USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 997 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 77 LYS NZ :NH3+ -128:sc= 0.31 (180deg=-0.0401) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= 1.29 F(o=-8.5!,f=-0.81) USER MOD Set 1.3: A 86 TYR OH : rot 41:sc= -2.41! USER MOD Single : A 1 SER N :NH3+ 146:sc= 0.0422 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 2 GLN : amide:sc= 0.346 K(o=0.35,f=-7.5!) USER MOD Single : A 6 LYS NZ :NH3+ -132:sc= -0.121 (180deg=-0.612) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.8! C(o=-2.5!,f=-1.8!) USER MOD Single : A 11 HIS : no HD1:sc=-0.00116 X(o=-0.0012,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= -3.24 (180deg=-3.24) USER MOD Single : A 22 HIS : no HD1:sc= -0.0309 K(o=-0.031,f=-2) USER MOD Single : A 24 SER OG : rot 102:sc= 0.105 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= -2.02 (180deg=-2.05) USER MOD Single : A 36 GLN : amide:sc= -7.99! C(o=-8!,f=-8.3!) USER MOD Single : A 44 ASN :FLIP amide:sc= -2.69! C(o=-5.8!,f=-2.7!) USER MOD Single : A 45 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.2!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.241 F(o=-0.74,f=-0.24) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.95! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0451) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.0191 (180deg=-0.182) USER MOD Single : A 57 SER OG : rot -23:sc= 0.387 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.227 F(o=-1.8,f=-0.23) USER MOD Single : A 74 HIS : no HE2:sc= -5.95! C(o=-6!,f=-9.7!) USER MOD Single : A 75 TYR OH : rot -15:sc= -3.88! USER MOD Single : A 76 MET CE :methyl -171:sc= -0.177 (180deg=-0.333) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.198 F(o=-0.95,f=-0.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 0:sc= -2.11! USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 93 ASN :FLIP amide:sc= -1.03 F(o=-3!,f=-1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= 0.886 (180deg=0.113!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.702 F(o=-2.5,f=-0.7) USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.37! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 124 HIS : no HE2:sc= -8.65! C(o=-8.6!,f=-12!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.024 14.232 9.907 1.00 0.00 N ATOM 2 CA SER A 1 -1.018 13.567 9.017 1.00 0.00 C ATOM 3 C SER A 1 -0.983 12.051 9.223 1.00 0.00 C ATOM 4 O SER A 1 0.029 11.488 9.589 1.00 0.00 O ATOM 5 CB SER A 1 -0.579 13.925 7.598 1.00 0.00 C ATOM 6 OG SER A 1 -0.746 15.321 7.394 1.00 0.00 O ATOM 0 H1 SER A 1 0.368 15.067 9.427 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.490 14.527 10.789 1.00 0.00 H new ATOM 0 H3 SER A 1 0.744 13.567 10.128 1.00 0.00 H new ATOM 0 HA SER A 1 -2.038 13.891 9.223 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.464 13.646 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.168 13.366 6.871 1.00 0.00 H new ATOM 0 HG SER A 1 -0.464 15.555 6.485 1.00 0.00 H new ATOM 14 N GLN A 2 -2.078 11.385 8.987 1.00 0.00 N ATOM 15 CA GLN A 2 -2.104 9.908 9.165 1.00 0.00 C ATOM 16 C GLN A 2 -3.507 9.355 8.909 1.00 0.00 C ATOM 17 O GLN A 2 -4.457 10.104 8.800 1.00 0.00 O ATOM 18 CB GLN A 2 -1.709 9.682 10.589 1.00 0.00 C ATOM 19 CG GLN A 2 -0.541 8.780 10.609 1.00 0.00 C ATOM 20 CD GLN A 2 -0.996 7.315 10.614 1.00 0.00 C ATOM 21 OE1 GLN A 2 -1.634 6.867 9.682 1.00 0.00 O ATOM 22 NE2 GLN A 2 -0.698 6.540 11.629 1.00 0.00 N ATOM 0 H GLN A 2 -2.957 11.801 8.678 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.437 9.404 8.466 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.465 10.629 11.070 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.536 9.244 11.148 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.087 8.969 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.067 8.982 11.491 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.163 6.911 12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.002 5.566 11.633 1.00 0.00 H new ATOM 31 N VAL A 3 -3.662 8.059 8.813 1.00 0.00 N ATOM 32 CA VAL A 3 -4.996 7.492 8.568 1.00 0.00 C ATOM 33 C VAL A 3 -5.094 6.166 9.320 1.00 0.00 C ATOM 34 O VAL A 3 -4.130 5.719 9.910 1.00 0.00 O ATOM 35 CB VAL A 3 -5.036 7.237 7.055 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.298 8.347 6.296 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.428 5.864 6.707 1.00 0.00 C ATOM 0 H VAL A 3 -2.909 7.376 8.896 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.811 8.139 8.894 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.082 7.238 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.339 8.145 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.772 9.306 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.258 8.379 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.470 5.710 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.390 5.831 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.994 5.078 7.208 1.00 0.00 H new ATOM 47 N ASP A 4 -6.213 5.501 9.286 1.00 0.00 N ATOM 48 CA ASP A 4 -6.266 4.204 9.977 1.00 0.00 C ATOM 49 C ASP A 4 -5.631 3.185 9.113 1.00 0.00 C ATOM 50 O ASP A 4 -5.672 3.241 7.900 1.00 0.00 O ATOM 51 CB ASP A 4 -7.734 3.921 10.368 1.00 0.00 C ATOM 52 CG ASP A 4 -8.140 2.500 9.956 1.00 0.00 C ATOM 53 OD1 ASP A 4 -8.297 2.272 8.768 1.00 0.00 O ATOM 54 OD2 ASP A 4 -8.288 1.669 10.836 1.00 0.00 O ATOM 0 H ASP A 4 -7.070 5.797 8.819 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.702 4.192 10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.859 4.043 11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.390 4.646 9.887 1.00 0.00 H new ATOM 59 N VAL A 5 -4.862 2.361 9.744 1.00 0.00 N ATOM 60 CA VAL A 5 -4.028 1.479 8.964 1.00 0.00 C ATOM 61 C VAL A 5 -3.451 0.355 9.841 1.00 0.00 C ATOM 62 O VAL A 5 -3.548 0.403 11.052 1.00 0.00 O ATOM 63 CB VAL A 5 -3.028 2.536 8.560 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.715 2.384 9.336 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.773 2.459 7.054 1.00 0.00 C ATOM 0 H VAL A 5 -4.786 2.272 10.757 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.474 0.915 8.145 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.444 3.514 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.016 3.159 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.910 2.481 10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.284 1.403 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.051 3.224 6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.379 1.475 6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.708 2.624 6.518 1.00 0.00 H new ATOM 75 N LYS A 6 -2.861 -0.653 9.259 1.00 0.00 N ATOM 76 CA LYS A 6 -2.306 -1.759 10.100 1.00 0.00 C ATOM 77 C LYS A 6 -1.080 -2.370 9.498 1.00 0.00 C ATOM 78 O LYS A 6 -0.977 -2.648 8.331 1.00 0.00 O ATOM 79 CB LYS A 6 -3.394 -2.809 10.204 1.00 0.00 C ATOM 80 CG LYS A 6 -4.779 -2.153 10.245 1.00 0.00 C ATOM 81 CD LYS A 6 -5.804 -3.152 10.786 1.00 0.00 C ATOM 82 CE LYS A 6 -6.067 -4.237 9.739 1.00 0.00 C ATOM 83 NZ LYS A 6 -5.235 -5.398 10.165 1.00 0.00 N ATOM 0 H LYS A 6 -2.739 -0.761 8.252 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.013 -1.366 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.333 -3.488 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.243 -3.408 11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.753 -1.265 10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.067 -1.826 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.436 -3.603 11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.733 -2.638 11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.124 -4.502 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.789 -3.898 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.702 -5.761 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.571 -5.096 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.851 -6.149 10.537 1.00 0.00 H new ATOM 97 N ASP A 7 -0.162 -2.592 10.343 1.00 0.00 N ATOM 98 CA ASP A 7 1.116 -3.215 9.942 1.00 0.00 C ATOM 99 C ASP A 7 0.937 -4.732 9.825 1.00 0.00 C ATOM 100 O ASP A 7 0.177 -5.329 10.562 1.00 0.00 O ATOM 101 CB ASP A 7 2.002 -2.851 11.101 1.00 0.00 C ATOM 102 CG ASP A 7 3.273 -3.705 11.090 1.00 0.00 C ATOM 103 OD1 ASP A 7 3.159 -4.902 11.293 1.00 0.00 O ATOM 104 OD2 ASP A 7 4.336 -3.147 10.878 1.00 0.00 O ATOM 0 H ASP A 7 -0.231 -2.365 11.335 1.00 0.00 H new ATOM 0 HA ASP A 7 1.508 -2.889 8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.266 -1.795 11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.465 -2.999 12.038 1.00 0.00 H new ATOM 109 N CYS A 8 1.623 -5.364 8.915 1.00 0.00 N ATOM 110 CA CYS A 8 1.478 -6.837 8.769 1.00 0.00 C ATOM 111 C CYS A 8 2.849 -7.459 8.568 1.00 0.00 C ATOM 112 O CYS A 8 2.977 -8.572 8.095 1.00 0.00 O ATOM 113 CB CYS A 8 0.607 -7.044 7.534 1.00 0.00 C ATOM 114 SG CYS A 8 1.204 -6.050 6.124 1.00 0.00 S ATOM 0 H CYS A 8 2.277 -4.924 8.267 1.00 0.00 H new ATOM 0 HA CYS A 8 1.031 -7.301 9.648 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.604 -8.099 7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.423 -6.771 7.763 1.00 0.00 H new ATOM 119 N ALA A 9 3.889 -6.721 8.870 1.00 0.00 N ATOM 120 CA ALA A 9 5.256 -7.273 8.626 1.00 0.00 C ATOM 121 C ALA A 9 6.068 -7.215 9.895 1.00 0.00 C ATOM 122 O ALA A 9 6.106 -8.158 10.660 1.00 0.00 O ATOM 123 CB ALA A 9 5.848 -6.387 7.511 1.00 0.00 C ATOM 0 H ALA A 9 3.853 -5.782 9.266 1.00 0.00 H new ATOM 0 HA ALA A 9 5.248 -8.321 8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.855 -6.728 7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.222 -6.454 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.886 -5.352 7.850 1.00 0.00 H new ATOM 129 N ASN A 10 6.674 -6.135 10.155 1.00 0.00 N ATOM 130 CA ASN A 10 7.441 -6.047 11.428 1.00 0.00 C ATOM 131 C ASN A 10 7.697 -4.606 11.846 1.00 0.00 C ATOM 132 O ASN A 10 8.817 -4.142 11.907 1.00 0.00 O ATOM 133 CB ASN A 10 8.712 -6.862 11.247 1.00 0.00 C ATOM 134 CG ASN A 10 9.801 -6.432 12.245 1.00 0.00 C ATOM 135 OD1 ASN A 10 10.738 -5.564 11.905 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 9.808 -6.896 13.369 1.00 0.00 N flip ATOM 0 H ASN A 10 6.688 -5.303 9.565 1.00 0.00 H new ATOM 0 HA ASN A 10 6.864 -6.462 12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.490 -7.920 11.382 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.081 -6.742 10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.092 -7.567 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.529 -6.614 14.033 1.00 0.00 H new ATOM 143 N HIS A 11 6.638 -3.904 12.154 1.00 0.00 N ATOM 144 CA HIS A 11 6.758 -2.485 12.595 1.00 0.00 C ATOM 145 C HIS A 11 7.915 -1.796 11.889 1.00 0.00 C ATOM 146 O HIS A 11 8.557 -0.913 12.424 1.00 0.00 O ATOM 147 CB HIS A 11 6.996 -2.557 14.085 1.00 0.00 C ATOM 148 CG HIS A 11 5.848 -3.268 14.748 1.00 0.00 C ATOM 149 ND1 HIS A 11 6.015 -4.052 15.880 1.00 0.00 N ATOM 150 CD2 HIS A 11 4.509 -3.317 14.453 1.00 0.00 C ATOM 151 CE1 HIS A 11 4.807 -4.534 16.222 1.00 0.00 C ATOM 152 NE2 HIS A 11 3.852 -4.116 15.386 1.00 0.00 N ATOM 0 H HIS A 11 5.683 -4.260 12.118 1.00 0.00 H new ATOM 0 HA HIS A 11 5.867 -1.904 12.355 1.00 0.00 H new ATOM 0 HB2 HIS A 11 7.929 -3.083 14.289 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.100 -1.553 14.495 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.036 -2.813 13.623 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.630 -5.180 17.069 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.856 -4.335 15.423 1.00 0.00 H new ATOM 160 N GLU A 12 8.178 -2.198 10.686 1.00 0.00 N ATOM 161 CA GLU A 12 9.290 -1.577 9.924 1.00 0.00 C ATOM 162 C GLU A 12 8.794 -0.383 9.112 1.00 0.00 C ATOM 163 O GLU A 12 9.376 -0.007 8.115 1.00 0.00 O ATOM 164 CB GLU A 12 9.835 -2.644 9.047 1.00 0.00 C ATOM 165 CG GLU A 12 11.356 -2.573 9.064 1.00 0.00 C ATOM 166 CD GLU A 12 11.871 -2.289 7.652 1.00 0.00 C ATOM 167 OE1 GLU A 12 11.846 -1.135 7.256 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.282 -3.229 6.991 1.00 0.00 O ATOM 0 H GLU A 12 7.670 -2.933 10.193 1.00 0.00 H new ATOM 0 HA GLU A 12 10.062 -1.189 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.500 -3.622 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.464 -2.521 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.686 -1.790 9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.770 -3.512 9.431 1.00 0.00 H new ATOM 175 N ILE A 13 7.699 0.197 9.525 1.00 0.00 N ATOM 176 CA ILE A 13 7.122 1.347 8.783 1.00 0.00 C ATOM 177 C ILE A 13 7.070 2.590 9.668 1.00 0.00 C ATOM 178 O ILE A 13 7.635 2.639 10.742 1.00 0.00 O ATOM 179 CB ILE A 13 5.731 0.798 8.412 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.639 0.645 6.892 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.577 1.698 8.913 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.189 0.378 6.485 1.00 0.00 C ATOM 0 H ILE A 13 7.176 -0.083 10.355 1.00 0.00 H new ATOM 0 HA ILE A 13 7.691 1.675 7.913 1.00 0.00 H new ATOM 0 HB ILE A 13 5.620 -0.167 8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.003 1.549 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.276 -0.175 6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.622 1.261 8.622 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.624 1.778 9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.671 2.690 8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.129 0.270 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.840 -0.539 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.563 1.212 6.802 1.00 0.00 H new ATOM 194 N LYS A 14 6.385 3.584 9.208 1.00 0.00 N ATOM 195 CA LYS A 14 6.258 4.843 9.988 1.00 0.00 C ATOM 196 C LYS A 14 5.083 5.692 9.476 1.00 0.00 C ATOM 197 O LYS A 14 4.319 6.197 10.275 1.00 0.00 O ATOM 198 CB LYS A 14 7.600 5.579 9.891 1.00 0.00 C ATOM 199 CG LYS A 14 7.913 6.006 8.457 1.00 0.00 C ATOM 200 CD LYS A 14 8.870 7.200 8.495 1.00 0.00 C ATOM 201 CE LYS A 14 10.291 6.711 8.791 1.00 0.00 C ATOM 202 NZ LYS A 14 10.927 7.820 9.557 1.00 0.00 N ATOM 0 H LYS A 14 5.898 3.584 8.312 1.00 0.00 H new ATOM 0 HA LYS A 14 6.035 4.633 11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.580 6.458 10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.396 4.932 10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.363 5.179 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.995 6.275 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.847 7.727 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.552 7.909 9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.278 5.788 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.837 6.503 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.905 7.560 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.931 8.684 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.390 7.991 10.431 1.00 0.00 H new ATOM 216 N LYS A 15 4.882 5.870 8.173 1.00 0.00 N ATOM 217 CA LYS A 15 3.696 6.702 7.785 1.00 0.00 C ATOM 218 C LYS A 15 3.087 6.294 6.465 1.00 0.00 C ATOM 219 O LYS A 15 3.748 6.004 5.504 1.00 0.00 O ATOM 220 CB LYS A 15 4.168 8.154 7.758 1.00 0.00 C ATOM 221 CG LYS A 15 3.018 9.030 7.313 1.00 0.00 C ATOM 222 CD LYS A 15 3.299 10.449 7.787 1.00 0.00 C ATOM 223 CE LYS A 15 2.626 11.453 6.851 1.00 0.00 C ATOM 224 NZ LYS A 15 1.189 11.426 7.233 1.00 0.00 N ATOM 0 H LYS A 15 5.452 5.498 7.413 1.00 0.00 H new ATOM 0 HA LYS A 15 2.897 6.558 8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.514 8.457 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.012 8.264 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.916 9.003 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.079 8.667 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.929 10.582 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.374 10.627 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.048 12.451 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.763 11.173 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.658 12.090 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.813 10.465 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.090 11.703 8.230 1.00 0.00 H new ATOM 238 N VAL A 16 1.802 6.289 6.426 1.00 0.00 N ATOM 239 CA VAL A 16 1.102 5.919 5.152 1.00 0.00 C ATOM 240 C VAL A 16 0.003 6.915 4.851 1.00 0.00 C ATOM 241 O VAL A 16 -1.037 6.959 5.479 1.00 0.00 O ATOM 242 CB VAL A 16 0.531 4.500 5.306 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.971 3.659 4.106 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.035 3.843 6.595 1.00 0.00 C ATOM 0 H VAL A 16 1.191 6.522 7.209 1.00 0.00 H new ATOM 0 HA VAL A 16 1.803 5.939 4.318 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.556 4.561 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.572 2.649 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.595 4.111 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.060 3.617 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.616 2.840 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.123 3.781 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.725 4.440 7.453 1.00 0.00 H new ATOM 254 N LEU A 17 0.261 7.712 3.874 1.00 0.00 N ATOM 255 CA LEU A 17 -0.723 8.757 3.448 1.00 0.00 C ATOM 256 C LEU A 17 -1.398 8.405 2.137 1.00 0.00 C ATOM 257 O LEU A 17 -0.778 8.092 1.143 1.00 0.00 O ATOM 258 CB LEU A 17 0.052 10.044 3.338 1.00 0.00 C ATOM 259 CG LEU A 17 -0.419 11.018 4.399 1.00 0.00 C ATOM 260 CD1 LEU A 17 0.219 12.385 4.166 1.00 0.00 C ATOM 261 CD2 LEU A 17 -1.943 11.141 4.361 1.00 0.00 C ATOM 0 H LEU A 17 1.125 7.695 3.332 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.531 8.841 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.118 9.849 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.084 10.478 2.347 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.120 10.646 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.123 13.081 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.304 12.294 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.068 12.757 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.271 11.843 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.255 11.502 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.392 10.165 4.547 1.00 0.00 H new ATOM 273 N VAL A 18 -2.690 8.477 2.161 1.00 0.00 N ATOM 274 CA VAL A 18 -3.499 8.173 0.941 1.00 0.00 C ATOM 275 C VAL A 18 -4.680 9.156 0.867 1.00 0.00 C ATOM 276 O VAL A 18 -5.207 9.564 1.882 1.00 0.00 O ATOM 277 CB VAL A 18 -3.986 6.739 1.133 1.00 0.00 C ATOM 278 CG1 VAL A 18 -4.582 6.209 -0.176 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.815 5.842 1.546 1.00 0.00 C ATOM 0 H VAL A 18 -3.236 8.737 2.982 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.933 8.274 0.015 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.748 6.730 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.927 5.185 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.422 6.836 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.821 6.228 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.170 4.820 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.051 5.861 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.390 6.206 2.482 1.00 0.00 H new ATOM 289 N PRO A 19 -5.033 9.532 -0.338 1.00 0.00 N ATOM 290 CA PRO A 19 -6.134 10.514 -0.546 1.00 0.00 C ATOM 291 C PRO A 19 -7.505 9.897 -0.224 1.00 0.00 C ATOM 292 O PRO A 19 -7.968 9.014 -0.918 1.00 0.00 O ATOM 293 CB PRO A 19 -6.025 10.853 -2.036 1.00 0.00 C ATOM 294 CG PRO A 19 -5.366 9.683 -2.656 1.00 0.00 C ATOM 295 CD PRO A 19 -4.455 9.077 -1.607 1.00 0.00 C ATOM 0 HA PRO A 19 -6.049 11.386 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.008 11.027 -2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.442 11.761 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.106 8.956 -2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.795 9.983 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.438 7.989 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.427 9.419 -1.724 1.00 0.00 H new ATOM 303 N GLY A 20 -8.168 10.353 0.816 1.00 0.00 N ATOM 304 CA GLY A 20 -9.502 9.780 1.143 1.00 0.00 C ATOM 305 C GLY A 20 -9.541 9.367 2.615 1.00 0.00 C ATOM 306 O GLY A 20 -9.987 10.104 3.472 1.00 0.00 O ATOM 0 H GLY A 20 -7.842 11.089 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.283 10.513 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.703 8.917 0.508 1.00 0.00 H new ATOM 310 N CYS A 21 -9.077 8.187 2.905 1.00 0.00 N ATOM 311 CA CYS A 21 -9.082 7.694 4.330 1.00 0.00 C ATOM 312 C CYS A 21 -7.976 8.398 5.138 1.00 0.00 C ATOM 313 O CYS A 21 -6.809 8.126 4.938 1.00 0.00 O ATOM 314 CB CYS A 21 -8.813 6.190 4.272 1.00 0.00 C ATOM 315 SG CYS A 21 -9.664 5.451 2.839 1.00 0.00 S ATOM 0 H CYS A 21 -8.691 7.533 2.224 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.034 7.906 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.741 6.008 4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.156 5.716 5.192 1.00 0.00 H new ATOM 320 N HIS A 22 -8.299 9.296 6.054 1.00 0.00 N ATOM 321 CA HIS A 22 -7.197 9.951 6.820 1.00 0.00 C ATOM 322 C HIS A 22 -7.360 9.718 8.304 1.00 0.00 C ATOM 323 O HIS A 22 -6.741 10.372 9.121 1.00 0.00 O ATOM 324 CB HIS A 22 -7.236 11.454 6.474 1.00 0.00 C ATOM 325 CG HIS A 22 -8.666 11.909 6.362 1.00 0.00 C ATOM 326 ND1 HIS A 22 -9.613 11.610 7.328 1.00 0.00 N ATOM 327 CD2 HIS A 22 -9.322 12.642 5.405 1.00 0.00 C ATOM 328 CE1 HIS A 22 -10.778 12.155 6.933 1.00 0.00 C ATOM 329 NE2 HIS A 22 -10.658 12.796 5.768 1.00 0.00 N ATOM 0 H HIS A 22 -9.246 9.590 6.292 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.230 9.528 6.548 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.720 12.028 7.244 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.711 11.635 5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.871 13.039 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.700 12.083 7.491 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.387 13.291 5.255 1.00 0.00 H new ATOM 337 N GLY A 23 -8.143 8.760 8.667 1.00 0.00 N ATOM 338 CA GLY A 23 -8.275 8.464 10.122 1.00 0.00 C ATOM 339 C GLY A 23 -9.328 7.376 10.365 1.00 0.00 C ATOM 340 O GLY A 23 -9.618 6.585 9.490 1.00 0.00 O ATOM 0 H GLY A 23 -8.693 8.172 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.313 8.141 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.553 9.371 10.658 1.00 0.00 H new ATOM 344 N SER A 24 -9.908 7.322 11.546 1.00 0.00 N ATOM 345 CA SER A 24 -10.936 6.268 11.803 1.00 0.00 C ATOM 346 C SER A 24 -12.154 6.509 10.915 1.00 0.00 C ATOM 347 O SER A 24 -13.042 5.685 10.809 1.00 0.00 O ATOM 348 CB SER A 24 -11.315 6.444 13.256 1.00 0.00 C ATOM 349 OG SER A 24 -10.209 6.973 13.975 1.00 0.00 O ATOM 0 H SER A 24 -9.716 7.951 12.326 1.00 0.00 H new ATOM 0 HA SER A 24 -10.566 5.265 11.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.171 7.114 13.341 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.615 5.487 13.683 1.00 0.00 H new ATOM 0 HG SER A 24 -10.344 7.932 14.124 1.00 0.00 H new ATOM 355 N GLU A 25 -12.187 7.634 10.275 1.00 0.00 N ATOM 356 CA GLU A 25 -13.284 7.988 9.389 1.00 0.00 C ATOM 357 C GLU A 25 -13.426 7.104 8.192 1.00 0.00 C ATOM 358 O GLU A 25 -12.722 6.144 7.946 1.00 0.00 O ATOM 359 CB GLU A 25 -12.920 9.368 8.924 1.00 0.00 C ATOM 360 CG GLU A 25 -13.591 10.370 9.828 1.00 0.00 C ATOM 361 CD GLU A 25 -12.574 11.395 10.331 1.00 0.00 C ATOM 362 OE1 GLU A 25 -11.602 10.983 10.943 1.00 0.00 O ATOM 363 OE2 GLU A 25 -12.785 12.573 10.097 1.00 0.00 O ATOM 0 H GLU A 25 -11.459 8.345 10.343 1.00 0.00 H new ATOM 0 HA GLU A 25 -14.234 7.899 9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.839 9.502 8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.238 9.516 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.392 10.876 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.050 9.857 10.674 1.00 0.00 H new ATOM 370 N PRO A 26 -14.434 7.519 7.553 1.00 0.00 N ATOM 371 CA PRO A 26 -15.011 6.953 6.353 1.00 0.00 C ATOM 372 C PRO A 26 -14.629 7.811 5.170 1.00 0.00 C ATOM 373 O PRO A 26 -14.989 8.965 5.050 1.00 0.00 O ATOM 374 CB PRO A 26 -16.497 7.020 6.774 1.00 0.00 C ATOM 375 CG PRO A 26 -16.521 8.050 7.907 1.00 0.00 C ATOM 376 CD PRO A 26 -15.219 8.669 7.918 1.00 0.00 C ATOM 0 HA PRO A 26 -14.703 5.956 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.133 7.327 5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.860 6.049 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.303 8.791 7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.732 7.571 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.132 9.485 7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.950 9.072 8.894 1.00 0.00 H new ATOM 384 N CYS A 27 -13.851 7.228 4.323 1.00 0.00 N ATOM 385 CA CYS A 27 -13.349 7.980 3.120 1.00 0.00 C ATOM 386 C CYS A 27 -14.212 7.749 1.893 1.00 0.00 C ATOM 387 O CYS A 27 -14.196 6.715 1.257 1.00 0.00 O ATOM 388 CB CYS A 27 -11.883 7.568 2.873 1.00 0.00 C ATOM 389 SG CYS A 27 -11.644 5.784 3.136 1.00 0.00 S ATOM 0 H CYS A 27 -13.530 6.262 4.396 1.00 0.00 H new ATOM 0 HA CYS A 27 -13.405 9.051 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -11.596 7.829 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.228 8.127 3.542 1.00 0.00 H new ATOM 394 N ILE A 28 -14.946 8.769 1.569 1.00 0.00 N ATOM 395 CA ILE A 28 -15.835 8.773 0.400 1.00 0.00 C ATOM 396 C ILE A 28 -15.011 9.045 -0.859 1.00 0.00 C ATOM 397 O ILE A 28 -15.201 10.026 -1.551 1.00 0.00 O ATOM 398 CB ILE A 28 -16.739 9.929 0.718 1.00 0.00 C ATOM 399 CG1 ILE A 28 -17.499 9.628 1.935 1.00 0.00 C ATOM 400 CG2 ILE A 28 -17.674 10.204 -0.422 1.00 0.00 C ATOM 401 CD1 ILE A 28 -18.480 8.470 1.689 1.00 0.00 C ATOM 0 H ILE A 28 -14.960 9.640 2.100 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.370 7.841 0.218 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.132 10.820 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -16.815 9.366 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.047 10.514 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -18.319 11.045 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -17.098 10.445 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -18.286 9.322 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -19.034 8.262 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -19.177 8.745 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.925 7.580 1.391 1.00 0.00 H new ATOM 413 N ILE A 29 -14.088 8.178 -1.133 1.00 0.00 N ATOM 414 CA ILE A 29 -13.205 8.344 -2.325 1.00 0.00 C ATOM 415 C ILE A 29 -14.024 8.774 -3.532 1.00 0.00 C ATOM 416 O ILE A 29 -15.068 8.236 -3.846 1.00 0.00 O ATOM 417 CB ILE A 29 -12.522 6.989 -2.527 1.00 0.00 C ATOM 418 CG1 ILE A 29 -11.507 7.147 -3.658 1.00 0.00 C ATOM 419 CG2 ILE A 29 -13.575 5.903 -2.831 1.00 0.00 C ATOM 420 CD1 ILE A 29 -12.044 6.558 -4.953 1.00 0.00 C ATOM 0 H ILE A 29 -13.900 7.345 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.457 9.124 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.001 6.670 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.277 8.203 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.574 6.652 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.078 4.944 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.273 5.830 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.119 6.167 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.304 6.682 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.250 5.497 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.964 7.072 -5.233 1.00 0.00 H new ATOM 432 N HIS A 30 -13.552 9.805 -4.164 1.00 0.00 N ATOM 433 CA HIS A 30 -14.259 10.399 -5.326 1.00 0.00 C ATOM 434 C HIS A 30 -14.314 9.451 -6.519 1.00 0.00 C ATOM 435 O HIS A 30 -15.274 8.727 -6.693 1.00 0.00 O ATOM 436 CB HIS A 30 -13.451 11.626 -5.665 1.00 0.00 C ATOM 437 CG HIS A 30 -13.845 12.757 -4.756 1.00 0.00 C ATOM 438 ND1 HIS A 30 -12.995 13.250 -3.779 1.00 0.00 N ATOM 439 CD2 HIS A 30 -14.996 13.502 -4.663 1.00 0.00 C ATOM 440 CE1 HIS A 30 -13.640 14.247 -3.145 1.00 0.00 C ATOM 441 NE2 HIS A 30 -14.863 14.443 -3.645 1.00 0.00 N ATOM 0 H HIS A 30 -12.681 10.274 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.299 10.621 -5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.387 11.414 -5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.617 11.907 -6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.870 13.377 -5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.220 14.819 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.552 15.133 -3.346 1.00 0.00 H new ATOM 449 N ARG A 31 -13.308 9.457 -7.349 1.00 0.00 N ATOM 450 CA ARG A 31 -13.336 8.536 -8.543 1.00 0.00 C ATOM 451 C ARG A 31 -13.838 7.172 -8.087 1.00 0.00 C ATOM 452 O ARG A 31 -13.900 6.902 -6.906 1.00 0.00 O ATOM 453 CB ARG A 31 -11.926 8.427 -9.091 1.00 0.00 C ATOM 454 CG ARG A 31 -11.659 9.579 -10.051 1.00 0.00 C ATOM 455 CD ARG A 31 -10.160 9.613 -10.335 1.00 0.00 C ATOM 456 NE ARG A 31 -9.925 10.896 -11.053 1.00 0.00 N ATOM 457 CZ ARG A 31 -10.378 11.057 -12.267 1.00 0.00 C ATOM 458 NH1 ARG A 31 -9.723 10.559 -13.279 1.00 0.00 N ATOM 459 NH2 ARG A 31 -11.486 11.716 -12.469 1.00 0.00 N ATOM 0 H ARG A 31 -12.478 10.044 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.997 8.917 -9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.205 8.447 -8.274 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.798 7.475 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.220 9.443 -10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.987 10.523 -9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.584 9.568 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.855 8.761 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.410 11.649 -10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.857 10.044 -13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.077 10.685 -14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.999 12.106 -11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.839 11.841 -13.418 1.00 0.00 H new ATOM 473 N GLY A 32 -14.209 6.301 -8.973 1.00 0.00 N ATOM 474 CA GLY A 32 -14.702 5.002 -8.500 1.00 0.00 C ATOM 475 C GLY A 32 -13.580 4.288 -7.760 1.00 0.00 C ATOM 476 O GLY A 32 -13.485 4.415 -6.555 1.00 0.00 O ATOM 0 H GLY A 32 -14.191 6.434 -9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.559 5.141 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.042 4.399 -9.342 1.00 0.00 H new ATOM 480 N LYS A 33 -12.724 3.510 -8.410 1.00 0.00 N ATOM 481 CA LYS A 33 -11.710 2.850 -7.609 1.00 0.00 C ATOM 482 C LYS A 33 -10.268 3.067 -8.056 1.00 0.00 C ATOM 483 O LYS A 33 -9.709 2.316 -8.839 1.00 0.00 O ATOM 484 CB LYS A 33 -12.107 1.421 -7.607 1.00 0.00 C ATOM 485 CG LYS A 33 -13.543 1.364 -7.137 1.00 0.00 C ATOM 486 CD LYS A 33 -13.672 1.919 -5.723 1.00 0.00 C ATOM 487 CE LYS A 33 -14.116 0.808 -4.770 1.00 0.00 C ATOM 488 NZ LYS A 33 -12.879 0.031 -4.483 1.00 0.00 N ATOM 0 H LYS A 33 -12.707 3.330 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.685 3.284 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.010 0.992 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.461 0.842 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.176 1.936 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.898 0.334 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.718 2.332 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.395 2.735 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.545 1.219 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.881 0.179 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.096 -0.730 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.516 -0.382 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.160 0.662 -4.075 1.00 0.00 H new ATOM 502 N PRO A 34 -9.718 4.098 -7.509 1.00 0.00 N ATOM 503 CA PRO A 34 -8.314 4.508 -7.712 1.00 0.00 C ATOM 504 C PRO A 34 -7.542 4.253 -6.432 1.00 0.00 C ATOM 505 O PRO A 34 -8.039 4.482 -5.347 1.00 0.00 O ATOM 506 CB PRO A 34 -8.483 6.002 -7.925 1.00 0.00 C ATOM 507 CG PRO A 34 -9.757 6.355 -7.164 1.00 0.00 C ATOM 508 CD PRO A 34 -10.383 5.056 -6.676 1.00 0.00 C ATOM 0 HA PRO A 34 -7.786 3.994 -8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.626 6.557 -7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.573 6.244 -8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.530 7.009 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.450 6.894 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.195 4.881 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.464 5.042 -6.815 1.00 0.00 H new ATOM 516 N PHE A 35 -6.330 3.801 -6.533 1.00 0.00 N ATOM 517 CA PHE A 35 -5.563 3.563 -5.277 1.00 0.00 C ATOM 518 C PHE A 35 -4.248 4.341 -5.303 1.00 0.00 C ATOM 519 O PHE A 35 -3.277 3.919 -5.903 1.00 0.00 O ATOM 520 CB PHE A 35 -5.310 2.058 -5.172 1.00 0.00 C ATOM 521 CG PHE A 35 -6.486 1.279 -5.755 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.807 1.656 -5.444 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.264 0.182 -6.605 1.00 0.00 C ATOM 524 CE1 PHE A 35 -8.887 0.944 -5.974 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.350 -0.529 -7.133 1.00 0.00 C ATOM 526 CZ PHE A 35 -8.660 -0.149 -6.817 1.00 0.00 C ATOM 0 H PHE A 35 -5.843 3.589 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.124 3.909 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.394 1.799 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.162 1.779 -4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.986 2.499 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.255 -0.113 -6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.898 1.238 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.176 -1.372 -7.785 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.495 -0.700 -7.224 1.00 0.00 H new ATOM 536 N GLN A 36 -4.222 5.480 -4.675 1.00 0.00 N ATOM 537 CA GLN A 36 -2.966 6.307 -4.640 1.00 0.00 C ATOM 538 C GLN A 36 -2.448 6.374 -3.188 1.00 0.00 C ATOM 539 O GLN A 36 -2.687 7.336 -2.488 1.00 0.00 O ATOM 540 CB GLN A 36 -3.364 7.695 -5.132 1.00 0.00 C ATOM 541 CG GLN A 36 -3.638 7.629 -6.577 1.00 0.00 C ATOM 542 CD GLN A 36 -4.956 6.868 -6.852 1.00 0.00 C ATOM 543 OE1 GLN A 36 -5.957 7.151 -6.223 1.00 0.00 O ATOM 544 NE2 GLN A 36 -5.020 5.912 -7.767 1.00 0.00 N ATOM 0 H GLN A 36 -5.016 5.884 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.174 5.887 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.246 8.046 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.565 8.409 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.703 8.637 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.812 7.131 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.189 5.663 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.900 5.425 -7.935 1.00 0.00 H new ATOM 553 N LEU A 37 -1.747 5.362 -2.722 1.00 0.00 N ATOM 554 CA LEU A 37 -1.240 5.383 -1.322 1.00 0.00 C ATOM 555 C LEU A 37 0.300 5.467 -1.315 1.00 0.00 C ATOM 556 O LEU A 37 0.964 4.881 -2.146 1.00 0.00 O ATOM 557 CB LEU A 37 -1.756 4.052 -0.705 1.00 0.00 C ATOM 558 CG LEU A 37 -1.143 2.837 -1.402 1.00 0.00 C ATOM 559 CD1 LEU A 37 0.084 2.346 -0.626 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.175 1.702 -1.455 1.00 0.00 C ATOM 0 H LEU A 37 -1.508 4.526 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.585 6.246 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.514 4.024 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.842 4.009 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.847 3.125 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.512 1.481 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.827 3.142 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.213 2.065 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.738 0.836 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.468 1.429 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.053 2.034 -2.010 1.00 0.00 H new ATOM 572 N GLU A 38 0.871 6.204 -0.386 1.00 0.00 N ATOM 573 CA GLU A 38 2.359 6.344 -0.325 1.00 0.00 C ATOM 574 C GLU A 38 2.778 6.321 1.110 1.00 0.00 C ATOM 575 O GLU A 38 2.136 6.851 1.983 1.00 0.00 O ATOM 576 CB GLU A 38 2.676 7.695 -0.997 1.00 0.00 C ATOM 577 CG GLU A 38 1.609 8.731 -0.621 1.00 0.00 C ATOM 578 CD GLU A 38 1.902 10.047 -1.346 1.00 0.00 C ATOM 579 OE1 GLU A 38 2.981 10.167 -1.902 1.00 0.00 O ATOM 580 OE2 GLU A 38 1.041 10.911 -1.333 1.00 0.00 O ATOM 0 H GLU A 38 0.363 6.716 0.335 1.00 0.00 H new ATOM 0 HA GLU A 38 2.893 5.540 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.660 8.044 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.711 7.573 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.619 8.365 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.604 8.890 0.457 1.00 0.00 H new ATOM 587 N ALA A 39 3.826 5.629 1.345 1.00 0.00 N ATOM 588 CA ALA A 39 4.290 5.458 2.760 1.00 0.00 C ATOM 589 C ALA A 39 5.809 5.482 2.904 1.00 0.00 C ATOM 590 O ALA A 39 6.562 5.129 2.022 1.00 0.00 O ATOM 591 CB ALA A 39 3.762 4.072 3.147 1.00 0.00 C ATOM 0 H ALA A 39 4.396 5.166 0.637 1.00 0.00 H new ATOM 0 HA ALA A 39 3.931 6.273 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.049 3.847 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.675 4.060 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.185 3.322 2.479 1.00 0.00 H new ATOM 597 N VAL A 40 6.217 5.885 4.071 1.00 0.00 N ATOM 598 CA VAL A 40 7.653 5.956 4.445 1.00 0.00 C ATOM 599 C VAL A 40 7.951 4.874 5.490 1.00 0.00 C ATOM 600 O VAL A 40 7.142 4.587 6.369 1.00 0.00 O ATOM 601 CB VAL A 40 7.932 7.346 4.993 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.518 8.226 3.888 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.648 7.969 5.499 1.00 0.00 C ATOM 0 H VAL A 40 5.584 6.181 4.814 1.00 0.00 H new ATOM 0 HA VAL A 40 8.296 5.780 3.582 1.00 0.00 H new ATOM 0 HB VAL A 40 8.644 7.267 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.717 9.222 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.448 7.786 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.807 8.298 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.856 8.965 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.932 8.043 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.230 7.348 6.291 1.00 0.00 H new ATOM 613 N PHE A 41 9.116 4.270 5.353 1.00 0.00 N ATOM 614 CA PHE A 41 9.578 3.176 6.233 1.00 0.00 C ATOM 615 C PHE A 41 11.114 3.162 6.179 1.00 0.00 C ATOM 616 O PHE A 41 11.701 3.038 5.116 1.00 0.00 O ATOM 617 CB PHE A 41 9.052 1.872 5.601 1.00 0.00 C ATOM 618 CG PHE A 41 9.112 1.967 4.086 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.310 1.691 3.408 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.967 2.318 3.358 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.364 1.770 2.009 1.00 0.00 C ATOM 622 CE2 PHE A 41 8.021 2.393 1.962 1.00 0.00 C ATOM 623 CZ PHE A 41 9.218 2.121 1.287 1.00 0.00 C ATOM 0 H PHE A 41 9.786 4.516 4.625 1.00 0.00 H new ATOM 0 HA PHE A 41 9.236 3.290 7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.647 1.026 5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.026 1.691 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.193 1.417 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.043 2.531 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.288 1.560 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.137 2.662 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.256 2.182 0.209 1.00 0.00 H new ATOM 633 N GLU A 42 11.775 3.306 7.274 1.00 0.00 N ATOM 634 CA GLU A 42 13.272 3.266 7.246 1.00 0.00 C ATOM 635 C GLU A 42 13.725 1.865 6.904 1.00 0.00 C ATOM 636 O GLU A 42 13.045 0.881 7.113 1.00 0.00 O ATOM 637 CB GLU A 42 13.766 3.608 8.633 1.00 0.00 C ATOM 638 CG GLU A 42 15.159 4.218 8.491 1.00 0.00 C ATOM 639 CD GLU A 42 15.497 5.030 9.743 1.00 0.00 C ATOM 640 OE1 GLU A 42 14.972 6.123 9.876 1.00 0.00 O ATOM 641 OE2 GLU A 42 16.274 4.544 10.548 1.00 0.00 O ATOM 0 H GLU A 42 11.359 3.450 8.194 1.00 0.00 H new ATOM 0 HA GLU A 42 13.660 3.967 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.088 4.310 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.801 2.715 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.898 3.430 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.198 4.858 7.609 1.00 0.00 H new ATOM 648 N ALA A 43 14.887 1.805 6.398 1.00 0.00 N ATOM 649 CA ALA A 43 15.514 0.498 6.019 1.00 0.00 C ATOM 650 C ALA A 43 16.326 -0.008 7.185 1.00 0.00 C ATOM 651 O ALA A 43 17.053 0.738 7.812 1.00 0.00 O ATOM 652 CB ALA A 43 16.425 0.826 4.830 1.00 0.00 C ATOM 0 H ALA A 43 15.471 2.621 6.214 1.00 0.00 H new ATOM 0 HA ALA A 43 14.784 -0.270 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.923 -0.083 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.827 1.237 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.173 1.557 5.136 1.00 0.00 H new ATOM 658 N ASN A 44 16.229 -1.270 7.486 1.00 0.00 N ATOM 659 CA ASN A 44 17.023 -1.770 8.607 1.00 0.00 C ATOM 660 C ASN A 44 18.036 -2.786 8.218 1.00 0.00 C ATOM 661 O ASN A 44 18.247 -3.829 8.804 1.00 0.00 O ATOM 662 CB ASN A 44 16.124 -2.172 9.778 1.00 0.00 C ATOM 663 CG ASN A 44 15.155 -3.324 9.390 1.00 0.00 C ATOM 664 OD1 ASN A 44 14.273 -3.212 8.403 1.00 0.00 O flip ATOM 665 ND2 ASN A 44 15.201 -4.369 10.008 1.00 0.00 N flip ATOM 0 H ASN A 44 15.644 -1.955 7.008 1.00 0.00 H new ATOM 0 HA ASN A 44 17.637 -0.944 8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.741 -2.484 10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.548 -1.308 10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.869 -4.482 10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.572 -5.134 9.764 1.00 0.00 H new ATOM 672 N GLN A 45 18.698 -2.351 7.241 1.00 0.00 N ATOM 673 CA GLN A 45 19.829 -3.028 6.643 1.00 0.00 C ATOM 674 C GLN A 45 20.224 -2.447 5.304 1.00 0.00 C ATOM 675 O GLN A 45 19.974 -1.293 4.986 1.00 0.00 O ATOM 676 CB GLN A 45 19.372 -4.417 6.410 1.00 0.00 C ATOM 677 CG GLN A 45 17.988 -4.351 5.796 1.00 0.00 C ATOM 678 CD GLN A 45 17.226 -5.659 6.074 1.00 0.00 C ATOM 679 OE1 GLN A 45 17.336 -6.211 7.150 1.00 0.00 O ATOM 680 NE2 GLN A 45 16.454 -6.188 5.156 1.00 0.00 N ATOM 0 H GLN A 45 18.480 -1.465 6.786 1.00 0.00 H new ATOM 0 HA GLN A 45 20.694 -2.938 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 45 20.060 -4.940 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.348 -4.974 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.438 -3.505 6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 45 18.065 -4.187 4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.355 -5.732 4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.953 -7.055 5.349 1.00 0.00 H new ATOM 689 N ASN A 46 20.897 -3.230 4.541 1.00 0.00 N ATOM 690 CA ASN A 46 21.374 -2.804 3.221 1.00 0.00 C ATOM 691 C ASN A 46 20.605 -3.532 2.169 1.00 0.00 C ATOM 692 O ASN A 46 20.055 -4.596 2.378 1.00 0.00 O ATOM 693 CB ASN A 46 22.771 -3.272 3.229 1.00 0.00 C ATOM 694 CG ASN A 46 23.455 -2.946 1.901 1.00 0.00 C ATOM 695 OD1 ASN A 46 24.013 -1.778 1.739 1.00 0.00 O flip ATOM 696 ND2 ASN A 46 23.482 -3.762 1.001 1.00 0.00 N flip ATOM 0 H ASN A 46 21.146 -4.188 4.788 1.00 0.00 H new ATOM 0 HA ASN A 46 21.269 -1.737 3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.313 -2.801 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.799 -4.347 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.046 -4.675 1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 46 23.941 -3.534 0.119 1.00 0.00 H new ATOM 703 N THR A 47 20.541 -2.943 1.063 1.00 0.00 N ATOM 704 CA THR A 47 19.757 -3.571 -0.054 1.00 0.00 C ATOM 705 C THR A 47 19.925 -2.820 -1.368 1.00 0.00 C ATOM 706 O THR A 47 20.133 -1.632 -1.368 1.00 0.00 O ATOM 707 CB THR A 47 18.300 -3.468 0.445 1.00 0.00 C ATOM 708 OG1 THR A 47 17.411 -3.384 -0.659 1.00 0.00 O ATOM 709 CG2 THR A 47 18.096 -2.226 1.329 1.00 0.00 C ATOM 0 H THR A 47 20.984 -2.051 0.844 1.00 0.00 H new ATOM 0 HA THR A 47 20.082 -4.590 -0.266 1.00 0.00 H new ATOM 0 HB THR A 47 18.093 -4.362 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.489 -3.321 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.059 -2.184 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.755 -2.284 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.329 -1.329 0.755 1.00 0.00 H new ATOM 717 N LYS A 48 19.823 -3.476 -2.497 1.00 0.00 N ATOM 718 CA LYS A 48 19.957 -2.703 -3.783 1.00 0.00 C ATOM 719 C LYS A 48 18.610 -2.675 -4.529 1.00 0.00 C ATOM 720 O LYS A 48 18.549 -2.253 -5.666 1.00 0.00 O ATOM 721 CB LYS A 48 21.050 -3.383 -4.611 1.00 0.00 C ATOM 722 CG LYS A 48 20.436 -4.513 -5.369 1.00 0.00 C ATOM 723 CD LYS A 48 21.381 -5.715 -5.399 1.00 0.00 C ATOM 724 CE LYS A 48 21.289 -6.470 -4.070 1.00 0.00 C ATOM 725 NZ LYS A 48 22.215 -7.626 -4.217 1.00 0.00 N ATOM 0 H LYS A 48 19.659 -4.478 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 48 20.233 -1.666 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.504 -2.669 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.844 -3.750 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.491 -4.798 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.210 -4.195 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.119 -6.377 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.405 -5.382 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.581 -5.834 -3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.270 -6.803 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.206 -8.191 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.908 -8.217 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.179 -7.278 -4.394 1.00 0.00 H new ATOM 739 N THR A 49 17.520 -3.088 -3.902 1.00 0.00 N ATOM 740 CA THR A 49 16.212 -3.040 -4.590 1.00 0.00 C ATOM 741 C THR A 49 15.079 -3.288 -3.621 1.00 0.00 C ATOM 742 O THR A 49 15.177 -4.065 -2.693 1.00 0.00 O ATOM 743 CB THR A 49 16.220 -4.092 -5.654 1.00 0.00 C ATOM 744 OG1 THR A 49 17.071 -5.170 -5.287 1.00 0.00 O ATOM 745 CG2 THR A 49 16.700 -3.430 -6.932 1.00 0.00 C ATOM 0 H THR A 49 17.498 -3.451 -2.949 1.00 0.00 H new ATOM 0 HA THR A 49 16.058 -2.052 -5.024 1.00 0.00 H new ATOM 0 HB THR A 49 15.223 -4.510 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.062 -5.849 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.721 -4.165 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.022 -2.619 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.702 -3.030 -6.780 1.00 0.00 H new ATOM 753 N ALA A 50 13.996 -2.641 -3.859 1.00 0.00 N ATOM 754 CA ALA A 50 12.803 -2.830 -2.985 1.00 0.00 C ATOM 755 C ALA A 50 11.557 -2.865 -3.833 1.00 0.00 C ATOM 756 O ALA A 50 10.957 -1.864 -4.168 1.00 0.00 O ATOM 757 CB ALA A 50 12.776 -1.655 -2.002 1.00 0.00 C ATOM 0 H ALA A 50 13.871 -1.980 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 50 12.850 -3.771 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.915 -1.754 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.691 -1.655 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.703 -0.719 -2.556 1.00 0.00 H new ATOM 763 N LYS A 51 11.176 -4.048 -4.145 1.00 0.00 N ATOM 764 CA LYS A 51 9.943 -4.271 -4.965 1.00 0.00 C ATOM 765 C LYS A 51 8.716 -3.827 -4.179 1.00 0.00 C ATOM 766 O LYS A 51 8.801 -3.390 -3.040 1.00 0.00 O ATOM 767 CB LYS A 51 9.867 -5.777 -5.259 1.00 0.00 C ATOM 768 CG LYS A 51 11.236 -6.297 -5.708 1.00 0.00 C ATOM 769 CD LYS A 51 11.123 -7.775 -6.085 1.00 0.00 C ATOM 770 CE LYS A 51 10.648 -7.901 -7.533 1.00 0.00 C ATOM 771 NZ LYS A 51 9.276 -8.471 -7.437 1.00 0.00 N ATOM 0 H LYS A 51 11.665 -4.900 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 51 9.977 -3.698 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.540 -6.313 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.125 -5.967 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.594 -5.720 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.965 -6.170 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.089 -8.266 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.424 -8.278 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.639 -6.932 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.306 -8.551 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.769 -8.309 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.337 -9.493 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.762 -8.010 -6.659 1.00 0.00 H new ATOM 785 N ILE A 52 7.576 -3.998 -4.761 1.00 0.00 N ATOM 786 CA ILE A 52 6.299 -3.616 -4.073 1.00 0.00 C ATOM 787 C ILE A 52 5.204 -4.631 -4.385 1.00 0.00 C ATOM 788 O ILE A 52 5.117 -5.135 -5.487 1.00 0.00 O ATOM 789 CB ILE A 52 5.849 -2.245 -4.622 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.943 -1.242 -4.442 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.637 -1.760 -3.825 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.415 0.132 -4.900 1.00 0.00 C ATOM 0 H ILE A 52 7.459 -4.390 -5.695 1.00 0.00 H new ATOM 0 HA ILE A 52 6.466 -3.582 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 52 5.604 -2.351 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.254 -1.201 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.819 -1.526 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.314 -0.792 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.824 -2.479 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.908 -1.663 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.197 0.881 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.124 0.079 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.550 0.409 -4.297 1.00 0.00 H new ATOM 804 N GLU A 53 4.346 -4.918 -3.446 1.00 0.00 N ATOM 805 CA GLU A 53 3.259 -5.866 -3.730 1.00 0.00 C ATOM 806 C GLU A 53 1.996 -5.396 -3.081 1.00 0.00 C ATOM 807 O GLU A 53 1.775 -5.501 -1.884 1.00 0.00 O ATOM 808 CB GLU A 53 3.711 -7.199 -3.202 1.00 0.00 C ATOM 809 CG GLU A 53 3.160 -8.316 -4.091 1.00 0.00 C ATOM 810 CD GLU A 53 4.306 -8.954 -4.881 1.00 0.00 C ATOM 811 OE1 GLU A 53 5.410 -8.442 -4.804 1.00 0.00 O ATOM 812 OE2 GLU A 53 4.059 -9.944 -5.549 1.00 0.00 O ATOM 0 H GLU A 53 4.359 -4.534 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 53 3.046 -5.945 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.800 -7.242 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.365 -7.332 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.662 -9.069 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.412 -7.915 -4.775 1.00 0.00 H new ATOM 819 N ILE A 54 1.178 -4.881 -3.918 1.00 0.00 N ATOM 820 CA ILE A 54 -0.157 -4.357 -3.504 1.00 0.00 C ATOM 821 C ILE A 54 -1.149 -5.471 -3.682 1.00 0.00 C ATOM 822 O ILE A 54 -1.284 -6.047 -4.743 1.00 0.00 O ATOM 823 CB ILE A 54 -0.455 -3.219 -4.458 1.00 0.00 C ATOM 824 CG1 ILE A 54 -1.575 -2.396 -3.880 1.00 0.00 C ATOM 825 CG2 ILE A 54 -0.849 -3.750 -5.843 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.791 -3.270 -3.711 1.00 0.00 C ATOM 0 H ILE A 54 1.371 -4.790 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.195 -4.013 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 54 0.439 -2.607 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.277 -1.977 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.803 -1.557 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.058 -2.912 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.031 -4.343 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.739 -4.373 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.607 -2.681 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.091 -3.668 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.556 -4.094 -3.037 1.00 0.00 H new ATOM 838 N LYS A 55 -1.855 -5.761 -2.665 1.00 0.00 N ATOM 839 CA LYS A 55 -2.876 -6.843 -2.793 1.00 0.00 C ATOM 840 C LYS A 55 -4.192 -6.315 -2.261 1.00 0.00 C ATOM 841 O LYS A 55 -4.212 -5.451 -1.430 1.00 0.00 O ATOM 842 CB LYS A 55 -2.375 -8.058 -1.986 1.00 0.00 C ATOM 843 CG LYS A 55 -1.129 -8.649 -2.656 1.00 0.00 C ATOM 844 CD LYS A 55 0.125 -8.022 -2.042 1.00 0.00 C ATOM 845 CE LYS A 55 0.261 -8.471 -0.584 1.00 0.00 C ATOM 846 NZ LYS A 55 1.709 -8.773 -0.405 1.00 0.00 N ATOM 0 H LYS A 55 -1.789 -5.315 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.027 -7.151 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.142 -7.757 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.159 -8.813 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.110 -9.731 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.155 -8.460 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.007 -8.319 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.064 -6.935 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.066 -7.689 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.353 -9.349 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.857 -9.230 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.027 -9.411 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.256 -7.889 -0.445 1.00 0.00 H new ATOM 860 N ALA A 56 -5.296 -6.766 -2.761 1.00 0.00 N ATOM 861 CA ALA A 56 -6.563 -6.200 -2.251 1.00 0.00 C ATOM 862 C ALA A 56 -7.589 -7.286 -1.984 1.00 0.00 C ATOM 863 O ALA A 56 -7.909 -8.073 -2.848 1.00 0.00 O ATOM 864 CB ALA A 56 -7.011 -5.242 -3.347 1.00 0.00 C ATOM 0 H ALA A 56 -5.379 -7.483 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.441 -5.694 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.950 -4.771 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.250 -4.475 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.154 -5.794 -4.276 1.00 0.00 H new ATOM 870 N SER A 57 -8.141 -7.305 -0.808 1.00 0.00 N ATOM 871 CA SER A 57 -9.196 -8.323 -0.514 1.00 0.00 C ATOM 872 C SER A 57 -10.532 -7.600 -0.622 1.00 0.00 C ATOM 873 O SER A 57 -10.900 -6.871 0.258 1.00 0.00 O ATOM 874 CB SER A 57 -8.918 -8.818 0.920 1.00 0.00 C ATOM 875 OG SER A 57 -9.658 -8.028 1.841 1.00 0.00 O ATOM 0 H SER A 57 -7.915 -6.671 -0.042 1.00 0.00 H new ATOM 0 HA SER A 57 -9.205 -9.177 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.198 -9.867 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.853 -8.751 1.140 1.00 0.00 H new ATOM 0 HG SER A 57 -9.870 -7.163 1.433 1.00 0.00 H new ATOM 881 N ILE A 58 -11.224 -7.745 -1.720 1.00 0.00 N ATOM 882 CA ILE A 58 -12.520 -6.984 -1.901 1.00 0.00 C ATOM 883 C ILE A 58 -13.719 -7.948 -1.983 1.00 0.00 C ATOM 884 O ILE A 58 -13.995 -8.578 -2.982 1.00 0.00 O ATOM 885 CB ILE A 58 -12.323 -6.149 -3.209 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.692 -6.965 -4.455 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.869 -5.696 -3.329 1.00 0.00 C ATOM 888 CD1 ILE A 58 -14.175 -6.784 -4.769 1.00 0.00 C ATOM 0 H ILE A 58 -10.961 -8.348 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.744 -6.332 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.982 -5.283 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.089 -6.643 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.472 -8.020 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.743 -5.116 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.608 -5.080 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.217 -6.569 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.433 -7.365 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -14.771 -7.128 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.382 -5.730 -4.954 1.00 0.00 H new ATOM 900 N ASP A 59 -14.426 -8.035 -0.898 1.00 0.00 N ATOM 901 CA ASP A 59 -15.659 -8.921 -0.801 1.00 0.00 C ATOM 902 C ASP A 59 -15.507 -10.254 -1.538 1.00 0.00 C ATOM 903 O ASP A 59 -16.228 -10.546 -2.473 1.00 0.00 O ATOM 904 CB ASP A 59 -16.819 -8.120 -1.412 1.00 0.00 C ATOM 905 CG ASP A 59 -16.538 -6.614 -1.334 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.754 -6.045 -0.278 1.00 0.00 O ATOM 907 OD2 ASP A 59 -16.113 -6.058 -2.334 1.00 0.00 O ATOM 0 H ASP A 59 -14.212 -7.524 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.830 -9.179 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.963 -8.415 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.744 -8.350 -0.884 1.00 0.00 H new ATOM 912 N GLY A 60 -14.611 -11.086 -1.090 1.00 0.00 N ATOM 913 CA GLY A 60 -14.440 -12.429 -1.709 1.00 0.00 C ATOM 914 C GLY A 60 -13.692 -12.337 -3.035 1.00 0.00 C ATOM 915 O GLY A 60 -13.264 -13.332 -3.585 1.00 0.00 O ATOM 0 H GLY A 60 -13.982 -10.890 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.894 -13.080 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.417 -12.884 -1.871 1.00 0.00 H new ATOM 919 N LEU A 61 -13.557 -11.166 -3.568 1.00 0.00 N ATOM 920 CA LEU A 61 -12.883 -11.008 -4.847 1.00 0.00 C ATOM 921 C LEU A 61 -11.517 -10.357 -4.681 1.00 0.00 C ATOM 922 O LEU A 61 -11.219 -9.349 -5.289 1.00 0.00 O ATOM 923 CB LEU A 61 -13.801 -10.097 -5.547 1.00 0.00 C ATOM 924 CG LEU A 61 -13.792 -10.473 -7.018 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.226 -10.555 -7.545 1.00 0.00 C ATOM 926 CD2 LEU A 61 -13.006 -9.430 -7.815 1.00 0.00 C ATOM 0 H LEU A 61 -13.897 -10.299 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.692 -11.950 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.808 -10.179 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.487 -9.062 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.315 -11.446 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.211 -10.825 -8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.777 -11.311 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.714 -9.588 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.003 -9.705 -8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.474 -8.453 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.981 -9.388 -7.448 1.00 0.00 H new ATOM 938 N GLU A 62 -10.683 -10.921 -3.856 1.00 0.00 N ATOM 939 CA GLU A 62 -9.370 -10.383 -3.617 1.00 0.00 C ATOM 940 C GLU A 62 -8.550 -10.317 -4.908 1.00 0.00 C ATOM 941 O GLU A 62 -8.263 -11.306 -5.550 1.00 0.00 O ATOM 942 CB GLU A 62 -8.928 -11.430 -2.612 1.00 0.00 C ATOM 943 CG GLU A 62 -7.765 -12.270 -3.143 1.00 0.00 C ATOM 944 CD GLU A 62 -6.506 -11.409 -3.247 1.00 0.00 C ATOM 945 OE1 GLU A 62 -6.228 -10.684 -2.306 1.00 0.00 O ATOM 946 OE2 GLU A 62 -5.842 -11.487 -4.269 1.00 0.00 O ATOM 0 H GLU A 62 -10.892 -11.768 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.284 -9.354 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.630 -10.941 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.768 -12.082 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.584 -13.116 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.018 -12.680 -4.121 1.00 0.00 H new ATOM 953 N VAL A 63 -8.192 -9.129 -5.287 1.00 0.00 N ATOM 954 CA VAL A 63 -7.400 -8.945 -6.528 1.00 0.00 C ATOM 955 C VAL A 63 -5.939 -9.235 -6.288 1.00 0.00 C ATOM 956 O VAL A 63 -5.414 -9.091 -5.203 1.00 0.00 O ATOM 957 CB VAL A 63 -7.574 -7.504 -6.938 1.00 0.00 C ATOM 958 CG1 VAL A 63 -9.065 -7.200 -7.085 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.955 -6.597 -5.874 1.00 0.00 C ATOM 0 H VAL A 63 -8.416 -8.269 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.742 -9.630 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.076 -7.325 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.197 -6.159 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.496 -7.851 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.567 -7.372 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.079 -5.555 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.451 -6.766 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.893 -6.823 -5.777 1.00 0.00 H new ATOM 969 N ASP A 64 -5.318 -9.721 -7.298 1.00 0.00 N ATOM 970 CA ASP A 64 -3.925 -10.135 -7.212 1.00 0.00 C ATOM 971 C ASP A 64 -3.143 -9.701 -8.440 1.00 0.00 C ATOM 972 O ASP A 64 -2.922 -10.457 -9.364 1.00 0.00 O ATOM 973 CB ASP A 64 -4.175 -11.576 -7.297 1.00 0.00 C ATOM 974 CG ASP A 64 -3.008 -12.381 -6.720 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.961 -12.532 -5.511 1.00 0.00 O ATOM 976 OD2 ASP A 64 -2.183 -12.831 -7.497 1.00 0.00 O ATOM 0 H ASP A 64 -5.741 -9.852 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.361 -9.754 -6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.090 -11.820 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.334 -11.858 -8.338 1.00 0.00 H new ATOM 981 N VAL A 65 -2.726 -8.494 -8.438 1.00 0.00 N ATOM 982 CA VAL A 65 -1.937 -7.964 -9.597 1.00 0.00 C ATOM 983 C VAL A 65 -1.227 -6.661 -9.210 1.00 0.00 C ATOM 984 O VAL A 65 -1.701 -5.935 -8.359 1.00 0.00 O ATOM 985 CB VAL A 65 -2.966 -7.711 -10.703 1.00 0.00 C ATOM 986 CG1 VAL A 65 -3.815 -6.489 -10.348 1.00 0.00 C ATOM 987 CG2 VAL A 65 -2.240 -7.453 -12.027 1.00 0.00 C ATOM 0 H VAL A 65 -2.888 -7.826 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.162 -8.661 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.610 -8.585 -10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.546 -6.312 -11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.334 -6.668 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.171 -5.615 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.972 -7.273 -12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.595 -6.580 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.635 -8.322 -12.286 1.00 0.00 H new ATOM 997 N PRO A 66 -0.105 -6.398 -9.845 1.00 0.00 N ATOM 998 CA PRO A 66 0.655 -5.172 -9.549 1.00 0.00 C ATOM 999 C PRO A 66 0.151 -4.000 -10.343 1.00 0.00 C ATOM 1000 O PRO A 66 -0.185 -4.071 -11.509 1.00 0.00 O ATOM 1001 CB PRO A 66 2.078 -5.516 -9.941 1.00 0.00 C ATOM 1002 CG PRO A 66 1.962 -6.612 -10.962 1.00 0.00 C ATOM 1003 CD PRO A 66 0.564 -7.197 -10.880 1.00 0.00 C ATOM 0 HA PRO A 66 0.563 -4.876 -8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.591 -4.648 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.654 -5.845 -9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.151 -6.221 -11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.708 -7.385 -10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.046 -7.123 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.590 -8.253 -10.612 1.00 0.00 H new ATOM 1011 N GLY A 67 0.105 -2.928 -9.660 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.382 -1.639 -10.256 1.00 0.00 C ATOM 1013 C GLY A 67 0.642 -0.511 -10.029 1.00 0.00 C ATOM 1014 O GLY A 67 0.281 0.557 -9.577 1.00 0.00 O ATOM 0 H GLY A 67 0.387 -2.862 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.555 -1.769 -11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.338 -1.364 -9.809 1.00 0.00 H new ATOM 1018 N ILE A 68 1.917 -0.725 -10.304 1.00 0.00 N ATOM 1019 CA ILE A 68 2.913 0.348 -10.058 1.00 0.00 C ATOM 1020 C ILE A 68 4.326 -0.142 -10.448 1.00 0.00 C ATOM 1021 O ILE A 68 4.490 -1.257 -10.898 1.00 0.00 O ATOM 1022 CB ILE A 68 2.800 0.523 -8.549 1.00 0.00 C ATOM 1023 CG1 ILE A 68 3.156 1.933 -8.152 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.713 -0.464 -7.828 1.00 0.00 C ATOM 1025 CD1 ILE A 68 2.121 2.899 -8.718 1.00 0.00 C ATOM 0 H ILE A 68 2.295 -1.593 -10.684 1.00 0.00 H new ATOM 0 HA ILE A 68 2.746 1.264 -10.625 1.00 0.00 H new ATOM 0 HB ILE A 68 1.768 0.326 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.192 2.018 -7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.148 2.187 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.620 -0.325 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.426 -1.483 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.746 -0.290 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.379 3.918 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.107 2.821 -9.805 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.136 2.649 -8.324 1.00 0.00 H new ATOM 1037 N ASP A 69 5.351 0.643 -10.195 1.00 0.00 N ATOM 1038 CA ASP A 69 6.750 0.158 -10.459 1.00 0.00 C ATOM 1039 C ASP A 69 7.394 -0.050 -9.113 1.00 0.00 C ATOM 1040 O ASP A 69 8.103 0.785 -8.587 1.00 0.00 O ATOM 1041 CB ASP A 69 7.505 1.201 -11.258 1.00 0.00 C ATOM 1042 CG ASP A 69 9.010 0.975 -11.095 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.566 0.230 -11.886 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.582 1.555 -10.188 1.00 0.00 O ATOM 0 H ASP A 69 5.282 1.589 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 69 6.755 -0.768 -11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.229 1.139 -12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.237 2.201 -10.916 1.00 0.00 H new ATOM 1049 N PRO A 70 7.108 -1.199 -8.629 1.00 0.00 N ATOM 1050 CA PRO A 70 7.611 -1.685 -7.329 1.00 0.00 C ATOM 1051 C PRO A 70 9.115 -1.527 -7.110 1.00 0.00 C ATOM 1052 O PRO A 70 9.598 -1.725 -6.018 1.00 0.00 O ATOM 1053 CB PRO A 70 7.238 -3.150 -7.387 1.00 0.00 C ATOM 1054 CG PRO A 70 7.035 -3.388 -8.864 1.00 0.00 C ATOM 1055 CD PRO A 70 6.275 -2.214 -9.256 1.00 0.00 C ATOM 0 HA PRO A 70 7.188 -1.114 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.026 -3.784 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.334 -3.360 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.981 -3.459 -9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.489 -4.311 -9.057 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.206 -2.096 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.255 -2.222 -8.871 1.00 0.00 H new ATOM 1063 N ASN A 71 9.864 -1.175 -8.095 1.00 0.00 N ATOM 1064 CA ASN A 71 11.320 -1.031 -7.861 1.00 0.00 C ATOM 1065 C ASN A 71 11.663 0.453 -7.815 1.00 0.00 C ATOM 1066 O ASN A 71 12.070 1.041 -8.793 1.00 0.00 O ATOM 1067 CB ASN A 71 12.003 -1.726 -9.035 1.00 0.00 C ATOM 1068 CG ASN A 71 11.189 -2.951 -9.475 1.00 0.00 C ATOM 1069 OD1 ASN A 71 10.631 -3.714 -8.570 1.00 0.00 O flip ATOM 1070 ND2 ASN A 71 11.057 -3.213 -10.654 1.00 0.00 N flip ATOM 0 H ASN A 71 9.544 -0.981 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 71 11.645 -1.473 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.106 -1.031 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.009 -2.033 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.491 -2.619 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.512 -4.027 -10.938 1.00 0.00 H new ATOM 1077 N ALA A 72 11.491 1.063 -6.676 1.00 0.00 N ATOM 1078 CA ALA A 72 11.791 2.511 -6.547 1.00 0.00 C ATOM 1079 C ALA A 72 13.302 2.707 -6.415 1.00 0.00 C ATOM 1080 O ALA A 72 13.762 3.786 -6.098 1.00 0.00 O ATOM 1081 CB ALA A 72 11.098 2.952 -5.258 1.00 0.00 C ATOM 0 H ALA A 72 11.153 0.615 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 72 11.451 3.083 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.275 4.015 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.026 2.771 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.498 2.384 -4.418 1.00 0.00 H new ATOM 1087 N CYS A 73 14.097 1.683 -6.645 1.00 0.00 N ATOM 1088 CA CYS A 73 15.541 1.866 -6.512 1.00 0.00 C ATOM 1089 C CYS A 73 16.041 2.585 -7.745 1.00 0.00 C ATOM 1090 O CYS A 73 17.050 3.263 -7.726 1.00 0.00 O ATOM 1091 CB CYS A 73 16.057 0.466 -6.394 1.00 0.00 C ATOM 1092 SG CYS A 73 17.366 0.389 -5.138 1.00 0.00 S ATOM 0 H CYS A 73 13.792 0.748 -6.915 1.00 0.00 H new ATOM 0 HA CYS A 73 15.862 2.467 -5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.244 -0.208 -6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.445 0.130 -7.356 1.00 0.00 H new ATOM 1097 N HIS A 74 15.268 2.534 -8.791 1.00 0.00 N ATOM 1098 CA HIS A 74 15.613 3.305 -9.980 1.00 0.00 C ATOM 1099 C HIS A 74 14.980 4.687 -9.795 1.00 0.00 C ATOM 1100 O HIS A 74 14.797 5.444 -10.728 1.00 0.00 O ATOM 1101 CB HIS A 74 15.066 2.609 -11.227 1.00 0.00 C ATOM 1102 CG HIS A 74 14.794 1.168 -10.947 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.630 0.454 -10.137 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.820 0.295 -11.362 1.00 0.00 C ATOM 1105 CE1 HIS A 74 15.168 -0.807 -10.075 1.00 0.00 C ATOM 1106 NE2 HIS A 74 14.060 -0.959 -10.807 1.00 0.00 N ATOM 0 H HIS A 74 14.411 1.985 -8.859 1.00 0.00 H new ATOM 0 HA HIS A 74 16.692 3.392 -10.109 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.150 3.101 -11.552 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.783 2.698 -12.044 1.00 0.00 H new ATOM 0 HD1 HIS A 74 16.458 0.814 -9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.997 0.542 -12.016 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.634 -1.598 -9.505 1.00 0.00 H new ATOM 1114 N TYR A 75 14.648 5.009 -8.557 1.00 0.00 N ATOM 1115 CA TYR A 75 14.041 6.293 -8.228 1.00 0.00 C ATOM 1116 C TYR A 75 14.738 6.913 -7.011 1.00 0.00 C ATOM 1117 O TYR A 75 14.516 8.064 -6.692 1.00 0.00 O ATOM 1118 CB TYR A 75 12.547 6.063 -7.961 1.00 0.00 C ATOM 1119 CG TYR A 75 11.904 5.189 -9.051 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.358 3.877 -9.325 1.00 0.00 C ATOM 1121 CD2 TYR A 75 10.844 5.714 -9.813 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.758 3.127 -10.351 1.00 0.00 C ATOM 1123 CE2 TYR A 75 10.249 4.953 -10.825 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.707 3.669 -11.095 1.00 0.00 C ATOM 1125 OH TYR A 75 10.136 2.942 -12.115 1.00 0.00 O ATOM 0 H TYR A 75 14.789 4.395 -7.755 1.00 0.00 H new ATOM 0 HA TYR A 75 14.155 6.992 -9.056 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.420 5.586 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.033 7.023 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.165 3.452 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.486 6.714 -9.615 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.110 2.129 -10.565 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.431 5.365 -11.398 1.00 0.00 H new ATOM 0 HH TYR A 75 10.719 2.189 -12.347 1.00 0.00 H new ATOM 1135 N MET A 76 15.605 6.183 -6.329 1.00 0.00 N ATOM 1136 CA MET A 76 16.295 6.784 -5.185 1.00 0.00 C ATOM 1137 C MET A 76 17.532 6.008 -4.768 1.00 0.00 C ATOM 1138 O MET A 76 17.538 4.810 -4.567 1.00 0.00 O ATOM 1139 CB MET A 76 15.297 6.911 -4.059 1.00 0.00 C ATOM 1140 CG MET A 76 15.181 5.594 -3.459 1.00 0.00 C ATOM 1141 SD MET A 76 13.491 5.287 -2.884 1.00 0.00 S ATOM 1142 CE MET A 76 13.601 3.483 -2.781 1.00 0.00 C ATOM 0 H MET A 76 15.846 5.212 -6.530 1.00 0.00 H new ATOM 0 HA MET A 76 16.668 7.769 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.632 7.643 -3.325 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.332 7.253 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.465 4.833 -4.186 1.00 0.00 H new ATOM 0 HG3 MET A 76 15.874 5.510 -2.622 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.610 3.068 -2.595 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.990 3.088 -3.720 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.269 3.205 -1.966 1.00 0.00 H new ATOM 1152 N LYS A 77 18.567 6.762 -4.681 1.00 0.00 N ATOM 1153 CA LYS A 77 19.929 6.285 -4.321 1.00 0.00 C ATOM 1154 C LYS A 77 19.978 4.835 -3.958 1.00 0.00 C ATOM 1155 O LYS A 77 19.927 4.417 -2.824 1.00 0.00 O ATOM 1156 CB LYS A 77 20.418 7.166 -3.176 1.00 0.00 C ATOM 1157 CG LYS A 77 19.446 7.058 -2.003 1.00 0.00 C ATOM 1158 CD LYS A 77 19.274 8.433 -1.363 1.00 0.00 C ATOM 1159 CE LYS A 77 17.849 8.571 -0.818 1.00 0.00 C ATOM 1160 NZ LYS A 77 17.832 7.754 0.427 1.00 0.00 N ATOM 0 H LYS A 77 18.529 7.766 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 77 20.580 6.367 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.416 6.857 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.493 8.202 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 77 18.483 6.681 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.822 6.346 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.997 8.563 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.471 9.214 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.605 9.613 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 77 17.114 8.209 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.032 7.090 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.722 7.221 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.730 8.380 1.251 1.00 0.00 H new ATOM 1174 N CYS A 78 20.132 4.110 -4.980 1.00 0.00 N ATOM 1175 CA CYS A 78 20.256 2.650 -4.928 1.00 0.00 C ATOM 1176 C CYS A 78 21.746 2.278 -5.012 1.00 0.00 C ATOM 1177 O CYS A 78 22.463 2.867 -5.794 1.00 0.00 O ATOM 1178 CB CYS A 78 19.516 2.259 -6.172 1.00 0.00 C ATOM 1179 SG CYS A 78 19.106 0.495 -6.164 1.00 0.00 S ATOM 0 H CYS A 78 20.182 4.488 -5.926 1.00 0.00 H new ATOM 0 HA CYS A 78 19.874 2.168 -4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 78 18.602 2.847 -6.254 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.123 2.490 -7.047 1.00 0.00 H new ATOM 1184 N PRO A 79 22.193 1.341 -4.209 1.00 0.00 N ATOM 1185 CA PRO A 79 21.325 0.617 -3.252 1.00 0.00 C ATOM 1186 C PRO A 79 21.021 1.431 -1.988 1.00 0.00 C ATOM 1187 O PRO A 79 21.649 2.426 -1.684 1.00 0.00 O ATOM 1188 CB PRO A 79 22.153 -0.614 -2.883 1.00 0.00 C ATOM 1189 CG PRO A 79 23.552 -0.267 -3.152 1.00 0.00 C ATOM 1190 CD PRO A 79 23.582 0.882 -4.130 1.00 0.00 C ATOM 0 HA PRO A 79 20.353 0.393 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.013 -0.877 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.847 -1.479 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.058 0.010 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.083 -1.126 -3.561 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.243 1.678 -3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 79 23.949 0.562 -5.105 1.00 0.00 H new ATOM 1198 N LEU A 80 20.048 0.967 -1.260 1.00 0.00 N ATOM 1199 CA LEU A 80 19.607 1.602 0.007 1.00 0.00 C ATOM 1200 C LEU A 80 20.384 1.052 1.210 1.00 0.00 C ATOM 1201 O LEU A 80 20.471 -0.153 1.427 1.00 0.00 O ATOM 1202 CB LEU A 80 18.136 1.211 0.088 1.00 0.00 C ATOM 1203 CG LEU A 80 17.332 1.956 -0.987 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.222 2.806 -1.918 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.581 0.939 -1.842 1.00 0.00 C ATOM 0 H LEU A 80 19.516 0.132 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 80 19.774 2.679 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.030 0.135 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.743 1.448 1.077 1.00 0.00 H new ATOM 0 HG LEU A 80 16.650 2.629 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.599 3.309 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.759 3.550 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.938 2.160 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.007 1.461 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.294 0.266 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.904 0.363 -1.211 1.00 0.00 H new ATOM 1217 N VAL A 81 20.947 1.943 1.982 1.00 0.00 N ATOM 1218 CA VAL A 81 21.712 1.557 3.174 1.00 0.00 C ATOM 1219 C VAL A 81 20.948 1.859 4.451 1.00 0.00 C ATOM 1220 O VAL A 81 20.219 2.816 4.597 1.00 0.00 O ATOM 1221 CB VAL A 81 23.024 2.312 3.122 1.00 0.00 C ATOM 1222 CG1 VAL A 81 24.082 1.522 3.893 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.478 2.489 1.669 1.00 0.00 C ATOM 0 H VAL A 81 20.899 2.949 1.820 1.00 0.00 H new ATOM 0 HA VAL A 81 21.889 0.481 3.180 1.00 0.00 H new ATOM 0 HB VAL A 81 22.891 3.297 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 81 25.031 2.058 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.765 1.405 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.205 0.539 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.422 3.033 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.612 1.510 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.723 3.049 1.118 1.00 0.00 H new ATOM 1233 N LYS A 82 21.078 0.929 5.307 1.00 0.00 N ATOM 1234 CA LYS A 82 20.371 0.871 6.622 1.00 0.00 C ATOM 1235 C LYS A 82 20.319 2.150 7.429 1.00 0.00 C ATOM 1236 O LYS A 82 21.298 2.712 7.878 1.00 0.00 O ATOM 1237 CB LYS A 82 21.060 -0.242 7.373 1.00 0.00 C ATOM 1238 CG LYS A 82 20.280 -0.694 8.594 1.00 0.00 C ATOM 1239 CD LYS A 82 20.803 -0.077 9.777 1.00 0.00 C ATOM 1240 CE LYS A 82 21.991 -0.897 10.104 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.667 -0.235 11.256 1.00 0.00 N ATOM 0 H LYS A 82 21.694 0.130 5.153 1.00 0.00 H new ATOM 0 HA LYS A 82 19.310 0.697 6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.205 -1.091 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.050 0.092 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.227 -0.437 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.334 -1.779 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.072 0.964 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.075 -0.085 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.699 -1.915 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.662 -0.964 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.512 -0.779 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.947 0.730 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.014 -0.193 12.064 1.00 0.00 H new ATOM 1255 N GLY A 83 19.103 2.552 7.610 1.00 0.00 N ATOM 1256 CA GLY A 83 18.741 3.749 8.388 1.00 0.00 C ATOM 1257 C GLY A 83 18.119 4.737 7.448 1.00 0.00 C ATOM 1258 O GLY A 83 17.441 5.668 7.834 1.00 0.00 O ATOM 0 H GLY A 83 18.296 2.063 7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.044 3.490 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.624 4.177 8.863 1.00 0.00 H new ATOM 1262 N GLN A 84 18.350 4.519 6.211 1.00 0.00 N ATOM 1263 CA GLN A 84 17.789 5.408 5.207 1.00 0.00 C ATOM 1264 C GLN A 84 16.322 5.210 5.059 1.00 0.00 C ATOM 1265 O GLN A 84 15.811 4.119 4.862 1.00 0.00 O ATOM 1266 CB GLN A 84 18.499 5.208 3.898 1.00 0.00 C ATOM 1267 CG GLN A 84 19.959 5.621 4.050 1.00 0.00 C ATOM 1268 CD GLN A 84 20.591 5.910 2.666 1.00 0.00 C ATOM 1269 OE1 GLN A 84 19.881 5.830 1.547 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 21.765 6.216 2.595 1.00 0.00 N flip ATOM 0 H GLN A 84 18.913 3.750 5.848 1.00 0.00 H new ATOM 0 HA GLN A 84 17.939 6.437 5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.434 4.164 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.021 5.800 3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.028 6.508 4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.516 4.830 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.327 6.283 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.188 6.406 1.687 1.00 0.00 H new ATOM 1279 N GLN A 85 15.658 6.290 5.138 1.00 0.00 N ATOM 1280 CA GLN A 85 14.182 6.264 4.973 1.00 0.00 C ATOM 1281 C GLN A 85 13.894 5.870 3.548 1.00 0.00 C ATOM 1282 O GLN A 85 14.627 6.187 2.634 1.00 0.00 O ATOM 1283 CB GLN A 85 13.653 7.659 5.272 1.00 0.00 C ATOM 1284 CG GLN A 85 13.652 7.903 6.786 1.00 0.00 C ATOM 1285 CD GLN A 85 14.393 9.219 7.106 1.00 0.00 C ATOM 1286 OE1 GLN A 85 14.449 10.203 6.221 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 14.939 9.358 8.183 1.00 0.00 N flip ATOM 0 H GLN A 85 16.061 7.211 5.311 1.00 0.00 H new ATOM 0 HA GLN A 85 13.702 5.554 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.271 8.406 4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 85 12.643 7.767 4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.627 7.953 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.134 7.070 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.903 8.608 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.433 10.225 8.396 1.00 0.00 H new ATOM 1296 N TYR A 86 12.847 5.165 3.366 1.00 0.00 N ATOM 1297 CA TYR A 86 12.487 4.703 2.025 1.00 0.00 C ATOM 1298 C TYR A 86 10.992 4.764 1.902 1.00 0.00 C ATOM 1299 O TYR A 86 10.254 4.238 2.713 1.00 0.00 O ATOM 1300 CB TYR A 86 13.005 3.277 1.949 1.00 0.00 C ATOM 1301 CG TYR A 86 14.504 3.376 1.873 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.068 4.281 0.971 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.333 2.605 2.696 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.437 4.420 0.878 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.714 2.748 2.598 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.269 3.654 1.688 1.00 0.00 C ATOM 1307 OH TYR A 86 18.636 3.781 1.593 1.00 0.00 O ATOM 0 H TYR A 86 12.206 4.880 4.106 1.00 0.00 H new ATOM 0 HA TYR A 86 12.908 5.302 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.697 2.704 2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.604 2.764 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.426 4.878 0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.905 1.906 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.863 5.123 0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.361 2.156 3.228 1.00 0.00 H new ATOM 0 HH TYR A 86 18.871 4.728 1.498 1.00 0.00 H new ATOM 1317 N ASP A 87 10.547 5.445 0.917 1.00 0.00 N ATOM 1318 CA ASP A 87 9.093 5.602 0.742 1.00 0.00 C ATOM 1319 C ASP A 87 8.652 4.968 -0.554 1.00 0.00 C ATOM 1320 O ASP A 87 9.230 5.153 -1.607 1.00 0.00 O ATOM 1321 CB ASP A 87 8.827 7.117 0.726 1.00 0.00 C ATOM 1322 CG ASP A 87 9.894 7.813 -0.122 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.364 7.203 -1.067 1.00 0.00 O ATOM 1324 OD2 ASP A 87 10.224 8.945 0.191 1.00 0.00 O ATOM 0 H ASP A 87 11.125 5.907 0.215 1.00 0.00 H new ATOM 0 HA ASP A 87 8.537 5.114 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.836 7.319 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.841 7.510 1.742 1.00 0.00 H new ATOM 1329 N ILE A 88 7.611 4.222 -0.454 1.00 0.00 N ATOM 1330 CA ILE A 88 7.051 3.535 -1.640 1.00 0.00 C ATOM 1331 C ILE A 88 5.735 4.211 -2.009 1.00 0.00 C ATOM 1332 O ILE A 88 5.138 4.922 -1.222 1.00 0.00 O ATOM 1333 CB ILE A 88 6.860 2.069 -1.225 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.890 1.178 -2.432 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.542 1.886 -0.467 1.00 0.00 C ATOM 1336 CD1 ILE A 88 8.310 0.629 -2.662 1.00 0.00 C ATOM 0 H ILE A 88 7.108 4.051 0.416 1.00 0.00 H new ATOM 0 HA ILE A 88 7.696 3.585 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 88 7.680 1.793 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.192 0.352 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.562 1.734 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.428 0.840 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.548 2.507 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.710 2.181 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.313 -0.015 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.000 1.458 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.624 0.055 -1.790 1.00 0.00 H new ATOM 1348 N LYS A 89 5.320 4.033 -3.219 1.00 0.00 N ATOM 1349 CA LYS A 89 4.078 4.711 -3.692 1.00 0.00 C ATOM 1350 C LYS A 89 3.262 3.827 -4.642 1.00 0.00 C ATOM 1351 O LYS A 89 3.801 3.030 -5.383 1.00 0.00 O ATOM 1352 CB LYS A 89 4.619 5.937 -4.429 1.00 0.00 C ATOM 1353 CG LYS A 89 3.567 6.487 -5.389 1.00 0.00 C ATOM 1354 CD LYS A 89 4.017 6.245 -6.832 1.00 0.00 C ATOM 1355 CE LYS A 89 4.071 7.580 -7.580 1.00 0.00 C ATOM 1356 NZ LYS A 89 5.522 7.890 -7.711 1.00 0.00 N ATOM 0 H LYS A 89 5.784 3.445 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 89 3.397 4.950 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.902 6.706 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.520 5.669 -4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.607 6.003 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.423 7.553 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.998 5.769 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.327 5.564 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.594 7.505 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.548 8.362 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.640 8.792 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.948 7.963 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.992 7.132 -8.245 1.00 0.00 H new ATOM 1370 N TYR A 90 1.958 3.991 -4.644 1.00 0.00 N ATOM 1371 CA TYR A 90 1.106 3.188 -5.573 1.00 0.00 C ATOM 1372 C TYR A 90 -0.115 4.000 -6.018 1.00 0.00 C ATOM 1373 O TYR A 90 -1.047 4.185 -5.244 1.00 0.00 O ATOM 1374 CB TYR A 90 0.639 1.965 -4.794 1.00 0.00 C ATOM 1375 CG TYR A 90 -0.267 1.154 -5.713 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -1.607 1.533 -5.920 1.00 0.00 C ATOM 1377 CD2 TYR A 90 0.242 0.040 -6.391 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -2.417 0.798 -6.797 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -0.573 -0.688 -7.266 1.00 0.00 C ATOM 1380 CZ TYR A 90 -1.901 -0.307 -7.467 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.708 -1.028 -8.324 1.00 0.00 O ATOM 0 H TYR A 90 1.452 4.643 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 90 1.669 2.909 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.492 1.367 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.102 2.266 -3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.011 2.391 -5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.268 -0.259 -6.238 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.445 1.090 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.174 -1.546 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.604 -0.630 -8.342 1.00 0.00 H new ATOM 1391 N THR A 91 -0.136 4.481 -7.231 1.00 0.00 N ATOM 1392 CA THR A 91 -1.309 5.258 -7.729 1.00 0.00 C ATOM 1393 C THR A 91 -1.797 4.568 -8.985 1.00 0.00 C ATOM 1394 O THR A 91 -1.123 4.518 -9.995 1.00 0.00 O ATOM 1395 CB THR A 91 -0.782 6.674 -8.020 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.734 7.376 -8.808 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.537 6.578 -8.782 1.00 0.00 C ATOM 0 H THR A 91 0.619 4.368 -7.907 1.00 0.00 H new ATOM 0 HA THR A 91 -2.138 5.316 -7.024 1.00 0.00 H new ATOM 0 HB THR A 91 -0.621 7.205 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.402 8.279 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.911 7.581 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.266 6.035 -8.180 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.377 6.050 -9.722 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.943 3.975 -8.897 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.471 3.209 -10.051 1.00 0.00 C ATOM 1407 C TRP A 92 -4.997 3.388 -10.172 1.00 0.00 C ATOM 1408 O TRP A 92 -5.729 2.885 -9.338 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.145 1.787 -9.655 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.681 1.017 -10.849 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.442 1.092 -11.391 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.417 0.051 -11.647 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.389 0.263 -12.501 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -2.582 -0.406 -12.693 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -4.723 -0.456 -11.568 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.030 -1.338 -13.630 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.178 -1.397 -12.506 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.335 -1.835 -13.537 1.00 0.00 C ATOM 0 H TRP A 92 -3.543 3.986 -8.072 1.00 0.00 H new ATOM 0 HA TRP A 92 -3.054 3.516 -11.010 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.372 1.783 -8.887 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.025 1.310 -9.224 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.629 1.698 -11.020 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.571 0.160 -13.101 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.382 -0.121 -10.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.375 -1.673 -14.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.183 -1.785 -12.433 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -4.692 -2.555 -14.258 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.517 4.097 -11.158 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.995 4.245 -11.217 1.00 0.00 C ATOM 1431 C ASN A 93 -7.622 2.945 -11.771 1.00 0.00 C ATOM 1432 O ASN A 93 -6.990 2.218 -12.509 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.236 5.403 -12.185 1.00 0.00 C ATOM 1434 CG ASN A 93 -6.953 4.944 -13.621 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -7.772 4.109 -14.211 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 -5.974 5.348 -14.215 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.991 4.562 -11.898 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.438 4.433 -10.239 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.265 5.752 -12.101 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.592 6.244 -11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.334 5.998 -13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.792 5.037 -15.169 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.849 2.643 -11.425 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.500 1.396 -11.927 1.00 0.00 C ATOM 1445 C VAL A 94 -11.035 1.595 -11.930 1.00 0.00 C ATOM 1446 O VAL A 94 -11.549 2.636 -11.462 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.051 0.248 -10.978 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -7.785 0.639 -10.208 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -10.155 -0.092 -9.971 1.00 0.00 C ATOM 0 H VAL A 94 -9.431 3.213 -10.811 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.211 1.152 -12.949 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.844 -0.624 -11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.491 -0.180 -9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.980 0.846 -10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.983 1.530 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.817 -0.897 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.384 0.789 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.050 -0.410 -10.506 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.737 0.600 -12.443 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.192 0.686 -12.560 1.00 0.00 C ATOM 1461 C PRO A 95 -13.788 1.375 -11.375 1.00 0.00 C ATOM 1462 O PRO A 95 -13.169 1.525 -10.333 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.617 -0.772 -12.749 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.428 -1.533 -12.295 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.310 -0.721 -12.868 1.00 0.00 C ATOM 0 HA PRO A 95 -13.545 1.297 -13.391 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.500 -1.014 -12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.861 -0.989 -13.789 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.373 -1.596 -11.208 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.427 -2.555 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.338 -0.999 -12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.239 -0.811 -13.952 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.937 1.924 -11.547 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.445 2.710 -10.453 1.00 0.00 C ATOM 1475 C LYS A 96 -16.086 1.933 -9.314 1.00 0.00 C ATOM 1476 O LYS A 96 -16.138 2.389 -8.189 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.373 3.643 -11.045 1.00 0.00 C ATOM 1478 CG LYS A 96 -15.453 4.708 -11.574 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.699 4.170 -12.778 1.00 0.00 C ATOM 1480 CE LYS A 96 -14.454 5.297 -13.784 1.00 0.00 C ATOM 1481 NZ LYS A 96 -14.193 4.604 -15.074 1.00 0.00 N ATOM 0 H LYS A 96 -15.524 1.859 -12.379 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.605 3.194 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.963 3.183 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -17.076 4.039 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -16.025 5.592 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.751 5.016 -10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.749 3.741 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.270 3.369 -13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.318 5.957 -13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.606 5.914 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.015 5.309 -15.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.361 3.988 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.020 4.029 -15.333 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.624 0.795 -9.603 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.316 0.021 -8.542 1.00 0.00 C ATOM 1497 C ILE A 97 -17.168 -1.502 -8.689 1.00 0.00 C ATOM 1498 O ILE A 97 -18.108 -2.249 -8.504 1.00 0.00 O ATOM 1499 CB ILE A 97 -18.741 0.473 -8.633 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.137 0.701 -7.237 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -19.669 -0.505 -9.373 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -20.635 0.494 -6.999 1.00 0.00 C ATOM 0 H ILE A 97 -16.618 0.362 -10.527 1.00 0.00 H new ATOM 0 HA ILE A 97 -16.878 0.210 -7.562 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.831 1.372 -9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.575 0.026 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -18.866 1.717 -6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.681 -0.101 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.313 -0.643 -10.394 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -19.672 -1.465 -8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -20.865 0.677 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.201 1.187 -7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -20.906 -0.530 -7.257 1.00 0.00 H new ATOM 1514 N ALA A 98 -15.995 -1.982 -8.997 1.00 0.00 N ATOM 1515 CA ALA A 98 -15.823 -3.455 -9.127 1.00 0.00 C ATOM 1516 C ALA A 98 -16.163 -4.134 -7.799 1.00 0.00 C ATOM 1517 O ALA A 98 -16.970 -5.040 -7.756 1.00 0.00 O ATOM 1518 CB ALA A 98 -14.349 -3.676 -9.483 1.00 0.00 C ATOM 0 H ALA A 98 -15.157 -1.425 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 98 -16.480 -3.877 -9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.157 -4.743 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.121 -3.168 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.719 -3.274 -8.690 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.525 -3.668 -6.755 1.00 0.00 N ATOM 1525 CA PRO A 99 -15.749 -4.228 -5.400 1.00 0.00 C ATOM 1526 C PRO A 99 -17.046 -3.807 -4.862 1.00 0.00 C ATOM 1527 O PRO A 99 -17.756 -2.980 -5.400 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.552 -3.737 -4.594 1.00 0.00 C ATOM 1529 CG PRO A 99 -14.113 -2.485 -5.290 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.538 -2.585 -6.739 1.00 0.00 C ATOM 0 HA PRO A 99 -15.806 -5.316 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.827 -3.539 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.755 -4.480 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.562 -1.610 -4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.032 -2.367 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -14.970 -1.649 -7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.691 -2.810 -7.387 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.442 -4.562 -3.902 1.00 0.00 N ATOM 1539 CA LYS A 100 -18.791 -4.425 -3.424 1.00 0.00 C ATOM 1540 C LYS A 100 -18.819 -3.817 -2.026 1.00 0.00 C ATOM 1541 O LYS A 100 -18.468 -4.483 -1.077 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.324 -5.868 -3.426 1.00 0.00 C ATOM 1543 CG LYS A 100 -18.520 -6.770 -4.359 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.369 -6.052 -5.691 1.00 0.00 C ATOM 1545 CE LYS A 100 -19.341 -6.699 -6.638 1.00 0.00 C ATOM 1546 NZ LYS A 100 -18.608 -6.872 -7.923 1.00 0.00 N ATOM 0 H LYS A 100 -16.875 -5.269 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.395 -3.757 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.289 -6.270 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.370 -5.868 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.542 -6.987 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.027 -7.725 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.581 -4.988 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.348 -6.138 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.682 -7.659 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.226 -6.077 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.290 -7.025 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.048 -6.018 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.974 -7.694 -7.853 1.00 0.00 H new ATOM 1560 N SER A 101 -19.207 -2.570 -1.876 1.00 0.00 N ATOM 1561 CA SER A 101 -19.216 -1.982 -0.475 1.00 0.00 C ATOM 1562 C SER A 101 -19.734 -2.986 0.512 1.00 0.00 C ATOM 1563 O SER A 101 -20.914 -3.138 0.757 1.00 0.00 O ATOM 1564 CB SER A 101 -20.093 -0.736 -0.465 1.00 0.00 C ATOM 1565 OG SER A 101 -21.171 -0.897 -1.377 1.00 0.00 O ATOM 0 H SER A 101 -19.509 -1.947 -2.625 1.00 0.00 H new ATOM 0 HA SER A 101 -18.198 -1.717 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.478 -0.560 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.502 0.138 -0.738 1.00 0.00 H new ATOM 0 HG SER A 101 -21.732 -0.094 -1.365 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.802 -3.641 1.093 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.109 -4.664 2.135 1.00 0.00 C ATOM 1573 C GLU A 102 -17.924 -5.015 2.890 1.00 0.00 C ATOM 1574 O GLU A 102 -17.945 -5.302 4.070 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.350 -6.045 1.491 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.546 -5.996 0.540 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.624 -7.301 -0.254 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -19.929 -8.235 0.111 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -21.378 -7.343 -1.212 1.00 0.00 O ATOM 0 H GLU A 102 -17.808 -3.520 0.896 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.935 -4.234 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.459 -6.359 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.527 -6.788 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.466 -5.846 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.448 -5.150 -0.140 1.00 0.00 H new ATOM 1586 N ASN A 103 -16.969 -5.354 2.100 1.00 0.00 N ATOM 1587 CA ASN A 103 -15.909 -6.087 2.698 1.00 0.00 C ATOM 1588 C ASN A 103 -14.637 -6.076 1.885 1.00 0.00 C ATOM 1589 O ASN A 103 -14.291 -7.038 1.237 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.672 -7.389 2.608 1.00 0.00 C ATOM 1591 CG ASN A 103 -15.801 -8.561 3.063 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -14.635 -8.333 3.626 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.182 -9.703 2.911 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.895 -5.154 1.103 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.522 -5.766 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.568 -7.334 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.002 -7.552 1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.086 -9.885 2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -15.598 -10.481 3.219 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.933 -5.014 1.944 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.655 -4.942 1.180 1.00 0.00 C ATOM 1602 C VAL A 104 -11.574 -4.145 1.940 1.00 0.00 C ATOM 1603 O VAL A 104 -11.849 -3.144 2.571 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.986 -4.270 -0.141 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.790 -4.318 -1.081 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -14.244 -4.861 -0.813 1.00 0.00 C ATOM 0 H VAL A 104 -14.170 -4.181 2.483 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.244 -5.941 1.032 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.216 -3.228 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.047 -3.832 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.947 -3.801 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.519 -5.356 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.432 -4.342 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.087 -5.922 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.102 -4.737 -0.152 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.340 -4.595 1.868 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.208 -3.906 2.553 1.00 0.00 C ATOM 1618 C VAL A 105 -7.929 -4.235 1.783 1.00 0.00 C ATOM 1619 O VAL A 105 -7.670 -5.369 1.424 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.145 -4.482 3.981 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.722 -3.383 4.956 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -10.517 -5.018 4.408 1.00 0.00 C ATOM 0 H VAL A 105 -10.070 -5.431 1.350 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.330 -2.824 2.590 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.422 -5.298 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.677 -3.790 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.740 -3.004 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.447 -2.570 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.452 -5.420 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.247 -4.209 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.829 -5.806 3.723 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.147 -3.237 1.518 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.882 -3.451 0.757 1.00 0.00 C ATOM 1634 C VAL A 106 -4.714 -3.644 1.693 1.00 0.00 C ATOM 1635 O VAL A 106 -4.609 -3.033 2.732 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.736 -2.220 -0.130 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.687 -1.239 0.427 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -5.333 -2.696 -1.529 1.00 0.00 C ATOM 0 H VAL A 106 -7.325 -2.272 1.795 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.906 -4.358 0.153 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.683 -1.682 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.611 -0.374 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.988 -0.911 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.719 -1.736 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.221 -1.835 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.387 -3.235 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.104 -3.357 -1.924 1.00 0.00 H new ATOM 1648 N THR A 107 -3.841 -4.491 1.295 1.00 0.00 N ATOM 1649 CA THR A 107 -2.625 -4.798 2.087 1.00 0.00 C ATOM 1650 C THR A 107 -1.443 -4.729 1.136 1.00 0.00 C ATOM 1651 O THR A 107 -1.380 -5.476 0.169 1.00 0.00 O ATOM 1652 CB THR A 107 -2.820 -6.198 2.569 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.207 -6.499 2.639 1.00 0.00 O ATOM 1654 CG2 THR A 107 -2.174 -6.320 3.947 1.00 0.00 C ATOM 0 H THR A 107 -3.913 -5.010 0.420 1.00 0.00 H new ATOM 0 HA THR A 107 -2.454 -4.116 2.920 1.00 0.00 H new ATOM 0 HB THR A 107 -2.358 -6.905 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.327 -7.419 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.303 -7.336 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.110 -6.094 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.646 -5.618 4.634 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.525 -3.834 1.331 1.00 0.00 N ATOM 1663 CA VAL A 108 0.596 -3.760 0.364 1.00 0.00 C ATOM 1664 C VAL A 108 1.907 -3.701 1.146 1.00 0.00 C ATOM 1665 O VAL A 108 2.024 -3.061 2.167 1.00 0.00 O ATOM 1666 CB VAL A 108 0.315 -2.497 -0.480 1.00 0.00 C ATOM 1667 CG1 VAL A 108 1.128 -2.473 -1.779 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.199 -2.389 -0.777 1.00 0.00 C ATOM 0 H VAL A 108 -0.499 -3.164 2.100 1.00 0.00 H new ATOM 0 HA VAL A 108 0.682 -4.622 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 108 0.630 -1.632 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.896 -1.566 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.192 -2.491 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.876 -3.345 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.390 -1.496 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.525 -3.270 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.750 -2.324 0.161 1.00 0.00 H new ATOM 1678 N LYS A 109 2.878 -4.407 0.654 1.00 0.00 N ATOM 1679 CA LYS A 109 4.203 -4.467 1.337 1.00 0.00 C ATOM 1680 C LYS A 109 5.341 -4.257 0.349 1.00 0.00 C ATOM 1681 O LYS A 109 5.299 -4.676 -0.788 1.00 0.00 O ATOM 1682 CB LYS A 109 4.279 -5.840 1.960 1.00 0.00 C ATOM 1683 CG LYS A 109 5.678 -6.255 2.141 1.00 0.00 C ATOM 1684 CD LYS A 109 6.157 -7.075 0.947 1.00 0.00 C ATOM 1685 CE LYS A 109 6.815 -8.354 1.460 1.00 0.00 C ATOM 1686 NZ LYS A 109 6.289 -9.438 0.583 1.00 0.00 N ATOM 0 H LYS A 109 2.814 -4.955 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 109 4.300 -3.680 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.769 -5.836 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.760 -6.560 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.311 -5.376 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.773 -6.843 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.318 -7.318 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.866 -6.498 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.901 -8.290 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.564 -8.535 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.697 -10.349 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.253 -9.480 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.549 -9.243 -0.405 1.00 0.00 H new ATOM 1700 N VAL A 110 6.364 -3.646 0.812 1.00 0.00 N ATOM 1701 CA VAL A 110 7.563 -3.403 -0.001 1.00 0.00 C ATOM 1702 C VAL A 110 8.592 -4.477 0.391 1.00 0.00 C ATOM 1703 O VAL A 110 8.877 -4.654 1.574 1.00 0.00 O ATOM 1704 CB VAL A 110 8.030 -2.011 0.409 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.540 -1.839 0.155 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.247 -0.966 -0.391 1.00 0.00 C ATOM 0 H VAL A 110 6.425 -3.287 1.765 1.00 0.00 H new ATOM 0 HA VAL A 110 7.404 -3.452 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 110 7.849 -1.878 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.848 -0.838 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.093 -2.578 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.749 -1.979 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.575 0.033 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.426 -1.114 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.182 -1.072 -0.184 1.00 0.00 H new ATOM 1716 N MET A 111 9.141 -5.194 -0.584 1.00 0.00 N ATOM 1717 CA MET A 111 10.146 -6.261 -0.287 1.00 0.00 C ATOM 1718 C MET A 111 11.497 -5.771 -0.741 1.00 0.00 C ATOM 1719 O MET A 111 11.676 -5.370 -1.874 1.00 0.00 O ATOM 1720 CB MET A 111 9.687 -7.482 -1.073 1.00 0.00 C ATOM 1721 CG MET A 111 10.829 -8.499 -1.211 1.00 0.00 C ATOM 1722 SD MET A 111 11.837 -8.092 -2.658 1.00 0.00 S ATOM 1723 CE MET A 111 12.023 -9.781 -3.284 1.00 0.00 C ATOM 0 H MET A 111 8.926 -5.075 -1.574 1.00 0.00 H new ATOM 0 HA MET A 111 10.226 -6.508 0.772 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.839 -7.946 -0.570 1.00 0.00 H new ATOM 0 HB3 MET A 111 9.344 -7.177 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 111 11.446 -8.492 -0.312 1.00 0.00 H new ATOM 0 HG3 MET A 111 10.423 -9.505 -1.310 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.624 -9.768 -4.193 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.517 -10.396 -2.531 1.00 0.00 H new ATOM 0 HE3 MET A 111 11.040 -10.198 -3.505 1.00 0.00 H new ATOM 1733 N GLY A 112 12.424 -5.712 0.144 1.00 0.00 N ATOM 1734 CA GLY A 112 13.746 -5.138 -0.226 1.00 0.00 C ATOM 1735 C GLY A 112 14.619 -6.052 -1.095 1.00 0.00 C ATOM 1736 O GLY A 112 14.219 -6.543 -2.132 1.00 0.00 O ATOM 0 H GLY A 112 12.337 -6.032 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.584 -4.200 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.291 -4.898 0.687 1.00 0.00 H new ATOM 1740 N ASP A 113 15.851 -6.188 -0.685 1.00 0.00 N ATOM 1741 CA ASP A 113 16.872 -6.953 -1.445 1.00 0.00 C ATOM 1742 C ASP A 113 17.048 -8.348 -0.938 1.00 0.00 C ATOM 1743 O ASP A 113 17.971 -9.044 -1.312 1.00 0.00 O ATOM 1744 CB ASP A 113 18.154 -6.164 -1.213 1.00 0.00 C ATOM 1745 CG ASP A 113 18.680 -6.440 0.200 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.876 -6.450 1.118 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.876 -6.638 0.339 1.00 0.00 O ATOM 0 H ASP A 113 16.201 -5.781 0.182 1.00 0.00 H new ATOM 0 HA ASP A 113 16.588 -7.057 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.904 -6.445 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.965 -5.098 -1.340 1.00 0.00 H new ATOM 1752 N ASP A 114 16.214 -8.766 -0.086 1.00 0.00 N ATOM 1753 CA ASP A 114 16.403 -10.105 0.422 1.00 0.00 C ATOM 1754 C ASP A 114 15.219 -10.657 1.195 1.00 0.00 C ATOM 1755 O ASP A 114 15.180 -11.833 1.494 1.00 0.00 O ATOM 1756 CB ASP A 114 17.626 -10.005 1.315 1.00 0.00 C ATOM 1757 CG ASP A 114 17.438 -8.867 2.321 1.00 0.00 C ATOM 1758 OD1 ASP A 114 16.373 -8.274 2.321 1.00 0.00 O ATOM 1759 OD2 ASP A 114 18.363 -8.611 3.073 1.00 0.00 O ATOM 0 H ASP A 114 15.415 -8.248 0.281 1.00 0.00 H new ATOM 0 HA ASP A 114 16.520 -10.804 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.782 -10.947 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.516 -9.826 0.711 1.00 0.00 H new ATOM 1764 N GLY A 115 14.278 -9.860 1.576 1.00 0.00 N ATOM 1765 CA GLY A 115 13.199 -10.421 2.359 1.00 0.00 C ATOM 1766 C GLY A 115 11.946 -9.657 2.215 1.00 0.00 C ATOM 1767 O GLY A 115 11.043 -9.910 1.444 1.00 0.00 O ATOM 0 H GLY A 115 14.220 -8.861 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 115 13.030 -11.453 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.489 -10.444 3.409 1.00 0.00 H new ATOM 1771 N VAL A 116 11.944 -8.763 3.057 1.00 0.00 N ATOM 1772 CA VAL A 116 10.822 -7.844 3.255 1.00 0.00 C ATOM 1773 C VAL A 116 11.316 -6.436 3.553 1.00 0.00 C ATOM 1774 O VAL A 116 12.500 -6.170 3.614 1.00 0.00 O ATOM 1775 CB VAL A 116 10.055 -8.426 4.424 1.00 0.00 C ATOM 1776 CG1 VAL A 116 10.766 -8.087 5.730 1.00 0.00 C ATOM 1777 CG2 VAL A 116 8.638 -7.847 4.427 1.00 0.00 C ATOM 0 H VAL A 116 12.728 -8.591 3.687 1.00 0.00 H new ATOM 0 HA VAL A 116 10.198 -7.751 2.366 1.00 0.00 H new ATOM 0 HB VAL A 116 10.003 -9.511 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.210 -8.508 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.772 -8.506 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.825 -7.004 5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.078 -8.260 5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.688 -6.762 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.137 -8.105 3.494 1.00 0.00 H new ATOM 1787 N LEU A 117 10.406 -5.538 3.724 1.00 0.00 N ATOM 1788 CA LEU A 117 10.785 -4.125 4.008 1.00 0.00 C ATOM 1789 C LEU A 117 9.737 -3.435 4.877 1.00 0.00 C ATOM 1790 O LEU A 117 10.017 -3.026 5.987 1.00 0.00 O ATOM 1791 CB LEU A 117 10.896 -3.474 2.643 1.00 0.00 C ATOM 1792 CG LEU A 117 11.949 -2.360 2.670 1.00 0.00 C ATOM 1793 CD1 LEU A 117 11.799 -1.522 3.943 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.349 -2.978 2.631 1.00 0.00 C ATOM 0 H LEU A 117 9.402 -5.715 3.681 1.00 0.00 H new ATOM 0 HA LEU A 117 11.717 -4.053 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.166 -4.221 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 117 9.930 -3.064 2.348 1.00 0.00 H new ATOM 0 HG LEU A 117 11.806 -1.717 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.552 -0.734 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.805 -1.074 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.932 -2.160 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.097 -2.186 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.485 -3.626 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.463 -3.563 1.718 1.00 0.00 H new ATOM 1806 N ALA A 118 8.536 -3.298 4.399 1.00 0.00 N ATOM 1807 CA ALA A 118 7.485 -2.621 5.245 1.00 0.00 C ATOM 1808 C ALA A 118 6.115 -2.910 4.684 1.00 0.00 C ATOM 1809 O ALA A 118 5.875 -2.755 3.519 1.00 0.00 O ATOM 1810 CB ALA A 118 7.812 -1.129 5.168 1.00 0.00 C ATOM 0 H ALA A 118 8.227 -3.614 3.480 1.00 0.00 H new ATOM 0 HA ALA A 118 7.483 -2.973 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.090 -0.567 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.815 -0.956 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.765 -0.799 4.130 1.00 0.00 H new ATOM 1816 N CYS A 119 5.209 -3.343 5.482 1.00 0.00 N ATOM 1817 CA CYS A 119 3.859 -3.669 4.906 1.00 0.00 C ATOM 1818 C CYS A 119 2.714 -3.120 5.719 1.00 0.00 C ATOM 1819 O CYS A 119 2.671 -3.206 6.931 1.00 0.00 O ATOM 1820 CB CYS A 119 3.795 -5.185 4.801 1.00 0.00 C ATOM 1821 SG CYS A 119 3.215 -5.920 6.325 1.00 0.00 S ATOM 0 H CYS A 119 5.317 -3.490 6.486 1.00 0.00 H new ATOM 0 HA CYS A 119 3.749 -3.194 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.131 -5.467 3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 119 4.783 -5.577 4.559 1.00 0.00 H new ATOM 1826 N ALA A 120 1.783 -2.542 5.027 1.00 0.00 N ATOM 1827 CA ALA A 120 0.604 -1.953 5.720 1.00 0.00 C ATOM 1828 C ALA A 120 -0.683 -2.118 4.910 1.00 0.00 C ATOM 1829 O ALA A 120 -0.733 -1.948 3.699 1.00 0.00 O ATOM 1830 CB ALA A 120 0.945 -0.469 5.909 1.00 0.00 C ATOM 0 H ALA A 120 1.783 -2.449 4.011 1.00 0.00 H new ATOM 0 HA ALA A 120 0.416 -2.457 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.120 0.032 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.849 -0.377 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.109 -0.006 4.936 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.710 -2.488 5.610 1.00 0.00 N ATOM 1837 CA ILE A 121 -3.049 -2.716 5.021 1.00 0.00 C ATOM 1838 C ILE A 121 -4.051 -1.635 5.479 1.00 0.00 C ATOM 1839 O ILE A 121 -4.169 -1.353 6.655 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.415 -4.050 5.579 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.483 -4.668 4.846 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.764 -3.964 7.046 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.798 -3.907 5.013 1.00 0.00 C ATOM 0 H ILE A 121 -1.671 -2.649 6.616 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.059 -2.675 3.932 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.532 -4.680 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.220 -4.713 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.611 -5.695 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.025 -4.955 7.417 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.908 -3.583 7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.612 -3.292 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.582 -4.406 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -6.074 -3.885 6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.677 -2.887 4.648 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.778 -1.035 4.567 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.768 0.008 4.956 1.00 0.00 C ATOM 1857 C ALA A 122 -7.119 -0.295 4.260 1.00 0.00 C ATOM 1858 O ALA A 122 -7.216 -1.236 3.496 1.00 0.00 O ATOM 1859 CB ALA A 122 -5.167 1.307 4.417 1.00 0.00 C ATOM 0 H ALA A 122 -4.725 -1.227 3.567 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.955 0.055 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.828 2.140 4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.192 1.475 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.052 1.233 3.336 1.00 0.00 H new ATOM 1865 N THR A 123 -8.158 0.489 4.484 1.00 0.00 N ATOM 1866 CA THR A 123 -9.451 0.207 3.797 1.00 0.00 C ATOM 1867 C THR A 123 -9.432 0.797 2.385 1.00 0.00 C ATOM 1868 O THR A 123 -9.842 0.163 1.432 1.00 0.00 O ATOM 1869 CB THR A 123 -10.499 0.877 4.640 1.00 0.00 C ATOM 1870 OG1 THR A 123 -10.090 2.196 4.977 1.00 0.00 O ATOM 1871 CG2 THR A 123 -10.690 0.041 5.894 1.00 0.00 C ATOM 0 H THR A 123 -8.159 1.298 5.105 1.00 0.00 H new ATOM 0 HA THR A 123 -9.642 -0.861 3.693 1.00 0.00 H new ATOM 0 HB THR A 123 -11.438 0.952 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.781 2.623 5.525 1.00 0.00 H new ATOM 0 HG21 THR A 123 -11.447 0.503 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 123 -11.013 -0.963 5.617 1.00 0.00 H new ATOM 0 HG23 THR A 123 -9.748 -0.018 6.439 1.00 0.00 H new ATOM 1879 N HIS A 124 -8.950 2.009 2.247 1.00 0.00 N ATOM 1880 CA HIS A 124 -8.886 2.648 0.884 1.00 0.00 C ATOM 1881 C HIS A 124 -10.266 2.766 0.235 1.00 0.00 C ATOM 1882 O HIS A 124 -10.840 1.796 -0.217 1.00 0.00 O ATOM 1883 CB HIS A 124 -7.993 1.756 0.065 1.00 0.00 C ATOM 1884 CG HIS A 124 -6.557 2.071 0.370 1.00 0.00 C ATOM 1885 ND1 HIS A 124 -6.182 2.749 1.519 1.00 0.00 N ATOM 1886 CD2 HIS A 124 -5.394 1.808 -0.308 1.00 0.00 C ATOM 1887 CE1 HIS A 124 -4.844 2.871 1.499 1.00 0.00 C ATOM 1888 NE2 HIS A 124 -4.312 2.314 0.408 1.00 0.00 N ATOM 0 H HIS A 124 -8.599 2.585 3.012 1.00 0.00 H new ATOM 0 HA HIS A 124 -8.505 3.667 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -8.202 0.710 0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -8.191 1.901 -0.997 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -6.808 3.093 2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.328 1.288 -1.252 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.269 3.360 2.271 1.00 0.00 H new ATOM 1896 N ALA A 125 -10.779 3.964 0.160 1.00 0.00 N ATOM 1897 CA ALA A 125 -12.118 4.178 -0.498 1.00 0.00 C ATOM 1898 C ALA A 125 -13.180 3.202 0.043 1.00 0.00 C ATOM 1899 O ALA A 125 -13.150 2.023 -0.245 1.00 0.00 O ATOM 1900 CB ALA A 125 -11.854 3.894 -1.979 1.00 0.00 C ATOM 0 H ALA A 125 -10.336 4.808 0.523 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.505 5.180 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.777 4.025 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -11.098 4.585 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -11.499 2.870 -2.095 1.00 0.00 H new ATOM 1906 N LYS A 126 -14.140 3.686 0.798 1.00 0.00 N ATOM 1907 CA LYS A 126 -15.212 2.783 1.316 1.00 0.00 C ATOM 1908 C LYS A 126 -16.530 3.128 0.605 1.00 0.00 C ATOM 1909 O LYS A 126 -17.479 3.566 1.224 1.00 0.00 O ATOM 1910 CB LYS A 126 -15.313 3.096 2.810 1.00 0.00 C ATOM 1911 CG LYS A 126 -13.999 2.723 3.498 1.00 0.00 C ATOM 1912 CD LYS A 126 -14.277 1.713 4.611 1.00 0.00 C ATOM 1913 CE LYS A 126 -15.084 0.542 4.047 1.00 0.00 C ATOM 1914 NZ LYS A 126 -14.696 -0.627 4.884 1.00 0.00 N ATOM 0 H LYS A 126 -14.225 4.664 1.075 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.001 1.727 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -15.525 4.155 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.139 2.540 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.304 2.300 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -13.526 3.614 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -13.339 1.352 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -14.827 2.191 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -16.155 0.734 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -14.851 0.371 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -15.208 -1.472 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -13.672 -0.789 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.936 -0.437 5.878 1.00 0.00 H new ATOM 1928 N ILE A 127 -16.572 2.960 -0.701 1.00 0.00 N ATOM 1929 CA ILE A 127 -17.821 3.307 -1.480 1.00 0.00 C ATOM 1930 C ILE A 127 -19.095 3.107 -0.664 1.00 0.00 C ATOM 1931 O ILE A 127 -19.322 2.078 -0.065 1.00 0.00 O ATOM 1932 CB ILE A 127 -17.856 2.458 -2.736 1.00 0.00 C ATOM 1933 CG1 ILE A 127 -18.532 3.357 -3.707 1.00 0.00 C ATOM 1934 CG2 ILE A 127 -18.623 1.145 -2.541 1.00 0.00 C ATOM 1935 CD1 ILE A 127 -19.111 2.574 -4.883 1.00 0.00 C ATOM 0 H ILE A 127 -15.801 2.599 -1.263 1.00 0.00 H new ATOM 0 HA ILE A 127 -17.784 4.366 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 127 -16.867 2.131 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -19.330 3.904 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -17.821 4.097 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -18.616 0.578 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -18.147 0.559 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -19.652 1.364 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -19.598 3.262 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -18.309 2.048 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -19.840 1.852 -4.516 1.00 0.00 H new ATOM 1947 N ARG A 128 -19.935 4.099 -0.669 1.00 0.00 N ATOM 1948 CA ARG A 128 -21.227 4.011 0.061 1.00 0.00 C ATOM 1949 C ARG A 128 -22.141 5.186 -0.299 1.00 0.00 C ATOM 1950 O ARG A 128 -21.670 6.262 -0.607 1.00 0.00 O ATOM 1951 CB ARG A 128 -20.936 3.989 1.505 1.00 0.00 C ATOM 1952 CG ARG A 128 -22.047 3.127 2.044 1.00 0.00 C ATOM 1953 CD ARG A 128 -21.688 1.660 1.874 1.00 0.00 C ATOM 1954 NE ARG A 128 -21.745 1.078 3.243 1.00 0.00 N ATOM 1955 CZ ARG A 128 -22.565 0.095 3.498 1.00 0.00 C ATOM 1956 NH1 ARG A 128 -22.250 -1.124 3.151 1.00 0.00 N ATOM 1957 NH2 ARG A 128 -23.702 0.329 4.095 1.00 0.00 N ATOM 0 H ARG A 128 -19.779 4.982 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 128 -21.754 3.101 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.954 3.565 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -20.951 4.989 1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -22.215 3.350 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -22.977 3.347 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -22.388 1.159 1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.695 1.546 1.440 1.00 0.00 H new ATOM 0 HE ARG A 128 -21.144 1.447 3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.364 -1.308 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -22.890 -1.893 3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -23.951 1.281 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -24.342 -0.440 4.293 1.00 0.00 H new ATOM 1971 N ASP A 129 -23.440 4.997 -0.259 1.00 0.00 N ATOM 1972 CA ASP A 129 -24.379 6.105 -0.596 1.00 0.00 C ATOM 1973 C ASP A 129 -23.819 6.969 -1.732 1.00 0.00 C ATOM 1974 O ASP A 129 -23.505 6.415 -2.773 1.00 0.00 O ATOM 1975 CB ASP A 129 -24.511 6.920 0.693 1.00 0.00 C ATOM 1976 CG ASP A 129 -24.577 5.982 1.903 1.00 0.00 C ATOM 1977 OD1 ASP A 129 -25.123 4.901 1.761 1.00 0.00 O ATOM 1978 OD2 ASP A 129 -24.083 6.364 2.951 1.00 0.00 O ATOM 1979 OXT ASP A 129 -23.714 8.169 -1.540 1.00 0.00 O ATOM 0 H ASP A 129 -23.888 4.116 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 129 -25.342 5.731 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -23.663 7.597 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -25.408 7.538 0.652 1.00 0.00 H new TER 1984 ASP A 129