USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1014 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 56 CYS SG : rot 180:sc= -0.668 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 GLN : amide:sc= 0.921 K(o=2.6,f=-9.9!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 165:sc= 1.69 (180deg=1.08) USER MOD Set 3.1: A 45 ASN : amide:sc= 0.94 K(o=1.1,f=-0.35) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.138 X(o=1.1,f=0.81) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.00271 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-2.6!) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.166) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000756 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc=-0.00694 (180deg=-0.0572) USER MOD Single : A 31 SER OG : rot 102:sc= 1.28 USER MOD Single : A 32 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 34 SER OG : rot 82:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 51 SER OG : rot -69:sc= 1.29 USER MOD Single : A 53 ASN : amide:sc= 0.363 X(o=0.36,f=-0.011) USER MOD Single : A 58 HIS : no HD1:sc= 0.543 K(o=0.54,f=-4.9!) USER MOD Single : A 61 SER OG : rot 53:sc= 1.25 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 65 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.22) USER MOD Single : A 67 ASN : amide:sc= 0.583 K(o=0.58,f=-1.9) USER MOD Single : A 68 ASN : amide:sc= 0.198 K(o=0.2,f=-4.3!) USER MOD Single : A 72 GLN : amide:sc= 1.08 K(o=1.1,f=-1.3!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 88:sc= 1.24 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.33) USER MOD Single : A 101 THR OG1 : rot 128:sc= 0.672 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -166:sc= -0.0279 (180deg=-0.245) USER MOD Single : A 116 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.68) USER MOD Single : A 120 SER OG : rot 52:sc= 1.26 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 126 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.220 0.903 -11.381 1.00 0.00 N ATOM 2 CA MET A 1 -16.943 -0.269 -10.537 1.00 0.00 C ATOM 3 C MET A 1 -17.342 0.029 -9.098 1.00 0.00 C ATOM 4 O MET A 1 -16.983 1.075 -8.557 1.00 0.00 O ATOM 5 CB MET A 1 -15.470 -0.688 -10.633 1.00 0.00 C ATOM 6 CG MET A 1 -15.243 -1.679 -11.773 1.00 0.00 C ATOM 7 SD MET A 1 -16.094 -3.258 -11.533 1.00 0.00 S ATOM 8 CE MET A 1 -15.626 -4.075 -13.079 1.00 0.00 C ATOM 0 H1 MET A 1 -16.563 0.913 -12.187 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.198 0.855 -11.732 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.095 1.771 -10.822 1.00 0.00 H new ATOM 0 HA MET A 1 -17.538 -1.109 -10.897 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.849 0.194 -10.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.156 -1.138 -9.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.581 -1.231 -12.707 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.174 -1.863 -11.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.064 -5.073 -13.110 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.991 -3.491 -13.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.540 -4.154 -13.135 1.00 0.00 H new ATOM 18 N LYS A 2 -18.109 -0.882 -8.487 1.00 0.00 N ATOM 19 CA LYS A 2 -18.649 -0.756 -7.135 1.00 0.00 C ATOM 20 C LYS A 2 -17.539 -0.483 -6.122 1.00 0.00 C ATOM 21 O LYS A 2 -16.748 -1.379 -5.816 1.00 0.00 O ATOM 22 CB LYS A 2 -19.432 -2.028 -6.762 1.00 0.00 C ATOM 23 CG LYS A 2 -20.913 -1.941 -7.149 1.00 0.00 C ATOM 24 CD LYS A 2 -21.647 -3.236 -6.777 1.00 0.00 C ATOM 25 CE LYS A 2 -23.165 -3.049 -6.731 1.00 0.00 C ATOM 26 NZ LYS A 2 -23.741 -2.740 -8.053 1.00 0.00 N ATOM 0 H LYS A 2 -18.378 -1.756 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.330 0.095 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.980 -2.887 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.350 -2.200 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.378 -1.095 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.004 -1.760 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.400 -4.012 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.296 -3.584 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.627 -3.956 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.407 -2.244 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.771 -2.623 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -23.323 -1.860 -8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.536 -3.519 -8.711 1.00 0.00 H new ATOM 40 N ALA A 3 -17.483 0.731 -5.589 1.00 0.00 N ATOM 41 CA ALA A 3 -16.584 1.153 -4.526 1.00 0.00 C ATOM 42 C ALA A 3 -17.420 1.975 -3.543 1.00 0.00 C ATOM 43 O ALA A 3 -18.651 1.882 -3.570 1.00 0.00 O ATOM 44 CB ALA A 3 -15.388 1.897 -5.136 1.00 0.00 C ATOM 0 H ALA A 3 -18.095 1.484 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.146 0.321 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.713 2.214 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.857 1.234 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.743 2.772 -5.681 1.00 0.00 H new ATOM 50 N LEU A 4 -16.793 2.748 -2.652 1.00 0.00 N ATOM 51 CA LEU A 4 -17.531 3.652 -1.769 1.00 0.00 C ATOM 52 C LEU A 4 -17.220 5.082 -2.185 1.00 0.00 C ATOM 53 O LEU A 4 -17.804 5.526 -3.170 1.00 0.00 O ATOM 54 CB LEU A 4 -17.346 3.299 -0.283 1.00 0.00 C ATOM 55 CG LEU A 4 -18.512 3.828 0.585 1.00 0.00 C ATOM 56 CD1 LEU A 4 -18.587 3.007 1.868 1.00 0.00 C ATOM 57 CD2 LEU A 4 -18.370 5.307 0.961 1.00 0.00 C ATOM 0 H LEU A 4 -15.781 2.765 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 4 -18.608 3.531 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.274 2.217 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -16.407 3.719 0.076 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.419 3.732 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.406 3.373 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.759 1.960 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.649 3.101 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -19.222 5.611 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.450 5.452 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.337 5.911 0.054 1.00 0.00 H new ATOM 69 N GLU A 5 -16.252 5.735 -1.539 1.00 0.00 N ATOM 70 CA GLU A 5 -15.885 7.143 -1.687 1.00 0.00 C ATOM 71 C GLU A 5 -17.054 8.057 -1.295 1.00 0.00 C ATOM 72 O GLU A 5 -18.221 7.801 -1.604 1.00 0.00 O ATOM 73 CB GLU A 5 -15.297 7.461 -3.076 1.00 0.00 C ATOM 74 CG GLU A 5 -14.727 8.888 -3.169 1.00 0.00 C ATOM 75 CD GLU A 5 -13.653 9.157 -2.116 1.00 0.00 C ATOM 76 OE1 GLU A 5 -14.022 9.592 -0.998 1.00 0.00 O ATOM 77 OE2 GLU A 5 -12.472 8.844 -2.395 1.00 0.00 O ATOM 0 H GLU A 5 -15.665 5.261 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.075 7.350 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.509 6.744 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.072 7.334 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.305 9.044 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.537 9.608 -3.050 1.00 0.00 H new ATOM 84 N HIS A 6 -16.740 9.119 -0.562 1.00 0.00 N ATOM 85 CA HIS A 6 -17.721 10.028 -0.003 1.00 0.00 C ATOM 86 C HIS A 6 -17.200 11.446 -0.097 1.00 0.00 C ATOM 87 O HIS A 6 -17.931 12.295 -0.599 1.00 0.00 O ATOM 88 CB HIS A 6 -18.042 9.604 1.436 1.00 0.00 C ATOM 89 CG HIS A 6 -19.057 10.459 2.153 1.00 0.00 C ATOM 90 ND1 HIS A 6 -19.388 11.783 1.892 1.00 0.00 N ATOM 91 CD2 HIS A 6 -19.820 10.030 3.200 1.00 0.00 C ATOM 92 CE1 HIS A 6 -20.319 12.145 2.793 1.00 0.00 C ATOM 93 NE2 HIS A 6 -20.600 11.096 3.586 1.00 0.00 N ATOM 0 H HIS A 6 -15.778 9.373 -0.338 1.00 0.00 H new ATOM 0 HA HIS A 6 -18.653 9.990 -0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.404 8.576 1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.117 9.608 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -19.813 9.044 3.641 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -20.770 13.124 2.868 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -21.279 11.091 4.347 1.00 0.00 H new ATOM 102 N GLU A 7 -16.025 11.739 0.465 1.00 0.00 N ATOM 103 CA GLU A 7 -15.403 13.049 0.313 1.00 0.00 C ATOM 104 C GLU A 7 -13.909 13.033 0.679 1.00 0.00 C ATOM 105 O GLU A 7 -13.377 14.024 1.196 1.00 0.00 O ATOM 106 CB GLU A 7 -16.183 14.138 1.084 1.00 0.00 C ATOM 107 CG GLU A 7 -16.076 15.448 0.294 1.00 0.00 C ATOM 108 CD GLU A 7 -16.770 16.603 0.998 1.00 0.00 C ATOM 109 OE1 GLU A 7 -16.100 17.283 1.812 1.00 0.00 O ATOM 110 OE2 GLU A 7 -17.959 16.872 0.719 1.00 0.00 O ATOM 0 H GLU A 7 -15.487 11.082 1.030 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.453 13.306 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.227 13.848 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.773 14.263 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.025 15.695 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.515 15.311 -0.694 1.00 0.00 H new ATOM 117 N LYS A 8 -13.212 11.906 0.493 1.00 0.00 N ATOM 118 CA LYS A 8 -11.767 11.853 0.680 1.00 0.00 C ATOM 119 C LYS A 8 -11.156 12.609 -0.502 1.00 0.00 C ATOM 120 O LYS A 8 -11.873 13.082 -1.385 1.00 0.00 O ATOM 121 CB LYS A 8 -11.303 10.391 0.746 1.00 0.00 C ATOM 122 CG LYS A 8 -11.768 9.734 2.057 1.00 0.00 C ATOM 123 CD LYS A 8 -11.856 8.207 1.989 1.00 0.00 C ATOM 124 CE LYS A 8 -10.561 7.419 2.249 1.00 0.00 C ATOM 125 NZ LYS A 8 -9.501 7.645 1.245 1.00 0.00 N ATOM 0 H LYS A 8 -13.631 11.019 0.213 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.451 12.313 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.701 9.839 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.216 10.345 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.081 10.013 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.746 10.133 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.603 7.879 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.226 7.933 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.177 7.688 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.796 6.355 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.741 6.949 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.900 7.541 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.116 8.604 1.357 1.00 0.00 H new ATOM 139 N THR A 9 -9.840 12.724 -0.545 1.00 0.00 N ATOM 140 CA THR A 9 -9.130 13.385 -1.632 1.00 0.00 C ATOM 141 C THR A 9 -8.494 12.356 -2.578 1.00 0.00 C ATOM 142 O THR A 9 -7.309 12.042 -2.440 1.00 0.00 O ATOM 143 CB THR A 9 -8.126 14.396 -1.065 1.00 0.00 C ATOM 144 OG1 THR A 9 -7.373 13.852 0.011 1.00 0.00 O ATOM 145 CG2 THR A 9 -8.864 15.629 -0.542 1.00 0.00 C ATOM 0 H THR A 9 -9.225 12.357 0.181 1.00 0.00 H new ATOM 0 HA THR A 9 -9.837 13.950 -2.240 1.00 0.00 H new ATOM 0 HB THR A 9 -7.449 14.659 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.744 14.526 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.143 16.342 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.419 16.094 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.557 15.332 0.245 1.00 0.00 H new ATOM 153 N PRO A 10 -9.236 11.792 -3.549 1.00 0.00 N ATOM 154 CA PRO A 10 -8.677 10.819 -4.473 1.00 0.00 C ATOM 155 C PRO A 10 -7.673 11.435 -5.448 1.00 0.00 C ATOM 156 O PRO A 10 -6.966 10.679 -6.109 1.00 0.00 O ATOM 157 CB PRO A 10 -9.875 10.209 -5.205 1.00 0.00 C ATOM 158 CG PRO A 10 -10.894 11.344 -5.194 1.00 0.00 C ATOM 159 CD PRO A 10 -10.647 11.994 -3.840 1.00 0.00 C ATOM 0 HA PRO A 10 -8.105 10.064 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.617 9.907 -6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.252 9.323 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.733 12.042 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.915 10.974 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.892 13.056 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.273 11.542 -3.070 1.00 0.00 H new ATOM 167 N GLU A 11 -7.577 12.761 -5.582 1.00 0.00 N ATOM 168 CA GLU A 11 -6.534 13.355 -6.416 1.00 0.00 C ATOM 169 C GLU A 11 -5.267 13.415 -5.595 1.00 0.00 C ATOM 170 O GLU A 11 -4.270 12.850 -6.016 1.00 0.00 O ATOM 171 CB GLU A 11 -6.908 14.723 -6.993 1.00 0.00 C ATOM 172 CG GLU A 11 -8.180 14.590 -7.831 1.00 0.00 C ATOM 173 CD GLU A 11 -8.224 15.551 -9.009 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.587 16.734 -8.835 1.00 0.00 O ATOM 175 OE2 GLU A 11 -7.957 15.093 -10.147 1.00 0.00 O ATOM 0 H GLU A 11 -8.199 13.432 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.392 12.727 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.064 15.440 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.093 15.106 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.258 13.568 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.047 14.766 -7.194 1.00 0.00 H new ATOM 182 N LEU A 12 -5.321 13.983 -4.389 1.00 0.00 N ATOM 183 CA LEU A 12 -4.176 14.079 -3.487 1.00 0.00 C ATOM 184 C LEU A 12 -3.613 12.676 -3.311 1.00 0.00 C ATOM 185 O LEU A 12 -2.427 12.441 -3.502 1.00 0.00 O ATOM 186 CB LEU A 12 -4.612 14.675 -2.134 1.00 0.00 C ATOM 187 CG LEU A 12 -3.495 15.161 -1.183 1.00 0.00 C ATOM 188 CD1 LEU A 12 -2.329 14.192 -0.950 1.00 0.00 C ATOM 189 CD2 LEU A 12 -2.905 16.491 -1.646 1.00 0.00 C ATOM 0 H LEU A 12 -6.173 14.394 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.412 14.738 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.275 15.517 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.200 13.923 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.020 15.254 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.611 14.645 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.707 13.265 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.840 13.976 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.123 16.803 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.481 16.374 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.689 17.248 -1.672 1.00 0.00 H new ATOM 201 N ALA A 13 -4.482 11.715 -3.007 1.00 0.00 N ATOM 202 CA ALA A 13 -4.069 10.364 -2.708 1.00 0.00 C ATOM 203 C ALA A 13 -3.511 9.664 -3.938 1.00 0.00 C ATOM 204 O ALA A 13 -2.612 8.843 -3.774 1.00 0.00 O ATOM 205 CB ALA A 13 -5.261 9.581 -2.151 1.00 0.00 C ATOM 0 H ALA A 13 -5.491 11.860 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.273 10.405 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.952 8.561 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.619 10.062 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.061 9.562 -2.891 1.00 0.00 H new ATOM 211 N ALA A 14 -4.011 9.961 -5.140 1.00 0.00 N ATOM 212 CA ALA A 14 -3.468 9.363 -6.363 1.00 0.00 C ATOM 213 C ALA A 14 -2.160 10.045 -6.780 1.00 0.00 C ATOM 214 O ALA A 14 -1.270 9.403 -7.349 1.00 0.00 O ATOM 215 CB ALA A 14 -4.498 9.415 -7.482 1.00 0.00 C ATOM 0 H ALA A 14 -4.785 10.607 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.239 8.317 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.079 8.967 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.389 8.863 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.765 10.453 -7.683 1.00 0.00 H new ATOM 221 N LYS A 15 -2.023 11.344 -6.511 1.00 0.00 N ATOM 222 CA LYS A 15 -0.789 12.099 -6.721 1.00 0.00 C ATOM 223 C LYS A 15 0.287 11.530 -5.820 1.00 0.00 C ATOM 224 O LYS A 15 1.370 11.169 -6.277 1.00 0.00 O ATOM 225 CB LYS A 15 -1.025 13.596 -6.453 1.00 0.00 C ATOM 226 CG LYS A 15 -1.418 14.409 -7.698 1.00 0.00 C ATOM 227 CD LYS A 15 -2.511 13.845 -8.624 1.00 0.00 C ATOM 228 CE LYS A 15 -2.877 14.804 -9.763 1.00 0.00 C ATOM 229 NZ LYS A 15 -1.716 15.206 -10.582 1.00 0.00 N ATOM 0 H LYS A 15 -2.782 11.911 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.463 12.008 -7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.810 13.699 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.118 14.024 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.742 15.394 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.519 14.556 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.171 12.899 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.403 13.629 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.619 14.329 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.343 15.695 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.042 15.770 -11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.064 15.774 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.224 14.357 -10.927 1.00 0.00 H new ATOM 243 N LEU A 16 -0.044 11.406 -4.544 1.00 0.00 N ATOM 244 CA LEU A 16 0.836 10.948 -3.496 1.00 0.00 C ATOM 245 C LEU A 16 1.179 9.474 -3.728 1.00 0.00 C ATOM 246 O LEU A 16 2.308 9.056 -3.491 1.00 0.00 O ATOM 247 CB LEU A 16 0.054 11.189 -2.198 1.00 0.00 C ATOM 248 CG LEU A 16 0.781 10.825 -0.910 1.00 0.00 C ATOM 249 CD1 LEU A 16 2.008 11.715 -0.735 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.180 11.081 0.256 1.00 0.00 C ATOM 0 H LEU A 16 -0.978 11.634 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 16 1.792 11.470 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.222 12.243 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.874 10.618 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 16 1.097 9.782 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.522 11.448 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.683 11.575 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.697 12.759 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.312 10.829 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.467 12.133 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.070 10.464 0.136 1.00 0.00 H new ATOM 262 N ALA A 17 0.221 8.684 -4.231 1.00 0.00 N ATOM 263 CA ALA A 17 0.447 7.302 -4.606 1.00 0.00 C ATOM 264 C ALA A 17 1.402 7.163 -5.783 1.00 0.00 C ATOM 265 O ALA A 17 2.040 6.126 -5.857 1.00 0.00 O ATOM 266 CB ALA A 17 -0.859 6.593 -4.970 1.00 0.00 C ATOM 0 H ALA A 17 -0.737 8.999 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 17 0.893 6.837 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.648 5.560 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.533 6.610 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.328 7.104 -5.811 1.00 0.00 H new ATOM 272 N ALA A 18 1.504 8.129 -6.701 1.00 0.00 N ATOM 273 CA ALA A 18 2.366 7.973 -7.870 1.00 0.00 C ATOM 274 C ALA A 18 3.823 7.812 -7.431 1.00 0.00 C ATOM 275 O ALA A 18 4.509 6.893 -7.869 1.00 0.00 O ATOM 276 CB ALA A 18 2.193 9.157 -8.821 1.00 0.00 C ATOM 0 H ALA A 18 1.005 9.017 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 18 2.077 7.071 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.842 9.026 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.155 9.211 -9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.458 10.080 -8.305 1.00 0.00 H new ATOM 282 N GLU A 19 4.255 8.653 -6.493 1.00 0.00 N ATOM 283 CA GLU A 19 5.606 8.648 -5.942 1.00 0.00 C ATOM 284 C GLU A 19 5.887 7.337 -5.190 1.00 0.00 C ATOM 285 O GLU A 19 7.033 6.893 -5.111 1.00 0.00 O ATOM 286 CB GLU A 19 5.749 9.809 -4.948 1.00 0.00 C ATOM 287 CG GLU A 19 5.132 11.164 -5.328 1.00 0.00 C ATOM 288 CD GLU A 19 5.817 11.853 -6.506 1.00 0.00 C ATOM 289 OE1 GLU A 19 5.789 11.349 -7.650 1.00 0.00 O ATOM 290 OE2 GLU A 19 6.305 12.989 -6.325 1.00 0.00 O ATOM 0 H GLU A 19 3.659 9.374 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 19 6.312 8.749 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.308 9.495 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.813 9.965 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.079 11.017 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.171 11.825 -4.462 1.00 0.00 H new ATOM 297 N ALA A 20 4.847 6.732 -4.601 1.00 0.00 N ATOM 298 CA ALA A 20 4.936 5.432 -3.955 1.00 0.00 C ATOM 299 C ALA A 20 5.043 4.343 -5.013 1.00 0.00 C ATOM 300 O ALA A 20 5.935 3.519 -4.925 1.00 0.00 O ATOM 301 CB ALA A 20 3.710 5.172 -3.068 1.00 0.00 C ATOM 0 H ALA A 20 3.914 7.142 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 20 5.824 5.422 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.803 4.193 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.649 5.941 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.807 5.197 -3.678 1.00 0.00 H new ATOM 307 N ILE A 21 4.149 4.331 -5.997 1.00 0.00 N ATOM 308 CA ILE A 21 4.051 3.364 -7.087 1.00 0.00 C ATOM 309 C ILE A 21 5.362 3.306 -7.872 1.00 0.00 C ATOM 310 O ILE A 21 5.742 2.236 -8.345 1.00 0.00 O ATOM 311 CB ILE A 21 2.827 3.778 -7.955 1.00 0.00 C ATOM 312 CG1 ILE A 21 1.526 3.309 -7.266 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.870 3.308 -9.417 1.00 0.00 C ATOM 314 CD1 ILE A 21 0.247 3.954 -7.815 1.00 0.00 C ATOM 0 H ILE A 21 3.424 5.046 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 21 3.894 2.351 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 21 2.861 4.866 -8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.445 2.227 -7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.597 3.523 -6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.973 3.647 -9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.751 3.723 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.917 2.219 -9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.617 3.567 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.301 5.035 -7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.147 3.719 -8.875 1.00 0.00 H new ATOM 326 N GLU A 22 6.063 4.431 -8.003 1.00 0.00 N ATOM 327 CA GLU A 22 7.343 4.481 -8.688 1.00 0.00 C ATOM 328 C GLU A 22 8.370 3.642 -7.908 1.00 0.00 C ATOM 329 O GLU A 22 9.214 2.976 -8.505 1.00 0.00 O ATOM 330 CB GLU A 22 7.774 5.952 -8.786 1.00 0.00 C ATOM 331 CG GLU A 22 9.101 6.144 -9.532 1.00 0.00 C ATOM 332 CD GLU A 22 8.914 5.884 -11.030 1.00 0.00 C ATOM 333 OE1 GLU A 22 8.135 6.629 -11.673 1.00 0.00 O ATOM 334 OE2 GLU A 22 9.528 4.942 -11.583 1.00 0.00 O ATOM 0 H GLU A 22 5.755 5.331 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 22 7.269 4.066 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.994 6.520 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.866 6.365 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.470 7.158 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.853 5.465 -9.130 1.00 0.00 H new ATOM 341 N ARG A 23 8.300 3.665 -6.572 1.00 0.00 N ATOM 342 CA ARG A 23 9.236 2.990 -5.679 1.00 0.00 C ATOM 343 C ARG A 23 8.759 1.592 -5.279 1.00 0.00 C ATOM 344 O ARG A 23 9.580 0.756 -4.891 1.00 0.00 O ATOM 345 CB ARG A 23 9.416 3.860 -4.418 1.00 0.00 C ATOM 346 CG ARG A 23 10.819 3.672 -3.830 1.00 0.00 C ATOM 347 CD ARG A 23 11.055 4.561 -2.608 1.00 0.00 C ATOM 348 NE ARG A 23 12.433 4.407 -2.121 1.00 0.00 N ATOM 349 CZ ARG A 23 13.506 5.113 -2.499 1.00 0.00 C ATOM 350 NH1 ARG A 23 13.418 6.134 -3.344 1.00 0.00 N ATOM 351 NH2 ARG A 23 14.696 4.784 -2.023 1.00 0.00 N ATOM 0 H ARG A 23 7.568 4.170 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 23 10.181 2.862 -6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.258 4.909 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.665 3.592 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.957 2.628 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.564 3.899 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.868 5.603 -2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.352 4.298 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 23 12.589 3.684 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.512 6.402 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.257 6.650 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.788 4.001 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.522 5.314 -2.303 1.00 0.00 H new ATOM 365 N ASP A 24 7.459 1.330 -5.358 1.00 0.00 N ATOM 366 CA ASP A 24 6.799 0.118 -4.906 1.00 0.00 C ATOM 367 C ASP A 24 6.119 -0.578 -6.076 1.00 0.00 C ATOM 368 O ASP A 24 4.987 -0.223 -6.431 1.00 0.00 O ATOM 369 CB ASP A 24 5.760 0.399 -3.810 1.00 0.00 C ATOM 370 CG ASP A 24 5.194 -0.918 -3.255 1.00 0.00 C ATOM 371 OD1 ASP A 24 5.825 -1.984 -3.458 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.096 -0.908 -2.661 1.00 0.00 O ATOM 0 H ASP A 24 6.803 1.998 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 24 7.569 -0.527 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.218 0.973 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.951 1.007 -4.215 1.00 0.00 H new ATOM 377 N PRO A 25 6.751 -1.602 -6.674 1.00 0.00 N ATOM 378 CA PRO A 25 6.092 -2.370 -7.708 1.00 0.00 C ATOM 379 C PRO A 25 4.837 -3.059 -7.168 1.00 0.00 C ATOM 380 O PRO A 25 3.941 -3.328 -7.962 1.00 0.00 O ATOM 381 CB PRO A 25 7.135 -3.354 -8.238 1.00 0.00 C ATOM 382 CG PRO A 25 8.103 -3.508 -7.073 1.00 0.00 C ATOM 383 CD PRO A 25 8.073 -2.144 -6.390 1.00 0.00 C ATOM 0 HA PRO A 25 5.735 -1.736 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.684 -4.307 -8.514 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.635 -2.969 -9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.789 -4.302 -6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.106 -3.761 -7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.238 -2.238 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.857 -1.493 -6.777 1.00 0.00 H new ATOM 391 N TRP A 26 4.691 -3.313 -5.859 1.00 0.00 N ATOM 392 CA TRP A 26 3.435 -3.851 -5.362 1.00 0.00 C ATOM 393 C TRP A 26 2.328 -2.802 -5.476 1.00 0.00 C ATOM 394 O TRP A 26 1.268 -3.112 -6.009 1.00 0.00 O ATOM 395 CB TRP A 26 3.557 -4.395 -3.941 1.00 0.00 C ATOM 396 CG TRP A 26 2.279 -4.953 -3.391 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.778 -4.651 -2.178 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.340 -5.907 -3.974 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.570 -5.290 -1.984 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.264 -6.102 -3.059 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.316 -6.676 -5.157 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.788 -6.992 -3.327 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.343 -7.664 -5.373 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.736 -7.791 -4.483 1.00 0.00 C ATOM 0 H TRP A 26 5.409 -3.157 -5.151 1.00 0.00 H new ATOM 0 HA TRP A 26 3.167 -4.702 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.319 -5.175 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.905 -3.596 -3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.254 -4.001 -1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.018 -5.178 -1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.065 -6.500 -5.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.628 -7.062 -2.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.424 -8.326 -6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.524 -8.501 -4.686 1.00 0.00 H new ATOM 415 N ALA A 27 2.546 -1.555 -5.052 1.00 0.00 N ATOM 416 CA ALA A 27 1.545 -0.501 -5.182 1.00 0.00 C ATOM 417 C ALA A 27 1.146 -0.312 -6.641 1.00 0.00 C ATOM 418 O ALA A 27 -0.035 -0.068 -6.917 1.00 0.00 O ATOM 419 CB ALA A 27 2.047 0.825 -4.598 1.00 0.00 C ATOM 0 H ALA A 27 3.415 -1.252 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 27 0.668 -0.812 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.276 1.588 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.274 0.694 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.948 1.138 -5.127 1.00 0.00 H new ATOM 425 N ALA A 28 2.107 -0.435 -7.560 1.00 0.00 N ATOM 426 CA ALA A 28 1.867 -0.401 -8.991 1.00 0.00 C ATOM 427 C ALA A 28 0.977 -1.579 -9.383 1.00 0.00 C ATOM 428 O ALA A 28 -0.080 -1.392 -9.988 1.00 0.00 O ATOM 429 CB ALA A 28 3.209 -0.456 -9.736 1.00 0.00 C ATOM 0 H ALA A 28 3.090 -0.563 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 28 1.359 0.524 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.030 -0.431 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.820 0.400 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.731 -1.377 -9.477 1.00 0.00 H new ATOM 435 N GLN A 29 1.366 -2.790 -8.989 1.00 0.00 N ATOM 436 CA GLN A 29 0.671 -4.027 -9.310 1.00 0.00 C ATOM 437 C GLN A 29 -0.774 -3.945 -8.836 1.00 0.00 C ATOM 438 O GLN A 29 -1.677 -4.142 -9.642 1.00 0.00 O ATOM 439 CB GLN A 29 1.416 -5.217 -8.693 1.00 0.00 C ATOM 440 CG GLN A 29 2.639 -5.595 -9.543 1.00 0.00 C ATOM 441 CD GLN A 29 3.608 -6.518 -8.805 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.234 -7.361 -7.992 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.890 -6.396 -9.076 1.00 0.00 N ATOM 0 H GLN A 29 2.200 -2.938 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 29 0.654 -4.175 -10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.734 -4.967 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.744 -6.072 -8.614 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.303 -6.084 -10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.164 -4.687 -9.841 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.205 -5.698 -9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.569 -7.000 -8.612 1.00 0.00 H new ATOM 452 N VAL A 30 -1.010 -3.572 -7.578 1.00 0.00 N ATOM 453 CA VAL A 30 -2.340 -3.397 -6.993 1.00 0.00 C ATOM 454 C VAL A 30 -3.169 -2.439 -7.834 1.00 0.00 C ATOM 455 O VAL A 30 -4.358 -2.673 -8.059 1.00 0.00 O ATOM 456 CB VAL A 30 -2.210 -2.893 -5.540 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.542 -2.494 -4.883 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.608 -4.007 -4.696 1.00 0.00 C ATOM 0 H VAL A 30 -0.258 -3.377 -6.917 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.854 -4.358 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.589 -1.998 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.357 -2.152 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.005 -1.691 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.209 -3.356 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.508 -3.669 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.258 -4.881 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.626 -4.270 -5.088 1.00 0.00 H new ATOM 468 N SER A 31 -2.546 -1.371 -8.316 1.00 0.00 N ATOM 469 CA SER A 31 -3.228 -0.362 -9.092 1.00 0.00 C ATOM 470 C SER A 31 -3.664 -0.903 -10.458 1.00 0.00 C ATOM 471 O SER A 31 -4.626 -0.383 -11.019 1.00 0.00 O ATOM 472 CB SER A 31 -2.342 0.882 -9.120 1.00 0.00 C ATOM 473 OG SER A 31 -2.151 1.324 -7.785 1.00 0.00 O ATOM 0 H SER A 31 -1.553 -1.187 -8.176 1.00 0.00 H new ATOM 0 HA SER A 31 -4.173 -0.070 -8.634 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.383 0.655 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.808 1.666 -9.717 1.00 0.00 H new ATOM 0 HG SER A 31 -1.265 1.046 -7.472 1.00 0.00 H new ATOM 479 N GLN A 32 -3.026 -1.963 -10.966 1.00 0.00 N ATOM 480 CA GLN A 32 -3.466 -2.631 -12.180 1.00 0.00 C ATOM 481 C GLN A 32 -4.492 -3.700 -11.777 1.00 0.00 C ATOM 482 O GLN A 32 -5.500 -3.855 -12.467 1.00 0.00 O ATOM 483 CB GLN A 32 -2.280 -3.225 -12.960 1.00 0.00 C ATOM 484 CG GLN A 32 -2.801 -3.967 -14.203 1.00 0.00 C ATOM 485 CD GLN A 32 -1.747 -4.308 -15.256 1.00 0.00 C ATOM 486 OE1 GLN A 32 -2.029 -4.257 -16.452 1.00 0.00 O ATOM 487 NE2 GLN A 32 -0.552 -4.708 -14.856 1.00 0.00 N ATOM 0 H GLN A 32 -2.194 -2.375 -10.544 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.931 -1.916 -12.858 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.594 -2.432 -13.258 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.719 -3.910 -12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.278 -4.892 -13.879 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.573 -3.357 -14.672 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.333 -4.745 -13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.151 -4.980 -15.543 1.00 0.00 H new ATOM 496 N LEU A 33 -4.290 -4.398 -10.647 1.00 0.00 N ATOM 497 CA LEU A 33 -5.153 -5.488 -10.172 1.00 0.00 C ATOM 498 C LEU A 33 -6.589 -5.023 -10.009 1.00 0.00 C ATOM 499 O LEU A 33 -7.514 -5.809 -10.197 1.00 0.00 O ATOM 500 CB LEU A 33 -4.704 -6.047 -8.805 1.00 0.00 C ATOM 501 CG LEU A 33 -3.407 -6.861 -8.742 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.318 -7.653 -7.433 1.00 0.00 C ATOM 503 CD2 LEU A 33 -3.317 -7.789 -9.940 1.00 0.00 C ATOM 0 H LEU A 33 -3.503 -4.214 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.076 -6.266 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.602 -5.206 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.509 -6.674 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.564 -6.171 -8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.388 -8.222 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.339 -6.964 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.163 -8.338 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.392 -8.363 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.168 -8.470 -9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.326 -7.201 -10.858 1.00 0.00 H new ATOM 515 N SER A 34 -6.747 -3.745 -9.671 1.00 0.00 N ATOM 516 CA SER A 34 -8.024 -3.055 -9.579 1.00 0.00 C ATOM 517 C SER A 34 -9.028 -3.891 -8.778 1.00 0.00 C ATOM 518 O SER A 34 -10.140 -4.157 -9.241 1.00 0.00 O ATOM 519 CB SER A 34 -8.507 -2.721 -11.000 1.00 0.00 C ATOM 520 OG SER A 34 -7.473 -2.086 -11.736 1.00 0.00 O ATOM 0 H SER A 34 -5.956 -3.142 -9.446 1.00 0.00 H new ATOM 0 HA SER A 34 -7.917 -2.116 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.818 -3.633 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.380 -2.070 -10.951 1.00 0.00 H new ATOM 0 HG SER A 34 -6.866 -2.764 -12.099 1.00 0.00 H new ATOM 526 N LEU A 35 -8.617 -4.338 -7.584 1.00 0.00 N ATOM 527 CA LEU A 35 -9.488 -5.087 -6.689 1.00 0.00 C ATOM 528 C LEU A 35 -10.711 -4.209 -6.399 1.00 0.00 C ATOM 529 O LEU A 35 -10.565 -2.984 -6.349 1.00 0.00 O ATOM 530 CB LEU A 35 -8.773 -5.459 -5.378 1.00 0.00 C ATOM 531 CG LEU A 35 -7.654 -6.519 -5.409 1.00 0.00 C ATOM 532 CD1 LEU A 35 -7.917 -7.675 -6.381 1.00 0.00 C ATOM 533 CD2 LEU A 35 -6.292 -5.883 -5.677 1.00 0.00 C ATOM 0 H LEU A 35 -7.676 -4.188 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.782 -6.024 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.348 -4.544 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.532 -5.803 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.647 -6.961 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.085 -8.378 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.837 -8.187 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.017 -7.284 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.525 -6.658 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.312 -5.373 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.065 -5.164 -4.890 1.00 0.00 H new ATOM 545 N PRO A 36 -11.886 -4.800 -6.132 1.00 0.00 N ATOM 546 CA PRO A 36 -13.132 -4.065 -5.982 1.00 0.00 C ATOM 547 C PRO A 36 -13.075 -3.026 -4.857 1.00 0.00 C ATOM 548 O PRO A 36 -12.931 -1.836 -5.146 1.00 0.00 O ATOM 549 CB PRO A 36 -14.225 -5.129 -5.859 1.00 0.00 C ATOM 550 CG PRO A 36 -13.489 -6.374 -5.371 1.00 0.00 C ATOM 551 CD PRO A 36 -12.133 -6.230 -6.054 1.00 0.00 C ATOM 0 HA PRO A 36 -13.349 -3.433 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.999 -4.824 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.716 -5.307 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.398 -6.395 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.999 -7.291 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.351 -6.732 -5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.144 -6.681 -7.046 1.00 0.00 H new ATOM 559 N LYS A 37 -13.196 -3.434 -3.590 1.00 0.00 N ATOM 560 CA LYS A 37 -13.023 -2.536 -2.444 1.00 0.00 C ATOM 561 C LYS A 37 -12.656 -3.331 -1.203 1.00 0.00 C ATOM 562 O LYS A 37 -11.695 -2.999 -0.507 1.00 0.00 O ATOM 563 CB LYS A 37 -14.317 -1.739 -2.203 1.00 0.00 C ATOM 564 CG LYS A 37 -14.229 -0.701 -1.071 1.00 0.00 C ATOM 565 CD LYS A 37 -13.091 0.321 -1.223 1.00 0.00 C ATOM 566 CE LYS A 37 -12.998 1.254 -0.008 1.00 0.00 C ATOM 567 NZ LYS A 37 -14.131 2.192 0.089 1.00 0.00 N ATOM 0 H LYS A 37 -13.416 -4.395 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.214 -1.839 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.591 -1.228 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.122 -2.438 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.176 -0.164 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.103 -1.226 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.145 -0.205 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.251 0.913 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.952 0.654 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.069 1.821 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.012 2.795 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.163 2.787 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.019 1.657 0.171 1.00 0.00 H new ATOM 581 N LEU A 38 -13.401 -4.404 -0.956 1.00 0.00 N ATOM 582 CA LEU A 38 -13.152 -5.349 0.120 1.00 0.00 C ATOM 583 C LEU A 38 -11.789 -5.980 -0.122 1.00 0.00 C ATOM 584 O LEU A 38 -10.897 -5.856 0.709 1.00 0.00 O ATOM 585 CB LEU A 38 -14.293 -6.384 0.166 1.00 0.00 C ATOM 586 CG LEU A 38 -14.309 -7.382 1.339 1.00 0.00 C ATOM 587 CD1 LEU A 38 -13.283 -8.513 1.202 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.159 -6.685 2.690 1.00 0.00 C ATOM 0 H LEU A 38 -14.218 -4.644 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.134 -4.860 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.238 -5.841 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.264 -6.957 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.294 -7.846 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.354 -9.175 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.485 -9.079 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.280 -8.090 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.176 -7.429 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.213 -6.145 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.981 -5.984 2.831 1.00 0.00 H new ATOM 600 N VAL A 39 -11.595 -6.631 -1.269 1.00 0.00 N ATOM 601 CA VAL A 39 -10.342 -7.347 -1.535 1.00 0.00 C ATOM 602 C VAL A 39 -9.189 -6.349 -1.719 1.00 0.00 C ATOM 603 O VAL A 39 -8.041 -6.678 -1.422 1.00 0.00 O ATOM 604 CB VAL A 39 -10.508 -8.329 -2.715 1.00 0.00 C ATOM 605 CG1 VAL A 39 -9.279 -9.228 -2.913 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.707 -9.257 -2.477 1.00 0.00 C ATOM 0 H VAL A 39 -12.280 -6.679 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.084 -7.962 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.650 -7.709 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.450 -9.898 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.404 -8.609 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.109 -9.815 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.809 -9.942 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.550 -9.827 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.615 -8.661 -2.382 1.00 0.00 H new ATOM 616 N GLU A 40 -9.484 -5.105 -2.121 1.00 0.00 N ATOM 617 CA GLU A 40 -8.467 -4.060 -2.200 1.00 0.00 C ATOM 618 C GLU A 40 -7.888 -3.846 -0.799 1.00 0.00 C ATOM 619 O GLU A 40 -6.678 -3.720 -0.652 1.00 0.00 O ATOM 620 CB GLU A 40 -9.058 -2.755 -2.769 1.00 0.00 C ATOM 621 CG GLU A 40 -7.983 -1.661 -2.883 1.00 0.00 C ATOM 622 CD GLU A 40 -8.528 -0.271 -3.202 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.612 0.107 -2.700 1.00 0.00 O ATOM 624 OE2 GLU A 40 -7.840 0.511 -3.898 1.00 0.00 O ATOM 0 H GLU A 40 -10.419 -4.803 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.672 -4.367 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.491 -2.947 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.867 -2.408 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.429 -1.614 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.273 -1.946 -3.659 1.00 0.00 H new ATOM 631 N GLN A 41 -8.730 -3.863 0.237 1.00 0.00 N ATOM 632 CA GLN A 41 -8.309 -3.628 1.608 1.00 0.00 C ATOM 633 C GLN A 41 -7.270 -4.654 2.073 1.00 0.00 C ATOM 634 O GLN A 41 -6.425 -4.301 2.891 1.00 0.00 O ATOM 635 CB GLN A 41 -9.541 -3.621 2.523 1.00 0.00 C ATOM 636 CG GLN A 41 -9.382 -2.707 3.740 1.00 0.00 C ATOM 637 CD GLN A 41 -10.754 -2.325 4.279 1.00 0.00 C ATOM 638 OE1 GLN A 41 -11.456 -1.521 3.666 1.00 0.00 O ATOM 639 NE2 GLN A 41 -11.171 -2.887 5.400 1.00 0.00 N ATOM 0 H GLN A 41 -9.729 -4.042 0.141 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.821 -2.655 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.411 -3.302 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.739 -4.637 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.805 -3.213 4.514 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.827 -1.811 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.572 -3.551 5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.092 -2.657 5.774 1.00 0.00 H new ATOM 648 N VAL A 42 -7.296 -5.886 1.553 1.00 0.00 N ATOM 649 CA VAL A 42 -6.289 -6.907 1.838 1.00 0.00 C ATOM 650 C VAL A 42 -4.981 -6.510 1.171 1.00 0.00 C ATOM 651 O VAL A 42 -3.969 -6.388 1.856 1.00 0.00 O ATOM 652 CB VAL A 42 -6.783 -8.295 1.376 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.770 -9.428 1.580 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.058 -8.632 2.147 1.00 0.00 C ATOM 0 H VAL A 42 -8.026 -6.203 0.915 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.118 -6.977 2.912 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.950 -8.226 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.198 -10.367 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.862 -9.210 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.528 -9.513 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.424 -9.610 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.843 -8.649 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.818 -7.878 1.941 1.00 0.00 H new ATOM 664 N ALA A 43 -5.006 -6.277 -0.145 1.00 0.00 N ATOM 665 CA ALA A 43 -3.823 -5.894 -0.904 1.00 0.00 C ATOM 666 C ALA A 43 -3.174 -4.626 -0.333 1.00 0.00 C ATOM 667 O ALA A 43 -1.952 -4.500 -0.344 1.00 0.00 O ATOM 668 CB ALA A 43 -4.220 -5.698 -2.370 1.00 0.00 C ATOM 0 H ALA A 43 -5.852 -6.350 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.079 -6.687 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.342 -5.411 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.626 -6.629 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.974 -4.914 -2.441 1.00 0.00 H new ATOM 674 N LEU A 44 -3.993 -3.705 0.176 1.00 0.00 N ATOM 675 CA LEU A 44 -3.587 -2.472 0.828 1.00 0.00 C ATOM 676 C LEU A 44 -2.996 -2.713 2.215 1.00 0.00 C ATOM 677 O LEU A 44 -2.014 -2.059 2.569 1.00 0.00 O ATOM 678 CB LEU A 44 -4.789 -1.521 0.926 1.00 0.00 C ATOM 679 CG LEU A 44 -5.127 -0.755 -0.368 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.334 0.153 -0.096 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.980 0.110 -0.904 1.00 0.00 C ATOM 0 H LEU A 44 -5.007 -3.810 0.140 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.803 -2.022 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.664 -2.097 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.596 -0.797 1.718 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.333 -1.507 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.587 0.703 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.186 -0.455 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.088 0.857 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.300 0.615 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.704 0.853 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.119 -0.522 -1.122 1.00 0.00 H new ATOM 693 N ASN A 45 -3.583 -3.598 3.027 1.00 0.00 N ATOM 694 CA ASN A 45 -3.114 -3.802 4.400 1.00 0.00 C ATOM 695 C ASN A 45 -1.991 -4.833 4.470 1.00 0.00 C ATOM 696 O ASN A 45 -1.597 -5.218 5.571 1.00 0.00 O ATOM 697 CB ASN A 45 -4.273 -4.154 5.346 1.00 0.00 C ATOM 698 CG ASN A 45 -5.000 -2.891 5.769 1.00 0.00 C ATOM 699 OD1 ASN A 45 -4.684 -2.295 6.794 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.982 -2.446 5.007 1.00 0.00 N ATOM 0 H ASN A 45 -4.377 -4.180 2.760 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.695 -2.855 4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.966 -4.833 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.891 -4.675 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.486 -1.599 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.236 -2.949 4.157 1.00 0.00 H new ATOM 707 N ALA A 46 -1.462 -5.286 3.333 1.00 0.00 N ATOM 708 CA ALA A 46 -0.390 -6.250 3.272 1.00 0.00 C ATOM 709 C ALA A 46 0.728 -5.736 2.386 1.00 0.00 C ATOM 710 O ALA A 46 0.497 -4.986 1.440 1.00 0.00 O ATOM 711 CB ALA A 46 -0.928 -7.581 2.739 1.00 0.00 C ATOM 0 H ALA A 46 -1.782 -4.979 2.414 1.00 0.00 H new ATOM 0 HA ALA A 46 0.012 -6.405 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.118 -8.309 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.710 -7.950 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.340 -7.433 1.741 1.00 0.00 H new ATOM 717 N TRP A 47 1.940 -6.174 2.694 1.00 0.00 N ATOM 718 CA TRP A 47 3.127 -5.915 1.906 1.00 0.00 C ATOM 719 C TRP A 47 3.464 -7.234 1.222 1.00 0.00 C ATOM 720 O TRP A 47 3.298 -8.315 1.799 1.00 0.00 O ATOM 721 CB TRP A 47 4.249 -5.356 2.779 1.00 0.00 C ATOM 722 CG TRP A 47 4.730 -6.194 3.923 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.330 -6.106 5.215 1.00 0.00 C ATOM 724 CD2 TRP A 47 5.784 -7.199 3.900 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.113 -6.933 5.999 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.040 -7.617 5.240 1.00 0.00 C ATOM 727 CE3 TRP A 47 6.565 -7.775 2.877 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.038 -8.550 5.549 1.00 0.00 C ATOM 729 CZ3 TRP A 47 7.566 -8.715 3.177 1.00 0.00 C ATOM 730 CH2 TRP A 47 7.802 -9.096 4.506 1.00 0.00 C ATOM 0 H TRP A 47 2.126 -6.736 3.525 1.00 0.00 H new ATOM 0 HA TRP A 47 2.973 -5.145 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.103 -5.149 2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.915 -4.400 3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.524 -5.485 5.577 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.017 -7.026 7.010 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.392 -7.490 1.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.217 -8.844 6.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.156 -9.146 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.577 -9.815 4.728 1.00 0.00 H new ATOM 741 N LYS A 48 3.865 -7.157 -0.040 1.00 0.00 N ATOM 742 CA LYS A 48 4.086 -8.329 -0.866 1.00 0.00 C ATOM 743 C LYS A 48 5.524 -8.812 -0.763 1.00 0.00 C ATOM 744 O LYS A 48 6.451 -8.027 -0.940 1.00 0.00 O ATOM 745 CB LYS A 48 3.737 -7.938 -2.304 1.00 0.00 C ATOM 746 CG LYS A 48 3.693 -9.125 -3.262 1.00 0.00 C ATOM 747 CD LYS A 48 3.808 -8.685 -4.730 1.00 0.00 C ATOM 748 CE LYS A 48 5.176 -9.016 -5.324 1.00 0.00 C ATOM 749 NZ LYS A 48 5.142 -9.028 -6.799 1.00 0.00 N ATOM 0 H LYS A 48 4.046 -6.275 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 48 3.459 -9.155 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.768 -7.438 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.470 -7.217 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.505 -9.812 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.761 -9.672 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.031 -9.175 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.633 -7.612 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.908 -8.284 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.505 -9.989 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.114 -9.002 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.670 -9.894 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.619 -8.197 -7.141 1.00 0.00 H new ATOM 763 N GLU A 49 5.700 -10.105 -0.536 1.00 0.00 N ATOM 764 CA GLU A 49 6.974 -10.791 -0.533 1.00 0.00 C ATOM 765 C GLU A 49 6.928 -11.721 -1.736 1.00 0.00 C ATOM 766 O GLU A 49 6.181 -12.701 -1.732 1.00 0.00 O ATOM 767 CB GLU A 49 7.141 -11.583 0.764 1.00 0.00 C ATOM 768 CG GLU A 49 8.483 -12.327 0.828 1.00 0.00 C ATOM 769 CD GLU A 49 8.328 -13.785 1.255 1.00 0.00 C ATOM 770 OE1 GLU A 49 7.809 -14.022 2.376 1.00 0.00 O ATOM 771 OE2 GLU A 49 8.771 -14.693 0.507 1.00 0.00 O ATOM 0 H GLU A 49 4.918 -10.730 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 49 7.817 -10.102 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.064 -10.904 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.326 -12.301 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.963 -12.288 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.144 -11.816 1.528 1.00 0.00 H new ATOM 778 N GLU A 50 7.651 -11.389 -2.799 1.00 0.00 N ATOM 779 CA GLU A 50 7.768 -12.291 -3.933 1.00 0.00 C ATOM 780 C GLU A 50 8.823 -13.330 -3.551 1.00 0.00 C ATOM 781 O GLU A 50 9.929 -12.972 -3.132 1.00 0.00 O ATOM 782 CB GLU A 50 8.105 -11.493 -5.194 1.00 0.00 C ATOM 783 CG GLU A 50 7.934 -12.309 -6.487 1.00 0.00 C ATOM 784 CD GLU A 50 7.154 -11.533 -7.556 1.00 0.00 C ATOM 785 OE1 GLU A 50 7.426 -10.328 -7.779 1.00 0.00 O ATOM 786 OE2 GLU A 50 6.213 -12.102 -8.154 1.00 0.00 O ATOM 0 H GLU A 50 8.160 -10.510 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 50 6.838 -12.810 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.466 -10.611 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.134 -11.138 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.915 -12.579 -6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.413 -13.240 -6.262 1.00 0.00 H new ATOM 793 N SER A 51 8.464 -14.605 -3.611 1.00 0.00 N ATOM 794 CA SER A 51 9.290 -15.757 -3.300 1.00 0.00 C ATOM 795 C SER A 51 9.695 -16.405 -4.625 1.00 0.00 C ATOM 796 O SER A 51 9.318 -15.922 -5.697 1.00 0.00 O ATOM 797 CB SER A 51 8.520 -16.727 -2.391 1.00 0.00 C ATOM 798 OG SER A 51 7.653 -16.088 -1.457 1.00 0.00 O ATOM 0 H SER A 51 7.524 -14.877 -3.898 1.00 0.00 H new ATOM 0 HA SER A 51 10.188 -15.466 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.932 -17.401 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.236 -17.341 -1.844 1.00 0.00 H new ATOM 0 HG SER A 51 8.187 -15.611 -0.788 1.00 0.00 H new ATOM 804 N ASP A 52 10.490 -17.472 -4.566 1.00 0.00 N ATOM 805 CA ASP A 52 11.080 -18.157 -5.721 1.00 0.00 C ATOM 806 C ASP A 52 10.097 -18.339 -6.876 1.00 0.00 C ATOM 807 O ASP A 52 10.448 -18.028 -8.012 1.00 0.00 O ATOM 808 CB ASP A 52 11.695 -19.497 -5.302 1.00 0.00 C ATOM 809 CG ASP A 52 13.153 -19.311 -4.914 1.00 0.00 C ATOM 810 OD1 ASP A 52 14.011 -19.318 -5.821 1.00 0.00 O ATOM 811 OD2 ASP A 52 13.440 -19.126 -3.708 1.00 0.00 O ATOM 0 H ASP A 52 10.753 -17.902 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 52 11.873 -17.510 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.139 -19.913 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.618 -20.212 -6.121 1.00 0.00 H new ATOM 816 N ASN A 53 8.872 -18.804 -6.612 1.00 0.00 N ATOM 817 CA ASN A 53 7.815 -18.890 -7.620 1.00 0.00 C ATOM 818 C ASN A 53 6.438 -18.649 -6.980 1.00 0.00 C ATOM 819 O ASN A 53 5.426 -19.187 -7.430 1.00 0.00 O ATOM 820 CB ASN A 53 7.895 -20.230 -8.375 1.00 0.00 C ATOM 821 CG ASN A 53 7.358 -20.079 -9.793 1.00 0.00 C ATOM 822 OD1 ASN A 53 8.125 -19.933 -10.742 1.00 0.00 O ATOM 823 ND2 ASN A 53 6.051 -20.066 -9.980 1.00 0.00 N ATOM 0 H ASN A 53 8.586 -19.132 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 53 7.961 -18.103 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.929 -20.575 -8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.322 -20.989 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.671 -19.934 -10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.421 -20.188 -9.187 1.00 0.00 H new ATOM 830 N ALA A 54 6.378 -17.880 -5.889 1.00 0.00 N ATOM 831 CA ALA A 54 5.156 -17.649 -5.131 1.00 0.00 C ATOM 832 C ALA A 54 5.141 -16.197 -4.696 1.00 0.00 C ATOM 833 O ALA A 54 6.149 -15.505 -4.835 1.00 0.00 O ATOM 834 CB ALA A 54 5.116 -18.588 -3.928 1.00 0.00 C ATOM 0 H ALA A 54 7.190 -17.396 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 54 4.275 -17.851 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.201 -18.414 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.139 -19.622 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.979 -18.399 -3.290 1.00 0.00 H new ATOM 840 N VAL A 55 4.009 -15.715 -4.196 1.00 0.00 N ATOM 841 CA VAL A 55 3.881 -14.307 -3.831 1.00 0.00 C ATOM 842 C VAL A 55 3.083 -14.254 -2.521 1.00 0.00 C ATOM 843 O VAL A 55 1.861 -14.412 -2.528 1.00 0.00 O ATOM 844 CB VAL A 55 3.285 -13.515 -5.029 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.451 -12.000 -4.869 1.00 0.00 C ATOM 846 CG2 VAL A 55 3.942 -13.821 -6.390 1.00 0.00 C ATOM 0 H VAL A 55 3.171 -16.273 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 55 4.834 -13.816 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 55 2.243 -13.834 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.018 -11.493 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.942 -11.672 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.511 -11.756 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.464 -13.225 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.003 -13.575 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.824 -14.880 -6.621 1.00 0.00 H new ATOM 856 N CYS A 56 3.750 -14.093 -1.376 1.00 0.00 N ATOM 857 CA CYS A 56 3.116 -14.066 -0.061 1.00 0.00 C ATOM 858 C CYS A 56 2.810 -12.633 0.362 1.00 0.00 C ATOM 859 O CYS A 56 3.721 -11.821 0.511 1.00 0.00 O ATOM 860 CB CYS A 56 4.025 -14.717 0.981 1.00 0.00 C ATOM 861 SG CYS A 56 4.038 -16.509 0.749 1.00 0.00 S ATOM 0 H CYS A 56 4.763 -13.976 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 56 2.182 -14.624 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.037 -14.322 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.676 -14.474 1.984 1.00 0.00 H new ATOM 0 HG CYS A 56 4.815 -17.056 1.637 1.00 0.00 H new ATOM 867 N LEU A 57 1.540 -12.320 0.605 1.00 0.00 N ATOM 868 CA LEU A 57 1.120 -11.029 1.135 1.00 0.00 C ATOM 869 C LEU A 57 1.139 -11.078 2.649 1.00 0.00 C ATOM 870 O LEU A 57 0.284 -11.714 3.254 1.00 0.00 O ATOM 871 CB LEU A 57 -0.265 -10.648 0.587 1.00 0.00 C ATOM 872 CG LEU A 57 -0.049 -9.839 -0.695 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.276 -9.831 -1.598 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.358 -8.401 -0.403 1.00 0.00 C ATOM 0 H LEU A 57 0.767 -12.963 0.437 1.00 0.00 H new ATOM 0 HA LEU A 57 1.814 -10.253 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.854 -11.541 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.819 -10.062 1.321 1.00 0.00 H new ATOM 0 HG LEU A 57 0.764 -10.343 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.066 -9.243 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.523 -10.853 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.118 -9.391 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.500 -7.865 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.424 -7.913 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.289 -8.394 0.163 1.00 0.00 H new ATOM 886 N HIS A 58 2.131 -10.435 3.259 1.00 0.00 N ATOM 887 CA HIS A 58 2.249 -10.281 4.702 1.00 0.00 C ATOM 888 C HIS A 58 1.273 -9.188 5.143 1.00 0.00 C ATOM 889 O HIS A 58 1.560 -8.009 4.943 1.00 0.00 O ATOM 890 CB HIS A 58 3.695 -9.899 5.056 1.00 0.00 C ATOM 891 CG HIS A 58 4.762 -10.955 4.840 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.621 -11.451 5.811 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.147 -11.493 3.639 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.497 -12.271 5.207 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.219 -12.331 3.894 1.00 0.00 N ATOM 0 H HIS A 58 2.895 -9.995 2.747 1.00 0.00 H new ATOM 0 HA HIS A 58 2.008 -11.212 5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.966 -9.020 4.471 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.719 -9.603 6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.699 -11.299 2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.300 -12.800 5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.713 -12.897 3.204 1.00 0.00 H new ATOM 904 N LEU A 59 0.122 -9.551 5.711 1.00 0.00 N ATOM 905 CA LEU A 59 -0.930 -8.619 6.118 1.00 0.00 C ATOM 906 C LEU A 59 -0.651 -8.139 7.532 1.00 0.00 C ATOM 907 O LEU A 59 -0.349 -8.954 8.404 1.00 0.00 O ATOM 908 CB LEU A 59 -2.302 -9.332 6.097 1.00 0.00 C ATOM 909 CG LEU A 59 -3.507 -8.385 6.305 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.297 -8.152 5.012 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.476 -9.012 7.307 1.00 0.00 C ATOM 0 H LEU A 59 -0.110 -10.525 5.905 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.947 -7.775 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.418 -9.846 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.315 -10.096 6.875 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.103 -7.436 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.132 -7.481 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.644 -7.706 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.677 -9.104 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.327 -8.347 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.827 -9.970 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.966 -9.167 8.258 1.00 0.00 H new ATOM 923 N ARG A 60 -0.748 -6.831 7.778 1.00 0.00 N ATOM 924 CA ARG A 60 -0.632 -6.333 9.138 1.00 0.00 C ATOM 925 C ARG A 60 -1.841 -6.830 9.898 1.00 0.00 C ATOM 926 O ARG A 60 -2.983 -6.642 9.468 1.00 0.00 O ATOM 927 CB ARG A 60 -0.494 -4.805 9.213 1.00 0.00 C ATOM 928 CG ARG A 60 0.989 -4.376 9.176 1.00 0.00 C ATOM 929 CD ARG A 60 1.388 -3.548 10.407 1.00 0.00 C ATOM 930 NE ARG A 60 1.255 -2.096 10.177 1.00 0.00 N ATOM 931 CZ ARG A 60 1.646 -1.148 11.038 1.00 0.00 C ATOM 932 NH1 ARG A 60 1.911 -1.457 12.302 1.00 0.00 N ATOM 933 NH2 ARG A 60 1.793 0.115 10.644 1.00 0.00 N ATOM 0 H ARG A 60 -0.903 -6.116 7.067 1.00 0.00 H new ATOM 0 HA ARG A 60 0.288 -6.710 9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.029 -4.348 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.958 -4.440 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.620 -5.263 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.174 -3.793 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.765 -3.837 11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.419 -3.777 10.677 1.00 0.00 H new ATOM 0 HE ARG A 60 0.835 -1.793 9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.817 -2.421 12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.208 -0.730 12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.607 0.372 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.092 0.826 11.312 1.00 0.00 H new ATOM 947 N SER A 61 -1.587 -7.407 11.069 1.00 0.00 N ATOM 948 CA SER A 61 -2.625 -7.949 11.923 1.00 0.00 C ATOM 949 C SER A 61 -3.605 -6.843 12.354 1.00 0.00 C ATOM 950 O SER A 61 -4.743 -7.128 12.717 1.00 0.00 O ATOM 951 CB SER A 61 -1.970 -8.697 13.095 1.00 0.00 C ATOM 952 OG SER A 61 -2.847 -9.635 13.686 1.00 0.00 O ATOM 0 H SER A 61 -0.646 -7.510 11.450 1.00 0.00 H new ATOM 0 HA SER A 61 -3.231 -8.675 11.380 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.076 -9.210 12.742 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.648 -7.978 13.848 1.00 0.00 H new ATOM 0 HG SER A 61 -3.209 -10.226 12.993 1.00 0.00 H new ATOM 958 N SER A 62 -3.246 -5.566 12.188 1.00 0.00 N ATOM 959 CA SER A 62 -4.100 -4.411 12.435 1.00 0.00 C ATOM 960 C SER A 62 -5.441 -4.542 11.687 1.00 0.00 C ATOM 961 O SER A 62 -6.487 -4.133 12.197 1.00 0.00 O ATOM 962 CB SER A 62 -3.344 -3.149 11.996 1.00 0.00 C ATOM 963 OG SER A 62 -1.956 -3.233 12.292 1.00 0.00 O ATOM 0 H SER A 62 -2.315 -5.304 11.865 1.00 0.00 H new ATOM 0 HA SER A 62 -4.335 -4.348 13.497 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.478 -2.999 10.925 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.770 -2.279 12.495 1.00 0.00 H new ATOM 0 HG SER A 62 -1.508 -2.413 11.997 1.00 0.00 H new ATOM 969 N GLN A 63 -5.424 -5.194 10.519 1.00 0.00 N ATOM 970 CA GLN A 63 -6.585 -5.536 9.696 1.00 0.00 C ATOM 971 C GLN A 63 -6.804 -7.050 9.540 1.00 0.00 C ATOM 972 O GLN A 63 -7.519 -7.464 8.625 1.00 0.00 O ATOM 973 CB GLN A 63 -6.554 -4.767 8.355 1.00 0.00 C ATOM 974 CG GLN A 63 -7.303 -3.423 8.382 1.00 0.00 C ATOM 975 CD GLN A 63 -6.846 -2.388 9.405 1.00 0.00 C ATOM 976 OE1 GLN A 63 -7.674 -1.788 10.085 1.00 0.00 O ATOM 977 NE2 GLN A 63 -5.568 -2.087 9.496 1.00 0.00 N ATOM 0 H GLN A 63 -4.550 -5.514 10.101 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.472 -5.201 10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.516 -4.586 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.988 -5.396 7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.227 -2.975 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.359 -3.629 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.884 -2.588 8.929 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.261 -1.352 10.134 1.00 0.00 H new ATOM 986 N ARG A 64 -6.306 -7.897 10.452 1.00 0.00 N ATOM 987 CA ARG A 64 -6.540 -9.344 10.368 1.00 0.00 C ATOM 988 C ARG A 64 -8.028 -9.690 10.380 1.00 0.00 C ATOM 989 O ARG A 64 -8.397 -10.735 9.857 1.00 0.00 O ATOM 990 CB ARG A 64 -5.831 -10.113 11.488 1.00 0.00 C ATOM 991 CG ARG A 64 -6.242 -9.807 12.943 1.00 0.00 C ATOM 992 CD ARG A 64 -6.712 -11.056 13.691 1.00 0.00 C ATOM 993 NE ARG A 64 -8.119 -11.365 13.410 1.00 0.00 N ATOM 994 CZ ARG A 64 -9.169 -10.921 14.109 1.00 0.00 C ATOM 995 NH1 ARG A 64 -9.024 -10.166 15.196 1.00 0.00 N ATOM 996 NH2 ARG A 64 -10.379 -11.236 13.675 1.00 0.00 N ATOM 0 H ARG A 64 -5.742 -7.607 11.251 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.117 -9.653 9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.986 -11.178 11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.761 -9.927 11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.396 -9.367 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.040 -9.064 12.944 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.090 -11.905 13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.580 -10.909 14.763 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.313 -11.971 12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.091 -9.910 15.518 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.846 -9.844 15.706 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.488 -11.800 12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.203 -10.914 14.183 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.905 -8.817 10.892 1.00 0.00 N ATOM 1011 CA HIS A 65 -10.351 -9.013 10.823 1.00 0.00 C ATOM 1012 C HIS A 65 -10.917 -9.013 9.391 1.00 0.00 C ATOM 1013 O HIS A 65 -12.128 -9.141 9.231 1.00 0.00 O ATOM 1014 CB HIS A 65 -11.081 -8.045 11.771 1.00 0.00 C ATOM 1015 CG HIS A 65 -10.991 -6.552 11.511 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -11.572 -5.581 12.309 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -10.379 -5.913 10.466 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -11.359 -4.386 11.729 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -10.648 -4.562 10.602 1.00 0.00 N ATOM 0 H HIS A 65 -8.628 -7.957 11.365 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.547 -10.025 11.177 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.137 -8.316 11.769 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.707 -8.227 12.779 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.796 -6.376 9.683 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.705 -3.436 12.109 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.357 -3.827 9.958 1.00 0.00 H new ATOM 1028 N LEU A 66 -10.094 -8.810 8.356 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.462 -8.915 6.942 1.00 0.00 C ATOM 1030 C LEU A 66 -9.764 -10.107 6.272 1.00 0.00 C ATOM 1031 O LEU A 66 -10.046 -10.409 5.111 1.00 0.00 O ATOM 1032 CB LEU A 66 -10.081 -7.623 6.185 1.00 0.00 C ATOM 1033 CG LEU A 66 -11.137 -6.503 6.102 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -12.528 -6.998 5.695 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -11.245 -5.743 7.416 1.00 0.00 C ATOM 0 H LEU A 66 -9.114 -8.558 8.487 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.541 -9.064 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.189 -7.209 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.805 -7.900 5.167 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.782 -5.838 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.218 -6.155 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.474 -7.467 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.883 -7.725 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.998 -4.961 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.532 -6.431 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.282 -5.293 7.656 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.833 -10.770 6.966 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.007 -11.843 6.431 1.00 0.00 C ATOM 1049 C ASN A 67 -8.884 -13.077 6.241 1.00 0.00 C ATOM 1050 O ASN A 67 -9.124 -13.803 7.212 1.00 0.00 O ATOM 1051 CB ASN A 67 -6.842 -12.123 7.406 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.774 -13.035 6.812 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.963 -13.614 5.746 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.643 -13.187 7.478 1.00 0.00 N ATOM 0 H ASN A 67 -8.632 -10.564 7.945 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.580 -11.564 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.384 -11.178 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.237 -12.579 8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.911 -13.793 7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.502 -12.699 8.362 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.438 -13.295 5.045 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.242 -14.481 4.758 1.00 0.00 C ATOM 1063 C ASN A 68 -9.808 -15.148 3.455 1.00 0.00 C ATOM 1064 O ASN A 68 -9.251 -14.507 2.563 1.00 0.00 O ATOM 1065 CB ASN A 68 -11.746 -14.167 4.826 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.307 -13.604 3.534 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.645 -14.363 2.634 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -12.435 -12.300 3.399 1.00 0.00 N ATOM 0 H ASN A 68 -9.341 -12.657 4.255 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.059 -15.219 5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.288 -15.078 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.924 -13.454 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.819 -11.912 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.150 -11.678 4.156 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.091 -16.446 3.340 1.00 0.00 N ATOM 1076 CA ARG A 69 -9.645 -17.278 2.221 1.00 0.00 C ATOM 1077 C ARG A 69 -10.338 -16.879 0.919 1.00 0.00 C ATOM 1078 O ARG A 69 -9.727 -16.926 -0.141 1.00 0.00 O ATOM 1079 CB ARG A 69 -9.879 -18.754 2.574 1.00 0.00 C ATOM 1080 CG ARG A 69 -9.006 -19.185 3.771 1.00 0.00 C ATOM 1081 CD ARG A 69 -9.543 -20.399 4.543 1.00 0.00 C ATOM 1082 NE ARG A 69 -8.906 -21.671 4.171 1.00 0.00 N ATOM 1083 CZ ARG A 69 -7.794 -22.186 4.713 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -6.976 -21.448 5.455 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -7.515 -23.466 4.511 1.00 0.00 N ATOM 0 H ARG A 69 -10.643 -16.956 4.030 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.579 -17.124 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.931 -18.912 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.651 -19.378 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.003 -19.414 3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.913 -18.344 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.400 -20.231 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.617 -20.479 4.374 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.353 -22.212 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.188 -20.465 5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.136 -21.865 5.856 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.143 -24.042 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.673 -23.874 4.916 1.00 0.00 H new ATOM 1099 N GLY A 70 -11.587 -16.431 0.973 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.280 -15.904 -0.190 1.00 0.00 C ATOM 1101 C GLY A 70 -11.620 -14.613 -0.677 1.00 0.00 C ATOM 1102 O GLY A 70 -11.537 -14.401 -1.890 1.00 0.00 O ATOM 0 H GLY A 70 -12.146 -16.424 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.274 -16.645 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.324 -15.713 0.059 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.110 -13.751 0.219 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.368 -12.572 -0.209 1.00 0.00 C ATOM 1108 C ALA A 71 -9.121 -13.020 -0.963 1.00 0.00 C ATOM 1109 O ALA A 71 -8.906 -12.567 -2.086 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.018 -11.647 0.961 1.00 0.00 C ATOM 0 H ALA A 71 -11.201 -13.853 1.230 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.002 -11.983 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.466 -10.784 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.935 -11.310 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.404 -12.188 1.681 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.344 -13.944 -0.382 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.176 -14.543 -1.021 1.00 0.00 C ATOM 1118 C GLN A 72 -7.526 -15.066 -2.407 1.00 0.00 C ATOM 1119 O GLN A 72 -6.783 -14.793 -3.337 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.617 -15.688 -0.150 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.420 -16.458 -0.753 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.182 -17.823 -0.095 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -6.037 -18.375 0.600 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -4.039 -18.437 -0.338 1.00 0.00 N ATOM 0 H GLN A 72 -8.516 -14.298 0.559 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.413 -13.772 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.314 -15.275 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.421 -16.397 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.590 -16.602 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.520 -15.852 -0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.329 -17.984 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.866 -19.365 0.049 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.638 -15.784 -2.556 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.025 -16.448 -3.786 1.00 0.00 C ATOM 1135 C GLN A 73 -9.128 -15.442 -4.924 1.00 0.00 C ATOM 1136 O GLN A 73 -8.526 -15.616 -5.986 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.357 -17.163 -3.524 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.904 -17.991 -4.693 1.00 0.00 C ATOM 1139 CD GLN A 73 -12.346 -18.433 -4.444 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -13.001 -18.023 -3.482 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -12.879 -19.274 -5.307 1.00 0.00 N ATOM 0 H GLN A 73 -9.309 -15.920 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.276 -17.179 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.233 -17.820 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.102 -16.416 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.856 -17.403 -5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.275 -18.868 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.330 -19.608 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.840 -19.591 -5.183 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.885 -14.369 -4.697 1.00 0.00 N ATOM 1151 CA LYS A 74 -10.062 -13.371 -5.746 1.00 0.00 C ATOM 1152 C LYS A 74 -8.778 -12.565 -5.951 1.00 0.00 C ATOM 1153 O LYS A 74 -8.449 -12.221 -7.087 1.00 0.00 O ATOM 1154 CB LYS A 74 -11.297 -12.507 -5.470 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.567 -11.589 -6.671 1.00 0.00 C ATOM 1156 CD LYS A 74 -13.045 -11.265 -6.912 1.00 0.00 C ATOM 1157 CE LYS A 74 -13.652 -10.323 -5.870 1.00 0.00 C ATOM 1158 NZ LYS A 74 -14.260 -11.032 -4.728 1.00 0.00 N ATOM 0 H LYS A 74 -10.372 -14.173 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.254 -13.874 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.163 -13.142 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.141 -11.910 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.024 -10.655 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.161 -12.058 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.152 -10.816 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.614 -12.195 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.876 -9.652 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.409 -9.702 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.653 -10.340 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.021 -11.653 -5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.536 -11.604 -4.249 1.00 0.00 H new ATOM 1172 N LEU A 75 -8.017 -12.299 -4.883 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.720 -11.645 -5.002 1.00 0.00 C ATOM 1174 C LEU A 75 -5.774 -12.536 -5.835 1.00 0.00 C ATOM 1175 O LEU A 75 -4.940 -12.019 -6.574 1.00 0.00 O ATOM 1176 CB LEU A 75 -6.167 -11.353 -3.587 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.402 -10.033 -3.369 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.921 -9.993 -1.907 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -4.232 -9.769 -4.321 1.00 0.00 C ATOM 0 H LEU A 75 -8.283 -12.530 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.812 -10.691 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.005 -11.373 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.504 -12.173 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.107 -9.233 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.376 -9.066 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.781 -10.042 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.265 -10.842 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.770 -8.813 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.495 -10.565 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.598 -9.740 -5.347 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.909 -13.866 -5.751 1.00 0.00 N ATOM 1192 CA ALA A 76 -5.011 -14.831 -6.375 1.00 0.00 C ATOM 1193 C ALA A 76 -5.259 -14.886 -7.860 1.00 0.00 C ATOM 1194 O ALA A 76 -4.302 -14.889 -8.627 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.181 -16.222 -5.761 1.00 0.00 C ATOM 0 H ALA A 76 -6.668 -14.307 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.987 -14.505 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.499 -16.920 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.958 -16.179 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.207 -16.560 -5.904 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.522 -14.901 -8.267 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.907 -14.826 -9.665 1.00 0.00 C ATOM 1203 C GLU A 77 -6.348 -13.542 -10.280 1.00 0.00 C ATOM 1204 O GLU A 77 -5.826 -13.569 -11.392 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.437 -14.877 -9.720 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.987 -14.814 -11.148 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.388 -15.411 -11.229 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -10.547 -16.621 -10.949 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -11.340 -14.708 -11.645 1.00 0.00 O ATOM 0 H GLU A 77 -7.314 -14.966 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.502 -15.657 -10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.782 -15.795 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.844 -14.047 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.011 -13.778 -11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.320 -15.353 -11.821 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.395 -12.432 -9.540 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.865 -11.152 -9.979 1.00 0.00 C ATOM 1218 C ALA A 78 -4.342 -11.235 -10.133 1.00 0.00 C ATOM 1219 O ALA A 78 -3.827 -10.900 -11.195 1.00 0.00 O ATOM 1220 CB ALA A 78 -6.323 -10.050 -9.011 1.00 0.00 C ATOM 0 H ALA A 78 -6.809 -12.403 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.256 -10.894 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.926 -9.089 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.412 -10.007 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.956 -10.271 -8.009 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.611 -11.725 -9.125 1.00 0.00 N ATOM 1227 CA LEU A 79 -2.154 -11.880 -9.210 1.00 0.00 C ATOM 1228 C LEU A 79 -1.749 -12.841 -10.325 1.00 0.00 C ATOM 1229 O LEU A 79 -0.774 -12.578 -11.025 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.554 -12.339 -7.866 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.728 -11.213 -7.224 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.456 -11.517 -5.750 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.627 -10.963 -7.920 1.00 0.00 C ATOM 0 H LEU A 79 -4.009 -12.023 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.749 -10.897 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.354 -12.640 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.923 -13.214 -8.024 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.334 -10.314 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.130 -10.708 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.402 -11.608 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.098 -12.452 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.153 -10.155 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.230 -11.870 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.456 -10.687 -8.960 1.00 0.00 H new ATOM 1245 N SER A 80 -2.503 -13.926 -10.504 1.00 0.00 N ATOM 1246 CA SER A 80 -2.285 -14.903 -11.566 1.00 0.00 C ATOM 1247 C SER A 80 -2.417 -14.206 -12.923 1.00 0.00 C ATOM 1248 O SER A 80 -1.576 -14.380 -13.807 1.00 0.00 O ATOM 1249 CB SER A 80 -3.299 -16.051 -11.421 1.00 0.00 C ATOM 1250 OG SER A 80 -3.144 -16.711 -10.175 1.00 0.00 O ATOM 0 H SER A 80 -3.296 -14.153 -9.903 1.00 0.00 H new ATOM 0 HA SER A 80 -1.283 -15.327 -11.494 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.312 -15.659 -11.505 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.165 -16.765 -12.234 1.00 0.00 H new ATOM 0 HG SER A 80 -3.689 -16.261 -9.496 1.00 0.00 H new ATOM 1256 N MET A 81 -3.445 -13.365 -13.068 1.00 0.00 N ATOM 1257 CA MET A 81 -3.715 -12.644 -14.295 1.00 0.00 C ATOM 1258 C MET A 81 -2.585 -11.661 -14.555 1.00 0.00 C ATOM 1259 O MET A 81 -2.027 -11.630 -15.648 1.00 0.00 O ATOM 1260 CB MET A 81 -5.052 -11.894 -14.196 1.00 0.00 C ATOM 1261 CG MET A 81 -5.664 -11.784 -15.585 1.00 0.00 C ATOM 1262 SD MET A 81 -6.618 -13.244 -16.068 1.00 0.00 S ATOM 1263 CE MET A 81 -8.169 -12.865 -15.213 1.00 0.00 C ATOM 0 H MET A 81 -4.115 -13.170 -12.324 1.00 0.00 H new ATOM 0 HA MET A 81 -3.781 -13.354 -15.120 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.731 -12.422 -13.526 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.896 -10.901 -13.774 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.312 -10.908 -15.620 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.869 -11.622 -16.313 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.889 -13.662 -15.396 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.983 -12.782 -14.142 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.569 -11.922 -15.586 1.00 0.00 H new ATOM 1273 N LEU A 82 -2.235 -10.872 -13.539 1.00 0.00 N ATOM 1274 CA LEU A 82 -1.230 -9.824 -13.607 1.00 0.00 C ATOM 1275 C LEU A 82 0.103 -10.403 -14.041 1.00 0.00 C ATOM 1276 O LEU A 82 0.742 -9.861 -14.943 1.00 0.00 O ATOM 1277 CB LEU A 82 -1.140 -9.178 -12.223 1.00 0.00 C ATOM 1278 CG LEU A 82 0.144 -8.390 -11.906 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.248 -7.108 -12.735 1.00 0.00 C ATOM 1280 CD2 LEU A 82 0.154 -8.049 -10.414 1.00 0.00 C ATOM 0 H LEU A 82 -2.662 -10.952 -12.616 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.503 -9.069 -14.345 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.989 -8.504 -12.107 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.251 -9.962 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 82 1.003 -9.010 -12.163 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.169 -6.583 -12.480 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.256 -7.360 -13.795 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.607 -6.466 -12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.059 -7.490 -10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.720 -7.444 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.131 -8.969 -9.830 1.00 0.00 H new ATOM 1292 N LYS A 83 0.542 -11.476 -13.378 1.00 0.00 N ATOM 1293 CA LYS A 83 1.843 -12.050 -13.673 1.00 0.00 C ATOM 1294 C LYS A 83 1.830 -12.781 -15.015 1.00 0.00 C ATOM 1295 O LYS A 83 2.899 -12.996 -15.582 1.00 0.00 O ATOM 1296 CB LYS A 83 2.311 -12.946 -12.510 1.00 0.00 C ATOM 1297 CG LYS A 83 3.843 -12.907 -12.440 1.00 0.00 C ATOM 1298 CD LYS A 83 4.446 -13.611 -11.222 1.00 0.00 C ATOM 1299 CE LYS A 83 5.959 -13.360 -11.258 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.658 -13.944 -10.102 1.00 0.00 N ATOM 0 H LYS A 83 0.019 -11.954 -12.644 1.00 0.00 H new ATOM 0 HA LYS A 83 2.571 -11.245 -13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.882 -12.599 -11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.966 -13.969 -12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.246 -13.365 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.167 -11.866 -12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.013 -13.223 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.232 -14.679 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.371 -13.778 -12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.145 -12.286 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.676 -13.746 -10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.286 -13.527 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.506 -14.973 -10.088 1.00 0.00 H new ATOM 1314 N GLY A 84 0.661 -13.157 -15.542 1.00 0.00 N ATOM 1315 CA GLY A 84 0.574 -13.948 -16.760 1.00 0.00 C ATOM 1316 C GLY A 84 1.213 -15.323 -16.567 1.00 0.00 C ATOM 1317 O GLY A 84 1.692 -15.921 -17.531 1.00 0.00 O ATOM 0 H GLY A 84 -0.244 -12.920 -15.134 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.471 -14.066 -17.048 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.072 -13.423 -17.575 1.00 0.00 H new ATOM 1321 N SER A 85 1.300 -15.796 -15.323 1.00 0.00 N ATOM 1322 CA SER A 85 1.758 -17.120 -14.950 1.00 0.00 C ATOM 1323 C SER A 85 0.890 -17.606 -13.792 1.00 0.00 C ATOM 1324 O SER A 85 0.006 -16.889 -13.310 1.00 0.00 O ATOM 1325 CB SER A 85 3.254 -17.066 -14.585 1.00 0.00 C ATOM 1326 OG SER A 85 3.521 -16.246 -13.456 1.00 0.00 O ATOM 0 H SER A 85 1.038 -15.232 -14.514 1.00 0.00 H new ATOM 0 HA SER A 85 1.661 -17.825 -15.776 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.610 -18.077 -14.385 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.818 -16.692 -15.440 1.00 0.00 H new ATOM 0 HG SER A 85 4.483 -16.250 -13.269 1.00 0.00 H new ATOM 1332 N THR A 86 1.110 -18.833 -13.350 1.00 0.00 N ATOM 1333 CA THR A 86 0.463 -19.370 -12.168 1.00 0.00 C ATOM 1334 C THR A 86 1.206 -18.716 -10.985 1.00 0.00 C ATOM 1335 O THR A 86 2.407 -18.438 -11.081 1.00 0.00 O ATOM 1336 CB THR A 86 0.566 -20.900 -12.256 1.00 0.00 C ATOM 1337 OG1 THR A 86 -0.133 -21.298 -13.422 1.00 0.00 O ATOM 1338 CG2 THR A 86 -0.073 -21.643 -11.092 1.00 0.00 C ATOM 0 H THR A 86 1.747 -19.487 -13.805 1.00 0.00 H new ATOM 0 HA THR A 86 -0.600 -19.154 -12.056 1.00 0.00 H new ATOM 0 HB THR A 86 1.628 -21.146 -12.255 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.088 -22.273 -13.514 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.046 -22.717 -11.236 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.410 -21.346 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.134 -21.399 -11.043 1.00 0.00 H new ATOM 1346 N VAL A 87 0.491 -18.385 -9.908 1.00 0.00 N ATOM 1347 CA VAL A 87 1.030 -17.656 -8.765 1.00 0.00 C ATOM 1348 C VAL A 87 0.451 -18.264 -7.496 1.00 0.00 C ATOM 1349 O VAL A 87 -0.770 -18.309 -7.329 1.00 0.00 O ATOM 1350 CB VAL A 87 0.671 -16.160 -8.870 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.074 -15.404 -7.596 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.340 -15.490 -10.079 1.00 0.00 C ATOM 0 H VAL A 87 -0.496 -18.622 -9.807 1.00 0.00 H new ATOM 0 HA VAL A 87 2.117 -17.734 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.410 -16.112 -8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.809 -14.352 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.550 -15.829 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.150 -15.494 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.059 -14.437 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.423 -15.574 -9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.013 -15.983 -10.995 1.00 0.00 H new ATOM 1362 N GLU A 88 1.315 -18.706 -6.586 1.00 0.00 N ATOM 1363 CA GLU A 88 0.884 -19.183 -5.284 1.00 0.00 C ATOM 1364 C GLU A 88 0.757 -17.943 -4.412 1.00 0.00 C ATOM 1365 O GLU A 88 1.699 -17.532 -3.726 1.00 0.00 O ATOM 1366 CB GLU A 88 1.850 -20.246 -4.731 1.00 0.00 C ATOM 1367 CG GLU A 88 1.446 -21.679 -5.113 1.00 0.00 C ATOM 1368 CD GLU A 88 1.262 -21.941 -6.608 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.151 -21.690 -7.139 1.00 0.00 O ATOM 1370 OE2 GLU A 88 2.181 -22.524 -7.230 1.00 0.00 O ATOM 0 H GLU A 88 2.324 -18.742 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.075 -19.700 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.854 -20.046 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.891 -20.163 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.205 -22.364 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.514 -21.922 -4.603 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.410 -17.301 -4.491 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.731 -16.180 -3.632 1.00 0.00 C ATOM 1379 C LEU A 89 -1.129 -16.752 -2.286 1.00 0.00 C ATOM 1380 O LEU A 89 -2.186 -17.376 -2.180 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.830 -15.292 -4.217 1.00 0.00 C ATOM 1382 CG LEU A 89 -2.437 -14.346 -3.157 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -1.484 -13.425 -2.416 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -3.402 -13.395 -3.822 1.00 0.00 C ATOM 0 H LEU A 89 -1.148 -17.548 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 89 0.137 -15.528 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.421 -14.702 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.617 -15.919 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.865 -15.047 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.044 -12.818 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.744 -14.021 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.979 -12.774 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.830 -12.728 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.874 -12.807 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.200 -13.962 -4.301 1.00 0.00 H new ATOM 1396 N THR A 90 -0.306 -16.514 -1.274 1.00 0.00 N ATOM 1397 CA THR A 90 -0.578 -16.877 0.108 1.00 0.00 C ATOM 1398 C THR A 90 -0.770 -15.562 0.870 1.00 0.00 C ATOM 1399 O THR A 90 -0.208 -14.538 0.476 1.00 0.00 O ATOM 1400 CB THR A 90 0.619 -17.687 0.638 1.00 0.00 C ATOM 1401 OG1 THR A 90 1.095 -18.602 -0.349 1.00 0.00 O ATOM 1402 CG2 THR A 90 0.340 -18.488 1.910 1.00 0.00 C ATOM 0 H THR A 90 0.594 -16.050 -1.396 1.00 0.00 H new ATOM 0 HA THR A 90 -1.469 -17.495 0.223 1.00 0.00 H new ATOM 0 HB THR A 90 1.363 -16.928 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.856 -19.104 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.241 -19.025 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.042 -17.809 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.462 -19.201 1.722 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.536 -15.570 1.953 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.697 -14.421 2.840 1.00 0.00 C ATOM 1412 C ILE A 91 -1.033 -14.873 4.132 1.00 0.00 C ATOM 1413 O ILE A 91 -1.504 -15.810 4.789 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.173 -14.010 3.097 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.103 -14.069 1.874 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.226 -12.594 3.705 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.818 -13.016 0.802 1.00 0.00 C ATOM 0 H ILE A 91 -2.072 -16.387 2.246 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.257 -13.528 2.396 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.553 -14.762 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.024 -15.058 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.133 -13.954 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.264 -12.313 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.681 -12.583 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.771 -11.884 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.523 -13.135 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.927 -12.020 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.801 -13.141 0.430 1.00 0.00 H new ATOM 1429 N VAL A 92 0.091 -14.272 4.479 1.00 0.00 N ATOM 1430 CA VAL A 92 0.755 -14.503 5.753 1.00 0.00 C ATOM 1431 C VAL A 92 0.414 -13.267 6.601 1.00 0.00 C ATOM 1432 O VAL A 92 -0.188 -12.321 6.089 1.00 0.00 O ATOM 1433 CB VAL A 92 2.237 -14.875 5.552 1.00 0.00 C ATOM 1434 CG1 VAL A 92 2.373 -16.119 4.657 1.00 0.00 C ATOM 1435 CG2 VAL A 92 3.065 -13.741 4.953 1.00 0.00 C ATOM 0 H VAL A 92 0.575 -13.603 3.880 1.00 0.00 H new ATOM 0 HA VAL A 92 0.411 -15.378 6.304 1.00 0.00 H new ATOM 0 HB VAL A 92 2.628 -15.082 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.428 -16.362 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.860 -16.960 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.927 -15.917 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.099 -14.067 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.659 -13.469 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.030 -12.876 5.615 1.00 0.00 H new ATOM 1445 N GLU A 93 0.698 -13.252 7.898 1.00 0.00 N ATOM 1446 CA GLU A 93 0.267 -12.163 8.763 1.00 0.00 C ATOM 1447 C GLU A 93 1.453 -11.692 9.593 1.00 0.00 C ATOM 1448 O GLU A 93 1.940 -12.432 10.449 1.00 0.00 O ATOM 1449 CB GLU A 93 -0.965 -12.624 9.555 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.708 -11.456 10.210 1.00 0.00 C ATOM 1451 CD GLU A 93 -2.987 -11.928 10.899 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -3.909 -12.430 10.208 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -3.095 -11.753 12.138 1.00 0.00 O ATOM 0 H GLU A 93 1.226 -13.984 8.374 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.058 -11.283 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.644 -13.155 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.655 -13.331 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.058 -10.971 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.954 -10.709 9.455 1.00 0.00 H new ATOM 1460 N ASP A 94 1.937 -10.483 9.314 1.00 0.00 N ATOM 1461 CA ASP A 94 3.057 -9.861 10.005 1.00 0.00 C ATOM 1462 C ASP A 94 2.572 -8.554 10.600 1.00 0.00 C ATOM 1463 O ASP A 94 2.382 -7.570 9.891 1.00 0.00 O ATOM 1464 CB ASP A 94 4.259 -9.610 9.087 1.00 0.00 C ATOM 1465 CG ASP A 94 5.453 -9.045 9.873 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.394 -8.973 11.121 1.00 0.00 O ATOM 1467 OD2 ASP A 94 6.509 -8.812 9.240 1.00 0.00 O ATOM 0 H ASP A 94 1.546 -9.894 8.578 1.00 0.00 H new ATOM 0 HA ASP A 94 3.405 -10.543 10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.549 -10.541 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.977 -8.913 8.298 1.00 0.00 H new ATOM 1472 N ASP A 95 2.301 -8.564 11.900 1.00 0.00 N ATOM 1473 CA ASP A 95 1.945 -7.369 12.654 1.00 0.00 C ATOM 1474 C ASP A 95 3.070 -6.333 12.664 1.00 0.00 C ATOM 1475 O ASP A 95 2.776 -5.139 12.749 1.00 0.00 O ATOM 1476 CB ASP A 95 1.592 -7.800 14.084 1.00 0.00 C ATOM 1477 CG ASP A 95 1.521 -6.617 15.042 1.00 0.00 C ATOM 1478 OD1 ASP A 95 0.432 -6.017 15.210 1.00 0.00 O ATOM 1479 OD2 ASP A 95 2.563 -6.290 15.648 1.00 0.00 O ATOM 0 H ASP A 95 2.323 -9.412 12.466 1.00 0.00 H new ATOM 0 HA ASP A 95 1.092 -6.887 12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.633 -8.319 14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.337 -8.511 14.442 1.00 0.00 H new ATOM 1484 N ASN A 96 4.334 -6.742 12.574 1.00 0.00 N ATOM 1485 CA ASN A 96 5.443 -5.809 12.678 1.00 0.00 C ATOM 1486 C ASN A 96 5.573 -5.012 11.376 1.00 0.00 C ATOM 1487 O ASN A 96 5.668 -5.618 10.306 1.00 0.00 O ATOM 1488 CB ASN A 96 6.747 -6.550 12.970 1.00 0.00 C ATOM 1489 CG ASN A 96 7.888 -5.555 13.021 1.00 0.00 C ATOM 1490 OD1 ASN A 96 7.953 -4.727 13.924 1.00 0.00 O ATOM 1491 ND2 ASN A 96 8.797 -5.603 12.073 1.00 0.00 N ATOM 0 H ASN A 96 4.611 -7.713 12.429 1.00 0.00 H new ATOM 0 HA ASN A 96 5.245 -5.124 13.502 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.671 -7.083 13.918 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.935 -7.297 12.199 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.575 -4.944 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.724 -6.299 11.331 1.00 0.00 H new ATOM 1498 N PRO A 97 5.616 -3.669 11.416 1.00 0.00 N ATOM 1499 CA PRO A 97 5.850 -2.857 10.231 1.00 0.00 C ATOM 1500 C PRO A 97 7.333 -2.914 9.816 1.00 0.00 C ATOM 1501 O PRO A 97 8.077 -1.944 9.968 1.00 0.00 O ATOM 1502 CB PRO A 97 5.355 -1.466 10.624 1.00 0.00 C ATOM 1503 CG PRO A 97 5.648 -1.387 12.121 1.00 0.00 C ATOM 1504 CD PRO A 97 5.399 -2.821 12.583 1.00 0.00 C ATOM 0 HA PRO A 97 5.322 -3.206 9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.877 -0.684 10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.292 -1.346 10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.672 -1.069 12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.992 -0.678 12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.077 -3.092 13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.384 -2.936 12.965 1.00 0.00 H new ATOM 1512 N ALA A 98 7.774 -4.059 9.293 1.00 0.00 N ATOM 1513 CA ALA A 98 9.115 -4.259 8.731 1.00 0.00 C ATOM 1514 C ALA A 98 9.249 -3.734 7.306 1.00 0.00 C ATOM 1515 O ALA A 98 10.358 -3.608 6.787 1.00 0.00 O ATOM 1516 CB ALA A 98 9.438 -5.757 8.696 1.00 0.00 C ATOM 0 H ALA A 98 7.194 -4.897 9.246 1.00 0.00 H new ATOM 0 HA ALA A 98 9.801 -3.705 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.434 -5.905 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.405 -6.160 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.705 -6.273 8.076 1.00 0.00 H new ATOM 1522 N VAL A 99 8.113 -3.490 6.669 1.00 0.00 N ATOM 1523 CA VAL A 99 7.975 -3.115 5.276 1.00 0.00 C ATOM 1524 C VAL A 99 6.751 -2.204 5.185 1.00 0.00 C ATOM 1525 O VAL A 99 5.811 -2.327 5.983 1.00 0.00 O ATOM 1526 CB VAL A 99 7.756 -4.412 4.461 1.00 0.00 C ATOM 1527 CG1 VAL A 99 7.630 -4.173 2.954 1.00 0.00 C ATOM 1528 CG2 VAL A 99 8.843 -5.477 4.669 1.00 0.00 C ATOM 0 H VAL A 99 7.212 -3.553 7.142 1.00 0.00 H new ATOM 0 HA VAL A 99 8.852 -2.597 4.888 1.00 0.00 H new ATOM 0 HB VAL A 99 6.811 -4.783 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.478 -5.125 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.780 -3.518 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.541 -3.705 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.614 -6.353 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.810 -5.072 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.877 -5.762 5.721 1.00 0.00 H new ATOM 1538 N ARG A 100 6.745 -1.274 4.232 1.00 0.00 N ATOM 1539 CA ARG A 100 5.592 -0.432 3.946 1.00 0.00 C ATOM 1540 C ARG A 100 4.688 -1.187 2.978 1.00 0.00 C ATOM 1541 O ARG A 100 5.158 -1.694 1.957 1.00 0.00 O ATOM 1542 CB ARG A 100 6.041 0.897 3.317 1.00 0.00 C ATOM 1543 CG ARG A 100 6.712 1.867 4.300 1.00 0.00 C ATOM 1544 CD ARG A 100 5.721 2.527 5.261 1.00 0.00 C ATOM 1545 NE ARG A 100 6.426 3.351 6.256 1.00 0.00 N ATOM 1546 CZ ARG A 100 6.173 3.446 7.568 1.00 0.00 C ATOM 1547 NH1 ARG A 100 5.263 2.673 8.155 1.00 0.00 N ATOM 1548 NH2 ARG A 100 6.856 4.312 8.301 1.00 0.00 N ATOM 0 H ARG A 100 7.549 -1.084 3.633 1.00 0.00 H new ATOM 0 HA ARG A 100 5.058 -0.205 4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.735 0.684 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.174 1.388 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.464 1.329 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.235 2.641 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.021 3.146 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.134 1.761 5.767 1.00 0.00 H new ATOM 0 HE ARG A 100 7.199 3.917 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.742 1.991 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.087 2.763 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.567 4.899 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.671 4.392 9.301 1.00 0.00 H new ATOM 1562 N THR A 101 3.411 -1.316 3.332 1.00 0.00 N ATOM 1563 CA THR A 101 2.394 -1.882 2.454 1.00 0.00 C ATOM 1564 C THR A 101 2.108 -0.798 1.390 1.00 0.00 C ATOM 1565 O THR A 101 2.539 0.344 1.575 1.00 0.00 O ATOM 1566 CB THR A 101 1.146 -2.234 3.288 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.458 -1.055 3.638 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.433 -3.006 4.586 1.00 0.00 C ATOM 0 H THR A 101 3.052 -1.028 4.243 1.00 0.00 H new ATOM 0 HA THR A 101 2.712 -2.804 1.967 1.00 0.00 H new ATOM 0 HB THR A 101 0.556 -2.888 2.647 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.484 -1.137 3.380 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.495 -3.208 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.926 -3.948 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.081 -2.410 5.228 1.00 0.00 H new ATOM 1576 N PRO A 102 1.320 -1.032 0.326 1.00 0.00 N ATOM 1577 CA PRO A 102 1.059 0.018 -0.651 1.00 0.00 C ATOM 1578 C PRO A 102 0.143 1.110 -0.069 1.00 0.00 C ATOM 1579 O PRO A 102 0.034 2.198 -0.639 1.00 0.00 O ATOM 1580 CB PRO A 102 0.463 -0.705 -1.853 1.00 0.00 C ATOM 1581 CG PRO A 102 -0.250 -1.899 -1.246 1.00 0.00 C ATOM 1582 CD PRO A 102 0.532 -2.214 0.030 1.00 0.00 C ATOM 0 HA PRO A 102 1.959 0.560 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.227 -0.065 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.236 -1.016 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.292 -1.667 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.251 -2.748 -1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.144 -2.447 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.174 -3.084 -0.112 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.538 0.834 1.052 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.336 1.804 1.791 1.00 0.00 C ATOM 1592 C LEU A 103 -0.383 2.652 2.623 1.00 0.00 C ATOM 1593 O LEU A 103 -0.401 3.880 2.500 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.352 1.066 2.674 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.411 1.943 3.371 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.509 1.039 3.947 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.845 2.779 4.521 1.00 0.00 C ATOM 0 H LEU A 103 -0.545 -0.094 1.475 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.897 2.451 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.868 0.329 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.805 0.516 3.440 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.793 2.629 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.262 1.652 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.975 0.473 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.071 0.349 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.643 3.372 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.419 2.118 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.069 3.443 4.140 1.00 0.00 H new ATOM 1609 N GLU A 104 0.427 2.001 3.466 1.00 0.00 N ATOM 1610 CA GLU A 104 1.345 2.668 4.377 1.00 0.00 C ATOM 1611 C GLU A 104 2.357 3.487 3.568 1.00 0.00 C ATOM 1612 O GLU A 104 2.701 4.585 3.987 1.00 0.00 O ATOM 1613 CB GLU A 104 2.078 1.651 5.269 1.00 0.00 C ATOM 1614 CG GLU A 104 1.221 0.795 6.213 1.00 0.00 C ATOM 1615 CD GLU A 104 0.491 1.531 7.338 1.00 0.00 C ATOM 1616 OE1 GLU A 104 1.039 1.632 8.460 1.00 0.00 O ATOM 1617 OE2 GLU A 104 -0.705 1.857 7.155 1.00 0.00 O ATOM 0 H GLU A 104 0.459 0.984 3.530 1.00 0.00 H new ATOM 0 HA GLU A 104 0.773 3.330 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.641 0.979 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.805 2.194 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.479 0.268 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.863 0.038 6.663 1.00 0.00 H new ATOM 1624 N TRP A 105 2.787 3.007 2.394 1.00 0.00 N ATOM 1625 CA TRP A 105 3.678 3.731 1.494 1.00 0.00 C ATOM 1626 C TRP A 105 3.120 5.105 1.165 1.00 0.00 C ATOM 1627 O TRP A 105 3.835 6.081 1.335 1.00 0.00 O ATOM 1628 CB TRP A 105 3.923 2.968 0.183 1.00 0.00 C ATOM 1629 CG TRP A 105 5.163 2.139 0.094 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.214 0.820 -0.188 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.553 2.582 0.175 1.00 0.00 C ATOM 1632 NE1 TRP A 105 6.529 0.415 -0.269 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.399 1.459 -0.060 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.186 3.824 0.408 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 8.798 1.552 -0.049 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.589 3.929 0.428 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.393 2.796 0.207 1.00 0.00 C ATOM 0 H TRP A 105 2.518 2.088 2.042 1.00 0.00 H new ATOM 0 HA TRP A 105 4.628 3.833 2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.068 2.315 0.008 1.00 0.00 H new ATOM 0 HB3 TRP A 105 3.943 3.693 -0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.356 0.180 -0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 105 6.821 -0.543 -0.461 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.584 4.705 0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 9.407 0.680 -0.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.052 4.887 0.614 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.469 2.884 0.234 1.00 0.00 H new ATOM 1648 N ARG A 106 1.864 5.213 0.713 1.00 0.00 N ATOM 1649 CA ARG A 106 1.268 6.511 0.377 1.00 0.00 C ATOM 1650 C ARG A 106 1.407 7.470 1.559 1.00 0.00 C ATOM 1651 O ARG A 106 1.744 8.636 1.375 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.204 6.308 -0.015 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.907 7.589 -0.499 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.434 7.475 -0.661 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.843 6.690 -1.841 1.00 0.00 N ATOM 1656 CZ ARG A 106 -2.967 5.357 -1.892 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.839 4.593 -0.811 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -3.210 4.753 -3.044 1.00 0.00 N ATOM 0 H ARG A 106 1.242 4.417 0.572 1.00 0.00 H new ATOM 0 HA ARG A 106 1.791 6.953 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.259 5.556 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.746 5.911 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.691 8.392 0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.476 7.881 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.853 7.016 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.859 8.476 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.050 7.209 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.640 5.019 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.940 3.581 -0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.304 5.303 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.304 3.738 -3.078 1.00 0.00 H new ATOM 1672 N GLN A 107 1.134 6.986 2.768 1.00 0.00 N ATOM 1673 CA GLN A 107 1.283 7.792 3.970 1.00 0.00 C ATOM 1674 C GLN A 107 2.755 8.161 4.203 1.00 0.00 C ATOM 1675 O GLN A 107 3.042 9.328 4.468 1.00 0.00 O ATOM 1676 CB GLN A 107 0.631 7.078 5.162 1.00 0.00 C ATOM 1677 CG GLN A 107 0.309 8.053 6.307 1.00 0.00 C ATOM 1678 CD GLN A 107 -0.806 7.509 7.194 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -1.939 7.328 6.742 1.00 0.00 O ATOM 1680 NE2 GLN A 107 -0.556 7.253 8.460 1.00 0.00 N ATOM 0 H GLN A 107 0.807 6.035 2.938 1.00 0.00 H new ATOM 0 HA GLN A 107 0.758 8.739 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.285 6.587 4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.298 6.297 5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.204 8.224 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.012 9.017 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.381 7.402 8.835 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.299 6.905 9.066 1.00 0.00 H new ATOM 1689 N ALA A 108 3.686 7.220 4.033 1.00 0.00 N ATOM 1690 CA ALA A 108 5.107 7.456 4.228 1.00 0.00 C ATOM 1691 C ALA A 108 5.658 8.443 3.206 1.00 0.00 C ATOM 1692 O ALA A 108 6.538 9.222 3.551 1.00 0.00 O ATOM 1693 CB ALA A 108 5.871 6.132 4.175 1.00 0.00 C ATOM 0 H ALA A 108 3.466 6.264 3.753 1.00 0.00 H new ATOM 0 HA ALA A 108 5.244 7.902 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.935 6.320 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.507 5.470 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.716 5.661 3.204 1.00 0.00 H new ATOM 1699 N ILE A 109 5.148 8.457 1.971 1.00 0.00 N ATOM 1700 CA ILE A 109 5.541 9.456 0.983 1.00 0.00 C ATOM 1701 C ILE A 109 5.141 10.844 1.477 1.00 0.00 C ATOM 1702 O ILE A 109 5.854 11.806 1.216 1.00 0.00 O ATOM 1703 CB ILE A 109 4.924 9.168 -0.408 1.00 0.00 C ATOM 1704 CG1 ILE A 109 5.390 7.848 -1.061 1.00 0.00 C ATOM 1705 CG2 ILE A 109 5.161 10.305 -1.421 1.00 0.00 C ATOM 1706 CD1 ILE A 109 6.899 7.584 -1.073 1.00 0.00 C ATOM 0 H ILE A 109 4.460 7.784 1.634 1.00 0.00 H new ATOM 0 HA ILE A 109 6.624 9.411 0.864 1.00 0.00 H new ATOM 0 HB ILE A 109 3.861 9.082 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.904 7.021 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.033 7.833 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.705 10.043 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.714 11.226 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.232 10.452 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.097 6.628 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.403 8.380 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.272 7.556 -0.049 1.00 0.00 H new ATOM 1718 N TYR A 110 4.012 10.993 2.170 1.00 0.00 N ATOM 1719 CA TYR A 110 3.615 12.318 2.623 1.00 0.00 C ATOM 1720 C TYR A 110 4.664 12.844 3.593 1.00 0.00 C ATOM 1721 O TYR A 110 5.106 13.986 3.485 1.00 0.00 O ATOM 1722 CB TYR A 110 2.231 12.269 3.262 1.00 0.00 C ATOM 1723 CG TYR A 110 1.646 13.640 3.494 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.295 14.446 2.396 1.00 0.00 C ATOM 1725 CD2 TYR A 110 1.442 14.105 4.804 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.734 15.718 2.601 1.00 0.00 C ATOM 1727 CE2 TYR A 110 0.850 15.360 5.015 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.519 16.186 3.919 1.00 0.00 C ATOM 1729 OH TYR A 110 0.003 17.421 4.141 1.00 0.00 O ATOM 0 H TYR A 110 3.376 10.236 2.422 1.00 0.00 H new ATOM 0 HA TYR A 110 3.553 12.999 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.560 11.696 2.622 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.293 11.740 4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.457 14.086 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.740 13.498 5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.468 16.336 1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.647 15.696 6.021 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.077 17.574 5.106 1.00 0.00 H new ATOM 1739 N GLU A 111 5.096 11.968 4.496 1.00 0.00 N ATOM 1740 CA GLU A 111 6.108 12.258 5.482 1.00 0.00 C ATOM 1741 C GLU A 111 7.458 12.514 4.804 1.00 0.00 C ATOM 1742 O GLU A 111 8.124 13.483 5.160 1.00 0.00 O ATOM 1743 CB GLU A 111 6.155 11.084 6.466 1.00 0.00 C ATOM 1744 CG GLU A 111 6.647 11.541 7.836 1.00 0.00 C ATOM 1745 CD GLU A 111 6.909 10.351 8.753 1.00 0.00 C ATOM 1746 OE1 GLU A 111 5.936 9.638 9.098 1.00 0.00 O ATOM 1747 OE2 GLU A 111 8.084 10.085 9.092 1.00 0.00 O ATOM 0 H GLU A 111 4.737 11.015 4.556 1.00 0.00 H new ATOM 0 HA GLU A 111 5.869 13.168 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.163 10.643 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.814 10.306 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.561 12.123 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.906 12.198 8.291 1.00 0.00 H new ATOM 1754 N GLU A 112 7.857 11.697 3.821 1.00 0.00 N ATOM 1755 CA GLU A 112 9.117 11.817 3.099 1.00 0.00 C ATOM 1756 C GLU A 112 9.174 13.119 2.303 1.00 0.00 C ATOM 1757 O GLU A 112 10.194 13.797 2.340 1.00 0.00 O ATOM 1758 CB GLU A 112 9.375 10.548 2.257 1.00 0.00 C ATOM 1759 CG GLU A 112 8.960 10.511 0.776 1.00 0.00 C ATOM 1760 CD GLU A 112 10.019 10.963 -0.228 1.00 0.00 C ATOM 1761 OE1 GLU A 112 10.123 12.175 -0.506 1.00 0.00 O ATOM 1762 OE2 GLU A 112 10.651 10.064 -0.835 1.00 0.00 O ATOM 0 H GLU A 112 7.290 10.912 3.501 1.00 0.00 H new ATOM 0 HA GLU A 112 9.940 11.881 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.445 10.343 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.871 9.720 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.664 9.492 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.078 11.139 0.651 1.00 0.00 H new ATOM 1769 N LYS A 113 8.067 13.508 1.661 1.00 0.00 N ATOM 1770 CA LYS A 113 7.943 14.722 0.863 1.00 0.00 C ATOM 1771 C LYS A 113 8.003 15.950 1.761 1.00 0.00 C ATOM 1772 O LYS A 113 8.642 16.948 1.421 1.00 0.00 O ATOM 1773 CB LYS A 113 6.636 14.655 0.053 1.00 0.00 C ATOM 1774 CG LYS A 113 6.360 15.931 -0.760 1.00 0.00 C ATOM 1775 CD LYS A 113 5.351 16.885 -0.095 1.00 0.00 C ATOM 1776 CE LYS A 113 3.899 16.386 -0.136 1.00 0.00 C ATOM 1777 NZ LYS A 113 3.420 16.203 -1.522 1.00 0.00 N ATOM 0 H LYS A 113 7.205 12.963 1.687 1.00 0.00 H new ATOM 0 HA LYS A 113 8.774 14.802 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 113 6.680 13.803 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.803 14.479 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 113 7.299 16.462 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.986 15.650 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.642 17.039 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.405 17.856 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.824 15.441 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.255 17.098 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 2.385 16.099 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.684 17.031 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.853 15.350 -1.929 1.00 0.00 H new ATOM 1791 N LEU A 114 7.328 15.892 2.907 1.00 0.00 N ATOM 1792 CA LEU A 114 7.344 16.955 3.901 1.00 0.00 C ATOM 1793 C LEU A 114 8.742 17.067 4.481 1.00 0.00 C ATOM 1794 O LEU A 114 9.238 18.182 4.655 1.00 0.00 O ATOM 1795 CB LEU A 114 6.313 16.670 5.004 1.00 0.00 C ATOM 1796 CG LEU A 114 4.884 17.086 4.619 1.00 0.00 C ATOM 1797 CD1 LEU A 114 3.915 16.568 5.679 1.00 0.00 C ATOM 1798 CD2 LEU A 114 4.727 18.610 4.509 1.00 0.00 C ATOM 0 H LEU A 114 6.749 15.095 3.171 1.00 0.00 H new ATOM 0 HA LEU A 114 7.075 17.902 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.324 15.605 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.606 17.198 5.912 1.00 0.00 H new ATOM 0 HG LEU A 114 4.668 16.657 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.898 16.858 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.980 15.481 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.174 16.994 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.700 18.851 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.964 19.070 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.405 18.991 3.746 1.00 0.00 H new ATOM 1810 N ALA A 115 9.390 15.933 4.747 1.00 0.00 N ATOM 1811 CA ALA A 115 10.772 15.910 5.176 1.00 0.00 C ATOM 1812 C ALA A 115 11.639 16.480 4.056 1.00 0.00 C ATOM 1813 O ALA A 115 12.539 17.243 4.366 1.00 0.00 O ATOM 1814 CB ALA A 115 11.201 14.497 5.580 1.00 0.00 C ATOM 0 H ALA A 115 8.964 15.009 4.669 1.00 0.00 H new ATOM 0 HA ALA A 115 10.896 16.529 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 115 12.244 14.510 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.576 14.148 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.090 13.826 4.729 1.00 0.00 H new ATOM 1820 N GLN A 116 11.334 16.222 2.776 1.00 0.00 N ATOM 1821 CA GLN A 116 12.130 16.676 1.632 1.00 0.00 C ATOM 1822 C GLN A 116 12.133 18.197 1.538 1.00 0.00 C ATOM 1823 O GLN A 116 13.064 18.768 0.978 1.00 0.00 O ATOM 1824 CB GLN A 116 11.687 16.041 0.295 1.00 0.00 C ATOM 1825 CG GLN A 116 12.573 14.876 -0.183 1.00 0.00 C ATOM 1826 CD GLN A 116 14.039 15.267 -0.410 1.00 0.00 C ATOM 1827 OE1 GLN A 116 14.372 16.437 -0.592 1.00 0.00 O ATOM 1828 NE2 GLN A 116 14.948 14.309 -0.432 1.00 0.00 N ATOM 0 H GLN A 116 10.512 15.682 2.505 1.00 0.00 H new ATOM 0 HA GLN A 116 13.149 16.335 1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.663 15.683 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.678 16.813 -0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.530 14.073 0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.165 14.478 -1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.671 13.339 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.927 14.539 -0.600 1.00 0.00 H new ATOM 1837 N ALA A 117 11.145 18.879 2.116 1.00 0.00 N ATOM 1838 CA ALA A 117 11.171 20.334 2.159 1.00 0.00 C ATOM 1839 C ALA A 117 12.358 20.812 3.009 1.00 0.00 C ATOM 1840 O ALA A 117 13.091 21.710 2.603 1.00 0.00 O ATOM 1841 CB ALA A 117 9.832 20.864 2.675 1.00 0.00 C ATOM 0 H ALA A 117 10.329 18.452 2.554 1.00 0.00 H new ATOM 0 HA ALA A 117 11.312 20.733 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 117 9.859 21.953 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.031 20.539 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.650 20.478 3.678 1.00 0.00 H new ATOM 1847 N ARG A 118 12.575 20.202 4.178 1.00 0.00 N ATOM 1848 CA ARG A 118 13.715 20.470 5.050 1.00 0.00 C ATOM 1849 C ARG A 118 14.980 19.839 4.487 1.00 0.00 C ATOM 1850 O ARG A 118 16.026 20.485 4.430 1.00 0.00 O ATOM 1851 CB ARG A 118 13.379 19.914 6.450 1.00 0.00 C ATOM 1852 CG ARG A 118 14.541 20.020 7.441 1.00 0.00 C ATOM 1853 CD ARG A 118 14.264 19.224 8.718 1.00 0.00 C ATOM 1854 NE ARG A 118 15.478 19.198 9.547 1.00 0.00 N ATOM 1855 CZ ARG A 118 16.238 18.137 9.838 1.00 0.00 C ATOM 1856 NH1 ARG A 118 15.852 16.902 9.540 1.00 0.00 N ATOM 1857 NH2 ARG A 118 17.426 18.330 10.400 1.00 0.00 N ATOM 0 H ARG A 118 11.945 19.491 4.550 1.00 0.00 H new ATOM 0 HA ARG A 118 13.902 21.542 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.520 20.452 6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 118 13.085 18.869 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 118 15.454 19.653 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.711 21.067 7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.441 19.677 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.959 18.208 8.468 1.00 0.00 H new ATOM 0 HE ARG A 118 15.774 20.089 9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.956 16.745 9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.451 16.110 9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 118 17.746 19.277 10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 118 18.018 17.531 10.628 1.00 0.00 H new ATOM 1871 N GLU A 119 14.900 18.567 4.109 1.00 0.00 N ATOM 1872 CA GLU A 119 16.008 17.783 3.609 1.00 0.00 C ATOM 1873 C GLU A 119 16.521 18.356 2.295 1.00 0.00 C ATOM 1874 O GLU A 119 17.660 18.071 1.962 1.00 0.00 O ATOM 1875 CB GLU A 119 15.659 16.295 3.501 1.00 0.00 C ATOM 1876 CG GLU A 119 15.580 15.581 4.866 1.00 0.00 C ATOM 1877 CD GLU A 119 16.764 14.651 5.175 1.00 0.00 C ATOM 1878 OE1 GLU A 119 17.273 13.956 4.267 1.00 0.00 O ATOM 1879 OE2 GLU A 119 17.109 14.490 6.370 1.00 0.00 O ATOM 0 H GLU A 119 14.027 18.041 4.147 1.00 0.00 H new ATOM 0 HA GLU A 119 16.819 17.848 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.702 16.191 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.407 15.798 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.513 16.334 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.659 14.999 4.903 1.00 0.00 H new ATOM 1886 N SER A 120 15.770 19.201 1.580 1.00 0.00 N ATOM 1887 CA SER A 120 16.297 19.872 0.399 1.00 0.00 C ATOM 1888 C SER A 120 17.544 20.663 0.803 1.00 0.00 C ATOM 1889 O SER A 120 18.544 20.595 0.091 1.00 0.00 O ATOM 1890 CB SER A 120 15.260 20.819 -0.213 1.00 0.00 C ATOM 1891 OG SER A 120 14.287 20.097 -0.946 1.00 0.00 O ATOM 0 H SER A 120 14.801 19.432 1.801 1.00 0.00 H new ATOM 0 HA SER A 120 16.546 19.122 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.775 21.393 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 120 15.757 21.535 -0.868 1.00 0.00 H new ATOM 0 HG SER A 120 13.920 19.382 -0.386 1.00 0.00 H new ATOM 1897 N ILE A 121 17.514 21.339 1.961 1.00 0.00 N ATOM 1898 CA ILE A 121 18.644 22.104 2.486 1.00 0.00 C ATOM 1899 C ILE A 121 19.775 21.139 2.887 1.00 0.00 C ATOM 1900 O ILE A 121 20.960 21.460 2.769 1.00 0.00 O ATOM 1901 CB ILE A 121 18.162 22.976 3.679 1.00 0.00 C ATOM 1902 CG1 ILE A 121 16.927 23.843 3.316 1.00 0.00 C ATOM 1903 CG2 ILE A 121 19.285 23.882 4.215 1.00 0.00 C ATOM 1904 CD1 ILE A 121 16.273 24.547 4.513 1.00 0.00 C ATOM 0 H ILE A 121 16.691 21.367 2.564 1.00 0.00 H new ATOM 0 HA ILE A 121 19.041 22.775 1.724 1.00 0.00 H new ATOM 0 HB ILE A 121 17.870 22.275 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 121 17.228 24.596 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 121 16.184 23.210 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 121 18.908 24.475 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.118 23.267 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 121 19.626 24.547 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.419 25.130 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.937 23.802 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 121 16.998 25.209 4.986 1.00 0.00 H new ATOM 1916 N ILE A 122 19.420 19.947 3.368 1.00 0.00 N ATOM 1917 CA ILE A 122 20.357 18.933 3.833 1.00 0.00 C ATOM 1918 C ILE A 122 21.107 18.380 2.620 1.00 0.00 C ATOM 1919 O ILE A 122 22.335 18.447 2.579 1.00 0.00 O ATOM 1920 CB ILE A 122 19.642 17.865 4.681 1.00 0.00 C ATOM 1921 CG1 ILE A 122 18.982 18.619 5.858 1.00 0.00 C ATOM 1922 CG2 ILE A 122 20.624 16.786 5.168 1.00 0.00 C ATOM 1923 CD1 ILE A 122 18.339 17.737 6.906 1.00 0.00 C ATOM 0 H ILE A 122 18.446 19.656 3.445 1.00 0.00 H new ATOM 0 HA ILE A 122 21.098 19.364 4.507 1.00 0.00 H new ATOM 0 HB ILE A 122 18.892 17.333 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 122 19.737 19.239 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 122 18.224 19.293 5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 122 20.087 16.048 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 122 21.082 16.296 4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 122 21.400 17.249 5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 122 17.905 18.359 7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 122 17.556 17.135 6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 122 19.092 17.080 7.341 1.00 0.00 H new ATOM 1935 N ALA A 123 20.376 17.860 1.634 1.00 0.00 N ATOM 1936 CA ALA A 123 20.887 17.279 0.406 1.00 0.00 C ATOM 1937 C ALA A 123 21.688 18.304 -0.394 1.00 0.00 C ATOM 1938 O ALA A 123 22.714 17.944 -0.970 1.00 0.00 O ATOM 1939 CB ALA A 123 19.717 16.746 -0.427 1.00 0.00 C ATOM 0 H ALA A 123 19.357 17.835 1.679 1.00 0.00 H new ATOM 0 HA ALA A 123 21.558 16.458 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 123 20.097 16.309 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 123 19.182 15.985 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 123 19.038 17.564 -0.666 1.00 0.00 H new ATOM 1945 N ASP A 124 21.252 19.569 -0.395 1.00 0.00 N ATOM 1946 CA ASP A 124 21.958 20.698 -1.007 1.00 0.00 C ATOM 1947 C ASP A 124 23.374 20.817 -0.445 1.00 0.00 C ATOM 1948 O ASP A 124 24.299 21.149 -1.185 1.00 0.00 O ATOM 1949 CB ASP A 124 21.206 22.016 -0.739 1.00 0.00 C ATOM 1950 CG ASP A 124 20.291 22.499 -1.868 1.00 0.00 C ATOM 1951 OD1 ASP A 124 20.202 21.863 -2.944 1.00 0.00 O ATOM 1952 OD2 ASP A 124 19.612 23.533 -1.669 1.00 0.00 O ATOM 0 H ASP A 124 20.372 19.842 0.043 1.00 0.00 H new ATOM 0 HA ASP A 124 22.006 20.516 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 124 20.606 21.894 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 124 21.939 22.796 -0.531 1.00 0.00 H new ATOM 1957 N ASN A 125 23.543 20.479 0.839 1.00 0.00 N ATOM 1958 CA ASN A 125 24.779 20.441 1.610 1.00 0.00 C ATOM 1959 C ASN A 125 25.533 21.769 1.551 1.00 0.00 C ATOM 1960 O ASN A 125 25.348 22.602 2.444 1.00 0.00 O ATOM 1961 CB ASN A 125 25.621 19.217 1.224 1.00 0.00 C ATOM 1962 CG ASN A 125 26.883 19.132 2.071 1.00 0.00 C ATOM 1963 OD1 ASN A 125 26.827 19.095 3.298 1.00 0.00 O ATOM 1964 ND2 ASN A 125 28.046 19.096 1.453 1.00 0.00 N ATOM 0 H ASN A 125 22.744 20.202 1.410 1.00 0.00 H new ATOM 0 HA ASN A 125 24.530 20.315 2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 125 25.031 18.310 1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 125 25.890 19.275 0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 125 28.909 19.037 1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 125 28.083 19.127 0.434 1.00 0.00 H new ATOM 1971 N ASN A 126 26.340 21.998 0.514 1.00 0.00 N ATOM 1972 CA ASN A 126 27.051 23.242 0.259 1.00 0.00 C ATOM 1973 C ASN A 126 26.817 23.661 -1.192 1.00 0.00 C ATOM 1974 O ASN A 126 27.521 23.202 -2.094 1.00 0.00 O ATOM 1975 CB ASN A 126 28.540 23.107 0.579 1.00 0.00 C ATOM 1976 CG ASN A 126 29.227 24.448 0.359 1.00 0.00 C ATOM 1977 OD1 ASN A 126 28.972 25.418 1.068 1.00 0.00 O ATOM 1978 ND2 ASN A 126 30.118 24.558 -0.606 1.00 0.00 N ATOM 0 H ASN A 126 26.520 21.290 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 126 26.664 24.021 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 126 28.674 22.782 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 126 28.992 22.345 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 126 30.593 25.447 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 126 30.332 23.754 -1.197 1.00 0.00 H new ATOM 1985 N ILE A 127 25.808 24.502 -1.419 1.00 0.00 N ATOM 1986 CA ILE A 127 25.489 25.050 -2.737 1.00 0.00 C ATOM 1987 C ILE A 127 26.526 26.089 -3.181 1.00 0.00 C ATOM 1988 O ILE A 127 26.704 26.282 -4.385 1.00 0.00 O ATOM 1989 CB ILE A 127 24.049 25.621 -2.758 1.00 0.00 C ATOM 1990 CG1 ILE A 127 23.869 26.873 -1.868 1.00 0.00 C ATOM 1991 CG2 ILE A 127 23.070 24.512 -2.345 1.00 0.00 C ATOM 1992 CD1 ILE A 127 22.423 27.371 -1.731 1.00 0.00 C ATOM 0 H ILE A 127 25.181 24.826 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 127 25.532 24.237 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 127 23.841 25.954 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 127 24.257 26.652 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 127 24.478 27.680 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 127 22.052 24.902 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 127 23.147 23.680 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 127 23.315 24.166 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 127 22.401 28.251 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 127 22.033 27.630 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 127 21.808 26.586 -1.292 1.00 0.00 H new ATOM 2004 N GLN A 128 27.244 26.695 -2.225 1.00 0.00 N ATOM 2005 CA GLN A 128 28.190 27.794 -2.419 1.00 0.00 C ATOM 2006 C GLN A 128 27.541 28.870 -3.288 1.00 0.00 C ATOM 2007 O GLN A 128 28.106 29.238 -4.336 1.00 0.00 O ATOM 2008 CB GLN A 128 29.516 27.240 -2.975 1.00 0.00 C ATOM 2009 CG GLN A 128 30.714 28.175 -2.761 1.00 0.00 C ATOM 2010 CD GLN A 128 31.956 27.610 -3.448 1.00 0.00 C ATOM 2011 OE1 GLN A 128 31.935 27.281 -4.631 1.00 0.00 O ATOM 2012 NE2 GLN A 128 33.050 27.416 -2.732 1.00 0.00 N ATOM 2013 OXT GLN A 128 26.415 29.284 -2.929 1.00 0.00 O ATOM 0 H GLN A 128 27.174 26.415 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 128 28.440 28.276 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 128 29.726 26.281 -2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 128 29.401 27.050 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 128 30.488 29.164 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 128 30.903 28.296 -1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 128 33.071 27.688 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 128 33.873 26.994 -3.162 1.00 0.00 H new TER 2022 GLN A 128