USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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 41 SER OG : rot -44:sc= 1.12 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 151:sc= -1.48 (180deg=-2.73!) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0167 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.12 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 0:sc= 0.284 USER MOD Single : A 19 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 21 THR OG1 : rot -93:sc= -1.35! USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -2.39! C(o=-2.4!,f=-2.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.71) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.015 -0.719 -6.063 1.00 0.00 N ATOM 2 CA GLY A 1 20.859 -1.021 -6.886 1.00 0.00 C ATOM 3 C GLY A 1 21.072 -2.242 -7.759 1.00 0.00 C ATOM 4 O GLY A 1 22.173 -2.473 -8.257 1.00 0.00 O ATOM 0 H1 GLY A 1 22.210 0.302 -6.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.824 -0.999 -5.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.840 -1.243 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.993 -1.183 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.632 -0.162 -7.517 1.00 0.00 H new ATOM 8 N SER A 2 20.015 -3.027 -7.943 1.00 0.00 N ATOM 9 CA SER A 2 20.093 -4.235 -8.756 1.00 0.00 C ATOM 10 C SER A 2 18.716 -4.870 -8.918 1.00 0.00 C ATOM 11 O SER A 2 18.045 -5.184 -7.934 1.00 0.00 O ATOM 12 CB SER A 2 21.060 -5.239 -8.126 1.00 0.00 C ATOM 13 OG SER A 2 21.650 -6.067 -9.113 1.00 0.00 O ATOM 0 H SER A 2 19.095 -2.848 -7.540 1.00 0.00 H new ATOM 0 HA SER A 2 20.464 -3.956 -9.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.839 -4.706 -7.581 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.528 -5.855 -7.401 1.00 0.00 H new ATOM 0 HG SER A 2 22.265 -6.699 -8.685 1.00 0.00 H new ATOM 19 N SER A 3 18.300 -5.057 -10.167 1.00 0.00 N ATOM 20 CA SER A 3 17.001 -5.652 -10.459 1.00 0.00 C ATOM 21 C SER A 3 16.905 -6.053 -11.928 1.00 0.00 C ATOM 22 O SER A 3 17.781 -5.730 -12.729 1.00 0.00 O ATOM 23 CB SER A 3 15.878 -4.672 -10.112 1.00 0.00 C ATOM 24 OG SER A 3 16.064 -3.430 -10.768 1.00 0.00 O ATOM 0 H SER A 3 18.844 -4.805 -10.992 1.00 0.00 H new ATOM 0 HA SER A 3 16.894 -6.548 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.917 -5.099 -10.400 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.847 -4.516 -9.034 1.00 0.00 H new ATOM 0 HG SER A 3 15.333 -2.822 -10.531 1.00 0.00 H new ATOM 30 N GLY A 4 15.833 -6.760 -12.273 1.00 0.00 N ATOM 31 CA GLY A 4 15.641 -7.194 -13.645 1.00 0.00 C ATOM 32 C GLY A 4 14.177 -7.258 -14.033 1.00 0.00 C ATOM 33 O GLY A 4 13.305 -7.378 -13.174 1.00 0.00 O ATOM 0 H GLY A 4 15.094 -7.040 -11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.162 -6.510 -14.315 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.092 -8.177 -13.778 1.00 0.00 H new ATOM 37 N SER A 5 13.908 -7.175 -15.332 1.00 0.00 N ATOM 38 CA SER A 5 12.538 -7.219 -15.833 1.00 0.00 C ATOM 39 C SER A 5 12.472 -7.951 -17.169 1.00 0.00 C ATOM 40 O SER A 5 13.218 -7.640 -18.098 1.00 0.00 O ATOM 41 CB SER A 5 11.984 -5.801 -15.986 1.00 0.00 C ATOM 42 OG SER A 5 12.810 -5.020 -16.832 1.00 0.00 O ATOM 0 H SER A 5 14.619 -7.077 -16.056 1.00 0.00 H new ATOM 0 HA SER A 5 11.929 -7.763 -15.111 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.975 -5.844 -16.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.910 -5.328 -15.007 1.00 0.00 H new ATOM 0 HG SER A 5 13.165 -5.582 -17.552 1.00 0.00 H new ATOM 48 N SER A 6 11.572 -8.926 -17.259 1.00 0.00 N ATOM 49 CA SER A 6 11.410 -9.706 -18.480 1.00 0.00 C ATOM 50 C SER A 6 9.974 -9.625 -18.989 1.00 0.00 C ATOM 51 O SER A 6 9.732 -9.285 -20.147 1.00 0.00 O ATOM 52 CB SER A 6 11.793 -11.166 -18.232 1.00 0.00 C ATOM 53 OG SER A 6 13.200 -11.334 -18.248 1.00 0.00 O ATOM 0 H SER A 6 10.944 -9.194 -16.501 1.00 0.00 H new ATOM 0 HA SER A 6 12.071 -9.288 -19.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.396 -11.491 -17.270 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.339 -11.799 -18.995 1.00 0.00 H new ATOM 0 HG SER A 6 13.419 -12.275 -18.085 1.00 0.00 H new ATOM 59 N GLY A 7 9.023 -9.939 -18.114 1.00 0.00 N ATOM 60 CA GLY A 7 7.623 -9.896 -18.493 1.00 0.00 C ATOM 61 C GLY A 7 6.753 -10.750 -17.593 1.00 0.00 C ATOM 62 O GLY A 7 6.817 -11.979 -17.640 1.00 0.00 O ATOM 0 H GLY A 7 9.197 -10.222 -17.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.272 -8.864 -18.460 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.518 -10.236 -19.523 1.00 0.00 H new ATOM 66 N ASP A 8 5.938 -10.100 -16.770 1.00 0.00 N ATOM 67 CA ASP A 8 5.051 -10.808 -15.854 1.00 0.00 C ATOM 68 C ASP A 8 3.748 -10.039 -15.655 1.00 0.00 C ATOM 69 O ASP A 8 3.750 -8.813 -15.549 1.00 0.00 O ATOM 70 CB ASP A 8 5.741 -11.024 -14.506 1.00 0.00 C ATOM 71 CG ASP A 8 6.795 -12.112 -14.563 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.858 -11.878 -15.177 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.558 -13.198 -13.994 1.00 0.00 O ATOM 0 H ASP A 8 5.873 -9.083 -16.718 1.00 0.00 H new ATOM 0 HA ASP A 8 4.816 -11.778 -16.293 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.203 -10.091 -14.184 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.994 -11.285 -13.756 1.00 0.00 H new ATOM 78 N SER A 9 2.638 -10.768 -15.606 1.00 0.00 N ATOM 79 CA SER A 9 1.328 -10.154 -15.424 1.00 0.00 C ATOM 80 C SER A 9 1.252 -9.419 -14.090 1.00 0.00 C ATOM 81 O SER A 9 1.973 -9.747 -13.147 1.00 0.00 O ATOM 82 CB SER A 9 0.229 -11.216 -15.497 1.00 0.00 C ATOM 83 OG SER A 9 0.103 -11.730 -16.812 1.00 0.00 O ATOM 0 H SER A 9 2.620 -11.784 -15.690 1.00 0.00 H new ATOM 0 HA SER A 9 1.179 -9.431 -16.226 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.457 -12.028 -14.806 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.720 -10.784 -15.179 1.00 0.00 H new ATOM 0 HG SER A 9 -0.604 -12.408 -16.832 1.00 0.00 H new ATOM 89 N ILE A 10 0.375 -8.423 -14.019 1.00 0.00 N ATOM 90 CA ILE A 10 0.204 -7.642 -12.800 1.00 0.00 C ATOM 91 C ILE A 10 -1.044 -8.076 -12.039 1.00 0.00 C ATOM 92 O ILE A 10 -2.058 -8.430 -12.640 1.00 0.00 O ATOM 93 CB ILE A 10 0.107 -6.136 -13.106 1.00 0.00 C ATOM 94 CG1 ILE A 10 1.384 -5.650 -13.795 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.143 -5.351 -11.827 1.00 0.00 C ATOM 96 CD1 ILE A 10 1.173 -4.437 -14.673 1.00 0.00 C ATOM 0 H ILE A 10 -0.228 -8.138 -14.791 1.00 0.00 H new ATOM 0 HA ILE A 10 1.084 -7.824 -12.183 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.733 -5.971 -13.781 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.129 -5.413 -13.036 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.791 -6.460 -14.400 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.209 -4.288 -12.059 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.077 -5.682 -11.374 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.678 -5.520 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.120 -4.149 -15.129 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.452 -4.675 -15.455 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.795 -3.612 -14.069 1.00 0.00 H new ATOM 108 N VAL A 11 -0.962 -8.045 -10.713 1.00 0.00 N ATOM 109 CA VAL A 11 -2.086 -8.433 -9.868 1.00 0.00 C ATOM 110 C VAL A 11 -2.567 -7.260 -9.021 1.00 0.00 C ATOM 111 O VAL A 11 -1.768 -6.441 -8.566 1.00 0.00 O ATOM 112 CB VAL A 11 -1.713 -9.604 -8.940 1.00 0.00 C ATOM 113 CG1 VAL A 11 -0.767 -9.137 -7.845 1.00 0.00 C ATOM 114 CG2 VAL A 11 -2.965 -10.229 -8.343 1.00 0.00 C ATOM 0 H VAL A 11 -0.129 -7.755 -10.200 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.889 -8.749 -10.534 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.200 -10.364 -9.530 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.515 -9.978 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.143 -8.739 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.250 -8.358 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.683 -11.055 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.507 -9.479 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.603 -10.602 -9.144 1.00 0.00 H new ATOM 124 N SER A 12 -3.877 -7.186 -8.813 1.00 0.00 N ATOM 125 CA SER A 12 -4.466 -6.111 -8.022 1.00 0.00 C ATOM 126 C SER A 12 -5.203 -6.670 -6.809 1.00 0.00 C ATOM 127 O SER A 12 -5.814 -7.736 -6.877 1.00 0.00 O ATOM 128 CB SER A 12 -5.426 -5.285 -8.880 1.00 0.00 C ATOM 129 OG SER A 12 -5.515 -3.952 -8.407 1.00 0.00 O ATOM 0 H SER A 12 -4.551 -7.857 -9.181 1.00 0.00 H new ATOM 0 HA SER A 12 -3.659 -5.468 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.085 -5.285 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.414 -5.744 -8.870 1.00 0.00 H new ATOM 0 HG SER A 12 -4.933 -3.843 -7.626 1.00 0.00 H new ATOM 135 N ALA A 13 -5.140 -5.941 -5.699 1.00 0.00 N ATOM 136 CA ALA A 13 -5.802 -6.362 -4.471 1.00 0.00 C ATOM 137 C ALA A 13 -6.976 -5.447 -4.139 1.00 0.00 C ATOM 138 O ALA A 13 -7.053 -4.320 -4.626 1.00 0.00 O ATOM 139 CB ALA A 13 -4.809 -6.389 -3.318 1.00 0.00 C ATOM 0 H ALA A 13 -4.637 -5.057 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.191 -7.369 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.318 -6.705 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.005 -7.089 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.392 -5.392 -3.173 1.00 0.00 H new ATOM 145 N GLU A 14 -7.889 -5.941 -3.308 1.00 0.00 N ATOM 146 CA GLU A 14 -9.060 -5.167 -2.913 1.00 0.00 C ATOM 147 C GLU A 14 -9.065 -4.916 -1.408 1.00 0.00 C ATOM 148 O GLU A 14 -8.989 -5.852 -0.612 1.00 0.00 O ATOM 149 CB GLU A 14 -10.342 -5.894 -3.324 1.00 0.00 C ATOM 150 CG GLU A 14 -11.579 -5.013 -3.289 1.00 0.00 C ATOM 151 CD GLU A 14 -12.698 -5.543 -4.165 1.00 0.00 C ATOM 152 OE1 GLU A 14 -12.929 -6.770 -4.153 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.342 -4.731 -4.861 1.00 0.00 O ATOM 0 H GLU A 14 -7.840 -6.873 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.016 -4.205 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.217 -6.291 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.494 -6.746 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.934 -4.932 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.313 -4.007 -3.614 1.00 0.00 H new ATOM 160 N ALA A 15 -9.153 -3.647 -1.025 1.00 0.00 N ATOM 161 CA ALA A 15 -9.169 -3.273 0.384 1.00 0.00 C ATOM 162 C ALA A 15 -10.484 -3.675 1.043 1.00 0.00 C ATOM 163 O ALA A 15 -11.500 -2.998 0.888 1.00 0.00 O ATOM 164 CB ALA A 15 -8.936 -1.777 0.535 1.00 0.00 C ATOM 0 H ALA A 15 -9.214 -2.860 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.363 -3.808 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.950 -1.511 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.968 -1.515 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.722 -1.232 0.013 1.00 0.00 H new ATOM 170 N VAL A 16 -10.457 -4.781 1.780 1.00 0.00 N ATOM 171 CA VAL A 16 -11.647 -5.273 2.464 1.00 0.00 C ATOM 172 C VAL A 16 -11.796 -4.630 3.838 1.00 0.00 C ATOM 173 O VAL A 16 -12.909 -4.461 4.338 1.00 0.00 O ATOM 174 CB VAL A 16 -11.608 -6.804 2.627 1.00 0.00 C ATOM 175 CG1 VAL A 16 -11.897 -7.490 1.300 1.00 0.00 C ATOM 176 CG2 VAL A 16 -10.263 -7.246 3.184 1.00 0.00 C ATOM 0 H VAL A 16 -9.624 -5.353 1.919 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.503 -5.003 1.845 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.383 -7.097 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.865 -8.571 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.886 -7.197 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.147 -7.194 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.253 -8.331 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.469 -6.942 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.102 -6.782 4.157 1.00 0.00 H new ATOM 186 N TRP A 17 -10.669 -4.274 4.444 1.00 0.00 N ATOM 187 CA TRP A 17 -10.675 -3.648 5.761 1.00 0.00 C ATOM 188 C TRP A 17 -9.951 -2.306 5.730 1.00 0.00 C ATOM 189 O TRP A 17 -8.750 -2.244 5.467 1.00 0.00 O ATOM 190 CB TRP A 17 -10.018 -4.571 6.789 1.00 0.00 C ATOM 191 CG TRP A 17 -10.881 -5.733 7.180 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.442 -6.656 6.343 1.00 0.00 C ATOM 193 CD2 TRP A 17 -11.282 -6.095 8.506 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.167 -7.569 7.069 1.00 0.00 N ATOM 195 CE2 TRP A 17 -12.084 -7.248 8.398 1.00 0.00 C ATOM 196 CE3 TRP A 17 -11.039 -5.560 9.774 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.645 -7.871 9.510 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.597 -6.179 10.876 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.391 -7.325 10.739 1.00 0.00 C ATOM 0 H TRP A 17 -9.740 -4.408 4.045 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.712 -3.474 6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.079 -4.946 6.383 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.772 -3.994 7.680 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.332 -6.666 5.269 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.684 -8.358 6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.426 -4.678 9.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.259 -8.754 9.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -11.418 -5.772 11.860 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -12.811 -7.787 11.620 1.00 0.00 H new ATOM 210 N ASP A 18 -10.689 -1.235 5.999 1.00 0.00 N ATOM 211 CA ASP A 18 -10.117 0.106 6.003 1.00 0.00 C ATOM 212 C ASP A 18 -8.840 0.150 6.837 1.00 0.00 C ATOM 213 O ASP A 18 -8.868 -0.082 8.047 1.00 0.00 O ATOM 214 CB ASP A 18 -11.131 1.115 6.546 1.00 0.00 C ATOM 215 CG ASP A 18 -11.409 0.919 8.023 1.00 0.00 C ATOM 216 OD1 ASP A 18 -11.226 -0.214 8.515 1.00 0.00 O ATOM 217 OD2 ASP A 18 -11.810 1.898 8.687 1.00 0.00 O ATOM 0 H ASP A 18 -11.685 -1.269 6.217 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.868 0.371 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.758 2.126 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.063 1.024 5.989 1.00 0.00 H new ATOM 222 N HIS A 19 -7.722 0.448 6.184 1.00 0.00 N ATOM 223 CA HIS A 19 -6.435 0.522 6.865 1.00 0.00 C ATOM 224 C HIS A 19 -6.036 1.973 7.119 1.00 0.00 C ATOM 225 O HIS A 19 -5.205 2.533 6.404 1.00 0.00 O ATOM 226 CB HIS A 19 -5.355 -0.178 6.039 1.00 0.00 C ATOM 227 CG HIS A 19 -4.031 -0.263 6.732 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.864 0.235 6.190 1.00 0.00 N ATOM 229 CD2 HIS A 19 -3.691 -0.790 7.932 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.865 0.016 7.026 1.00 0.00 C ATOM 231 NE2 HIS A 19 -2.340 -0.604 8.091 1.00 0.00 N ATOM 0 H HIS A 19 -7.681 0.642 5.184 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.532 0.017 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.693 -1.185 5.794 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.229 0.354 5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.359 -1.268 8.634 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.834 0.296 6.866 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.792 -0.897 8.900 1.00 0.00 H new ATOM 240 N VAL A 20 -6.636 2.576 8.140 1.00 0.00 N ATOM 241 CA VAL A 20 -6.344 3.961 8.489 1.00 0.00 C ATOM 242 C VAL A 20 -5.011 4.075 9.221 1.00 0.00 C ATOM 243 O VAL A 20 -4.552 3.121 9.850 1.00 0.00 O ATOM 244 CB VAL A 20 -7.454 4.565 9.369 1.00 0.00 C ATOM 245 CG1 VAL A 20 -8.775 4.597 8.616 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.589 3.781 10.667 1.00 0.00 C ATOM 0 H VAL A 20 -7.328 2.127 8.740 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.290 4.518 7.553 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.180 5.591 9.617 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.547 5.027 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.667 5.204 7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.059 3.583 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.378 4.221 11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.840 2.745 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.646 3.815 11.213 1.00 0.00 H new ATOM 256 N THR A 21 -4.393 5.249 9.135 1.00 0.00 N ATOM 257 CA THR A 21 -3.113 5.487 9.788 1.00 0.00 C ATOM 258 C THR A 21 -2.858 6.979 9.969 1.00 0.00 C ATOM 259 O THR A 21 -3.427 7.807 9.258 1.00 0.00 O ATOM 260 CB THR A 21 -1.949 4.873 8.987 1.00 0.00 C ATOM 261 OG1 THR A 21 -0.701 5.198 9.608 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.954 5.379 7.552 1.00 0.00 C ATOM 0 H THR A 21 -4.759 6.049 8.619 1.00 0.00 H new ATOM 0 HA THR A 21 -3.164 5.007 10.766 1.00 0.00 H new ATOM 0 HB THR A 21 -2.077 3.791 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.339 6.015 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.123 4.932 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.893 5.104 7.073 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.849 6.464 7.548 1.00 0.00 H new ATOM 270 N MET A 22 -1.999 7.316 10.926 1.00 0.00 N ATOM 271 CA MET A 22 -1.667 8.710 11.198 1.00 0.00 C ATOM 272 C MET A 22 -0.473 9.159 10.362 1.00 0.00 C ATOM 273 O MET A 22 -0.477 10.250 9.793 1.00 0.00 O ATOM 274 CB MET A 22 -1.365 8.903 12.686 1.00 0.00 C ATOM 275 CG MET A 22 -1.060 10.344 13.062 1.00 0.00 C ATOM 276 SD MET A 22 -0.894 10.577 14.842 1.00 0.00 S ATOM 277 CE MET A 22 -1.851 12.072 15.079 1.00 0.00 C ATOM 0 H MET A 22 -1.521 6.644 11.525 1.00 0.00 H new ATOM 0 HA MET A 22 -2.527 9.322 10.926 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.218 8.557 13.269 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.516 8.277 12.960 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.138 10.656 12.571 1.00 0.00 H new ATOM 0 HG3 MET A 22 -1.855 10.989 12.688 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.843 12.346 16.134 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.415 12.880 14.491 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.878 11.902 14.756 1.00 0.00 H new ATOM 287 N ALA A 23 0.548 8.310 10.293 1.00 0.00 N ATOM 288 CA ALA A 23 1.747 8.619 9.525 1.00 0.00 C ATOM 289 C ALA A 23 1.440 8.695 8.034 1.00 0.00 C ATOM 290 O ALA A 23 0.297 8.514 7.616 1.00 0.00 O ATOM 291 CB ALA A 23 2.826 7.580 9.791 1.00 0.00 C ATOM 0 H ALA A 23 0.568 7.403 10.760 1.00 0.00 H new ATOM 0 HA ALA A 23 2.111 9.596 9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.716 7.823 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.074 7.577 10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.462 6.595 9.501 1.00 0.00 H new ATOM 297 N ASN A 24 2.468 8.966 7.236 1.00 0.00 N ATOM 298 CA ASN A 24 2.306 9.068 5.790 1.00 0.00 C ATOM 299 C ASN A 24 3.009 7.913 5.081 1.00 0.00 C ATOM 300 O ASN A 24 2.479 7.341 4.129 1.00 0.00 O ATOM 301 CB ASN A 24 2.860 10.402 5.287 1.00 0.00 C ATOM 302 CG ASN A 24 2.010 11.581 5.721 1.00 0.00 C ATOM 303 OD1 ASN A 24 0.833 11.426 6.046 1.00 0.00 O ATOM 304 ND2 ASN A 24 2.605 12.768 5.728 1.00 0.00 N ATOM 0 H ASN A 24 3.421 9.119 7.566 1.00 0.00 H new ATOM 0 HA ASN A 24 1.241 9.016 5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.876 10.534 5.659 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.919 10.381 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.084 13.598 6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.583 12.850 5.451 1.00 0.00 H new ATOM 311 N ARG A 25 4.205 7.577 5.554 1.00 0.00 N ATOM 312 CA ARG A 25 4.981 6.492 4.966 1.00 0.00 C ATOM 313 C ARG A 25 4.067 5.366 4.489 1.00 0.00 C ATOM 314 O ARG A 25 4.025 5.050 3.301 1.00 0.00 O ATOM 315 CB ARG A 25 5.989 5.949 5.980 1.00 0.00 C ATOM 316 CG ARG A 25 6.978 6.993 6.473 1.00 0.00 C ATOM 317 CD ARG A 25 8.141 7.159 5.508 1.00 0.00 C ATOM 318 NE ARG A 25 8.898 8.381 5.767 1.00 0.00 N ATOM 319 CZ ARG A 25 9.844 8.844 4.959 1.00 0.00 C ATOM 320 NH1 ARG A 25 10.148 8.192 3.845 1.00 0.00 N ATOM 321 NH2 ARG A 25 10.489 9.964 5.263 1.00 0.00 N ATOM 0 H ARG A 25 4.657 8.040 6.342 1.00 0.00 H new ATOM 0 HA ARG A 25 5.520 6.889 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.449 5.541 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.539 5.124 5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.468 7.948 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.356 6.703 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.804 6.298 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.764 7.176 4.485 1.00 0.00 H new ATOM 0 HE ARG A 25 8.688 8.907 6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.654 7.332 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.875 8.551 3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.258 10.470 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.216 10.319 4.641 1.00 0.00 H new ATOM 335 N GLU A 26 3.339 4.766 5.425 1.00 0.00 N ATOM 336 CA GLU A 26 2.428 3.675 5.100 1.00 0.00 C ATOM 337 C GLU A 26 1.349 4.139 4.125 1.00 0.00 C ATOM 338 O GLU A 26 0.963 5.309 4.119 1.00 0.00 O ATOM 339 CB GLU A 26 1.778 3.127 6.372 1.00 0.00 C ATOM 340 CG GLU A 26 0.736 4.055 6.972 1.00 0.00 C ATOM 341 CD GLU A 26 1.329 5.033 7.968 1.00 0.00 C ATOM 342 OE1 GLU A 26 2.236 4.630 8.726 1.00 0.00 O ATOM 343 OE2 GLU A 26 0.887 6.200 7.989 1.00 0.00 O ATOM 0 H GLU A 26 3.362 5.017 6.413 1.00 0.00 H new ATOM 0 HA GLU A 26 3.007 2.883 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.311 2.168 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.554 2.938 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.245 4.610 6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.033 3.461 7.466 1.00 0.00 H new ATOM 350 N LEU A 27 0.867 3.215 3.302 1.00 0.00 N ATOM 351 CA LEU A 27 -0.167 3.528 2.321 1.00 0.00 C ATOM 352 C LEU A 27 -1.547 3.538 2.970 1.00 0.00 C ATOM 353 O LEU A 27 -2.122 2.485 3.245 1.00 0.00 O ATOM 354 CB LEU A 27 -0.136 2.514 1.177 1.00 0.00 C ATOM 355 CG LEU A 27 -0.587 3.030 -0.190 1.00 0.00 C ATOM 356 CD1 LEU A 27 0.084 2.244 -1.306 1.00 0.00 C ATOM 357 CD2 LEU A 27 -2.101 2.952 -0.317 1.00 0.00 C ATOM 0 H LEU A 27 1.175 2.243 3.294 1.00 0.00 H new ATOM 0 HA LEU A 27 0.034 4.522 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.881 2.134 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.767 1.669 1.450 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.288 4.074 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.249 2.626 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.166 2.352 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.183 1.191 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.404 3.323 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.423 1.916 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.563 3.560 0.460 1.00 0.00 H new ATOM 369 N ALA A 28 -2.074 4.734 3.209 1.00 0.00 N ATOM 370 CA ALA A 28 -3.389 4.881 3.821 1.00 0.00 C ATOM 371 C ALA A 28 -4.494 4.810 2.773 1.00 0.00 C ATOM 372 O ALA A 28 -4.402 5.435 1.716 1.00 0.00 O ATOM 373 CB ALA A 28 -3.471 6.193 4.588 1.00 0.00 C ATOM 0 H ALA A 28 -1.611 5.615 2.988 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.532 4.055 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.458 6.289 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.712 6.205 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.302 7.025 3.905 1.00 0.00 H new ATOM 379 N PHE A 29 -5.538 4.044 3.071 1.00 0.00 N ATOM 380 CA PHE A 29 -6.660 3.890 2.153 1.00 0.00 C ATOM 381 C PHE A 29 -7.895 3.371 2.885 1.00 0.00 C ATOM 382 O PHE A 29 -7.789 2.755 3.945 1.00 0.00 O ATOM 383 CB PHE A 29 -6.289 2.935 1.016 1.00 0.00 C ATOM 384 CG PHE A 29 -5.792 1.601 1.492 1.00 0.00 C ATOM 385 CD1 PHE A 29 -4.449 1.406 1.772 1.00 0.00 C ATOM 386 CD2 PHE A 29 -6.667 0.540 1.660 1.00 0.00 C ATOM 387 CE1 PHE A 29 -3.988 0.179 2.211 1.00 0.00 C ATOM 388 CE2 PHE A 29 -6.212 -0.689 2.099 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.871 -0.870 2.373 1.00 0.00 C ATOM 0 H PHE A 29 -5.630 3.520 3.941 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.892 4.870 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.162 2.783 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.521 3.400 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.754 2.223 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.717 0.675 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.939 0.041 2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.905 -1.507 2.228 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.513 -1.830 2.713 1.00 0.00 H new ATOM 399 N LYS A 30 -9.066 3.626 2.311 1.00 0.00 N ATOM 400 CA LYS A 30 -10.322 3.185 2.906 1.00 0.00 C ATOM 401 C LYS A 30 -10.861 1.952 2.189 1.00 0.00 C ATOM 402 O LYS A 30 -10.654 1.781 0.988 1.00 0.00 O ATOM 403 CB LYS A 30 -11.357 4.311 2.855 1.00 0.00 C ATOM 404 CG LYS A 30 -11.033 5.478 3.771 1.00 0.00 C ATOM 405 CD LYS A 30 -10.055 6.443 3.122 1.00 0.00 C ATOM 406 CE LYS A 30 -9.349 7.303 4.158 1.00 0.00 C ATOM 407 NZ LYS A 30 -8.281 8.143 3.548 1.00 0.00 N ATOM 0 H LYS A 30 -9.171 4.136 1.434 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.130 2.923 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.435 4.675 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.333 3.908 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.951 6.007 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.611 5.103 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.316 5.883 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.587 7.083 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.077 7.945 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.914 6.663 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.824 8.714 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.573 7.530 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.700 8.772 2.834 1.00 0.00 H new ATOM 421 N ALA A 31 -11.554 1.096 2.932 1.00 0.00 N ATOM 422 CA ALA A 31 -12.126 -0.119 2.366 1.00 0.00 C ATOM 423 C ALA A 31 -12.750 0.152 1.002 1.00 0.00 C ATOM 424 O ALA A 31 -13.680 0.948 0.881 1.00 0.00 O ATOM 425 CB ALA A 31 -13.160 -0.708 3.315 1.00 0.00 C ATOM 0 H ALA A 31 -11.733 1.222 3.928 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.321 -0.841 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.579 -1.615 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.686 -0.948 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.957 0.017 3.480 1.00 0.00 H new ATOM 431 N GLY A 32 -12.232 -0.516 -0.025 1.00 0.00 N ATOM 432 CA GLY A 32 -12.751 -0.333 -1.367 1.00 0.00 C ATOM 433 C GLY A 32 -11.683 0.112 -2.346 1.00 0.00 C ATOM 434 O GLY A 32 -11.689 -0.292 -3.509 1.00 0.00 O ATOM 0 H GLY A 32 -11.462 -1.181 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.190 -1.268 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.551 0.407 -1.346 1.00 0.00 H new ATOM 438 N ASP A 33 -10.763 0.948 -1.876 1.00 0.00 N ATOM 439 CA ASP A 33 -9.684 1.450 -2.719 1.00 0.00 C ATOM 440 C ASP A 33 -8.906 0.298 -3.348 1.00 0.00 C ATOM 441 O ASP A 33 -8.554 -0.670 -2.673 1.00 0.00 O ATOM 442 CB ASP A 33 -8.739 2.333 -1.902 1.00 0.00 C ATOM 443 CG ASP A 33 -9.160 3.789 -1.906 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.380 4.055 -1.920 1.00 0.00 O ATOM 445 OD2 ASP A 33 -8.268 4.664 -1.894 1.00 0.00 O ATOM 0 H ASP A 33 -10.743 1.292 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.126 2.046 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.705 1.970 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.729 2.249 -2.304 1.00 0.00 H new ATOM 450 N VAL A 34 -8.642 0.408 -4.646 1.00 0.00 N ATOM 451 CA VAL A 34 -7.907 -0.623 -5.367 1.00 0.00 C ATOM 452 C VAL A 34 -6.414 -0.315 -5.398 1.00 0.00 C ATOM 453 O VAL A 34 -6.001 0.755 -5.848 1.00 0.00 O ATOM 454 CB VAL A 34 -8.419 -0.772 -6.812 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.631 -1.842 -7.551 1.00 0.00 C ATOM 456 CG2 VAL A 34 -9.906 -1.092 -6.820 1.00 0.00 C ATOM 0 H VAL A 34 -8.927 1.202 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.071 -1.559 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.272 0.176 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.007 -1.933 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.577 -1.565 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.743 -2.797 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.251 -1.194 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.080 -2.026 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.454 -0.286 -6.332 1.00 0.00 H new ATOM 466 N ILE A 35 -5.611 -1.257 -4.917 1.00 0.00 N ATOM 467 CA ILE A 35 -4.163 -1.086 -4.891 1.00 0.00 C ATOM 468 C ILE A 35 -3.489 -1.942 -5.959 1.00 0.00 C ATOM 469 O ILE A 35 -3.734 -3.145 -6.052 1.00 0.00 O ATOM 470 CB ILE A 35 -3.578 -1.449 -3.514 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.250 -0.621 -2.416 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.073 -1.230 -3.503 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.311 -1.326 -1.079 1.00 0.00 C ATOM 0 H ILE A 35 -5.938 -2.147 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.966 -0.033 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.773 -2.504 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.709 0.318 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.262 -0.368 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.674 -1.491 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.608 -1.858 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.856 -0.183 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.800 -0.680 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.877 -2.252 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.300 -1.555 -0.742 1.00 0.00 H new ATOM 485 N LYS A 36 -2.638 -1.313 -6.762 1.00 0.00 N ATOM 486 CA LYS A 36 -1.925 -2.016 -7.822 1.00 0.00 C ATOM 487 C LYS A 36 -0.583 -2.539 -7.320 1.00 0.00 C ATOM 488 O LYS A 36 0.369 -1.776 -7.152 1.00 0.00 O ATOM 489 CB LYS A 36 -1.707 -1.089 -9.020 1.00 0.00 C ATOM 490 CG LYS A 36 -1.345 -1.824 -10.300 1.00 0.00 C ATOM 491 CD LYS A 36 -2.580 -2.360 -11.004 1.00 0.00 C ATOM 492 CE LYS A 36 -2.352 -2.499 -12.501 1.00 0.00 C ATOM 493 NZ LYS A 36 -3.607 -2.847 -13.223 1.00 0.00 N ATOM 0 H LYS A 36 -2.425 -0.317 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.533 -2.865 -8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.614 -0.508 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.914 -0.381 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.808 -1.150 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.670 -2.648 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.847 -3.330 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.422 -1.691 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.953 -1.565 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.602 -3.269 -12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.410 -2.933 -14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.975 -3.751 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.314 -2.100 -13.069 1.00 0.00 H new ATOM 507 N VAL A 37 -0.513 -3.846 -7.084 1.00 0.00 N ATOM 508 CA VAL A 37 0.714 -4.471 -6.605 1.00 0.00 C ATOM 509 C VAL A 37 1.823 -4.378 -7.647 1.00 0.00 C ATOM 510 O VAL A 37 1.712 -4.937 -8.739 1.00 0.00 O ATOM 511 CB VAL A 37 0.486 -5.951 -6.245 1.00 0.00 C ATOM 512 CG1 VAL A 37 1.747 -6.556 -5.647 1.00 0.00 C ATOM 513 CG2 VAL A 37 -0.689 -6.092 -5.289 1.00 0.00 C ATOM 0 H VAL A 37 -1.291 -4.492 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 37 1.016 -3.928 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 37 0.249 -6.497 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.566 -7.602 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.560 -6.490 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.019 -6.011 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.836 -7.144 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.484 -5.533 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.590 -5.700 -5.760 1.00 0.00 H new ATOM 523 N LEU A 38 2.891 -3.668 -7.304 1.00 0.00 N ATOM 524 CA LEU A 38 4.023 -3.501 -8.209 1.00 0.00 C ATOM 525 C LEU A 38 5.049 -4.611 -8.010 1.00 0.00 C ATOM 526 O LEU A 38 5.374 -5.345 -8.943 1.00 0.00 O ATOM 527 CB LEU A 38 4.681 -2.137 -7.990 1.00 0.00 C ATOM 528 CG LEU A 38 3.747 -0.927 -8.033 1.00 0.00 C ATOM 529 CD1 LEU A 38 4.539 0.363 -7.883 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.948 -0.916 -9.328 1.00 0.00 C ATOM 0 H LEU A 38 2.998 -3.198 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 38 3.649 -3.557 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.183 -2.149 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.453 -2.002 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 38 3.049 -1.001 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.858 1.214 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.067 0.357 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.260 0.444 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.289 -0.048 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.631 -0.866 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.351 -1.826 -9.395 1.00 0.00 H new ATOM 542 N ASP A 39 5.553 -4.730 -6.787 1.00 0.00 N ATOM 543 CA ASP A 39 6.540 -5.754 -6.463 1.00 0.00 C ATOM 544 C ASP A 39 6.087 -6.588 -5.268 1.00 0.00 C ATOM 545 O ASP A 39 6.153 -6.138 -4.125 1.00 0.00 O ATOM 546 CB ASP A 39 7.896 -5.110 -6.167 1.00 0.00 C ATOM 547 CG ASP A 39 8.884 -6.091 -5.567 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.704 -7.312 -5.765 1.00 0.00 O ATOM 549 OD2 ASP A 39 9.838 -5.639 -4.900 1.00 0.00 O ATOM 0 H ASP A 39 5.295 -4.130 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 39 6.640 -6.413 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.309 -4.700 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.756 -4.274 -5.481 1.00 0.00 H new ATOM 554 N ALA A 40 5.626 -7.804 -5.543 1.00 0.00 N ATOM 555 CA ALA A 40 5.163 -8.700 -4.491 1.00 0.00 C ATOM 556 C ALA A 40 6.223 -9.742 -4.151 1.00 0.00 C ATOM 557 O ALA A 40 6.512 -9.989 -2.981 1.00 0.00 O ATOM 558 CB ALA A 40 3.867 -9.379 -4.909 1.00 0.00 C ATOM 0 H ALA A 40 5.563 -8.191 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 40 4.977 -8.105 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.533 -10.045 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.104 -8.623 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.035 -9.955 -5.819 1.00 0.00 H new ATOM 564 N SER A 41 6.798 -10.352 -5.183 1.00 0.00 N ATOM 565 CA SER A 41 7.823 -11.371 -4.993 1.00 0.00 C ATOM 566 C SER A 41 7.479 -12.275 -3.814 1.00 0.00 C ATOM 567 O SER A 41 8.340 -12.610 -3.002 1.00 0.00 O ATOM 568 CB SER A 41 9.188 -10.717 -4.767 1.00 0.00 C ATOM 569 OG SER A 41 10.180 -11.690 -4.489 1.00 0.00 O ATOM 0 H SER A 41 6.571 -10.158 -6.158 1.00 0.00 H new ATOM 0 HA SER A 41 7.865 -11.980 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.472 -10.146 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.124 -10.011 -3.939 1.00 0.00 H new ATOM 0 HG SER A 41 9.827 -12.344 -3.851 1.00 0.00 H new ATOM 575 N ASN A 42 6.212 -12.667 -3.727 1.00 0.00 N ATOM 576 CA ASN A 42 5.751 -13.532 -2.646 1.00 0.00 C ATOM 577 C ASN A 42 6.394 -13.135 -1.321 1.00 0.00 C ATOM 578 O ASN A 42 6.912 -13.981 -0.591 1.00 0.00 O ATOM 579 CB ASN A 42 6.072 -14.994 -2.964 1.00 0.00 C ATOM 580 CG ASN A 42 5.854 -15.329 -4.427 1.00 0.00 C ATOM 581 OD1 ASN A 42 6.808 -15.511 -5.183 1.00 0.00 O ATOM 582 ND2 ASN A 42 4.592 -15.412 -4.833 1.00 0.00 N ATOM 0 H ASN A 42 5.486 -12.400 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 42 4.671 -13.415 -2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.108 -15.202 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.448 -15.642 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.383 -15.634 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.832 -15.253 -4.171 1.00 0.00 H new ATOM 589 N LYS A 43 6.356 -11.843 -1.014 1.00 0.00 N ATOM 590 CA LYS A 43 6.932 -11.333 0.224 1.00 0.00 C ATOM 591 C LYS A 43 5.850 -11.111 1.277 1.00 0.00 C ATOM 592 O LYS A 43 4.658 -11.147 0.972 1.00 0.00 O ATOM 593 CB LYS A 43 7.678 -10.023 -0.039 1.00 0.00 C ATOM 594 CG LYS A 43 8.847 -9.789 0.903 1.00 0.00 C ATOM 595 CD LYS A 43 9.689 -8.603 0.464 1.00 0.00 C ATOM 596 CE LYS A 43 10.776 -9.022 -0.514 1.00 0.00 C ATOM 597 NZ LYS A 43 10.223 -9.321 -1.864 1.00 0.00 N ATOM 0 H LYS A 43 5.932 -11.129 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 43 7.635 -12.076 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.044 -10.023 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.978 -9.192 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.473 -9.617 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.469 -10.683 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.049 -7.853 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.144 -8.136 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.519 -8.228 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.291 -9.902 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.944 -9.122 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.951 -10.324 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.387 -8.727 -2.036 1.00 0.00 H new ATOM 611 N ASP A 44 6.274 -10.882 2.514 1.00 0.00 N ATOM 612 CA ASP A 44 5.342 -10.652 3.612 1.00 0.00 C ATOM 613 C ASP A 44 4.548 -9.368 3.391 1.00 0.00 C ATOM 614 O ASP A 44 3.384 -9.271 3.780 1.00 0.00 O ATOM 615 CB ASP A 44 6.093 -10.579 4.942 1.00 0.00 C ATOM 616 CG ASP A 44 7.119 -11.687 5.088 1.00 0.00 C ATOM 617 OD1 ASP A 44 6.711 -12.858 5.231 1.00 0.00 O ATOM 618 OD2 ASP A 44 8.329 -11.381 5.059 1.00 0.00 O ATOM 0 H ASP A 44 7.258 -10.851 2.782 1.00 0.00 H new ATOM 0 HA ASP A 44 4.644 -11.489 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.591 -9.613 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.379 -10.638 5.763 1.00 0.00 H new ATOM 623 N TRP A 45 5.186 -8.385 2.766 1.00 0.00 N ATOM 624 CA TRP A 45 4.540 -7.106 2.494 1.00 0.00 C ATOM 625 C TRP A 45 4.899 -6.600 1.102 1.00 0.00 C ATOM 626 O TRP A 45 6.070 -6.575 0.723 1.00 0.00 O ATOM 627 CB TRP A 45 4.946 -6.073 3.546 1.00 0.00 C ATOM 628 CG TRP A 45 4.213 -6.227 4.844 1.00 0.00 C ATOM 629 CD1 TRP A 45 4.208 -7.324 5.658 1.00 0.00 C ATOM 630 CD2 TRP A 45 3.376 -5.252 5.476 1.00 0.00 C ATOM 631 NE1 TRP A 45 3.418 -7.090 6.758 1.00 0.00 N ATOM 632 CE2 TRP A 45 2.897 -5.826 6.671 1.00 0.00 C ATOM 633 CE3 TRP A 45 2.986 -3.950 5.151 1.00 0.00 C ATOM 634 CZ2 TRP A 45 2.049 -5.142 7.537 1.00 0.00 C ATOM 635 CZ3 TRP A 45 2.143 -3.273 6.012 1.00 0.00 C ATOM 636 CH2 TRP A 45 1.683 -3.869 7.194 1.00 0.00 C ATOM 0 H TRP A 45 6.150 -8.449 2.438 1.00 0.00 H new ATOM 0 HA TRP A 45 3.461 -7.255 2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.017 -6.154 3.730 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.765 -5.073 3.152 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.746 -8.241 5.465 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.247 -7.750 7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.337 -3.481 4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.692 -5.600 8.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.833 -2.267 5.770 1.00 0.00 H new ATOM 0 HH2 TRP A 45 1.027 -3.313 7.847 1.00 0.00 H new ATOM 647 N TRP A 46 3.885 -6.197 0.344 1.00 0.00 N ATOM 648 CA TRP A 46 4.095 -5.690 -1.007 1.00 0.00 C ATOM 649 C TRP A 46 3.800 -4.196 -1.081 1.00 0.00 C ATOM 650 O TRP A 46 3.032 -3.666 -0.279 1.00 0.00 O ATOM 651 CB TRP A 46 3.211 -6.447 -2.000 1.00 0.00 C ATOM 652 CG TRP A 46 3.142 -7.920 -1.732 1.00 0.00 C ATOM 653 CD1 TRP A 46 4.184 -8.746 -1.423 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.968 -8.740 -1.750 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.729 -10.031 -1.248 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.374 -10.053 -1.442 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.615 -8.492 -1.994 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.473 -11.113 -1.374 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.278 -9.545 -1.927 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.154 -10.842 -1.618 1.00 0.00 C ATOM 0 H TRP A 46 2.910 -6.212 0.642 1.00 0.00 H new ATOM 0 HA TRP A 46 5.141 -5.847 -1.269 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.204 -6.032 -1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.590 -6.286 -3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.214 -8.435 -1.330 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.307 -10.837 -1.012 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.273 -7.495 -2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.804 -12.113 -1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.326 -9.365 -2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.568 -11.643 -1.572 1.00 0.00 H new ATOM 671 N TRP A 47 4.415 -3.524 -2.047 1.00 0.00 N ATOM 672 CA TRP A 47 4.217 -2.089 -2.224 1.00 0.00 C ATOM 673 C TRP A 47 2.937 -1.809 -3.004 1.00 0.00 C ATOM 674 O TRP A 47 2.600 -2.530 -3.942 1.00 0.00 O ATOM 675 CB TRP A 47 5.416 -1.474 -2.949 1.00 0.00 C ATOM 676 CG TRP A 47 5.197 -0.048 -3.354 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.495 0.398 -4.437 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.685 1.118 -2.682 1.00 0.00 C ATOM 679 NE1 TRP A 47 4.517 1.771 -4.479 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.240 2.237 -3.413 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.453 1.327 -1.533 1.00 0.00 C ATOM 682 CZ2 TRP A 47 5.539 3.542 -3.032 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.749 2.623 -1.156 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.293 3.717 -1.903 1.00 0.00 C ATOM 0 H TRP A 47 5.054 -3.948 -2.719 1.00 0.00 H new ATOM 0 HA TRP A 47 4.126 -1.635 -1.237 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.291 -1.530 -2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.638 -2.066 -3.837 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.996 -0.236 -5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.068 2.350 -5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.809 0.490 -0.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.189 4.387 -3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.342 2.796 -0.270 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.541 4.718 -1.582 1.00 0.00 H new ATOM 695 N GLY A 48 2.228 -0.756 -2.610 1.00 0.00 N ATOM 696 CA GLY A 48 0.993 -0.399 -3.284 1.00 0.00 C ATOM 697 C GLY A 48 1.089 0.931 -4.005 1.00 0.00 C ATOM 698 O GLY A 48 1.550 1.920 -3.436 1.00 0.00 O ATOM 0 H GLY A 48 2.486 -0.144 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.735 -1.179 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.184 -0.356 -2.555 1.00 0.00 H new ATOM 702 N GLN A 49 0.654 0.954 -5.260 1.00 0.00 N ATOM 703 CA GLN A 49 0.695 2.173 -6.060 1.00 0.00 C ATOM 704 C GLN A 49 -0.694 2.533 -6.577 1.00 0.00 C ATOM 705 O GLN A 49 -1.277 1.802 -7.378 1.00 0.00 O ATOM 706 CB GLN A 49 1.661 2.005 -7.234 1.00 0.00 C ATOM 707 CG GLN A 49 1.878 3.281 -8.031 1.00 0.00 C ATOM 708 CD GLN A 49 3.219 3.307 -8.738 1.00 0.00 C ATOM 709 OE1 GLN A 49 3.333 2.893 -9.892 1.00 0.00 O ATOM 710 NE2 GLN A 49 4.243 3.794 -8.048 1.00 0.00 N ATOM 0 H GLN A 49 0.269 0.143 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 49 1.046 2.984 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.622 1.655 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.279 1.231 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.081 3.385 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.807 4.139 -7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.103 4.126 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.170 3.836 -8.472 1.00 0.00 H new ATOM 719 N ILE A 50 -1.218 3.662 -6.112 1.00 0.00 N ATOM 720 CA ILE A 50 -2.538 4.118 -6.529 1.00 0.00 C ATOM 721 C ILE A 50 -2.443 5.395 -7.357 1.00 0.00 C ATOM 722 O ILE A 50 -1.487 6.160 -7.230 1.00 0.00 O ATOM 723 CB ILE A 50 -3.454 4.374 -5.317 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.404 3.187 -4.353 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.881 4.631 -5.776 1.00 0.00 C ATOM 726 CD1 ILE A 50 -4.071 3.459 -3.023 1.00 0.00 C ATOM 0 H ILE A 50 -0.749 4.277 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.968 3.323 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.098 5.260 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.884 2.328 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.363 2.914 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.516 4.810 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.902 5.505 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.250 3.763 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.997 2.574 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.576 4.297 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.121 3.702 -3.186 1.00 0.00 H new ATOM 738 N ASP A 51 -3.441 5.619 -8.205 1.00 0.00 N ATOM 739 CA ASP A 51 -3.471 6.805 -9.054 1.00 0.00 C ATOM 740 C ASP A 51 -2.822 7.993 -8.351 1.00 0.00 C ATOM 741 O ASP A 51 -1.829 8.543 -8.828 1.00 0.00 O ATOM 742 CB ASP A 51 -4.912 7.147 -9.436 1.00 0.00 C ATOM 743 CG ASP A 51 -5.544 6.089 -10.319 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.151 4.909 -10.204 1.00 0.00 O ATOM 745 OD2 ASP A 51 -6.430 6.441 -11.125 1.00 0.00 O ATOM 0 H ASP A 51 -4.240 4.995 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.904 6.589 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.507 7.263 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.930 8.106 -9.954 1.00 0.00 H new ATOM 750 N ASP A 52 -3.390 8.384 -7.215 1.00 0.00 N ATOM 751 CA ASP A 52 -2.867 9.507 -6.446 1.00 0.00 C ATOM 752 C ASP A 52 -2.136 9.018 -5.200 1.00 0.00 C ATOM 753 O ASP A 52 -1.088 9.551 -4.835 1.00 0.00 O ATOM 754 CB ASP A 52 -4.001 10.453 -6.049 1.00 0.00 C ATOM 755 CG ASP A 52 -4.608 11.162 -7.243 1.00 0.00 C ATOM 756 OD1 ASP A 52 -3.942 12.058 -7.803 1.00 0.00 O ATOM 757 OD2 ASP A 52 -5.751 10.823 -7.618 1.00 0.00 O ATOM 0 H ASP A 52 -4.212 7.940 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.158 10.047 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.777 9.888 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.623 11.193 -5.344 1.00 0.00 H new ATOM 762 N GLU A 53 -2.696 8.003 -4.550 1.00 0.00 N ATOM 763 CA GLU A 53 -2.098 7.444 -3.344 1.00 0.00 C ATOM 764 C GLU A 53 -0.961 6.488 -3.693 1.00 0.00 C ATOM 765 O GLU A 53 -0.984 5.835 -4.735 1.00 0.00 O ATOM 766 CB GLU A 53 -3.156 6.715 -2.513 1.00 0.00 C ATOM 767 CG GLU A 53 -3.930 7.627 -1.577 1.00 0.00 C ATOM 768 CD GLU A 53 -4.726 8.684 -2.318 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.837 8.368 -2.791 1.00 0.00 O ATOM 770 OE2 GLU A 53 -4.236 9.828 -2.424 1.00 0.00 O ATOM 0 H GLU A 53 -3.564 7.551 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.690 8.267 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.856 6.220 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.671 5.934 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.607 7.027 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.235 8.114 -0.893 1.00 0.00 H new ATOM 777 N GLU A 54 0.033 6.413 -2.813 1.00 0.00 N ATOM 778 CA GLU A 54 1.179 5.538 -3.029 1.00 0.00 C ATOM 779 C GLU A 54 1.830 5.158 -1.702 1.00 0.00 C ATOM 780 O GLU A 54 1.595 5.795 -0.677 1.00 0.00 O ATOM 781 CB GLU A 54 2.205 6.220 -3.936 1.00 0.00 C ATOM 782 CG GLU A 54 1.707 6.450 -5.353 1.00 0.00 C ATOM 783 CD GLU A 54 0.993 7.778 -5.512 1.00 0.00 C ATOM 784 OE1 GLU A 54 1.207 8.672 -4.668 1.00 0.00 O ATOM 785 OE2 GLU A 54 0.220 7.923 -6.483 1.00 0.00 O ATOM 0 H GLU A 54 0.067 6.947 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 54 0.824 4.629 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.484 7.178 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.108 5.610 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.551 6.411 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.030 5.642 -5.632 1.00 0.00 H new ATOM 792 N GLY A 55 2.652 4.112 -1.731 1.00 0.00 N ATOM 793 CA GLY A 55 3.324 3.663 -0.526 1.00 0.00 C ATOM 794 C GLY A 55 3.230 2.163 -0.334 1.00 0.00 C ATOM 795 O GLY A 55 3.075 1.415 -1.300 1.00 0.00 O ATOM 0 H GLY A 55 2.864 3.568 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.373 3.956 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.888 4.165 0.338 1.00 0.00 H new ATOM 799 N TRP A 56 3.325 1.721 0.915 1.00 0.00 N ATOM 800 CA TRP A 56 3.251 0.299 1.230 1.00 0.00 C ATOM 801 C TRP A 56 1.885 -0.061 1.805 1.00 0.00 C ATOM 802 O TRP A 56 1.360 0.642 2.669 1.00 0.00 O ATOM 803 CB TRP A 56 4.352 -0.083 2.220 1.00 0.00 C ATOM 804 CG TRP A 56 5.611 0.711 2.044 1.00 0.00 C ATOM 805 CD1 TRP A 56 5.786 2.039 2.309 1.00 0.00 C ATOM 806 CD2 TRP A 56 6.869 0.227 1.563 1.00 0.00 C ATOM 807 NE1 TRP A 56 7.077 2.410 2.021 1.00 0.00 N ATOM 808 CE2 TRP A 56 7.762 1.316 1.562 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.329 -1.021 1.134 1.00 0.00 C ATOM 810 CZ2 TRP A 56 9.086 1.193 1.149 1.00 0.00 C ATOM 811 CZ3 TRP A 56 8.643 -1.141 0.723 1.00 0.00 C ATOM 812 CH2 TRP A 56 9.509 -0.040 0.734 1.00 0.00 C ATOM 0 H TRP A 56 3.453 2.327 1.726 1.00 0.00 H new ATOM 0 HA TRP A 56 3.394 -0.260 0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.982 0.057 3.236 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.581 -1.143 2.107 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.022 2.701 2.689 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.463 3.348 2.131 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.670 -1.876 1.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.755 2.041 1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.009 -2.100 0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.531 -0.167 0.408 1.00 0.00 H new ATOM 823 N PHE A 57 1.315 -1.160 1.321 1.00 0.00 N ATOM 824 CA PHE A 57 0.009 -1.612 1.787 1.00 0.00 C ATOM 825 C PHE A 57 0.102 -3.011 2.389 1.00 0.00 C ATOM 826 O PHE A 57 0.932 -3.831 1.995 1.00 0.00 O ATOM 827 CB PHE A 57 -0.997 -1.606 0.635 1.00 0.00 C ATOM 828 CG PHE A 57 -0.817 -2.746 -0.325 1.00 0.00 C ATOM 829 CD1 PHE A 57 0.261 -2.771 -1.196 1.00 0.00 C ATOM 830 CD2 PHE A 57 -1.724 -3.793 -0.357 1.00 0.00 C ATOM 831 CE1 PHE A 57 0.429 -3.819 -2.081 1.00 0.00 C ATOM 832 CE2 PHE A 57 -1.561 -4.844 -1.240 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.482 -4.857 -2.103 1.00 0.00 C ATOM 0 H PHE A 57 1.737 -1.754 0.607 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.332 -0.924 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.006 -1.643 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.908 -0.666 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.977 -1.963 -1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.569 -3.788 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.273 -3.826 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.276 -5.654 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.351 -5.677 -2.793 1.00 0.00 H new ATOM 843 N PRO A 58 -0.771 -3.292 3.369 1.00 0.00 N ATOM 844 CA PRO A 58 -0.808 -4.591 4.046 1.00 0.00 C ATOM 845 C PRO A 58 -1.319 -5.704 3.138 1.00 0.00 C ATOM 846 O PRO A 58 -2.405 -5.603 2.567 1.00 0.00 O ATOM 847 CB PRO A 58 -1.780 -4.358 5.206 1.00 0.00 C ATOM 848 CG PRO A 58 -2.654 -3.241 4.749 1.00 0.00 C ATOM 849 CD PRO A 58 -1.788 -2.363 3.889 1.00 0.00 C ATOM 0 HA PRO A 58 0.184 -4.915 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.362 -5.254 5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.249 -4.096 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.508 -3.619 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.053 -2.685 5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.359 -1.900 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.337 -1.555 4.465 1.00 0.00 H new ATOM 857 N ALA A 59 -0.530 -6.766 3.010 1.00 0.00 N ATOM 858 CA ALA A 59 -0.905 -7.899 2.173 1.00 0.00 C ATOM 859 C ALA A 59 -1.928 -8.786 2.874 1.00 0.00 C ATOM 860 O ALA A 59 -2.439 -9.741 2.291 1.00 0.00 O ATOM 861 CB ALA A 59 0.328 -8.708 1.797 1.00 0.00 C ATOM 0 H ALA A 59 0.372 -6.865 3.475 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.363 -7.511 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.033 -9.551 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.025 -8.075 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.810 -9.078 2.702 1.00 0.00 H new ATOM 867 N SER A 60 -2.221 -8.463 4.130 1.00 0.00 N ATOM 868 CA SER A 60 -3.180 -9.234 4.913 1.00 0.00 C ATOM 869 C SER A 60 -4.528 -8.522 4.974 1.00 0.00 C ATOM 870 O SER A 60 -5.578 -9.162 5.051 1.00 0.00 O ATOM 871 CB SER A 60 -2.647 -9.463 6.329 1.00 0.00 C ATOM 872 OG SER A 60 -3.262 -10.589 6.929 1.00 0.00 O ATOM 0 H SER A 60 -1.808 -7.673 4.627 1.00 0.00 H new ATOM 0 HA SER A 60 -3.319 -10.198 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.567 -9.609 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.830 -8.577 6.938 1.00 0.00 H new ATOM 0 HG SER A 60 -2.903 -10.715 7.832 1.00 0.00 H new ATOM 878 N PHE A 61 -4.492 -7.194 4.938 1.00 0.00 N ATOM 879 CA PHE A 61 -5.710 -6.394 4.989 1.00 0.00 C ATOM 880 C PHE A 61 -6.240 -6.121 3.585 1.00 0.00 C ATOM 881 O PHE A 61 -6.770 -5.044 3.308 1.00 0.00 O ATOM 882 CB PHE A 61 -5.447 -5.073 5.714 1.00 0.00 C ATOM 883 CG PHE A 61 -5.680 -5.145 7.196 1.00 0.00 C ATOM 884 CD1 PHE A 61 -5.234 -6.233 7.929 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.345 -4.124 7.856 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.448 -6.302 9.293 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.562 -4.188 9.220 1.00 0.00 C ATOM 888 CZ PHE A 61 -6.112 -5.277 9.939 1.00 0.00 C ATOM 0 H PHE A 61 -3.632 -6.649 4.874 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.463 -6.958 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.417 -4.766 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.090 -4.301 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.713 -7.036 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.698 -3.269 7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.097 -7.156 9.853 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.083 -3.387 9.722 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.279 -5.328 11.005 1.00 0.00 H new ATOM 898 N VAL A 62 -6.094 -7.103 2.702 1.00 0.00 N ATOM 899 CA VAL A 62 -6.559 -6.970 1.326 1.00 0.00 C ATOM 900 C VAL A 62 -6.865 -8.333 0.715 1.00 0.00 C ATOM 901 O VAL A 62 -6.269 -9.342 1.092 1.00 0.00 O ATOM 902 CB VAL A 62 -5.518 -6.249 0.450 1.00 0.00 C ATOM 903 CG1 VAL A 62 -5.205 -4.872 1.016 1.00 0.00 C ATOM 904 CG2 VAL A 62 -4.252 -7.085 0.329 1.00 0.00 C ATOM 0 H VAL A 62 -5.657 -8.000 2.915 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.472 -6.376 1.356 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.937 -6.119 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.467 -4.378 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.116 -4.275 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.806 -4.975 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.527 -6.560 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.828 -7.249 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.493 -8.046 -0.126 1.00 0.00 H new ATOM 914 N ARG A 63 -7.798 -8.354 -0.231 1.00 0.00 N ATOM 915 CA ARG A 63 -8.184 -9.594 -0.894 1.00 0.00 C ATOM 916 C ARG A 63 -7.641 -9.640 -2.319 1.00 0.00 C ATOM 917 O ARG A 63 -7.827 -8.703 -3.097 1.00 0.00 O ATOM 918 CB ARG A 63 -9.708 -9.734 -0.913 1.00 0.00 C ATOM 919 CG ARG A 63 -10.270 -10.431 0.315 1.00 0.00 C ATOM 920 CD ARG A 63 -9.932 -11.913 0.318 1.00 0.00 C ATOM 921 NE ARG A 63 -10.470 -12.600 -0.853 1.00 0.00 N ATOM 922 CZ ARG A 63 -10.316 -13.901 -1.077 1.00 0.00 C ATOM 923 NH1 ARG A 63 -9.644 -14.650 -0.214 1.00 0.00 N ATOM 924 NH2 ARG A 63 -10.835 -14.453 -2.166 1.00 0.00 N ATOM 0 H ARG A 63 -8.300 -7.528 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.756 -10.425 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.155 -8.743 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.002 -10.290 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.870 -9.964 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.352 -10.303 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.850 -12.038 0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.329 -12.373 1.223 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.992 -12.052 -1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.244 -14.228 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.527 -15.648 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.352 -13.879 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.717 -15.451 -2.338 1.00 0.00 H new ATOM 938 N LEU A 64 -6.969 -10.735 -2.655 1.00 0.00 N ATOM 939 CA LEU A 64 -6.397 -10.903 -3.987 1.00 0.00 C ATOM 940 C LEU A 64 -7.493 -10.962 -5.046 1.00 0.00 C ATOM 941 O LEU A 64 -8.615 -11.388 -4.770 1.00 0.00 O ATOM 942 CB LEU A 64 -5.550 -12.176 -4.043 1.00 0.00 C ATOM 943 CG LEU A 64 -4.134 -12.064 -3.476 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.165 -11.591 -4.549 1.00 0.00 C ATOM 945 CD2 LEU A 64 -4.110 -11.123 -2.281 1.00 0.00 C ATOM 0 H LEU A 64 -6.807 -11.520 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.762 -10.042 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.076 -12.963 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.480 -12.497 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.819 -13.052 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.163 -11.517 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.160 -12.303 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.477 -10.613 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.094 -11.056 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.446 -10.133 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.772 -11.505 -1.504 1.00 0.00 H new ATOM 957 N TRP A 65 -7.160 -10.534 -6.259 1.00 0.00 N ATOM 958 CA TRP A 65 -8.116 -10.540 -7.360 1.00 0.00 C ATOM 959 C TRP A 65 -8.146 -11.901 -8.048 1.00 0.00 C ATOM 960 O TRP A 65 -7.522 -12.093 -9.092 1.00 0.00 O ATOM 961 CB TRP A 65 -7.764 -9.450 -8.374 1.00 0.00 C ATOM 962 CG TRP A 65 -8.302 -8.101 -8.006 1.00 0.00 C ATOM 963 CD1 TRP A 65 -8.353 -7.551 -6.757 1.00 0.00 C ATOM 964 CD2 TRP A 65 -8.868 -7.132 -8.896 1.00 0.00 C ATOM 965 NE1 TRP A 65 -8.916 -6.299 -6.817 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.239 -6.018 -8.118 1.00 0.00 C ATOM 967 CE3 TRP A 65 -9.094 -7.096 -10.275 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -9.825 -4.884 -8.674 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -9.676 -5.970 -10.825 1.00 0.00 C ATOM 970 CH2 TRP A 65 -10.036 -4.876 -10.026 1.00 0.00 C ATOM 0 H TRP A 65 -6.236 -10.179 -6.504 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.106 -10.339 -6.950 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.680 -9.388 -8.468 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.153 -9.734 -9.352 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.002 -8.030 -5.855 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.069 -5.679 -6.021 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.819 -7.933 -10.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.103 -4.040 -8.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.857 -5.932 -11.889 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.489 -4.010 -10.486 1.00 0.00 H new ATOM 981 N VAL A 66 -8.874 -12.842 -7.456 1.00 0.00 N ATOM 982 CA VAL A 66 -8.986 -14.185 -8.013 1.00 0.00 C ATOM 983 C VAL A 66 -10.438 -14.535 -8.317 1.00 0.00 C ATOM 984 O VAL A 66 -11.338 -14.228 -7.536 1.00 0.00 O ATOM 985 CB VAL A 66 -8.405 -15.241 -7.054 1.00 0.00 C ATOM 986 CG1 VAL A 66 -8.760 -16.643 -7.524 1.00 0.00 C ATOM 987 CG2 VAL A 66 -6.898 -15.076 -6.931 1.00 0.00 C ATOM 0 H VAL A 66 -9.395 -12.699 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.412 -14.192 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.846 -15.093 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.341 -17.375 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.844 -16.753 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.350 -16.807 -8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.504 -15.830 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.438 -15.197 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.671 -14.083 -6.543 1.00 0.00 H new ATOM 997 N ASN A 67 -10.659 -15.179 -9.458 1.00 0.00 N ATOM 998 CA ASN A 67 -12.004 -15.571 -9.866 1.00 0.00 C ATOM 999 C ASN A 67 -12.178 -17.085 -9.784 1.00 0.00 C ATOM 1000 O ASN A 67 -11.470 -17.838 -10.452 1.00 0.00 O ATOM 1001 CB ASN A 67 -12.287 -15.091 -11.292 1.00 0.00 C ATOM 1002 CG ASN A 67 -11.085 -15.246 -12.203 1.00 0.00 C ATOM 1003 OD1 ASN A 67 -10.151 -14.445 -12.158 1.00 0.00 O ATOM 1004 ND2 ASN A 67 -11.104 -16.280 -13.037 1.00 0.00 N ATOM 0 H ASN A 67 -9.925 -15.441 -10.116 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.714 -15.104 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.125 -15.654 -11.702 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.588 -14.044 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.323 -16.435 -13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.899 -16.919 -13.040 1.00 0.00 H new ATOM 1011 N GLN A 68 -13.124 -17.522 -8.960 1.00 0.00 N ATOM 1012 CA GLN A 68 -13.391 -18.945 -8.790 1.00 0.00 C ATOM 1013 C GLN A 68 -14.705 -19.168 -8.049 1.00 0.00 C ATOM 1014 O GLN A 68 -15.224 -18.261 -7.399 1.00 0.00 O ATOM 1015 CB GLN A 68 -12.244 -19.613 -8.030 1.00 0.00 C ATOM 1016 CG GLN A 68 -12.078 -21.089 -8.353 1.00 0.00 C ATOM 1017 CD GLN A 68 -10.930 -21.727 -7.596 1.00 0.00 C ATOM 1018 OE1 GLN A 68 -10.463 -21.194 -6.589 1.00 0.00 O ATOM 1019 NE2 GLN A 68 -10.469 -22.876 -8.077 1.00 0.00 N ATOM 0 H GLN A 68 -13.718 -16.911 -8.400 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.473 -19.394 -9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.315 -19.092 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.415 -19.501 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.002 -21.615 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.912 -21.206 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.886 -23.282 -8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.698 -23.352 -7.609 1.00 0.00 H new ATOM 1028 N GLU A 69 -15.239 -20.382 -8.152 1.00 0.00 N ATOM 1029 CA GLU A 69 -16.494 -20.722 -7.492 1.00 0.00 C ATOM 1030 C GLU A 69 -16.437 -20.382 -6.006 1.00 0.00 C ATOM 1031 O GLU A 69 -15.358 -20.201 -5.440 1.00 0.00 O ATOM 1032 CB GLU A 69 -16.804 -22.209 -7.675 1.00 0.00 C ATOM 1033 CG GLU A 69 -15.735 -23.128 -7.108 1.00 0.00 C ATOM 1034 CD GLU A 69 -15.869 -23.326 -5.611 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -17.015 -23.414 -5.124 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -14.826 -23.392 -4.926 1.00 0.00 O ATOM 0 H GLU A 69 -14.822 -21.145 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.288 -20.133 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.757 -22.435 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.925 -22.418 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.793 -24.096 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.751 -22.714 -7.329 1.00 0.00 H new ATOM 1043 N ASP A 70 -17.605 -20.296 -5.379 1.00 0.00 N ATOM 1044 CA ASP A 70 -17.689 -19.978 -3.959 1.00 0.00 C ATOM 1045 C ASP A 70 -18.632 -20.940 -3.242 1.00 0.00 C ATOM 1046 O ASP A 70 -19.371 -21.689 -3.879 1.00 0.00 O ATOM 1047 CB ASP A 70 -18.165 -18.538 -3.764 1.00 0.00 C ATOM 1048 CG ASP A 70 -19.209 -18.130 -4.785 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -18.837 -17.903 -5.956 1.00 0.00 O ATOM 1050 OD2 ASP A 70 -20.398 -18.038 -4.414 1.00 0.00 O ATOM 0 H ASP A 70 -18.507 -20.442 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.693 -20.084 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.579 -18.428 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.311 -17.864 -3.832 1.00 0.00 H new ATOM 1055 N GLU A 71 -18.598 -20.913 -1.913 1.00 0.00 N ATOM 1056 CA GLU A 71 -19.449 -21.784 -1.110 1.00 0.00 C ATOM 1057 C GLU A 71 -20.805 -21.134 -0.853 1.00 0.00 C ATOM 1058 O GLU A 71 -20.884 -20.015 -0.346 1.00 0.00 O ATOM 1059 CB GLU A 71 -18.768 -22.113 0.220 1.00 0.00 C ATOM 1060 CG GLU A 71 -19.569 -23.062 1.095 1.00 0.00 C ATOM 1061 CD GLU A 71 -19.388 -24.515 0.700 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -18.368 -25.116 1.099 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -20.266 -25.051 -0.008 1.00 0.00 O ATOM 0 H GLU A 71 -17.991 -20.298 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.609 -22.707 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.792 -22.554 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.593 -21.187 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.269 -22.932 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -20.626 -22.802 1.034 1.00 0.00 H new ATOM 1070 N VAL A 72 -21.872 -21.844 -1.207 1.00 0.00 N ATOM 1071 CA VAL A 72 -23.225 -21.338 -1.015 1.00 0.00 C ATOM 1072 C VAL A 72 -23.559 -21.211 0.467 1.00 0.00 C ATOM 1073 O VAL A 72 -22.760 -21.580 1.327 1.00 0.00 O ATOM 1074 CB VAL A 72 -24.267 -22.252 -1.688 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -24.043 -22.300 -3.191 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -24.217 -23.649 -1.088 1.00 0.00 C ATOM 0 H VAL A 72 -21.825 -22.772 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 72 -23.263 -20.352 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 72 -25.259 -21.839 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -24.788 -22.950 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -24.134 -21.296 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -23.046 -22.689 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -24.960 -24.281 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -23.224 -24.074 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -24.431 -23.594 -0.021 1.00 0.00 H new ATOM 1086 N GLU A 73 -24.746 -20.687 0.758 1.00 0.00 N ATOM 1087 CA GLU A 73 -25.185 -20.511 2.138 1.00 0.00 C ATOM 1088 C GLU A 73 -26.394 -21.391 2.440 1.00 0.00 C ATOM 1089 O GLU A 73 -26.932 -22.050 1.551 1.00 0.00 O ATOM 1090 CB GLU A 73 -25.529 -19.044 2.403 1.00 0.00 C ATOM 1091 CG GLU A 73 -26.600 -18.492 1.477 1.00 0.00 C ATOM 1092 CD GLU A 73 -28.003 -18.729 2.001 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -28.377 -18.084 3.004 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -28.726 -19.558 1.410 1.00 0.00 O ATOM 0 H GLU A 73 -25.420 -20.377 0.058 1.00 0.00 H new ATOM 0 HA GLU A 73 -24.367 -20.809 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -25.864 -18.939 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -24.626 -18.443 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -26.442 -17.422 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -26.500 -18.955 0.495 1.00 0.00 H new ATOM 1101 N GLU A 74 -26.814 -21.397 3.702 1.00 0.00 N ATOM 1102 CA GLU A 74 -27.958 -22.198 4.122 1.00 0.00 C ATOM 1103 C GLU A 74 -29.224 -21.348 4.179 1.00 0.00 C ATOM 1104 O GLU A 74 -30.262 -21.723 3.635 1.00 0.00 O ATOM 1105 CB GLU A 74 -27.692 -22.830 5.489 1.00 0.00 C ATOM 1106 CG GLU A 74 -27.507 -21.814 6.604 1.00 0.00 C ATOM 1107 CD GLU A 74 -26.743 -22.377 7.786 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -25.525 -22.614 7.646 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -27.362 -22.581 8.851 1.00 0.00 O ATOM 0 H GLU A 74 -26.379 -20.857 4.450 1.00 0.00 H new ATOM 0 HA GLU A 74 -28.105 -22.990 3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -28.523 -23.489 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -26.800 -23.453 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.977 -20.945 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -28.484 -21.467 6.940 1.00 0.00 H new ATOM 1116 N GLY A 75 -29.131 -20.201 4.845 1.00 0.00 N ATOM 1117 CA GLY A 75 -30.275 -19.316 4.963 1.00 0.00 C ATOM 1118 C GLY A 75 -31.100 -19.597 6.203 1.00 0.00 C ATOM 1119 O GLY A 75 -30.762 -20.478 6.995 1.00 0.00 O ATOM 0 H GLY A 75 -28.283 -19.869 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -29.930 -18.282 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -30.905 -19.422 4.080 1.00 0.00 H new ATOM 1123 N SER A 76 -32.183 -18.847 6.374 1.00 0.00 N ATOM 1124 CA SER A 76 -33.056 -19.016 7.530 1.00 0.00 C ATOM 1125 C SER A 76 -34.471 -19.381 7.093 1.00 0.00 C ATOM 1126 O SER A 76 -35.040 -20.369 7.556 1.00 0.00 O ATOM 1127 CB SER A 76 -33.083 -17.736 8.367 1.00 0.00 C ATOM 1128 OG SER A 76 -33.499 -18.003 9.695 1.00 0.00 O ATOM 0 H SER A 76 -32.478 -18.116 5.727 1.00 0.00 H new ATOM 0 HA SER A 76 -32.660 -19.830 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 76 -32.091 -17.284 8.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 -33.758 -17.013 7.910 1.00 0.00 H new ATOM 0 HG SER A 76 -33.506 -17.169 10.210 1.00 0.00 H new ATOM 1134 N GLY A 77 -35.034 -18.576 6.198 1.00 0.00 N ATOM 1135 CA GLY A 77 -36.379 -18.829 5.713 1.00 0.00 C ATOM 1136 C GLY A 77 -37.440 -18.196 6.590 1.00 0.00 C ATOM 1137 O GLY A 77 -37.288 -18.089 7.807 1.00 0.00 O ATOM 0 H GLY A 77 -34.583 -17.752 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -36.474 -18.444 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -36.548 -19.905 5.663 1.00 0.00 H new ATOM 1141 N PRO A 78 -38.546 -17.763 5.968 1.00 0.00 N ATOM 1142 CA PRO A 78 -39.659 -17.128 6.681 1.00 0.00 C ATOM 1143 C PRO A 78 -40.422 -18.114 7.559 1.00 0.00 C ATOM 1144 O PRO A 78 -40.053 -19.284 7.661 1.00 0.00 O ATOM 1145 CB PRO A 78 -40.556 -16.613 5.552 1.00 0.00 C ATOM 1146 CG PRO A 78 -40.250 -17.496 4.392 1.00 0.00 C ATOM 1147 CD PRO A 78 -38.796 -17.859 4.520 1.00 0.00 C ATOM 0 HA PRO A 78 -39.316 -16.348 7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -41.609 -16.670 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -40.343 -15.569 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -40.877 -18.387 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -40.443 -16.983 3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -38.598 -18.863 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -38.160 -17.176 3.956 1.00 0.00 H new ATOM 1155 N SER A 79 -41.488 -17.634 8.192 1.00 0.00 N ATOM 1156 CA SER A 79 -42.301 -18.473 9.064 1.00 0.00 C ATOM 1157 C SER A 79 -43.606 -17.772 9.429 1.00 0.00 C ATOM 1158 O SER A 79 -43.748 -16.564 9.243 1.00 0.00 O ATOM 1159 CB SER A 79 -41.526 -18.826 10.335 1.00 0.00 C ATOM 1160 OG SER A 79 -41.206 -17.662 11.077 1.00 0.00 O ATOM 0 H SER A 79 -41.808 -16.669 8.117 1.00 0.00 H new ATOM 0 HA SER A 79 -42.539 -19.390 8.526 1.00 0.00 H new ATOM 0 HB2 SER A 79 -42.120 -19.502 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 79 -40.611 -19.356 10.071 1.00 0.00 H new ATOM 0 HG SER A 79 -40.713 -17.915 11.885 1.00 0.00 H new ATOM 1166 N SER A 80 -44.557 -18.541 9.951 1.00 0.00 N ATOM 1167 CA SER A 80 -45.853 -17.996 10.339 1.00 0.00 C ATOM 1168 C SER A 80 -46.516 -17.282 9.165 1.00 0.00 C ATOM 1169 O SER A 80 -46.922 -16.126 9.275 1.00 0.00 O ATOM 1170 CB SER A 80 -45.692 -17.028 11.513 1.00 0.00 C ATOM 1171 OG SER A 80 -45.441 -17.728 12.720 1.00 0.00 O ATOM 0 H SER A 80 -44.454 -19.543 10.115 1.00 0.00 H new ATOM 0 HA SER A 80 -46.491 -18.825 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 80 -44.872 -16.339 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 80 -46.595 -16.426 11.619 1.00 0.00 H new ATOM 0 HG SER A 80 -45.340 -17.087 13.455 1.00 0.00 H new ATOM 1177 N GLY A 81 -46.623 -17.982 8.039 1.00 0.00 N ATOM 1178 CA GLY A 81 -47.237 -17.400 6.860 1.00 0.00 C ATOM 1179 C GLY A 81 -48.687 -17.024 7.088 1.00 0.00 C ATOM 1180 O GLY A 81 -49.575 -17.483 6.369 1.00 0.00 O ATOM 0 H GLY A 81 -46.296 -18.941 7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -46.677 -16.513 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -47.174 -18.108 6.034 1.00 0.00 H new TER 1184 GLY A 81