -18.544 -0.766 1.00 0.00 H new ATOM 0 HA MET A 1 -22.562 -16.727 0.202 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.698 -18.498 1.817 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.113 -17.765 1.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.355 -15.529 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.626 -16.592 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.538 -15.115 5.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.557 -14.754 3.706 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.034 -14.540 4.675 1.00 0.00 H new ATOM 20 N ALA A 2 -20.908 -14.976 -0.899 1.00 0.00 N ATOM 21 CA ALA A 2 -19.939 -13.899 -1.265 1.00 0.00 C ATOM 22 C ALA A 2 -19.533 -13.145 -0.013 1.00 0.00 C ATOM 23 O ALA A 2 -20.216 -13.170 1.007 1.00 0.00 O ATOM 24 CB ALA A 2 -20.619 -12.916 -2.227 1.00 0.00 C ATOM 0 H ALA A 2 -21.851 -14.852 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.062 -14.343 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.917 -12.127 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.934 -13.446 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.490 -12.475 -1.742 1.00 0.00 H new ATOM 30 N PRO A 3 -18.410 -12.474 -0.103 1.00 0.00 N ATOM 31 CA PRO A 3 -17.885 -11.694 1.033 1.00 0.00 C ATOM 32 C PRO A 3 -18.862 -10.613 1.479 1.00 0.00 C ATOM 33 O PRO A 3 -19.260 -10.599 2.630 1.00 0.00 O ATOM 34 CB PRO A 3 -16.595 -11.010 0.554 1.00 0.00 C ATOM 35 CG PRO A 3 -16.308 -11.701 -0.795 1.00 0.00 C ATOM 36 CD PRO A 3 -17.563 -12.424 -1.318 1.00 0.00 C ATOM 0 HA PRO A 3 -17.716 -12.363 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.730 -9.935 0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.778 -11.152 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.979 -10.961 -1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.494 -12.416 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.043 -11.876 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.333 -13.419 -1.698 1.00 0.00 H new ATOM 44 N ALA A 4 -19.255 -9.710 0.604 1.00 0.00 N ATOM 45 CA ALA A 4 -20.214 -8.624 0.993 1.00 0.00 C ATOM 46 C ALA A 4 -19.540 -7.842 2.113 1.00 0.00 C ATOM 47 O ALA A 4 -18.366 -8.031 2.408 1.00 0.00 O ATOM 48 CB ALA A 4 -21.500 -9.238 1.554 1.00 0.00 C ATOM 0 H ALA A 4 -18.949 -9.681 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.461 -8.000 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -22.191 -8.443 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.962 -9.870 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.263 -9.839 2.432 1.00 0.00 H new ATOM 54 N GLN A 5 -20.239 -6.960 2.755 1.00 0.00 N ATOM 55 CA GLN A 5 -19.607 -6.171 3.860 1.00 0.00 C ATOM 56 C GLN A 5 -20.621 -5.743 4.907 1.00 0.00 C ATOM 57 O GLN A 5 -21.828 -5.812 4.711 1.00 0.00 O ATOM 58 CB GLN A 5 -18.871 -4.945 3.312 1.00 0.00 C ATOM 59 CG GLN A 5 -19.141 -4.759 1.811 1.00 0.00 C ATOM 60 CD GLN A 5 -20.599 -4.304 1.635 1.00 0.00 C ATOM 61 OE1 GLN A 5 -21.097 -3.501 2.411 1.00 0.00 O ATOM 62 NE2 GLN A 5 -21.304 -4.779 0.656 1.00 0.00 N ATOM 0 H GLN A 5 -21.219 -6.744 2.570 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.885 -6.830 4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.189 -4.054 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.800 -5.055 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.459 -4.019 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.967 -5.692 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.890 -5.449 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.272 -4.483 0.534 1.00 0.00 H new ATOM 71 N PRO A 6 -20.154 -5.294 6.034 1.00 0.00 N ATOM 72 CA PRO A 6 -21.031 -4.844 7.139 1.00 0.00 C ATOM 73 C PRO A 6 -21.395 -3.383 6.864 1.00 0.00 C ATOM 74 O PRO A 6 -22.472 -3.106 6.365 1.00 0.00 O ATOM 75 CB PRO A 6 -20.176 -4.980 8.393 1.00 0.00 C ATOM 76 CG PRO A 6 -18.693 -4.937 7.953 1.00 0.00 C ATOM 77 CD PRO A 6 -18.746 -5.144 6.430 1.00 0.00 C ATOM 0 HA PRO A 6 -21.956 -5.411 7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -20.392 -4.173 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.396 -5.915 8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -18.229 -3.985 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.110 -5.718 8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.295 -4.296 5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.175 -6.029 6.147 1.00 0.00 H new ATOM 85 N LEU A 7 -20.533 -2.474 7.174 1.00 0.00 N ATOM 86 CA LEU A 7 -20.759 -1.009 6.957 1.00 0.00 C ATOM 87 C LEU A 7 -19.422 -0.431 6.492 1.00 0.00 C ATOM 88 O LEU A 7 -19.130 0.722 6.671 1.00 0.00 O ATOM 89 CB LEU A 7 -21.247 -0.330 8.244 1.00 0.00 C ATOM 90 CG LEU A 7 -22.364 -1.129 8.909 1.00 0.00 C ATOM 91 CD1 LEU A 7 -22.535 -0.655 10.364 1.00 0.00 C ATOM 92 CD2 LEU A 7 -23.716 -0.914 8.222 1.00 0.00 C ATOM 0 H LEU A 7 -19.628 -2.688 7.593 1.00 0.00 H new ATOM 0 HA LEU A 7 -21.535 -0.836 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.413 -0.221 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.604 0.674 8.014 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.081 -2.180 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -23.333 -1.225 10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.603 -0.809 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -22.790 0.405 10.374 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -24.480 -1.503 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -23.983 0.142 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -23.649 -1.228 7.180 1.00 0.00 H new ATOM 104 N SER A 8 -18.621 -1.275 5.887 1.00 0.00 N ATOM 105 CA SER A 8 -17.291 -0.858 5.381 1.00 0.00 C ATOM 106 C SER A 8 -17.379 -0.807 3.843 1.00 0.00 C ATOM 107 O SER A 8 -16.767 -1.611 3.153 1.00 0.00 O ATOM 108 CB SER A 8 -16.267 -1.925 5.774 1.00 0.00 C ATOM 109 OG SER A 8 -14.981 -1.354 5.581 1.00 0.00 O ATOM 0 H SER A 8 -18.846 -2.256 5.723 1.00 0.00 H new ATOM 0 HA SER A 8 -17.000 0.109 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.403 -2.227 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.388 -2.820 5.163 1.00 0.00 H new ATOM 0 HG SER A 8 -14.293 -2.008 5.824 1.00 0.00 H new ATOM 115 N GLU A 9 -18.134 0.132 3.323 1.00 0.00 N ATOM 116 CA GLU A 9 -18.296 0.279 1.864 1.00 0.00 C ATOM 117 C GLU A 9 -17.705 1.649 1.477 1.00 0.00 C ATOM 118 O GLU A 9 -18.360 2.502 0.913 1.00 0.00 O ATOM 119 CB GLU A 9 -19.787 0.282 1.489 1.00 0.00 C ATOM 120 CG GLU A 9 -20.608 1.095 2.513 1.00 0.00 C ATOM 121 CD GLU A 9 -22.087 1.045 2.134 1.00 0.00 C ATOM 122 OE1 GLU A 9 -22.399 0.796 0.985 1.00 0.00 O ATOM 123 OE2 GLU A 9 -22.907 1.261 3.014 1.00 0.00 O ATOM 0 H GLU A 9 -18.653 0.815 3.875 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.800 -0.544 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.915 0.707 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.159 -0.742 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -20.464 0.690 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.262 2.128 2.535 1.00 0.00 H new ATOM 130 N ASN A 10 -16.443 1.825 1.801 1.00 0.00 N ATOM 131 CA ASN A 10 -15.728 3.106 1.492 1.00 0.00 C ATOM 132 C ASN A 10 -15.416 3.158 -0.020 1.00 0.00 C ATOM 133 O ASN A 10 -14.984 2.136 -0.539 1.00 0.00 O ATOM 134 CB ASN A 10 -14.427 3.238 2.281 1.00 0.00 C ATOM 135 CG ASN A 10 -13.589 1.995 2.033 1.00 0.00 C ATOM 136 OD1 ASN A 10 -14.069 0.894 1.876 1.00 0.00 O ATOM 137 ND2 ASN A 10 -12.282 2.146 1.991 1.00 0.00 N ATOM 0 H ASN A 10 -15.871 1.124 2.273 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.377 3.933 1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.884 4.130 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.638 3.348 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.680 1.339 1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.871 3.070 2.122 1.00 0.00 H new ATOM 144 N PRO A 11 -15.637 4.283 -0.629 1.00 0.00 N ATOM 145 CA PRO A 11 -15.385 4.457 -2.052 1.00 0.00 C ATOM 146 C PRO A 11 -13.941 4.183 -2.460 1.00 0.00 C ATOM 147 O PRO A 11 -13.029 4.126 -1.669 1.00 0.00 O ATOM 148 CB PRO A 11 -15.708 5.935 -2.366 1.00 0.00 C ATOM 149 CG PRO A 11 -16.103 6.633 -1.047 1.00 0.00 C ATOM 150 CD PRO A 11 -16.161 5.516 0.010 1.00 0.00 C ATOM 0 HA PRO A 11 -15.998 3.743 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.843 6.427 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.521 6.001 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.373 7.395 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.067 7.134 -1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.565 5.781 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.184 5.366 0.356 1.00 0.00 H new ATOM 158 N PRO A 12 -13.748 4.012 -3.734 1.00 0.00 N ATOM 159 CA PRO A 12 -12.433 3.735 -4.364 1.00 0.00 C ATOM 160 C PRO A 12 -11.360 4.711 -3.865 1.00 0.00 C ATOM 161 O PRO A 12 -11.283 5.833 -4.326 1.00 0.00 O ATOM 162 CB PRO A 12 -12.662 3.981 -5.849 1.00 0.00 C ATOM 163 CG PRO A 12 -14.178 3.630 -5.987 1.00 0.00 C ATOM 164 CD PRO A 12 -14.874 4.084 -4.688 1.00 0.00 C ATOM 0 HA PRO A 12 -12.088 2.727 -4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.451 5.012 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.034 3.345 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.612 4.133 -6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.312 2.559 -6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.284 5.091 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.697 3.426 -4.408 1.00 0.00 H new ATOM 172 N ASN A 13 -10.558 4.265 -2.929 1.00 0.00 N ATOM 173 CA ASN A 13 -9.520 5.182 -2.421 1.00 0.00 C ATOM 174 C ASN A 13 -8.316 5.355 -3.369 1.00 0.00 C ATOM 175 O ASN A 13 -7.920 6.487 -3.582 1.00 0.00 O ATOM 176 CB ASN A 13 -8.930 4.657 -1.091 1.00 0.00 C ATOM 177 CG ASN A 13 -8.685 3.140 -1.285 1.00 0.00 C ATOM 178 OD1 ASN A 13 -7.623 2.736 -1.678 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.697 2.368 -0.989 1.00 0.00 N ATOM 0 H ASN A 13 -10.582 3.334 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.035 6.136 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.000 5.172 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.618 4.836 -0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.612 1.356 -1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.572 2.777 -0.660 1.00 0.00 H new ATOM 186 N HIS A 14 -7.763 4.304 -3.880 1.00 0.00 N ATOM 187 CA HIS A 14 -6.577 4.297 -4.765 1.00 0.00 C ATOM 188 C HIS A 14 -5.401 4.959 -3.969 1.00 0.00 C ATOM 189 O HIS A 14 -4.500 5.567 -4.490 1.00 0.00 O ATOM 190 CB HIS A 14 -6.741 5.094 -6.045 1.00 0.00 C ATOM 191 CG HIS A 14 -8.131 5.560 -6.320 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.840 6.735 -6.176 1.00 0.00 N flip ATOM 193 CD2 HIS A 14 -9.094 4.748 -6.878 1.00 0.00 C flip ATOM 194 CE1 HIS A 14 -10.156 6.650 -6.617 1.00 0.00 C flip ATOM 195 NE2 HIS A 14 -10.249 5.401 -7.040 1.00 0.00 N flip ATOM 0 H HIS A 14 -8.121 3.366 -3.701 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.404 3.259 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.084 5.963 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.406 4.482 -6.882 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.437 7.586 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.936 3.715 -7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.916 7.417 -6.615 1.00 0.00 H new ATOM 204 N ILE A 15 -5.410 4.840 -2.652 1.00 0.00 N ATOM 205 CA ILE A 15 -4.423 5.430 -1.722 1.00 0.00 C ATOM 206 C ILE A 15 -4.302 4.382 -0.589 1.00 0.00 C ATOM 207 O ILE A 15 -5.276 4.153 0.064 1.00 0.00 O ATOM 208 CB ILE A 15 -4.806 6.789 -1.106 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.256 7.883 -2.046 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.127 6.929 0.241 1.00 0.00 C ATOM 211 CD1 ILE A 15 -4.156 9.232 -1.364 1.00 0.00 C ATOM 0 H ILE A 15 -6.132 4.308 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.506 5.642 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.886 6.872 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.271 7.587 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.903 7.967 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.393 7.889 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.453 6.123 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.046 6.876 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.764 9.967 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.145 9.544 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.487 9.158 -0.507 1.00 0.00 H new ATOM 223 N LEU A 16 -3.125 3.854 -0.444 1.00 0.00 N ATOM 224 CA LEU A 16 -2.833 2.858 0.649 1.00 0.00 C ATOM 225 C LEU A 16 -1.693 3.416 1.550 1.00 0.00 C ATOM 226 O LEU A 16 -0.552 3.564 1.172 1.00 0.00 O ATOM 227 CB LEU A 16 -2.416 1.558 -0.004 1.00 0.00 C ATOM 228 CG LEU A 16 -3.140 1.454 -1.364 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.227 1.996 -2.449 1.00 0.00 C ATOM 230 CD2 LEU A 16 -3.477 -0.009 -1.684 1.00 0.00 C ATOM 0 H LEU A 16 -2.328 4.067 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.711 2.685 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.335 1.531 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.676 0.712 0.632 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.065 2.029 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.728 1.927 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.989 3.038 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.307 1.412 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.987 -0.063 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.558 -0.593 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.126 -0.411 -0.906 1.00 0.00 H new ATOM 242 N PHE A 17 -2.148 3.751 2.764 1.00 0.00 N ATOM 243 CA PHE A 17 -1.391 4.398 3.824 1.00 0.00 C ATOM 244 C PHE A 17 -1.448 3.442 5.037 1.00 0.00 C ATOM 245 O PHE A 17 -2.500 3.011 5.379 1.00 0.00 O ATOM 246 CB PHE A 17 -1.864 5.787 4.206 1.00 0.00 C ATOM 247 CG PHE A 17 -1.511 5.926 5.682 1.00 0.00 C ATOM 248 CD1 PHE A 17 -0.154 5.948 6.079 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.499 6.032 6.667 1.00 0.00 C ATOM 250 CE1 PHE A 17 0.193 6.073 7.438 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.179 6.154 8.019 1.00 0.00 C ATOM 252 CZ PHE A 17 -0.823 6.174 8.400 1.00 0.00 C ATOM 0 H PHE A 17 -3.112 3.563 3.041 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.376 4.570 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.369 6.552 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.936 5.899 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.623 5.868 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.538 6.019 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.231 6.091 7.737 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.959 6.232 8.762 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.563 6.268 9.444 1.00 0.00 H new ATOM 262 N LEU A 18 -0.292 3.148 5.507 1.00 0.00 N ATOM 263 CA LEU A 18 -0.180 2.307 6.664 1.00 0.00 C ATOM 264 C LEU A 18 1.296 2.201 6.924 1.00 0.00 C ATOM 265 O LEU A 18 2.105 2.871 6.289 1.00 0.00 O ATOM 266 CB LEU A 18 -1.037 1.084 6.834 1.00 0.00 C ATOM 267 CG LEU A 18 -1.216 0.741 8.334 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.668 1.003 8.787 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.936 -0.708 8.644 1.00 0.00 C ATOM 0 H LEU A 18 0.594 3.471 5.118 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.711 2.780 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.012 1.251 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.581 0.240 6.315 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.502 1.377 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.770 0.755 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.912 2.054 8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.349 0.385 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.078 -0.886 9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.619 -1.340 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.092 -0.947 8.370 1.00 0.00 H new ATOM 281 N THR A 19 1.603 1.497 7.891 1.00 0.00 N ATOM 282 CA THR A 19 2.953 1.390 8.337 1.00 0.00 C ATOM 283 C THR A 19 3.189 -0.055 8.722 1.00 0.00 C ATOM 284 O THR A 19 2.371 -0.956 8.581 1.00 0.00 O ATOM 285 CB THR A 19 3.063 2.189 9.666 1.00 0.00 C ATOM 286 OG1 THR A 19 3.050 1.318 10.782 1.00 0.00 O ATOM 287 CG2 THR A 19 1.904 3.203 9.789 1.00 0.00 C ATOM 0 H THR A 19 0.934 0.950 8.434 1.00 0.00 H new ATOM 0 HA THR A 19 3.645 1.741 7.572 1.00 0.00 H new ATOM 0 HB THR A 19 4.010 2.728 9.651 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.122 1.842 11.607 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.999 3.752 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.942 3.902 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.952 2.671 9.775 1.00 0.00 H new ATOM 295 N ASN A 20 4.323 -0.246 9.123 1.00 0.00 N ATOM 296 CA ASN A 20 4.878 -1.551 9.638 1.00 0.00 C ATOM 297 C ASN A 20 6.218 -1.708 8.892 1.00 0.00 C ATOM 298 O ASN A 20 6.528 -2.678 8.251 1.00 0.00 O ATOM 299 CB ASN A 20 3.961 -2.729 9.514 1.00 0.00 C ATOM 300 CG ASN A 20 4.591 -3.894 10.319 1.00 0.00 C ATOM 301 OD1 ASN A 20 5.488 -4.575 9.898 1.00 0.00 O ATOM 302 ND2 ASN A 20 4.133 -4.148 11.510 1.00 0.00 N ATOM 0 H ASN A 20 5.016 0.502 9.141 1.00 0.00 H new ATOM 0 HA ASN A 20 5.010 -1.523 10.720 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.971 -2.487 9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.835 -3.009 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.535 -4.908 12.060 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.372 -3.587 11.894 1.00 0.00 H new ATOM 309 N LEU A 21 7.033 -0.709 8.971 1.00 0.00 N ATOM 310 CA LEU A 21 8.339 -0.747 8.239 1.00 0.00 C ATOM 311 C LEU A 21 9.490 -0.295 9.143 1.00 0.00 C ATOM 312 O LEU A 21 9.538 0.858 9.520 1.00 0.00 O ATOM 313 CB LEU A 21 8.244 0.182 7.028 1.00 0.00 C ATOM 314 CG LEU A 21 6.829 0.535 6.634 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.728 2.075 6.538 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.425 -0.106 5.287 1.00 0.00 C ATOM 0 H LEU A 21 6.862 0.140 9.509 1.00 0.00 H new ATOM 0 HA LEU A 21 8.541 -1.770 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.790 1.100 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.739 -0.291 6.180 1.00 0.00 H new ATOM 0 HG LEU A 21 6.145 0.145 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.714 2.356 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.970 2.516 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.429 2.439 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.400 0.175 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.094 0.246 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.495 -1.191 5.365 1.00 0.00 H new ATOM 328 N PRO A 22 10.397 -1.155 9.494 1.00 0.00 N ATOM 329 CA PRO A 22 11.551 -0.828 10.358 1.00 0.00 C ATOM 330 C PRO A 22 12.523 0.068 9.586 1.00 0.00 C ATOM 331 O PRO A 22 12.102 0.766 8.701 1.00 0.00 O ATOM 332 CB PRO A 22 12.175 -2.184 10.726 1.00 0.00 C ATOM 333 CG PRO A 22 11.487 -3.300 9.901 1.00 0.00 C ATOM 334 CD PRO A 22 10.410 -2.567 9.087 1.00 0.00 C ATOM 0 HA PRO A 22 11.275 -0.279 11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.246 -2.172 10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.055 -2.376 11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.198 -3.809 9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.048 -4.059 10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.618 -2.652 8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.433 -3.019 9.258 1.00 0.00 H new ATOM 342 N GLU A 23 13.789 0.081 9.876 1.00 0.00 N ATOM 343 CA GLU A 23 14.736 0.951 9.127 1.00 0.00 C ATOM 344 C GLU A 23 15.270 0.138 7.958 1.00 0.00 C ATOM 345 O GLU A 23 16.110 0.627 7.231 1.00 0.00 O ATOM 346 CB GLU A 23 15.877 1.357 10.056 1.00 0.00 C ATOM 347 CG GLU A 23 16.831 0.159 10.202 1.00 0.00 C ATOM 348 CD GLU A 23 17.903 0.545 11.218 1.00 0.00 C ATOM 349 OE1 GLU A 23 17.591 1.411 12.018 1.00 0.00 O ATOM 350 OE2 GLU A 23 18.991 -0.004 11.197 1.00 0.00 O ATOM 0 H GLU A 23 14.217 -0.482 10.611 1.00 0.00 H new ATOM 0 HA GLU A 23 14.246 1.854 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.408 2.218 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.487 1.652 11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.288 -0.725 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.284 -0.089 9.242 1.00 0.00 H new ATOM 357 N GLU A 24 14.844 -1.061 7.737 1.00 0.00 N ATOM 358 CA GLU A 24 15.347 -1.894 6.594 1.00 0.00 C ATOM 359 C GLU A 24 14.415 -1.771 5.385 1.00 0.00 C ATOM 360 O GLU A 24 14.291 -2.698 4.591 1.00 0.00 O ATOM 361 CB GLU A 24 15.457 -3.361 7.039 1.00 0.00 C ATOM 362 CG GLU A 24 16.438 -4.044 6.094 1.00 0.00 C ATOM 363 CD GLU A 24 17.137 -5.187 6.844 1.00 0.00 C ATOM 364 OE1 GLU A 24 16.521 -6.230 7.032 1.00 0.00 O ATOM 365 OE2 GLU A 24 18.285 -4.959 7.201 1.00 0.00 O ATOM 0 H GLU A 24 14.143 -1.526 8.314 1.00 0.00 H new ATOM 0 HA GLU A 24 16.332 -1.533 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.806 -3.426 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.483 -3.849 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.913 -4.432 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.173 -3.326 5.731 1.00 0.00 H new ATOM 372 N THR A 25 13.787 -0.649 5.268 1.00 0.00 N ATOM 373 CA THR A 25 12.850 -0.405 4.140 1.00 0.00 C ATOM 374 C THR A 25 13.476 0.613 3.165 1.00 0.00 C ATOM 375 O THR A 25 14.294 1.389 3.636 1.00 0.00 O ATOM 376 CB THR A 25 11.595 0.252 4.713 1.00 0.00 C ATOM 377 OG1 THR A 25 10.681 0.624 3.683 1.00 0.00 O ATOM 378 CG2 THR A 25 11.922 1.514 5.514 1.00 0.00 C ATOM 0 H THR A 25 13.882 0.131 5.918 1.00 0.00 H new ATOM 0 HA THR A 25 12.632 -1.344 3.631 1.00 0.00 H new ATOM 0 HB THR A 25 11.146 -0.495 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.876 1.538 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.000 1.947 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.580 1.258 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.419 2.237 4.867 1.00 0.00 H new ATOM 386 N ASN A 26 13.127 0.610 1.921 1.00 0.00 N ATOM 387 CA ASN A 26 13.768 1.625 1.014 1.00 0.00 C ATOM 388 C ASN A 26 12.693 2.233 0.110 1.00 0.00 C ATOM 389 O ASN A 26 11.803 1.586 -0.433 1.00 0.00 O ATOM 390 CB ASN A 26 14.908 0.941 0.287 1.00 0.00 C ATOM 391 CG ASN A 26 15.156 1.443 -1.117 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.754 2.463 -1.603 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.883 0.664 -1.896 1.00 0.00 N ATOM 0 H ASN A 26 12.452 -0.020 1.489 1.00 0.00 H new ATOM 0 HA ASN A 26 14.202 2.466 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.820 1.068 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.703 -0.129 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.076 0.942 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.252 -0.216 -1.536 1.00 0.00 H new ATOM 400 N GLU A 27 12.749 3.529 -0.068 1.00 0.00 N ATOM 401 CA GLU A 27 11.812 4.332 -0.880 1.00 0.00 C ATOM 402 C GLU A 27 11.955 3.993 -2.380 1.00 0.00 C ATOM 403 O GLU A 27 10.938 3.942 -3.006 1.00 0.00 O ATOM 404 CB GLU A 27 12.121 5.842 -0.804 1.00 0.00 C ATOM 405 CG GLU A 27 11.359 6.612 -1.902 1.00 0.00 C ATOM 406 CD GLU A 27 9.850 6.457 -1.713 1.00 0.00 C ATOM 407 OE1 GLU A 27 9.403 6.896 -0.676 1.00 0.00 O ATOM 408 OE2 GLU A 27 9.157 5.928 -2.550 1.00 0.00 O ATOM 0 H GLU A 27 13.477 4.099 0.362 1.00 0.00 H new ATOM 0 HA GLU A 27 10.823 4.102 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.841 6.226 0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.193 6.005 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.629 7.667 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.649 6.239 -2.884 1.00 0.00 H new ATOM 415 N LEU A 28 13.126 3.794 -2.906 1.00 0.00 N ATOM 416 CA LEU A 28 13.331 3.469 -4.373 1.00 0.00 C ATOM 417 C LEU A 28 12.886 2.004 -4.577 1.00 0.00 C ATOM 418 O LEU A 28 12.519 1.544 -5.631 1.00 0.00 O ATOM 419 CB LEU A 28 14.795 3.683 -4.728 1.00 0.00 C ATOM 420 CG LEU A 28 15.332 2.640 -5.703 1.00 0.00 C ATOM 421 CD1 LEU A 28 14.859 2.892 -7.143 1.00 0.00 C ATOM 422 CD2 LEU A 28 16.872 2.722 -5.644 1.00 0.00 C ATOM 0 H LEU A 28 13.993 3.842 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 28 12.745 4.114 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.916 4.675 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.391 3.660 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 28 14.962 1.655 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.267 2.124 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.770 2.859 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.204 3.872 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.302 1.991 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.194 3.722 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.209 2.511 -4.629 1.00 0.00 H new ATOM 434 N MET A 29 12.929 1.273 -3.478 1.00 0.00 N ATOM 435 CA MET A 29 12.502 -0.180 -3.504 1.00 0.00 C ATOM 436 C MET A 29 10.990 -0.197 -3.696 1.00 0.00 C ATOM 437 O MET A 29 10.400 -0.718 -4.649 1.00 0.00 O ATOM 438 CB MET A 29 12.881 -0.753 -2.139 1.00 0.00 C ATOM 439 CG MET A 29 13.129 -2.244 -2.171 1.00 0.00 C ATOM 440 SD MET A 29 12.053 -3.123 -3.330 1.00 0.00 S ATOM 441 CE MET A 29 13.181 -4.540 -3.513 1.00 0.00 C ATOM 0 H MET A 29 13.239 1.614 -2.568 1.00 0.00 H new ATOM 0 HA MET A 29 12.970 -0.761 -4.299 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.777 -0.249 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.084 -0.538 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.169 -2.427 -2.441 1.00 0.00 H new ATOM 0 HG3 MET A 29 12.983 -2.651 -1.170 1.00 0.00 H new ATOM 0 HE1 MET A 29 12.746 -5.264 -4.202 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.138 -4.195 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.335 -5.010 -2.542 1.00 0.00 H new ATOM 451 N LEU A 30 10.331 0.419 -2.741 1.00 0.00 N ATOM 452 CA LEU A 30 8.840 0.479 -2.826 1.00 0.00 C ATOM 453 C LEU A 30 8.451 1.399 -4.000 1.00 0.00 C ATOM 454 O LEU A 30 7.383 1.307 -4.535 1.00 0.00 O ATOM 455 CB LEU A 30 8.269 0.941 -1.498 1.00 0.00 C ATOM 456 CG LEU A 30 7.751 -0.282 -0.718 1.00 0.00 C ATOM 457 CD1 LEU A 30 8.827 -0.817 0.243 1.00 0.00 C ATOM 458 CD2 LEU A 30 6.476 0.081 0.035 1.00 0.00 C ATOM 0 H LEU A 30 10.749 0.871 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 30 8.418 -0.507 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.034 1.459 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.459 1.652 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 30 7.520 -1.076 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.437 -1.680 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.709 -1.113 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.099 -0.038 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.117 -0.790 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.685 0.890 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.713 0.403 -0.674 1.00 0.00 H new ATOM 470 N SER A 31 9.350 2.265 -4.370 1.00 0.00 N ATOM 471 CA SER A 31 9.185 3.238 -5.474 1.00 0.00 C ATOM 472 C SER A 31 8.959 2.470 -6.794 1.00 0.00 C ATOM 473 O SER A 31 7.964 2.652 -7.436 1.00 0.00 O ATOM 474 CB SER A 31 10.440 4.081 -5.724 1.00 0.00 C ATOM 475 OG SER A 31 10.265 4.703 -7.006 1.00 0.00 O ATOM 0 H SER A 31 10.258 2.336 -3.912 1.00 0.00 H new ATOM 0 HA SER A 31 8.353 3.880 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.565 4.831 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.334 3.458 -5.714 1.00 0.00 H new ATOM 0 HG SER A 31 11.047 5.257 -7.210 1.00 0.00 H new ATOM 481 N MET A 32 9.933 1.663 -7.080 1.00 0.00 N ATOM 482 CA MET A 32 9.912 0.824 -8.300 1.00 0.00 C ATOM 483 C MET A 32 8.903 -0.326 -8.137 1.00 0.00 C ATOM 484 O MET A 32 8.287 -0.815 -9.081 1.00 0.00 O ATOM 485 CB MET A 32 11.293 0.157 -8.485 1.00 0.00 C ATOM 486 CG MET A 32 12.426 1.164 -8.419 1.00 0.00 C ATOM 487 SD MET A 32 13.110 1.324 -10.102 1.00 0.00 S ATOM 488 CE MET A 32 14.559 0.253 -9.924 1.00 0.00 C ATOM 0 H MET A 32 10.766 1.547 -6.502 1.00 0.00 H new ATOM 0 HA MET A 32 9.649 1.462 -9.144 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.436 -0.600 -7.714 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.321 -0.357 -9.446 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.064 2.127 -8.059 1.00 0.00 H new ATOM 0 HG3 MET A 32 13.195 0.832 -7.722 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.700 -0.324 -10.838 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.443 0.864 -9.741 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.408 -0.427 -9.086 1.00 0.00 H new ATOM 498 N LEU A 33 8.668 -0.810 -6.931 1.00 0.00 N ATOM 499 CA LEU A 33 7.692 -1.947 -6.710 1.00 0.00 C ATOM 500 C LEU A 33 6.296 -1.345 -6.950 1.00 0.00 C ATOM 501 O LEU A 33 5.384 -1.951 -7.443 1.00 0.00 O ATOM 502 CB LEU A 33 7.759 -2.396 -5.249 1.00 0.00 C ATOM 503 CG LEU A 33 8.549 -3.688 -5.071 1.00 0.00 C ATOM 504 CD1 LEU A 33 8.732 -4.044 -3.588 1.00 0.00 C ATOM 505 CD2 LEU A 33 7.810 -4.861 -5.712 1.00 0.00 C ATOM 0 H LEU A 33 9.113 -0.465 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 33 7.910 -2.793 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.217 -1.608 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.747 -2.537 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 33 9.518 -3.521 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.300 -4.971 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.271 -3.241 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.755 -4.173 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.389 -5.774 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.833 -4.976 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.680 -4.671 -6.777 1.00 0.00 H new ATOM 517 N PHE A 34 6.231 -0.092 -6.569 1.00 0.00 N ATOM 518 CA PHE A 34 4.920 0.634 -6.789 1.00 0.00 C ATOM 519 C PHE A 34 4.885 1.063 -8.268 1.00 0.00 C ATOM 520 O PHE A 34 3.868 1.187 -8.898 1.00 0.00 O ATOM 521 CB PHE A 34 4.773 1.804 -5.838 1.00 0.00 C ATOM 522 CG PHE A 34 4.366 1.279 -4.487 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.460 0.220 -4.312 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.911 1.867 -3.357 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.109 -0.236 -3.033 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.570 1.422 -2.090 1.00 0.00 C ATOM 527 CZ PHE A 34 3.671 0.374 -1.921 1.00 0.00 C ATOM 0 H PHE A 34 6.982 0.446 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 34 4.072 -0.016 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.713 2.351 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.026 2.504 -6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.025 -0.253 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.611 2.683 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.410 -1.051 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.007 1.895 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.412 0.037 -0.928 1.00 0.00 H new ATOM 537 N ASN A 35 6.070 1.284 -8.773 1.00 0.00 N ATOM 538 CA ASN A 35 6.291 1.720 -10.171 1.00 0.00 C ATOM 539 C ASN A 35 5.823 0.615 -11.125 1.00 0.00 C ATOM 540 O ASN A 35 5.304 0.956 -12.169 1.00 0.00 O ATOM 541 CB ASN A 35 7.752 2.055 -10.471 1.00 0.00 C ATOM 542 CG ASN A 35 7.888 2.939 -11.732 1.00 0.00 C ATOM 543 OD1 ASN A 35 7.485 2.542 -12.808 1.00 0.00 O ATOM 544 ND2 ASN A 35 8.440 4.115 -11.645 1.00 0.00 N ATOM 0 H ASN A 35 6.932 1.172 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 35 5.715 2.634 -10.315 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.190 2.570 -9.616 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.316 1.133 -10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.532 4.698 -12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.780 4.453 -10.745 1.00 0.00 H new ATOM 551 N GLN A 36 6.008 -0.609 -10.735 1.00 0.00 N ATOM 552 CA GLN A 36 5.550 -1.733 -11.586 1.00 0.00 C ATOM 553 C GLN A 36 4.136 -1.496 -12.170 1.00 0.00 C ATOM 554 O GLN A 36 3.778 -2.122 -13.145 1.00 0.00 O ATOM 555 CB GLN A 36 5.426 -2.962 -10.669 1.00 0.00 C ATOM 556 CG GLN A 36 6.698 -3.785 -10.767 1.00 0.00 C ATOM 557 CD GLN A 36 6.335 -5.261 -10.620 1.00 0.00 C ATOM 558 OE1 GLN A 36 6.778 -6.067 -11.406 1.00 0.00 O ATOM 559 NE2 GLN A 36 5.553 -5.689 -9.657 1.00 0.00 N ATOM 0 H GLN A 36 6.458 -0.881 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 36 6.259 -1.849 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.260 -2.647 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.565 -3.564 -10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.189 -3.610 -11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.401 -3.489 -9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.167 -5.029 -8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.331 -6.682 -9.584 1.00 0.00 H new ATOM 568 N PHE A 37 3.362 -0.626 -11.599 1.00 0.00 N ATOM 569 CA PHE A 37 1.948 -0.259 -12.023 1.00 0.00 C ATOM 570 C PHE A 37 1.832 1.022 -12.849 1.00 0.00 C ATOM 571 O PHE A 37 2.194 2.103 -12.395 1.00 0.00 O ATOM 572 CB PHE A 37 1.121 -0.213 -10.697 1.00 0.00 C ATOM 573 CG PHE A 37 1.276 -1.610 -10.111 1.00 0.00 C ATOM 574 CD1 PHE A 37 0.415 -2.649 -10.431 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.366 -1.794 -9.225 1.00 0.00 C ATOM 576 CE1 PHE A 37 0.662 -3.902 -9.843 1.00 0.00 C ATOM 577 CE2 PHE A 37 2.597 -3.037 -8.653 1.00 0.00 C ATOM 578 CZ PHE A 37 1.735 -4.106 -8.964 1.00 0.00 C ATOM 0 H PHE A 37 3.666 -0.099 -10.780 1.00 0.00 H new ATOM 0 HA PHE A 37 1.562 -1.003 -12.720 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.502 0.549 -10.017 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.075 0.025 -10.888 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.414 -2.501 -11.107 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.019 -0.965 -8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.008 -4.729 -10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.427 -3.183 -7.978 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.900 -5.080 -8.527 1.00 0.00 H new ATOM 588 N PRO A 38 1.318 0.873 -14.054 1.00 0.00 N ATOM 589 CA PRO A 38 1.093 1.968 -15.052 1.00 0.00 C ATOM 590 C PRO A 38 0.022 2.920 -14.450 1.00 0.00 C ATOM 591 O PRO A 38 -1.159 2.852 -14.734 1.00 0.00 O ATOM 592 CB PRO A 38 0.470 1.335 -16.276 1.00 0.00 C ATOM 593 CG PRO A 38 -0.235 0.100 -15.682 1.00 0.00 C ATOM 594 CD PRO A 38 0.846 -0.372 -14.691 1.00 0.00 C ATOM 0 HA PRO A 38 2.019 2.491 -15.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.233 2.007 -16.769 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.220 1.058 -17.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.173 0.353 -15.187 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.466 -0.652 -16.437 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.438 -1.066 -13.956 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.657 -0.890 -15.203 1.00 0.00 H new ATOM 602 N GLY A 39 0.516 3.785 -13.613 1.00 0.00 N ATOM 603 CA GLY A 39 -0.393 4.759 -12.941 1.00 0.00 C ATOM 604 C GLY A 39 0.387 5.380 -11.766 1.00 0.00 C ATOM 605 O GLY A 39 0.124 6.520 -11.486 1.00 0.00 O ATOM 0 H GLY A 39 1.502 3.862 -13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.713 5.531 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.294 4.260 -12.583 1.00 0.00 H new ATOM 609 N PHE A 40 1.246 4.612 -11.197 1.00 0.00 N ATOM 610 CA PHE A 40 2.120 4.982 -10.055 1.00 0.00 C ATOM 611 C PHE A 40 2.024 6.446 -9.725 1.00 0.00 C ATOM 612 O PHE A 40 2.635 7.256 -10.374 1.00 0.00 O ATOM 613 CB PHE A 40 3.557 4.594 -10.474 1.00 0.00 C ATOM 614 CG PHE A 40 4.602 5.386 -9.743 1.00 0.00 C ATOM 615 CD1 PHE A 40 4.760 5.177 -8.370 1.00 0.00 C ATOM 616 CD2 PHE A 40 5.377 6.304 -10.465 1.00 0.00 C ATOM 617 CE1 PHE A 40 5.725 5.917 -7.699 1.00 0.00 C ATOM 618 CE2 PHE A 40 6.342 7.037 -9.775 1.00 0.00 C ATOM 619 CZ PHE A 40 6.521 6.848 -8.387 1.00 0.00 C ATOM 0 H PHE A 40 1.394 3.651 -11.504 1.00 0.00 H new ATOM 0 HA PHE A 40 1.814 4.459 -9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.713 3.532 -10.286 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.673 4.748 -11.547 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.148 4.459 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.231 6.440 -11.526 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.865 5.775 -6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.955 7.752 -10.304 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.268 7.418 -7.855 1.00 0.00 H new ATOM 629 N LYS A 41 1.267 6.864 -8.755 1.00 0.00 N ATOM 630 CA LYS A 41 1.161 8.323 -8.484 1.00 0.00 C ATOM 631 C LYS A 41 2.135 8.856 -7.454 1.00 0.00 C ATOM 632 O LYS A 41 3.003 9.643 -7.796 1.00 0.00 O ATOM 633 CB LYS A 41 -0.257 8.582 -7.945 1.00 0.00 C ATOM 634 CG LYS A 41 -0.840 9.894 -8.417 1.00 0.00 C ATOM 635 CD LYS A 41 -1.554 10.513 -7.195 1.00 0.00 C ATOM 636 CE LYS A 41 -2.966 9.947 -7.098 1.00 0.00 C ATOM 637 NZ LYS A 41 -3.804 10.722 -6.135 1.00 0.00 N ATOM 0 H LYS A 41 0.719 6.263 -8.139 1.00 0.00 H new ATOM 0 HA LYS A 41 1.390 8.831 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.912 7.768 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.232 8.573 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.058 10.557 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.540 9.736 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.998 10.292 -6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.590 11.598 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.433 9.963 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.920 8.904 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.758 10.309 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.371 10.686 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.868 11.711 -6.449 1.00 0.00 H new ATOM 651 N GLU A 42 2.028 8.469 -6.218 1.00 0.00 N ATOM 652 CA GLU A 42 2.946 8.967 -5.184 1.00 0.00 C ATOM 653 C GLU A 42 3.350 7.771 -4.302 1.00 0.00 C ATOM 654 O GLU A 42 2.591 6.836 -4.208 1.00 0.00 O ATOM 655 CB GLU A 42 2.356 10.031 -4.272 1.00 0.00 C ATOM 656 CG GLU A 42 1.767 11.219 -5.062 1.00 0.00 C ATOM 657 CD GLU A 42 2.789 11.795 -6.047 1.00 0.00 C ATOM 658 OE1 GLU A 42 3.964 11.650 -5.720 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.441 12.346 -7.069 1.00 0.00 O ATOM 0 H GLU A 42 1.323 7.813 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 42 3.783 9.431 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.576 9.585 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.129 10.395 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.880 10.893 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.449 11.997 -4.369 1.00 0.00 H new ATOM 666 N VAL A 43 4.504 7.866 -3.723 1.00 0.00 N ATOM 667 CA VAL A 43 5.105 6.833 -2.871 1.00 0.00 C ATOM 668 C VAL A 43 6.114 7.534 -1.947 1.00 0.00 C ATOM 669 O VAL A 43 7.094 8.093 -2.367 1.00 0.00 O ATOM 670 CB VAL A 43 5.812 5.754 -3.681 1.00 0.00 C ATOM 671 CG1 VAL A 43 6.507 4.759 -2.724 1.00 0.00 C ATOM 672 CG2 VAL A 43 4.837 5.014 -4.612 1.00 0.00 C ATOM 0 H VAL A 43 5.095 8.691 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 43 4.318 6.334 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 43 6.561 6.235 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.012 3.988 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.237 5.291 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.762 4.296 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.378 4.252 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.055 4.541 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.386 5.724 -5.305 1.00 0.00 H new ATOM 682 N ARG A 44 5.757 7.452 -0.696 1.00 0.00 N ATOM 683 CA ARG A 44 6.550 8.071 0.365 1.00 0.00 C ATOM 684 C ARG A 44 6.746 6.984 1.443 1.00 0.00 C ATOM 685 O ARG A 44 5.832 6.628 2.168 1.00 0.00 O ATOM 686 CB ARG A 44 5.912 9.264 1.045 1.00 0.00 C ATOM 687 CG ARG A 44 7.034 9.877 1.916 1.00 0.00 C ATOM 688 CD ARG A 44 6.420 10.921 2.823 1.00 0.00 C ATOM 689 NE ARG A 44 5.191 10.278 3.411 1.00 0.00 N ATOM 690 CZ ARG A 44 4.124 10.967 3.636 1.00 0.00 C ATOM 691 NH1 ARG A 44 3.554 11.630 2.669 1.00 0.00 N ATOM 692 NH2 ARG A 44 3.582 11.027 4.817 1.00 0.00 N ATOM 0 H ARG A 44 4.922 6.964 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 44 7.465 8.443 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.542 9.983 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.060 8.962 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.522 9.101 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.801 10.327 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.118 11.219 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.162 11.821 2.265 1.00 0.00 H new ATOM 0 HE ARG A 44 5.203 9.283 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.952 11.605 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.710 12.174 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.001 10.520 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.738 11.581 4.963 1.00 0.00 H new ATOM 706 N LEU A 45 7.942 6.506 1.453 1.00 0.00 N ATOM 707 CA LEU A 45 8.410 5.436 2.357 1.00 0.00 C ATOM 708 C LEU A 45 9.946 5.540 2.493 1.00 0.00 C ATOM 709 O LEU A 45 10.594 4.985 1.645 1.00 0.00 O ATOM 710 CB LEU A 45 8.089 4.098 1.670 1.00 0.00 C ATOM 711 CG LEU A 45 8.760 2.975 2.441 1.00 0.00 C ATOM 712 CD1 LEU A 45 7.816 2.513 3.563 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.931 1.762 1.500 1.00 0.00 C ATOM 0 H LEU A 45 8.670 6.841 0.821 1.00 0.00 H new ATOM 0 HA LEU A 45 7.938 5.515 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.011 3.941 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.441 4.110 0.639 1.00 0.00 H new ATOM 0 HG LEU A 45 9.715 3.325 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.286 1.706 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.610 3.349 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.882 2.156 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.412 0.947 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.953 1.435 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.549 2.047 0.648 1.00 0.00 H new ATOM 725 N VAL A 46 10.372 6.223 3.509 1.00 0.00 N ATOM 726 CA VAL A 46 11.783 6.435 3.901 1.00 0.00 C ATOM 727 C VAL A 46 12.327 7.828 3.606 1.00 0.00 C ATOM 728 O VAL A 46 13.481 7.944 3.204 1.00 0.00 O ATOM 729 CB VAL A 46 12.724 5.365 3.259 1.00 0.00 C ATOM 730 CG1 VAL A 46 14.143 5.387 3.834 1.00 0.00 C ATOM 731 CG2 VAL A 46 12.183 3.956 3.517 1.00 0.00 C ATOM 0 H VAL A 46 9.724 6.688 4.145 1.00 0.00 H new ATOM 0 HA VAL A 46 11.776 6.328 4.986 1.00 0.00 H new ATOM 0 HB VAL A 46 12.756 5.611 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.745 4.621 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.591 6.365 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.104 5.191 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.849 3.222 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.125 3.779 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.189 3.862 3.080 1.00 0.00 H new ATOM 741 N PRO A 47 11.592 8.881 3.786 1.00 0.00 N ATOM 742 CA PRO A 47 12.114 10.249 3.536 1.00 0.00 C ATOM 743 C PRO A 47 12.712 10.736 4.877 1.00 0.00 C ATOM 744 O PRO A 47 12.878 11.911 5.069 1.00 0.00 O ATOM 745 CB PRO A 47 10.858 11.045 3.258 1.00 0.00 C ATOM 746 CG PRO A 47 9.865 10.489 4.323 1.00 0.00 C ATOM 747 CD PRO A 47 10.204 8.975 4.240 1.00 0.00 C ATOM 0 HA PRO A 47 12.856 10.324 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.022 12.116 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.494 10.888 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.043 10.903 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.825 10.698 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.081 8.497 5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.534 8.466 3.547 1.00 0.00 H new ATOM 755 N GLY A 48 13.022 9.865 5.776 1.00 0.00 N ATOM 756 CA GLY A 48 13.594 10.232 7.118 1.00 0.00 C ATOM 757 C GLY A 48 12.853 9.309 8.118 1.00 0.00 C ATOM 758 O GLY A 48 13.367 8.868 9.120 1.00 0.00 O ATOM 0 H GLY A 48 12.902 8.861 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.671 10.068 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.425 11.284 7.348 1.00 0.00 H new ATOM 762 N ARG A 49 11.613 9.050 7.754 1.00 0.00 N ATOM 763 CA ARG A 49 10.702 8.172 8.507 1.00 0.00 C ATOM 764 C ARG A 49 11.170 6.704 8.322 1.00 0.00 C ATOM 765 O ARG A 49 11.725 6.191 9.249 1.00 0.00 O ATOM 766 CB ARG A 49 9.272 8.318 7.935 1.00 0.00 C ATOM 767 CG ARG A 49 8.790 9.757 8.241 1.00 0.00 C ATOM 768 CD ARG A 49 7.297 9.609 8.589 1.00 0.00 C ATOM 769 NE ARG A 49 7.222 9.042 9.974 1.00 0.00 N ATOM 770 CZ ARG A 49 6.640 9.634 10.962 1.00 0.00 C ATOM 771 NH1 ARG A 49 7.018 10.817 11.405 1.00 0.00 N ATOM 772 NH2 ARG A 49 5.635 9.086 11.576 1.00 0.00 N ATOM 0 H ARG A 49 11.191 9.445 6.914 1.00 0.00 H new ATOM 0 HA ARG A 49 10.706 8.441 9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.269 8.133 6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.602 7.586 8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.348 10.193 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.932 10.412 7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.792 10.574 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.799 8.952 7.876 1.00 0.00 H new ATOM 0 HE ARG A 49 7.656 8.135 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.800 11.301 10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.529 11.248 12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.293 8.172 11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.188 9.570 12.355 1.00 0.00 H new ATOM 786 N HIS A 50 10.862 6.180 7.163 1.00 0.00 N ATOM 787 CA HIS A 50 11.130 4.734 6.755 1.00 0.00 C ATOM 788 C HIS A 50 10.179 3.912 7.677 1.00 0.00 C ATOM 789 O HIS A 50 10.341 2.734 7.822 1.00 0.00 O ATOM 790 CB HIS A 50 12.563 4.259 6.906 1.00 0.00 C ATOM 791 CG HIS A 50 13.508 5.260 7.487 1.00 0.00 C ATOM 792 ND1 HIS A 50 14.329 4.888 8.559 1.00 0.00 N ATOM 793 CD2 HIS A 50 13.822 6.581 7.231 1.00 0.00 C ATOM 794 CE1 HIS A 50 15.056 5.958 8.875 1.00 0.00 C ATOM 795 NE2 HIS A 50 14.796 7.010 8.111 1.00 0.00 N ATOM 0 H HIS A 50 10.406 6.720 6.427 1.00 0.00 H new ATOM 0 HA HIS A 50 10.953 4.615 5.686 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.569 3.369 7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.934 3.959 5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.373 7.187 6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.784 5.968 9.673 1.00 0.00 H new ATOM 0 HE2 HIS A 50 15.223 7.935 8.162 1.00 0.00 H new ATOM 804 N ASP A 51 9.230 4.617 8.267 1.00 0.00 N ATOM 805 CA ASP A 51 8.290 3.932 9.195 1.00 0.00 C ATOM 806 C ASP A 51 6.816 4.029 8.861 1.00 0.00 C ATOM 807 O ASP A 51 6.062 3.203 9.360 1.00 0.00 O ATOM 808 CB ASP A 51 8.437 4.449 10.645 1.00 0.00 C ATOM 809 CG ASP A 51 8.236 5.946 10.695 1.00 0.00 C ATOM 810 OD1 ASP A 51 7.270 6.459 10.172 1.00 0.00 O ATOM 811 OD2 ASP A 51 9.080 6.606 11.277 1.00 0.00 O ATOM 0 H ASP A 51 9.076 5.618 8.143 1.00 0.00 H new ATOM 0 HA ASP A 51 8.589 2.890 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.708 3.956 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.425 4.196 11.030 1.00 0.00 H new ATOM 816 N ILE A 52 6.344 4.964 8.057 1.00 0.00 N ATOM 817 CA ILE A 52 4.923 5.132 7.709 1.00 0.00 C ATOM 818 C ILE A 52 4.931 5.257 6.168 1.00 0.00 C ATOM 819 O ILE A 52 5.545 6.139 5.607 1.00 0.00 O ATOM 820 CB ILE A 52 4.233 6.288 8.405 1.00 0.00 C ATOM 821 CG1 ILE A 52 4.984 7.603 8.202 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.013 5.995 9.906 1.00 0.00 C ATOM 823 CD1 ILE A 52 4.107 8.552 7.371 1.00 0.00 C ATOM 0 H ILE A 52 6.947 5.654 7.609 1.00 0.00 H new ATOM 0 HA ILE A 52 4.327 4.288 8.057 1.00 0.00 H new ATOM 0 HB ILE A 52 3.252 6.400 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.221 8.055 9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.931 7.422 7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.516 6.845 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.392 5.106 10.016 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.976 5.827 10.389 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.633 9.495 7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.893 8.097 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.172 8.739 7.899 1.00 0.00 H new ATOM 835 N ALA A 53 4.266 4.324 5.536 1.00 0.00 N ATOM 836 CA ALA A 53 4.249 4.227 4.064 1.00 0.00 C ATOM 837 C ALA A 53 2.907 4.692 3.450 1.00 0.00 C ATOM 838 O ALA A 53 1.852 4.102 3.706 1.00 0.00 O ATOM 839 CB ALA A 53 4.450 2.799 3.566 1.00 0.00 C ATOM 0 H ALA A 53 3.718 3.604 6.007 1.00 0.00 H new ATOM 0 HA ALA A 53 5.070 4.873 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.428 2.787 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.413 2.424 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.653 2.164 3.951 1.00 0.00 H new ATOM 845 N PHE A 54 3.051 5.747 2.717 1.00 0.00 N ATOM 846 CA PHE A 54 1.936 6.443 1.980 1.00 0.00 C ATOM 847 C PHE A 54 2.142 6.351 0.447 1.00 0.00 C ATOM 848 O PHE A 54 2.985 6.973 -0.151 1.00 0.00 O ATOM 849 CB PHE A 54 1.973 7.923 2.324 1.00 0.00 C ATOM 850 CG PHE A 54 0.574 8.424 2.568 1.00 0.00 C ATOM 851 CD1 PHE A 54 -0.148 8.870 1.440 1.00 0.00 C ATOM 852 CD2 PHE A 54 0.005 8.449 3.837 1.00 0.00 C ATOM 853 CE1 PHE A 54 -1.458 9.341 1.617 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.315 8.924 4.023 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.024 9.366 2.886 1.00 0.00 C ATOM 0 H PHE A 54 3.957 6.196 2.582 1.00 0.00 H new ATOM 0 HA PHE A 54 0.997 5.969 2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.587 8.085 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.433 8.484 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.300 8.849 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.575 8.103 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.027 9.685 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.765 8.947 5.004 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.033 9.733 3.005 1.00 0.00 H new ATOM 865 N VAL A 55 1.315 5.469 -0.122 1.00 0.00 N ATOM 866 CA VAL A 55 1.356 5.096 -1.542 1.00 0.00 C ATOM 867 C VAL A 55 0.004 5.348 -2.212 1.00 0.00 C ATOM 868 O VAL A 55 -1.031 4.744 -2.058 1.00 0.00 O ATOM 869 CB VAL A 55 1.598 3.562 -1.611 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.744 3.074 -3.032 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.814 3.242 -0.740 1.00 0.00 C ATOM 0 H VAL A 55 0.584 4.985 0.400 1.00 0.00 H new ATOM 0 HA VAL A 55 2.132 5.679 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 55 0.731 3.027 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.912 1.997 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.835 3.300 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.591 3.573 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.010 2.170 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.684 3.780 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.616 3.548 0.287 1.00 0.00 H new ATOM 881 N GLU A 56 0.080 6.353 -3.062 1.00 0.00 N ATOM 882 CA GLU A 56 -1.007 6.911 -3.877 1.00 0.00 C ATOM 883 C GLU A 56 -0.919 6.345 -5.316 1.00 0.00 C ATOM 884 O GLU A 56 -0.036 6.594 -6.082 1.00 0.00 O ATOM 885 CB GLU A 56 -0.882 8.446 -4.051 1.00 0.00 C ATOM 886 CG GLU A 56 -1.437 9.200 -2.842 1.00 0.00 C ATOM 887 CD GLU A 56 -0.787 10.586 -2.723 1.00 0.00 C ATOM 888 OE1 GLU A 56 -1.242 11.484 -3.394 1.00 0.00 O ATOM 889 OE2 GLU A 56 0.154 10.710 -1.956 1.00 0.00 O ATOM 0 H GLU A 56 0.961 6.843 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.933 6.652 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.165 8.712 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.417 8.755 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.518 9.306 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.253 8.627 -1.933 1.00 0.00 H new ATOM 896 N PHE A 57 -1.856 5.512 -5.596 1.00 0.00 N ATOM 897 CA PHE A 57 -1.981 4.748 -6.877 1.00 0.00 C ATOM 898 C PHE A 57 -3.192 5.242 -7.704 1.00 0.00 C ATOM 899 O PHE A 57 -4.291 4.920 -7.356 1.00 0.00 O ATOM 900 CB PHE A 57 -2.248 3.279 -6.549 1.00 0.00 C ATOM 901 CG PHE A 57 -0.909 2.550 -6.529 1.00 0.00 C ATOM 902 CD1 PHE A 57 -0.232 2.478 -7.744 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.383 1.988 -5.373 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.010 1.807 -7.735 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.846 1.324 -5.371 1.00 0.00 C ATOM 906 CZ PHE A 57 1.541 1.239 -6.569 1.00 0.00 C ATOM 0 H PHE A 57 -2.609 5.305 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.059 4.886 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.746 3.188 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.912 2.837 -7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.636 2.913 -8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.939 2.066 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.569 1.729 -8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.243 0.890 -4.465 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.495 0.733 -6.603 1.00 0.00 H new ATOM 916 N ASP A 58 -2.852 5.993 -8.687 1.00 0.00 N ATOM 917 CA ASP A 58 -3.819 6.641 -9.634 1.00 0.00 C ATOM 918 C ASP A 58 -5.150 5.923 -9.678 1.00 0.00 C ATOM 919 O ASP A 58 -6.205 6.536 -9.670 1.00 0.00 O ATOM 920 CB ASP A 58 -3.180 6.781 -11.034 1.00 0.00 C ATOM 921 CG ASP A 58 -3.682 8.023 -11.758 1.00 0.00 C ATOM 922 OD1 ASP A 58 -3.346 9.100 -11.262 1.00 0.00 O ATOM 923 OD2 ASP A 58 -4.361 7.917 -12.758 1.00 0.00 O ATOM 0 H ASP A 58 -1.878 6.209 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.038 7.642 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.095 6.830 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.407 5.896 -11.628 1.00 0.00 H new ATOM 928 N ASN A 59 -5.108 4.620 -9.722 1.00 0.00 N ATOM 929 CA ASN A 59 -6.372 3.831 -9.756 1.00 0.00 C ATOM 930 C ASN A 59 -6.196 2.684 -8.734 1.00 0.00 C ATOM 931 O ASN A 59 -5.095 2.279 -8.554 1.00 0.00 O ATOM 932 CB ASN A 59 -6.654 3.325 -11.156 1.00 0.00 C ATOM 933 CG ASN A 59 -7.528 2.078 -11.148 1.00 0.00 C ATOM 934 OD1 ASN A 59 -6.984 0.981 -11.102 1.00 0.00 O ATOM 935 ND2 ASN A 59 -8.826 2.182 -11.183 1.00 0.00 N ATOM 0 H ASN A 59 -4.251 4.066 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.236 4.439 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.146 4.109 -11.732 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.712 3.104 -11.658 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.405 1.343 -11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.263 3.103 -11.221 1.00 0.00 H new ATOM 942 N GLU A 60 -7.268 2.273 -8.160 1.00 0.00 N ATOM 943 CA GLU A 60 -7.370 1.185 -7.140 1.00 0.00 C ATOM 944 C GLU A 60 -7.204 -0.190 -7.784 1.00 0.00 C ATOM 945 O GLU A 60 -6.911 -1.147 -7.129 1.00 0.00 O ATOM 946 CB GLU A 60 -8.679 1.294 -6.335 1.00 0.00 C ATOM 947 CG GLU A 60 -8.996 -0.055 -5.649 1.00 0.00 C ATOM 948 CD GLU A 60 -10.132 0.166 -4.662 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.163 0.642 -5.099 1.00 0.00 O ATOM 950 OE2 GLU A 60 -9.905 -0.153 -3.502 1.00 0.00 O ATOM 0 H GLU A 60 -8.177 2.685 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.551 1.309 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.589 2.080 -5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.499 1.576 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.278 -0.801 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.114 -0.435 -5.134 1.00 0.00 H new ATOM 957 N VAL A 61 -7.376 -0.420 -9.072 1.00 0.00 N ATOM 958 CA VAL A 61 -7.099 -1.810 -9.608 1.00 0.00 C ATOM 959 C VAL A 61 -5.544 -1.906 -9.621 1.00 0.00 C ATOM 960 O VAL A 61 -4.902 -2.899 -9.374 1.00 0.00 O ATOM 961 CB VAL A 61 -7.594 -1.994 -11.030 1.00 0.00 C ATOM 962 CG1 VAL A 61 -7.192 -3.398 -11.522 1.00 0.00 C ATOM 963 CG2 VAL A 61 -9.128 -1.961 -11.026 1.00 0.00 C ATOM 0 H VAL A 61 -7.686 0.267 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.601 -2.563 -9.001 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.174 -1.212 -11.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.544 -3.540 -12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.107 -3.496 -11.495 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.641 -4.152 -10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.497 -2.092 -12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.508 -2.765 -10.395 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.470 -1.002 -10.637 1.00 0.00 H new ATOM 973 N GLN A 62 -4.987 -0.742 -9.903 1.00 0.00 N ATOM 974 CA GLN A 62 -3.511 -0.633 -9.907 1.00 0.00 C ATOM 975 C GLN A 62 -3.012 -0.492 -8.454 1.00 0.00 C ATOM 976 O GLN A 62 -1.934 -0.952 -8.089 1.00 0.00 O ATOM 977 CB GLN A 62 -2.917 0.553 -10.675 1.00 0.00 C ATOM 978 CG GLN A 62 -3.856 1.250 -11.648 1.00 0.00 C ATOM 979 CD GLN A 62 -3.359 2.688 -11.968 1.00 0.00 C ATOM 980 OE1 GLN A 62 -3.013 3.460 -11.091 1.00 0.00 O ATOM 981 NE2 GLN A 62 -3.324 3.055 -13.225 1.00 0.00 N ATOM 0 H GLN A 62 -5.493 0.115 -10.125 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.183 -1.540 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.562 1.288 -9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.045 0.203 -11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.925 0.672 -12.569 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.859 1.294 -11.223 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.615 2.404 -13.955 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.006 3.992 -13.474 1.00 0.00 H new ATOM 990 N ALA A 63 -3.753 0.130 -7.599 1.00 0.00 N ATOM 991 CA ALA A 63 -3.340 0.349 -6.176 1.00 0.00 C ATOM 992 C ALA A 63 -3.448 -1.071 -5.584 1.00 0.00 C ATOM 993 O ALA A 63 -2.586 -1.604 -4.933 1.00 0.00 O ATOM 994 CB ALA A 63 -4.307 1.260 -5.442 1.00 0.00 C ATOM 0 H ALA A 63 -4.669 0.516 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.358 0.815 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.972 1.393 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.344 2.229 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.301 0.813 -5.444 1.00 0.00 H new ATOM 1000 N GLY A 64 -4.578 -1.639 -5.885 1.00 0.00 N ATOM 1001 CA GLY A 64 -4.964 -3.027 -5.480 1.00 0.00 C ATOM 1002 C GLY A 64 -3.937 -3.987 -6.070 1.00 0.00 C ATOM 1003 O GLY A 64 -3.591 -4.970 -5.442 1.00 0.00 O ATOM 0 H GLY A 64 -5.299 -1.168 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.989 -3.115 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.964 -3.267 -5.843 1.00 0.00 H new ATOM 1007 N ALA A 65 -3.450 -3.741 -7.239 1.00 0.00 N ATOM 1008 CA ALA A 65 -2.443 -4.699 -7.782 1.00 0.00 C ATOM 1009 C ALA A 65 -1.154 -4.528 -7.008 1.00 0.00 C ATOM 1010 O ALA A 65 -0.594 -5.450 -6.427 1.00 0.00 O ATOM 1011 CB ALA A 65 -2.273 -4.458 -9.291 1.00 0.00 C ATOM 0 H ALA A 65 -3.688 -2.948 -7.834 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.769 -5.732 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.538 -5.157 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.228 -4.610 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.932 -3.437 -9.460 1.00 0.00 H new ATOM 1017 N ALA A 66 -0.582 -3.336 -6.933 1.00 0.00 N ATOM 1018 CA ALA A 66 0.690 -3.074 -6.202 1.00 0.00 C ATOM 1019 C ALA A 66 0.574 -3.501 -4.766 1.00 0.00 C ATOM 1020 O ALA A 66 1.500 -4.040 -4.171 1.00 0.00 O ATOM 1021 CB ALA A 66 0.975 -1.560 -6.210 1.00 0.00 C ATOM 0 H ALA A 66 -0.975 -2.505 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 66 1.487 -3.632 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.905 -1.362 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.066 -1.212 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.156 -1.033 -5.720 1.00 0.00 H new ATOM 1027 N ARG A 67 -0.573 -3.274 -4.205 1.00 0.00 N ATOM 1028 CA ARG A 67 -0.871 -3.649 -2.794 1.00 0.00 C ATOM 1029 C ARG A 67 -0.949 -5.169 -2.799 1.00 0.00 C ATOM 1030 O ARG A 67 -0.263 -5.788 -2.043 1.00 0.00 O ATOM 1031 CB ARG A 67 -2.244 -3.084 -2.417 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.538 -3.211 -0.900 1.00 0.00 C ATOM 1033 CD ARG A 67 -2.895 -4.670 -0.605 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.249 -4.786 0.011 1.00 0.00 N ATOM 1035 CZ ARG A 67 -4.368 -4.947 1.289 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -4.401 -3.895 2.069 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.456 -6.161 1.785 1.00 0.00 N ATOM 0 H ARG A 67 -1.352 -2.824 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.126 -3.272 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.295 -2.035 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.017 -3.608 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.669 -2.907 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.359 -2.553 -0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.863 -5.248 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.151 -5.100 0.065 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.082 -4.738 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.333 -2.960 1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.495 -4.011 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.430 -6.969 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.550 -6.295 2.792 1.00 0.00 H new ATOM 1051 N ASP A 68 -1.742 -5.786 -3.623 1.00 0.00 N ATOM 1052 CA ASP A 68 -1.885 -7.261 -3.716 1.00 0.00 C ATOM 1053 C ASP A 68 -0.542 -7.995 -3.898 1.00 0.00 C ATOM 1054 O ASP A 68 -0.307 -9.110 -3.519 1.00 0.00 O ATOM 1055 CB ASP A 68 -2.790 -7.648 -4.905 1.00 0.00 C ATOM 1056 CG ASP A 68 -4.258 -7.534 -4.494 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -4.580 -7.438 -3.334 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -5.062 -7.554 -5.425 1.00 0.00 O ATOM 0 H ASP A 68 -2.339 -5.287 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.324 -7.567 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.589 -6.996 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.570 -8.666 -5.225 1.00 0.00 H new ATOM 1063 N ALA A 69 0.371 -7.271 -4.514 1.00 0.00 N ATOM 1064 CA ALA A 69 1.747 -7.834 -4.746 1.00 0.00 C ATOM 1065 C ALA A 69 2.480 -7.734 -3.388 1.00 0.00 C ATOM 1066 O ALA A 69 2.949 -8.706 -2.837 1.00 0.00 O ATOM 1067 CB ALA A 69 2.481 -7.088 -5.838 1.00 0.00 C ATOM 0 H ALA A 69 0.225 -6.324 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 69 1.697 -8.867 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.470 -7.525 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.920 -7.161 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.583 -6.040 -5.557 1.00 0.00 H new ATOM 1073 N LEU A 70 2.545 -6.516 -2.881 1.00 0.00 N ATOM 1074 CA LEU A 70 3.222 -6.341 -1.539 1.00 0.00 C ATOM 1075 C LEU A 70 2.064 -6.016 -0.561 1.00 0.00 C ATOM 1076 O LEU A 70 1.974 -4.952 -0.007 1.00 0.00 O ATOM 1077 CB LEU A 70 4.275 -5.244 -1.531 1.00 0.00 C ATOM 1078 CG LEU A 70 3.762 -3.975 -2.216 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.396 -2.770 -1.506 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.298 -3.981 -3.637 1.00 0.00 C ATOM 0 H LEU A 70 2.177 -5.668 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 70 3.775 -7.239 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.558 -5.016 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.173 -5.596 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 70 2.673 -3.927 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.049 -1.848 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.109 -2.775 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.481 -2.830 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.953 -3.089 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.388 -3.990 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.939 -4.869 -4.158 1.00 0.00 H new ATOM 1092 N GLN A 71 1.204 -7.003 -0.408 1.00 0.00 N ATOM 1093 CA GLN A 71 -0.001 -6.908 0.476 1.00 0.00 C ATOM 1094 C GLN A 71 0.311 -7.257 1.939 1.00 0.00 C ATOM 1095 O GLN A 71 -0.578 -7.432 2.759 1.00 0.00 O ATOM 1096 CB GLN A 71 -1.095 -7.826 -0.090 1.00 0.00 C ATOM 1097 CG GLN A 71 -0.498 -9.241 -0.225 1.00 0.00 C ATOM 1098 CD GLN A 71 -1.558 -10.292 0.034 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -1.746 -11.160 -0.802 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -2.243 -10.248 1.141 1.00 0.00 N ATOM 0 H GLN A 71 1.297 -7.902 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.345 -5.874 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.962 -7.839 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.437 -7.461 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.083 -9.373 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.324 -9.364 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.064 -9.510 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.958 -10.951 1.326 1.00 0.00 H new ATOM 1109 N GLY A 72 1.579 -7.342 2.221 1.00 0.00 N ATOM 1110 CA GLY A 72 2.054 -7.674 3.598 1.00 0.00 C ATOM 1111 C GLY A 72 3.548 -8.040 3.455 1.00 0.00 C ATOM 1112 O GLY A 72 3.987 -9.050 3.932 1.00 0.00 O ATOM 0 H GLY A 72 2.325 -7.193 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.922 -6.827 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.487 -8.505 4.017 1.00 0.00 H new ATOM 1116 N PHE A 73 4.222 -7.153 2.781 1.00 0.00 N ATOM 1117 CA PHE A 73 5.678 -7.271 2.492 1.00 0.00 C ATOM 1118 C PHE A 73 6.406 -7.748 3.759 1.00 0.00 C ATOM 1119 O PHE A 73 6.777 -6.919 4.545 1.00 0.00 O ATOM 1120 CB PHE A 73 6.275 -5.970 1.971 1.00 0.00 C ATOM 1121 CG PHE A 73 7.781 -6.078 2.030 1.00 0.00 C ATOM 1122 CD1 PHE A 73 8.442 -7.253 1.678 1.00 0.00 C ATOM 1123 CD2 PHE A 73 8.506 -4.959 2.450 1.00 0.00 C ATOM 1124 CE1 PHE A 73 9.831 -7.303 1.747 1.00 0.00 C ATOM 1125 CE2 PHE A 73 9.914 -5.029 2.514 1.00 0.00 C ATOM 1126 CZ PHE A 73 10.591 -6.207 2.161 1.00 0.00 C ATOM 0 H PHE A 73 3.799 -6.307 2.399 1.00 0.00 H new ATOM 0 HA PHE A 73 5.810 -8.004 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.948 -5.786 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.931 -5.128 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.881 -8.117 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.993 -4.049 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.336 -8.217 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.477 -4.166 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.668 -6.264 2.208 1.00 0.00 H new ATOM 1136 N LYS A 74 6.548 -9.028 3.853 1.00 0.00 N ATOM 1137 CA LYS A 74 7.229 -9.697 5.010 1.00 0.00 C ATOM 1138 C LYS A 74 8.653 -9.132 5.043 1.00 0.00 C ATOM 1139 O LYS A 74 9.541 -9.756 4.521 1.00 0.00 O ATOM 1140 CB LYS A 74 7.306 -11.206 4.774 1.00 0.00 C ATOM 1141 CG LYS A 74 7.675 -11.506 3.317 1.00 0.00 C ATOM 1142 CD LYS A 74 8.880 -12.446 3.207 1.00 0.00 C ATOM 1143 CE LYS A 74 9.014 -12.926 1.757 1.00 0.00 C ATOM 1144 NZ LYS A 74 8.666 -11.839 0.811 1.00 0.00 N ATOM 0 H LYS A 74 6.207 -9.680 3.146 1.00 0.00 H new ATOM 0 HA LYS A 74 6.688 -9.520 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.047 -11.646 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.348 -11.667 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.819 -11.954 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.896 -10.572 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.789 -11.930 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.754 -13.298 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.034 -13.262 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.361 -13.783 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.984 -12.096 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.635 -11.699 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.134 -10.958 1.107 1.00 0.00 H new ATOM 1158 N ILE A 75 8.784 -7.992 5.652 1.00 0.00 N ATOM 1159 CA ILE A 75 10.107 -7.303 5.772 1.00 0.00 C ATOM 1160 C ILE A 75 11.089 -8.284 6.398 1.00 0.00 C ATOM 1161 O ILE A 75 12.280 -8.236 6.170 1.00 0.00 O ATOM 1162 CB ILE A 75 9.930 -6.066 6.662 1.00 0.00 C ATOM 1163 CG1 ILE A 75 8.908 -5.155 5.966 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.260 -5.325 6.753 1.00 0.00 C ATOM 1165 CD1 ILE A 75 8.870 -3.824 6.731 1.00 0.00 C ATOM 0 H ILE A 75 8.010 -7.490 6.086 1.00 0.00 H new ATOM 0 HA ILE A 75 10.485 -6.985 4.800 1.00 0.00 H new ATOM 0 HB ILE A 75 9.599 -6.346 7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.189 -4.990 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.923 -5.621 5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.143 -4.444 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.014 -5.983 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.574 -5.018 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.151 -3.154 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.573 -4.006 7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.859 -3.366 6.713 1.00 0.00 H new ATOM 1177 N THR A 76 10.540 -9.174 7.198 1.00 0.00 N ATOM 1178 CA THR A 76 11.446 -10.162 7.841 1.00 0.00 C ATOM 1179 C THR A 76 10.869 -11.592 7.700 1.00 0.00 C ATOM 1180 O THR A 76 11.513 -12.465 7.169 1.00 0.00 O ATOM 1181 CB THR A 76 11.556 -9.848 9.348 1.00 0.00 C ATOM 1182 OG1 THR A 76 11.975 -8.518 9.544 1.00 0.00 O ATOM 1183 CG2 THR A 76 12.588 -10.782 9.988 1.00 0.00 C ATOM 0 H THR A 76 9.548 -9.253 7.422 1.00 0.00 H new ATOM 0 HA THR A 76 12.421 -10.103 7.356 1.00 0.00 H new ATOM 0 HB THR A 76 10.577 -9.991 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.038 -8.333 10.504 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.667 -10.562 11.053 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.274 -11.817 9.854 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.558 -10.632 9.513 1.00 0.00 H new ATOM 1191 N GLN A 77 9.686 -11.756 8.189 1.00 0.00 N ATOM 1192 CA GLN A 77 8.952 -13.070 8.160 1.00 0.00 C ATOM 1193 C GLN A 77 7.741 -12.888 9.108 1.00 0.00 C ATOM 1194 O GLN A 77 6.632 -13.252 8.810 1.00 0.00 O ATOM 1195 CB GLN A 77 9.802 -14.178 8.734 1.00 0.00 C ATOM 1196 CG GLN A 77 9.041 -15.522 8.688 1.00 0.00 C ATOM 1197 CD GLN A 77 8.149 -15.720 9.895 1.00 0.00 C ATOM 1198 OE1 GLN A 77 6.846 -15.686 9.733 1.00 0.00 O flip ATOM 1199 NE2 GLN A 77 8.607 -15.905 11.005 1.00 0.00 N flip ATOM 0 H GLN A 77 9.159 -11.004 8.633 1.00 0.00 H new ATOM 0 HA GLN A 77 8.680 -13.329 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.732 -14.260 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.072 -13.941 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.437 -15.564 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.758 -16.341 8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.617 -15.933 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.981 -16.032 11.800 1.00 0.00 H new ATOM 1208 N ASN A 78 8.049 -12.303 10.230 1.00 0.00 N ATOM 1209 CA ASN A 78 7.047 -11.998 11.302 1.00 0.00 C ATOM 1210 C ASN A 78 6.722 -10.492 11.147 1.00 0.00 C ATOM 1211 O ASN A 78 5.643 -10.012 11.404 1.00 0.00 O ATOM 1212 CB ASN A 78 7.592 -12.319 12.686 1.00 0.00 C ATOM 1213 CG ASN A 78 9.021 -11.780 12.783 1.00 0.00 C ATOM 1214 OD1 ASN A 78 10.024 -12.426 12.234 1.00 0.00 O flip ATOM 1215 ND2 ASN A 78 9.200 -10.743 13.381 1.00 0.00 N flip ATOM 0 H ASN A 78 8.998 -12.009 10.462 1.00 0.00 H new ATOM 0 HA ASN A 78 6.151 -12.610 11.199 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.964 -11.868 13.454 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.581 -13.395 12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.410 -10.254 13.802 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.141 -10.358 13.464 1.00 0.00 H new ATOM 1222 N ASN A 79 7.733 -9.777 10.705 1.00 0.00 N ATOM 1223 CA ASN A 79 7.620 -8.292 10.474 1.00 0.00 C ATOM 1224 C ASN A 79 7.131 -8.145 9.013 1.00 0.00 C ATOM 1225 O ASN A 79 7.901 -8.413 8.101 1.00 0.00 O ATOM 1226 CB ASN A 79 8.984 -7.654 10.609 1.00 0.00 C ATOM 1227 CG ASN A 79 9.215 -7.063 12.011 1.00 0.00 C ATOM 1228 OD1 ASN A 79 9.915 -7.719 12.889 1.00 0.00 O flip ATOM 1229 ND2 ASN A 79 8.751 -5.993 12.331 1.00 0.00 N flip ATOM 0 H ASN A 79 8.651 -10.166 10.490 1.00 0.00 H new ATOM 0 HA ASN A 79 6.948 -7.816 11.187 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.753 -8.397 10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.090 -6.866 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.198 -5.457 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.913 -5.627 13.269 1.00 0.00 H new ATOM 1236 N ALA A 80 5.909 -7.747 8.850 1.00 0.00 N ATOM 1237 CA ALA A 80 5.355 -7.592 7.466 1.00 0.00 C ATOM 1238 C ALA A 80 4.675 -6.229 7.407 1.00 0.00 C ATOM 1239 O ALA A 80 3.858 -5.888 8.232 1.00 0.00 O ATOM 1240 CB ALA A 80 4.307 -8.686 7.230 1.00 0.00 C ATOM 0 H ALA A 80 5.263 -7.520 9.606 1.00 0.00 H new ATOM 0 HA ALA A 80 6.139 -7.672 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.895 -8.585 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.774 -9.665 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.506 -8.586 7.962 1.00 0.00 H new ATOM 1246 N MET A 81 5.045 -5.471 6.410 1.00 0.00 N ATOM 1247 CA MET A 81 4.468 -4.121 6.240 1.00 0.00 C ATOM 1248 C MET A 81 2.946 -4.106 6.280 1.00 0.00 C ATOM 1249 O MET A 81 2.318 -5.067 5.852 1.00 0.00 O ATOM 1250 CB MET A 81 4.901 -3.606 4.848 1.00 0.00 C ATOM 1251 CG MET A 81 3.758 -2.901 4.133 1.00 0.00 C ATOM 1252 SD MET A 81 4.412 -2.122 2.621 1.00 0.00 S ATOM 1253 CE MET A 81 3.393 -3.030 1.451 1.00 0.00 C ATOM 0 H MET A 81 5.730 -5.739 5.703 1.00 0.00 H new ATOM 0 HA MET A 81 4.825 -3.502 7.063 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.741 -2.920 4.958 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.250 -4.442 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.972 -3.613 3.882 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.311 -2.149 4.783 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.209 -2.412 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.908 -3.942 1.151 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.443 -3.287 1.919 1.00 0.00 H new ATOM 1263 N LYS A 82 2.291 -3.060 6.762 1.00 0.00 N ATOM 1264 CA LYS A 82 0.824 -2.977 6.801 1.00 0.00 C ATOM 1265 C LYS A 82 0.435 -1.609 6.161 1.00 0.00 C ATOM 1266 O LYS A 82 0.913 -0.627 6.670 1.00 0.00 O ATOM 1267 CB LYS A 82 0.310 -3.184 8.223 1.00 0.00 C ATOM 1268 CG LYS A 82 0.612 -4.646 8.644 1.00 0.00 C ATOM 1269 CD LYS A 82 0.354 -4.856 10.131 1.00 0.00 C ATOM 1270 CE LYS A 82 -1.084 -4.434 10.435 1.00 0.00 C ATOM 1271 NZ LYS A 82 -1.623 -5.354 11.463 1.00 0.00 N ATOM 0 H LYS A 82 2.758 -2.236 7.141 1.00 0.00 H new ATOM 0 HA LYS A 82 0.346 -3.771 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.792 -2.485 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.761 -2.989 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.009 -5.330 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.650 -4.886 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.507 -5.901 10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.055 -4.269 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.112 -3.405 10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.692 -4.474 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.603 -5.087 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.604 -6.329 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.041 -5.293 12.323 1.00 0.00 H new ATOM 1285 N ILE A 83 -0.307 -1.765 5.104 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.787 -0.707 4.171 1.00 0.00 C ATOM 1287 C ILE A 83 -2.333 -0.796 4.219 1.00 0.00 C ATOM 1288 O ILE A 83 -2.964 -1.799 3.995 1.00 0.00 O ATOM 1289 CB ILE A 83 -0.228 -1.050 2.769 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.122 -0.344 2.569 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -1.177 -0.578 1.675 1.00 0.00 C ATOM 1292 CD1 ILE A 83 1.544 -0.336 1.115 1.00 0.00 C ATOM 0 H ILE A 83 -0.633 -2.690 4.824 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.466 0.303 4.425 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.113 -2.132 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.053 0.681 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.885 -0.844 3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.762 -0.831 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.144 -1.067 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.306 0.502 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.503 0.172 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.639 -1.362 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.794 0.187 0.521 1.00 0.00 H new ATOM 1304 N SER A 84 -2.860 0.313 4.589 1.00 0.00 N ATOM 1305 CA SER A 84 -4.318 0.528 4.841 1.00 0.00 C ATOM 1306 C SER A 84 -4.862 1.573 3.856 1.00 0.00 C ATOM 1307 O SER A 84 -4.609 2.743 3.992 1.00 0.00 O ATOM 1308 CB SER A 84 -4.620 0.975 6.268 1.00 0.00 C ATOM 1309 OG SER A 84 -5.989 1.393 6.287 1.00 0.00 O ATOM 0 H SER A 84 -2.304 1.154 4.743 1.00 0.00 H new ATOM 0 HA SER A 84 -4.809 -0.434 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.455 0.160 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.962 1.791 6.565 1.00 0.00 H new ATOM 0 HG SER A 84 -6.228 1.689 7.190 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.575 1.106 2.904 1.00 0.00 N ATOM 1316 CA PHE A 85 -6.248 1.987 1.892 1.00 0.00 C ATOM 1317 C PHE A 85 -6.811 3.267 2.533 1.00 0.00 C ATOM 1318 O PHE A 85 -7.132 3.319 3.715 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.495 1.271 1.345 1.00 0.00 C ATOM 1320 CG PHE A 85 -7.245 -0.119 0.879 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -7.329 -1.238 1.724 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.918 -0.311 -0.475 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -7.097 -2.524 1.263 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -6.679 -1.586 -0.969 1.00 0.00 C ATOM 1325 CZ PHE A 85 -6.770 -2.674 -0.100 1.00 0.00 C ATOM 0 H PHE A 85 -5.739 0.110 2.761 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.498 2.214 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.258 1.250 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.900 1.853 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.582 -1.092 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.852 0.541 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.164 -3.377 1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.427 -1.734 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.583 -3.666 -0.485 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.972 4.331 1.823 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.508 5.588 2.413 1.00 0.00 C ATOM 1337 C ALA A 86 -9.013 5.496 2.539 1.00 0.00 C ATOM 1338 O ALA A 86 -9.487 4.931 3.509 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.070 6.726 1.479 1.00 0.00 C ATOM 0 H ALA A 86 -6.751 4.392 0.829 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.127 5.767 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.438 7.676 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.982 6.753 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.479 6.557 0.483 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.729 6.036 1.587 1.00 0.00 N ATOM 1346 CA LYS A 87 -11.216 6.001 1.600 1.00 0.00 C ATOM 1347 C LYS A 87 -11.733 6.879 0.449 1.00 0.00 C ATOM 1348 O LYS A 87 -12.464 6.398 -0.375 1.00 0.00 O ATOM 1349 CB LYS A 87 -11.775 6.608 2.896 1.00 0.00 C ATOM 1350 CG LYS A 87 -10.775 7.546 3.561 1.00 0.00 C ATOM 1351 CD LYS A 87 -11.475 8.770 4.170 1.00 0.00 C ATOM 1352 CE LYS A 87 -12.294 8.327 5.379 1.00 0.00 C ATOM 1353 NZ LYS A 87 -13.629 8.989 5.302 1.00 0.00 N ATOM 0 H LYS A 87 -9.329 6.513 0.779 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.531 4.961 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.693 7.153 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.038 5.808 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.233 7.010 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.038 7.874 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.738 9.515 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.122 9.240 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.407 7.243 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.786 8.601 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.207 8.702 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.506 10.022 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.107 8.706 4.423 1.00 0.00 H new ATOM 1367 N LYS A 88 -11.329 8.124 0.446 1.00 0.00 N ATOM 1368 CA LYS A 88 -11.813 9.014 -0.668 1.00 0.00 C ATOM 1369 C LYS A 88 -13.325 9.134 -0.654 1.00 0.00 C ATOM 1370 O LYS A 88 -13.933 8.988 0.407 1.00 0.00 O ATOM 1371 CB LYS A 88 -11.300 8.408 -1.988 1.00 0.00 C ATOM 1372 CG LYS A 88 -11.194 9.465 -3.077 1.00 0.00 C ATOM 1373 CD LYS A 88 -9.891 10.245 -2.846 1.00 0.00 C ATOM 1374 CE LYS A 88 -9.472 10.950 -4.132 1.00 0.00 C ATOM 1375 NZ LYS A 88 -8.647 10.028 -4.982 1.00 0.00 N ATOM 1376 OXT LYS A 88 -13.863 9.376 -1.717 1.00 0.00 O ATOM 0 H LYS A 88 -10.711 8.555 1.133 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.430 10.027 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.324 7.951 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.973 7.615 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.191 9.000 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.052 10.136 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.031 10.976 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.103 9.566 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.355 11.272 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.900 11.847 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.707 10.445 -5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.545 9.111 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.117 9.888 -5.899 1.00 0.00 H new TER 1390 LYS A 88