USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -2.82 USER MOD Single : A 22 MET CE :methyl -162:sc= -14.8! (180deg=-16.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.68) USER MOD Single : A 29 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.7!) USER MOD Single : A 30 GLN : amide:sc= 0.00666 X(o=0.0067,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.11! X(o=-1.1!,f=-1.2) USER MOD Single : A 44 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 45 ASN : amide:sc= 0.531 K(o=0.53,f=-9.4!) USER MOD Single : A 49 GLN : amide:sc= -2.98 K(o=-3,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0.829 (180deg=-0.15!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= 0.432 (180deg=-0.306) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.042 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 0.369! (180deg=-0.273!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.38) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -132:sc= -0.158 (180deg=-1.65!) USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.0264 (180deg=-0.292) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00617 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.704 -1.877 -12.677 1.00 0.00 N ATOM 2 CA GLY A 1 12.447 -2.392 -13.186 1.00 0.00 C ATOM 3 C GLY A 1 11.582 -2.992 -12.096 1.00 0.00 C ATOM 4 O GLY A 1 10.392 -2.691 -12.002 1.00 0.00 O ATOM 0 H1 GLY A 1 14.259 -1.478 -13.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.516 -1.135 -11.973 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.240 -2.649 -12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.900 -1.587 -13.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.648 -3.149 -13.944 1.00 0.00 H new ATOM 8 N SER A 2 12.180 -3.845 -11.271 1.00 0.00 N ATOM 9 CA SER A 2 11.454 -4.494 -10.185 1.00 0.00 C ATOM 10 C SER A 2 11.876 -3.924 -8.834 1.00 0.00 C ATOM 11 O SER A 2 12.826 -4.403 -8.215 1.00 0.00 O ATOM 12 CB SER A 2 11.696 -6.004 -10.212 1.00 0.00 C ATOM 13 OG SER A 2 11.177 -6.583 -11.397 1.00 0.00 O ATOM 0 H SER A 2 13.165 -4.103 -11.333 1.00 0.00 H new ATOM 0 HA SER A 2 10.390 -4.302 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.765 -6.205 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.228 -6.466 -9.343 1.00 0.00 H new ATOM 0 HG SER A 2 11.346 -7.548 -11.391 1.00 0.00 H new ATOM 19 N SER A 3 11.162 -2.898 -8.382 1.00 0.00 N ATOM 20 CA SER A 3 11.463 -2.260 -7.106 1.00 0.00 C ATOM 21 C SER A 3 11.151 -3.196 -5.943 1.00 0.00 C ATOM 22 O SER A 3 10.068 -3.775 -5.870 1.00 0.00 O ATOM 23 CB SER A 3 10.665 -0.963 -6.960 1.00 0.00 C ATOM 24 OG SER A 3 11.066 -0.005 -7.924 1.00 0.00 O ATOM 0 H SER A 3 10.371 -2.491 -8.881 1.00 0.00 H new ATOM 0 HA SER A 3 12.528 -2.028 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.601 -1.173 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.806 -0.557 -5.959 1.00 0.00 H new ATOM 0 HG SER A 3 10.540 0.814 -7.810 1.00 0.00 H new ATOM 30 N GLY A 4 12.110 -3.340 -5.033 1.00 0.00 N ATOM 31 CA GLY A 4 11.920 -4.207 -3.885 1.00 0.00 C ATOM 32 C GLY A 4 11.177 -3.520 -2.757 1.00 0.00 C ATOM 33 O GLY A 4 10.286 -2.705 -2.996 1.00 0.00 O ATOM 0 H GLY A 4 13.015 -2.871 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.368 -5.095 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.891 -4.545 -3.524 1.00 0.00 H new ATOM 37 N SER A 5 11.542 -3.850 -1.522 1.00 0.00 N ATOM 38 CA SER A 5 10.900 -3.263 -0.352 1.00 0.00 C ATOM 39 C SER A 5 11.457 -1.871 -0.068 1.00 0.00 C ATOM 40 O SER A 5 12.586 -1.554 -0.442 1.00 0.00 O ATOM 41 CB SER A 5 11.098 -4.163 0.870 1.00 0.00 C ATOM 42 OG SER A 5 10.046 -3.992 1.804 1.00 0.00 O ATOM 0 H SER A 5 12.279 -4.521 -1.306 1.00 0.00 H new ATOM 0 HA SER A 5 9.834 -3.174 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.143 -5.205 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.052 -3.932 1.345 1.00 0.00 H new ATOM 0 HG SER A 5 10.194 -4.579 2.575 1.00 0.00 H new ATOM 48 N SER A 6 10.655 -1.044 0.596 1.00 0.00 N ATOM 49 CA SER A 6 11.065 0.315 0.927 1.00 0.00 C ATOM 50 C SER A 6 12.495 0.338 1.458 1.00 0.00 C ATOM 51 O SER A 6 13.020 -0.682 1.903 1.00 0.00 O ATOM 52 CB SER A 6 10.114 0.918 1.964 1.00 0.00 C ATOM 53 OG SER A 6 8.772 0.871 1.513 1.00 0.00 O ATOM 0 H SER A 6 9.718 -1.292 0.915 1.00 0.00 H new ATOM 0 HA SER A 6 11.025 0.912 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.204 0.374 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.398 1.951 2.165 1.00 0.00 H new ATOM 0 HG SER A 6 8.184 1.260 2.194 1.00 0.00 H new ATOM 59 N GLY A 7 13.120 1.510 1.408 1.00 0.00 N ATOM 60 CA GLY A 7 14.483 1.645 1.887 1.00 0.00 C ATOM 61 C GLY A 7 14.560 1.746 3.397 1.00 0.00 C ATOM 62 O GLY A 7 15.184 2.661 3.934 1.00 0.00 O ATOM 0 H GLY A 7 12.707 2.369 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.069 0.788 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.934 2.532 1.443 1.00 0.00 H new ATOM 66 N ARG A 8 13.924 0.803 4.084 1.00 0.00 N ATOM 67 CA ARG A 8 13.921 0.791 5.542 1.00 0.00 C ATOM 68 C ARG A 8 13.300 -0.498 6.074 1.00 0.00 C ATOM 69 O ARG A 8 12.165 -0.836 5.741 1.00 0.00 O ATOM 70 CB ARG A 8 13.154 1.999 6.082 1.00 0.00 C ATOM 71 CG ARG A 8 13.056 2.031 7.599 1.00 0.00 C ATOM 72 CD ARG A 8 11.802 2.757 8.061 1.00 0.00 C ATOM 73 NE ARG A 8 11.812 3.003 9.500 1.00 0.00 N ATOM 74 CZ ARG A 8 12.611 3.885 10.090 1.00 0.00 C ATOM 75 NH1 ARG A 8 13.461 4.601 9.366 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.561 4.053 11.405 1.00 0.00 N ATOM 0 H ARG A 8 13.404 0.038 3.655 1.00 0.00 H new ATOM 0 HA ARG A 8 14.955 0.844 5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.642 2.911 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.148 1.998 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.051 1.012 7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.936 2.524 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.716 3.706 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.924 2.166 7.800 1.00 0.00 H new ATOM 0 HE ARG A 8 11.170 2.468 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.502 4.475 8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.074 5.278 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.908 3.504 11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.175 4.731 11.856 1.00 0.00 H new ATOM 90 N GLY A 9 14.054 -1.214 6.903 1.00 0.00 N ATOM 91 CA GLY A 9 13.561 -2.457 7.467 1.00 0.00 C ATOM 92 C GLY A 9 14.346 -3.662 6.988 1.00 0.00 C ATOM 93 O GLY A 9 14.712 -4.529 7.782 1.00 0.00 O ATOM 0 H GLY A 9 14.997 -0.955 7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.610 -2.404 8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.511 -2.582 7.201 1.00 0.00 H new ATOM 97 N SER A 10 14.605 -3.718 5.686 1.00 0.00 N ATOM 98 CA SER A 10 15.347 -4.829 5.101 1.00 0.00 C ATOM 99 C SER A 10 14.643 -6.155 5.373 1.00 0.00 C ATOM 100 O SER A 10 15.284 -7.154 5.701 1.00 0.00 O ATOM 101 CB SER A 10 16.770 -4.870 5.660 1.00 0.00 C ATOM 102 OG SER A 10 17.579 -3.867 5.070 1.00 0.00 O ATOM 0 H SER A 10 14.312 -3.007 5.016 1.00 0.00 H new ATOM 0 HA SER A 10 15.392 -4.676 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.744 -4.731 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.209 -5.851 5.475 1.00 0.00 H new ATOM 0 HG SER A 10 18.483 -3.913 5.445 1.00 0.00 H new ATOM 108 N ARG A 11 13.322 -6.156 5.233 1.00 0.00 N ATOM 109 CA ARG A 11 12.530 -7.358 5.465 1.00 0.00 C ATOM 110 C ARG A 11 12.720 -8.361 4.331 1.00 0.00 C ATOM 111 O ARG A 11 13.137 -7.999 3.231 1.00 0.00 O ATOM 112 CB ARG A 11 11.048 -7.000 5.600 1.00 0.00 C ATOM 113 CG ARG A 11 10.715 -6.260 6.885 1.00 0.00 C ATOM 114 CD ARG A 11 10.966 -4.766 6.749 1.00 0.00 C ATOM 115 NE ARG A 11 10.425 -4.015 7.878 1.00 0.00 N ATOM 116 CZ ARG A 11 11.021 -3.938 9.063 1.00 0.00 C ATOM 117 NH1 ARG A 11 12.171 -4.563 9.272 1.00 0.00 N ATOM 118 NH2 ARG A 11 10.466 -3.235 10.042 1.00 0.00 N ATOM 0 H ARG A 11 12.777 -5.338 4.960 1.00 0.00 H new ATOM 0 HA ARG A 11 12.873 -7.815 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.752 -6.385 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 11 10.456 -7.914 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.671 -6.432 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.317 -6.658 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.038 -4.584 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.515 -4.405 5.824 1.00 0.00 H new ATOM 0 HE ARG A 11 9.541 -3.522 7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.601 -5.105 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.626 -4.502 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.581 -2.753 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.925 -3.177 10.951 1.00 0.00 H new ATOM 132 N PHE A 12 12.413 -9.624 4.608 1.00 0.00 N ATOM 133 CA PHE A 12 12.551 -10.680 3.612 1.00 0.00 C ATOM 134 C PHE A 12 12.143 -10.181 2.229 1.00 0.00 C ATOM 135 O PHE A 12 11.026 -9.700 2.034 1.00 0.00 O ATOM 136 CB PHE A 12 11.702 -11.892 4.001 1.00 0.00 C ATOM 137 CG PHE A 12 11.301 -12.744 2.831 1.00 0.00 C ATOM 138 CD1 PHE A 12 12.260 -13.393 2.069 1.00 0.00 C ATOM 139 CD2 PHE A 12 9.967 -12.896 2.492 1.00 0.00 C ATOM 140 CE1 PHE A 12 11.895 -14.178 0.992 1.00 0.00 C ATOM 141 CE2 PHE A 12 9.596 -13.680 1.416 1.00 0.00 C ATOM 142 CZ PHE A 12 10.561 -14.321 0.664 1.00 0.00 C ATOM 0 H PHE A 12 12.067 -9.941 5.514 1.00 0.00 H new ATOM 0 HA PHE A 12 13.599 -10.976 3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.259 -12.503 4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 12 10.804 -11.547 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.305 -13.284 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.208 -12.396 3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 12 12.652 -14.679 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.552 -13.791 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.273 -14.933 -0.178 1.00 0.00 H new ATOM 152 N THR A 13 13.056 -10.298 1.270 1.00 0.00 N ATOM 153 CA THR A 13 12.793 -9.858 -0.094 1.00 0.00 C ATOM 154 C THR A 13 11.873 -10.834 -0.819 1.00 0.00 C ATOM 155 O THR A 13 11.829 -12.020 -0.492 1.00 0.00 O ATOM 156 CB THR A 13 14.099 -9.709 -0.898 1.00 0.00 C ATOM 157 OG1 THR A 13 13.915 -8.765 -1.959 1.00 0.00 O ATOM 158 CG2 THR A 13 14.536 -11.047 -1.473 1.00 0.00 C ATOM 0 H THR A 13 13.985 -10.694 1.413 1.00 0.00 H new ATOM 0 HA THR A 13 12.305 -8.886 -0.024 1.00 0.00 H new ATOM 0 HB THR A 13 14.877 -9.351 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.750 -8.674 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.460 -10.917 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.703 -11.755 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.759 -11.430 -2.134 1.00 0.00 H new ATOM 166 N TRP A 14 11.139 -10.327 -1.803 1.00 0.00 N ATOM 167 CA TRP A 14 10.220 -11.156 -2.575 1.00 0.00 C ATOM 168 C TRP A 14 10.727 -11.351 -3.999 1.00 0.00 C ATOM 169 O TRP A 14 10.998 -10.382 -4.709 1.00 0.00 O ATOM 170 CB TRP A 14 8.828 -10.522 -2.598 1.00 0.00 C ATOM 171 CG TRP A 14 7.990 -10.885 -1.410 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.629 -10.063 -0.380 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.410 -12.163 -1.128 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.860 -10.754 0.525 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.710 -12.044 0.089 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.412 -13.396 -1.786 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.022 -13.112 0.659 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.729 -14.455 -1.218 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.041 -14.307 -0.006 1.00 0.00 C ATOM 0 H TRP A 14 11.162 -9.347 -2.085 1.00 0.00 H new ATOM 0 HA TRP A 14 10.160 -12.133 -2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.931 -9.438 -2.643 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.311 -10.831 -3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.907 -9.023 -0.290 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.465 -10.369 1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.938 -13.519 -2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.492 -13.001 1.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.725 -15.413 -1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.515 -15.153 0.411 1.00 0.00 H new ATOM 190 N ARG A 15 10.853 -12.608 -4.411 1.00 0.00 N ATOM 191 CA ARG A 15 11.330 -12.929 -5.751 1.00 0.00 C ATOM 192 C ARG A 15 10.200 -12.816 -6.771 1.00 0.00 C ATOM 193 O ARG A 15 9.034 -13.042 -6.449 1.00 0.00 O ATOM 194 CB ARG A 15 11.919 -14.341 -5.781 1.00 0.00 C ATOM 195 CG ARG A 15 12.913 -14.610 -4.664 1.00 0.00 C ATOM 196 CD ARG A 15 14.330 -14.245 -5.079 1.00 0.00 C ATOM 197 NE ARG A 15 14.799 -15.057 -6.198 1.00 0.00 N ATOM 198 CZ ARG A 15 16.069 -15.117 -6.582 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.993 -14.417 -5.939 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.417 -15.880 -7.610 1.00 0.00 N ATOM 0 H ARG A 15 10.631 -13.421 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 15 12.108 -12.212 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.107 -15.066 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.412 -14.500 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.633 -14.037 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.874 -15.663 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.367 -13.191 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.001 -14.375 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 15 14.113 -15.609 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.729 -13.830 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.968 -14.465 -6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.709 -16.421 -8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.393 -15.925 -7.904 1.00 0.00 H new ATOM 214 N LYS A 16 10.555 -12.464 -8.002 1.00 0.00 N ATOM 215 CA LYS A 16 9.573 -12.320 -9.070 1.00 0.00 C ATOM 216 C LYS A 16 8.786 -13.612 -9.262 1.00 0.00 C ATOM 217 O LYS A 16 7.618 -13.586 -9.648 1.00 0.00 O ATOM 218 CB LYS A 16 10.266 -11.933 -10.379 1.00 0.00 C ATOM 219 CG LYS A 16 9.307 -11.467 -11.460 1.00 0.00 C ATOM 220 CD LYS A 16 8.866 -10.031 -11.233 1.00 0.00 C ATOM 221 CE LYS A 16 7.536 -9.742 -11.911 1.00 0.00 C ATOM 222 NZ LYS A 16 6.382 -10.037 -11.018 1.00 0.00 N ATOM 0 H LYS A 16 11.516 -12.273 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 16 8.878 -11.530 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.987 -11.140 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.829 -12.790 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.787 -11.551 -12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.433 -12.118 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.779 -9.841 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.626 -9.351 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.503 -8.695 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.454 -10.339 -12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.494 -9.827 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.399 -11.042 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.446 -9.449 -10.163 1.00 0.00 H new ATOM 236 N GLU A 17 9.433 -14.741 -8.988 1.00 0.00 N ATOM 237 CA GLU A 17 8.791 -16.043 -9.131 1.00 0.00 C ATOM 238 C GLU A 17 7.680 -16.217 -8.099 1.00 0.00 C ATOM 239 O GLU A 17 6.581 -16.666 -8.426 1.00 0.00 O ATOM 240 CB GLU A 17 9.822 -17.163 -8.981 1.00 0.00 C ATOM 241 CG GLU A 17 11.089 -16.937 -9.789 1.00 0.00 C ATOM 242 CD GLU A 17 12.133 -16.144 -9.027 1.00 0.00 C ATOM 243 OE1 GLU A 17 12.418 -16.502 -7.865 1.00 0.00 O ATOM 244 OE2 GLU A 17 12.666 -15.167 -9.593 1.00 0.00 O ATOM 0 H GLU A 17 10.400 -14.780 -8.666 1.00 0.00 H new ATOM 0 HA GLU A 17 8.350 -16.096 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.086 -17.264 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.369 -18.106 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.509 -17.901 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.839 -16.411 -10.710 1.00 0.00 H new ATOM 251 N CYS A 18 7.976 -15.861 -6.854 1.00 0.00 N ATOM 252 CA CYS A 18 7.004 -15.979 -5.774 1.00 0.00 C ATOM 253 C CYS A 18 5.922 -14.911 -5.897 1.00 0.00 C ATOM 254 O CYS A 18 4.794 -15.099 -5.437 1.00 0.00 O ATOM 255 CB CYS A 18 7.701 -15.863 -4.418 1.00 0.00 C ATOM 256 SG CYS A 18 9.199 -16.863 -4.269 1.00 0.00 S ATOM 0 H CYS A 18 8.881 -15.488 -6.568 1.00 0.00 H new ATOM 0 HA CYS A 18 6.532 -16.959 -5.849 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.956 -14.818 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.001 -16.158 -3.636 1.00 0.00 H new ATOM 0 HG CYS A 18 9.717 -16.696 -3.088 1.00 0.00 H new ATOM 262 N LEU A 19 6.272 -13.790 -6.517 1.00 0.00 N ATOM 263 CA LEU A 19 5.331 -12.690 -6.700 1.00 0.00 C ATOM 264 C LEU A 19 4.312 -13.020 -7.785 1.00 0.00 C ATOM 265 O LEU A 19 3.143 -12.649 -7.686 1.00 0.00 O ATOM 266 CB LEU A 19 6.081 -11.407 -7.061 1.00 0.00 C ATOM 267 CG LEU A 19 6.893 -10.764 -5.935 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.401 -9.395 -6.358 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.056 -10.657 -4.668 1.00 0.00 C ATOM 0 H LEU A 19 7.201 -13.618 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 19 4.798 -12.540 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.755 -11.625 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.357 -10.677 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 19 7.754 -11.399 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.976 -8.953 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.037 -9.499 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.555 -8.750 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.649 -10.197 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.176 -10.044 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.742 -11.653 -4.354 1.00 0.00 H new ATOM 281 N ALA A 20 4.763 -13.721 -8.820 1.00 0.00 N ATOM 282 CA ALA A 20 3.889 -14.105 -9.922 1.00 0.00 C ATOM 283 C ALA A 20 2.867 -15.144 -9.476 1.00 0.00 C ATOM 284 O ALA A 20 1.713 -15.118 -9.904 1.00 0.00 O ATOM 285 CB ALA A 20 4.711 -14.636 -11.087 1.00 0.00 C ATOM 0 H ALA A 20 5.729 -14.035 -8.919 1.00 0.00 H new ATOM 0 HA ALA A 20 3.347 -13.218 -10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.046 -14.919 -11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.398 -13.862 -11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.280 -15.508 -10.764 1.00 0.00 H new ATOM 291 N VAL A 21 3.297 -16.059 -8.613 1.00 0.00 N ATOM 292 CA VAL A 21 2.419 -17.107 -8.108 1.00 0.00 C ATOM 293 C VAL A 21 1.397 -16.543 -7.128 1.00 0.00 C ATOM 294 O VAL A 21 0.233 -16.943 -7.129 1.00 0.00 O ATOM 295 CB VAL A 21 3.219 -18.224 -7.412 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.312 -19.393 -7.063 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.374 -18.678 -8.292 1.00 0.00 C ATOM 0 H VAL A 21 4.249 -16.095 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 21 1.899 -17.526 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 21 3.632 -17.828 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.895 -20.172 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.523 -19.054 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.867 -19.793 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.929 -19.468 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.984 -19.057 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.037 -17.835 -8.485 1.00 0.00 H new ATOM 307 N MET A 22 1.840 -15.610 -6.291 1.00 0.00 N ATOM 308 CA MET A 22 0.963 -14.989 -5.305 1.00 0.00 C ATOM 309 C MET A 22 -0.185 -14.251 -5.988 1.00 0.00 C ATOM 310 O MET A 22 -1.322 -14.285 -5.518 1.00 0.00 O ATOM 311 CB MET A 22 1.755 -14.021 -4.425 1.00 0.00 C ATOM 312 CG MET A 22 2.445 -14.694 -3.250 1.00 0.00 C ATOM 313 SD MET A 22 2.832 -13.542 -1.918 1.00 0.00 S ATOM 314 CE MET A 22 4.474 -13.011 -2.396 1.00 0.00 C ATOM 0 H MET A 22 2.801 -15.268 -6.276 1.00 0.00 H new ATOM 0 HA MET A 22 0.544 -15.777 -4.679 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.504 -13.517 -5.036 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.081 -13.251 -4.048 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.805 -15.488 -2.864 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.365 -15.166 -3.596 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.975 -12.561 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.048 -13.871 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.400 -12.278 -3.199 1.00 0.00 H new ATOM 324 N GLU A 23 0.122 -13.585 -7.096 1.00 0.00 N ATOM 325 CA GLU A 23 -0.886 -12.838 -7.841 1.00 0.00 C ATOM 326 C GLU A 23 -1.964 -13.771 -8.384 1.00 0.00 C ATOM 327 O GLU A 23 -3.135 -13.402 -8.466 1.00 0.00 O ATOM 328 CB GLU A 23 -0.235 -12.069 -8.992 1.00 0.00 C ATOM 329 CG GLU A 23 0.251 -10.683 -8.601 1.00 0.00 C ATOM 330 CD GLU A 23 0.930 -9.958 -9.747 1.00 0.00 C ATOM 331 OE1 GLU A 23 0.220 -9.521 -10.677 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.171 -9.827 -9.713 1.00 0.00 O ATOM 0 H GLU A 23 1.059 -13.547 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.354 -12.129 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.608 -12.646 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.952 -11.977 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.595 -10.091 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.947 -10.768 -7.767 1.00 0.00 H new ATOM 339 N SER A 24 -1.559 -14.982 -8.753 1.00 0.00 N ATOM 340 CA SER A 24 -2.489 -15.968 -9.292 1.00 0.00 C ATOM 341 C SER A 24 -3.545 -16.342 -8.256 1.00 0.00 C ATOM 342 O SER A 24 -4.745 -16.282 -8.527 1.00 0.00 O ATOM 343 CB SER A 24 -1.734 -17.220 -9.742 1.00 0.00 C ATOM 344 OG SER A 24 -2.630 -18.221 -10.193 1.00 0.00 O ATOM 0 H SER A 24 -0.593 -15.304 -8.689 1.00 0.00 H new ATOM 0 HA SER A 24 -2.990 -15.526 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.040 -16.962 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.138 -17.606 -8.915 1.00 0.00 H new ATOM 0 HG SER A 24 -2.123 -19.010 -10.476 1.00 0.00 H new ATOM 350 N TYR A 25 -3.090 -16.728 -7.069 1.00 0.00 N ATOM 351 CA TYR A 25 -3.994 -17.115 -5.993 1.00 0.00 C ATOM 352 C TYR A 25 -4.847 -15.931 -5.546 1.00 0.00 C ATOM 353 O TYR A 25 -6.007 -16.095 -5.169 1.00 0.00 O ATOM 354 CB TYR A 25 -3.201 -17.663 -4.805 1.00 0.00 C ATOM 355 CG TYR A 25 -2.814 -19.117 -4.955 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.965 -19.529 -5.975 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.298 -20.079 -4.077 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.610 -20.856 -6.116 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.946 -21.409 -4.210 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.102 -21.792 -5.231 1.00 0.00 C ATOM 361 OH TYR A 25 -1.751 -23.116 -5.367 1.00 0.00 O ATOM 0 H TYR A 25 -2.100 -16.781 -6.828 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.655 -17.895 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.298 -17.067 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.794 -17.545 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.576 -18.799 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.960 -19.783 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.950 -21.159 -6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.330 -22.144 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.182 -23.643 -4.662 1.00 0.00 H new ATOM 371 N PHE A 26 -4.263 -14.739 -5.593 1.00 0.00 N ATOM 372 CA PHE A 26 -4.968 -13.526 -5.193 1.00 0.00 C ATOM 373 C PHE A 26 -6.127 -13.234 -6.141 1.00 0.00 C ATOM 374 O PHE A 26 -7.148 -12.680 -5.737 1.00 0.00 O ATOM 375 CB PHE A 26 -4.005 -12.337 -5.165 1.00 0.00 C ATOM 376 CG PHE A 26 -4.553 -11.140 -4.442 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.593 -10.402 -4.984 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.027 -10.751 -3.220 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.100 -9.300 -4.322 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.530 -9.650 -2.553 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.566 -8.923 -3.105 1.00 0.00 C ATOM 0 H PHE A 26 -3.304 -14.586 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.370 -13.682 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.074 -12.645 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.761 -12.053 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.013 -10.692 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.215 -11.314 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.912 -8.735 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.113 -9.358 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.958 -8.061 -2.586 1.00 0.00 H new ATOM 391 N ASN A 27 -5.960 -13.610 -7.405 1.00 0.00 N ATOM 392 CA ASN A 27 -6.991 -13.387 -8.411 1.00 0.00 C ATOM 393 C ASN A 27 -8.207 -14.271 -8.149 1.00 0.00 C ATOM 394 O ASN A 27 -9.345 -13.861 -8.376 1.00 0.00 O ATOM 395 CB ASN A 27 -6.437 -13.665 -9.810 1.00 0.00 C ATOM 396 CG ASN A 27 -5.731 -12.461 -10.402 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.022 -12.046 -11.524 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.796 -11.893 -9.648 1.00 0.00 N ATOM 0 H ASN A 27 -5.120 -14.070 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.302 -12.344 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.742 -14.503 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.253 -13.964 -10.468 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.287 -11.079 -9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.587 -12.270 -8.724 1.00 0.00 H new ATOM 405 N GLU A 28 -7.957 -15.486 -7.670 1.00 0.00 N ATOM 406 CA GLU A 28 -9.031 -16.427 -7.377 1.00 0.00 C ATOM 407 C GLU A 28 -9.616 -16.172 -5.991 1.00 0.00 C ATOM 408 O GLU A 28 -10.811 -16.358 -5.766 1.00 0.00 O ATOM 409 CB GLU A 28 -8.517 -17.866 -7.468 1.00 0.00 C ATOM 410 CG GLU A 28 -7.624 -18.268 -6.307 1.00 0.00 C ATOM 411 CD GLU A 28 -7.509 -19.772 -6.153 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.558 -20.450 -6.152 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.371 -20.272 -6.034 1.00 0.00 O ATOM 0 H GLU A 28 -7.020 -15.841 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.818 -16.282 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.369 -18.545 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.964 -17.987 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.630 -17.845 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.019 -17.841 -5.385 1.00 0.00 H new ATOM 420 N ASN A 29 -8.763 -15.744 -5.065 1.00 0.00 N ATOM 421 CA ASN A 29 -9.195 -15.463 -3.700 1.00 0.00 C ATOM 422 C ASN A 29 -8.266 -14.454 -3.033 1.00 0.00 C ATOM 423 O ASN A 29 -7.048 -14.630 -3.022 1.00 0.00 O ATOM 424 CB ASN A 29 -9.236 -16.755 -2.881 1.00 0.00 C ATOM 425 CG ASN A 29 -10.137 -16.640 -1.666 1.00 0.00 C ATOM 426 OD1 ASN A 29 -11.022 -15.787 -1.615 1.00 0.00 O ATOM 427 ND2 ASN A 29 -9.913 -17.502 -0.681 1.00 0.00 N ATOM 0 H ASN A 29 -7.770 -15.584 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.197 -15.035 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.585 -17.572 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.226 -17.010 -2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.487 -17.474 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.167 -18.193 -0.767 1.00 0.00 H new ATOM 434 N GLN A 30 -8.850 -13.397 -2.478 1.00 0.00 N ATOM 435 CA GLN A 30 -8.074 -12.360 -1.808 1.00 0.00 C ATOM 436 C GLN A 30 -7.477 -12.882 -0.506 1.00 0.00 C ATOM 437 O GLN A 30 -6.348 -12.543 -0.150 1.00 0.00 O ATOM 438 CB GLN A 30 -8.952 -11.139 -1.527 1.00 0.00 C ATOM 439 CG GLN A 30 -9.664 -10.605 -2.760 1.00 0.00 C ATOM 440 CD GLN A 30 -10.185 -9.194 -2.568 1.00 0.00 C ATOM 441 OE1 GLN A 30 -11.277 -8.990 -2.037 1.00 0.00 O ATOM 442 NE2 GLN A 30 -9.404 -8.211 -3.000 1.00 0.00 N ATOM 0 H GLN A 30 -9.857 -13.236 -2.479 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.258 -12.068 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.695 -11.402 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.334 -10.347 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.978 -10.623 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.495 -11.264 -3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.506 -8.426 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.702 -7.241 -2.898 1.00 0.00 H new ATOM 451 N TYR A 31 -8.241 -13.707 0.201 1.00 0.00 N ATOM 452 CA TYR A 31 -7.788 -14.274 1.466 1.00 0.00 C ATOM 453 C TYR A 31 -7.755 -15.797 1.399 1.00 0.00 C ATOM 454 O TYR A 31 -8.753 -16.477 1.643 1.00 0.00 O ATOM 455 CB TYR A 31 -8.701 -13.822 2.607 1.00 0.00 C ATOM 456 CG TYR A 31 -9.128 -12.375 2.504 1.00 0.00 C ATOM 457 CD1 TYR A 31 -9.962 -11.947 1.478 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.698 -11.436 3.434 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.353 -10.626 1.380 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.086 -10.113 3.344 1.00 0.00 C ATOM 461 CZ TYR A 31 -9.913 -9.713 2.315 1.00 0.00 C ATOM 462 OH TYR A 31 -10.303 -8.396 2.222 1.00 0.00 O ATOM 0 H TYR A 31 -9.177 -13.998 -0.080 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.776 -13.915 1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.589 -14.454 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.185 -13.973 3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.310 -12.659 0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.050 -11.746 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.000 -10.310 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.744 -9.396 4.075 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.907 -7.885 2.958 1.00 0.00 H new ATOM 472 N PRO A 32 -6.580 -16.348 1.062 1.00 0.00 N ATOM 473 CA PRO A 32 -6.386 -17.798 0.956 1.00 0.00 C ATOM 474 C PRO A 32 -6.432 -18.489 2.314 1.00 0.00 C ATOM 475 O PRO A 32 -5.734 -18.092 3.247 1.00 0.00 O ATOM 476 CB PRO A 32 -4.992 -17.925 0.338 1.00 0.00 C ATOM 477 CG PRO A 32 -4.291 -16.667 0.720 1.00 0.00 C ATOM 478 CD PRO A 32 -5.349 -15.599 0.758 1.00 0.00 C ATOM 0 HA PRO A 32 -7.172 -18.273 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.468 -18.801 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.048 -18.034 -0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.805 -16.770 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.512 -16.420 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.136 -14.850 1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.423 -15.073 -0.194 1.00 0.00 H new ATOM 486 N ASP A 33 -7.256 -19.525 2.418 1.00 0.00 N ATOM 487 CA ASP A 33 -7.391 -20.274 3.662 1.00 0.00 C ATOM 488 C ASP A 33 -6.037 -20.795 4.132 1.00 0.00 C ATOM 489 O ASP A 33 -5.018 -20.581 3.477 1.00 0.00 O ATOM 490 CB ASP A 33 -8.365 -21.439 3.479 1.00 0.00 C ATOM 491 CG ASP A 33 -9.736 -20.981 3.022 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.423 -20.291 3.804 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.122 -21.311 1.881 1.00 0.00 O ATOM 0 H ASP A 33 -7.841 -19.866 1.655 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.784 -19.599 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.957 -22.139 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.461 -21.980 4.420 1.00 0.00 H new ATOM 498 N GLU A 34 -6.036 -21.480 5.272 1.00 0.00 N ATOM 499 CA GLU A 34 -4.806 -22.030 5.830 1.00 0.00 C ATOM 500 C GLU A 34 -4.131 -22.971 4.836 1.00 0.00 C ATOM 501 O GLU A 34 -2.941 -22.841 4.552 1.00 0.00 O ATOM 502 CB GLU A 34 -5.099 -22.774 7.135 1.00 0.00 C ATOM 503 CG GLU A 34 -6.273 -22.200 7.911 1.00 0.00 C ATOM 504 CD GLU A 34 -6.222 -20.688 8.013 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.390 -20.174 8.790 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.013 -20.019 7.317 1.00 0.00 O ATOM 0 H GLU A 34 -6.872 -21.667 5.826 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.129 -21.201 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.300 -23.821 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.210 -22.749 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.203 -22.496 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.285 -22.628 8.913 1.00 0.00 H new ATOM 513 N ALA A 35 -4.901 -23.919 4.312 1.00 0.00 N ATOM 514 CA ALA A 35 -4.379 -24.882 3.350 1.00 0.00 C ATOM 515 C ALA A 35 -3.993 -24.197 2.043 1.00 0.00 C ATOM 516 O ALA A 35 -2.998 -24.554 1.412 1.00 0.00 O ATOM 517 CB ALA A 35 -5.402 -25.978 3.091 1.00 0.00 C ATOM 0 H ALA A 35 -5.888 -24.041 4.537 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.481 -25.332 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.998 -26.690 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.626 -26.494 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.315 -25.536 2.692 1.00 0.00 H new ATOM 523 N LYS A 36 -4.787 -23.211 1.640 1.00 0.00 N ATOM 524 CA LYS A 36 -4.530 -22.474 0.408 1.00 0.00 C ATOM 525 C LYS A 36 -3.204 -21.724 0.490 1.00 0.00 C ATOM 526 O LYS A 36 -2.458 -21.655 -0.486 1.00 0.00 O ATOM 527 CB LYS A 36 -5.669 -21.491 0.130 1.00 0.00 C ATOM 528 CG LYS A 36 -5.549 -20.785 -1.210 1.00 0.00 C ATOM 529 CD LYS A 36 -5.821 -21.734 -2.366 1.00 0.00 C ATOM 530 CE LYS A 36 -7.306 -21.810 -2.687 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.592 -22.806 -3.756 1.00 0.00 N ATOM 0 H LYS A 36 -5.615 -22.903 2.149 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.471 -23.192 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.617 -22.027 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.695 -20.744 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.252 -19.953 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.549 -20.363 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.274 -21.401 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.450 -22.728 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.859 -22.075 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.660 -20.828 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.614 -22.828 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.084 -22.539 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.277 -23.748 -3.446 1.00 0.00 H new ATOM 545 N ARG A 37 -2.918 -21.163 1.661 1.00 0.00 N ATOM 546 CA ARG A 37 -1.683 -20.418 1.870 1.00 0.00 C ATOM 547 C ARG A 37 -0.466 -21.322 1.690 1.00 0.00 C ATOM 548 O ARG A 37 0.494 -20.958 1.011 1.00 0.00 O ATOM 549 CB ARG A 37 -1.667 -19.795 3.267 1.00 0.00 C ATOM 550 CG ARG A 37 -2.388 -18.460 3.346 1.00 0.00 C ATOM 551 CD ARG A 37 -2.010 -17.696 4.606 1.00 0.00 C ATOM 552 NE ARG A 37 -2.871 -18.041 5.734 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.509 -17.903 7.004 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.308 -17.430 7.307 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.348 -18.239 7.975 1.00 0.00 N ATOM 0 H ARG A 37 -3.525 -21.211 2.479 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.638 -19.623 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.127 -20.489 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.633 -19.659 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.144 -17.861 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.465 -18.625 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.973 -17.911 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.076 -16.625 4.414 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.802 -18.408 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.659 -17.171 6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.033 -17.325 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.273 -18.604 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.068 -18.132 8.950 1.00 0.00 H new ATOM 569 N GLU A 38 -0.514 -22.500 2.305 1.00 0.00 N ATOM 570 CA GLU A 38 0.585 -23.453 2.214 1.00 0.00 C ATOM 571 C GLU A 38 0.750 -23.958 0.783 1.00 0.00 C ATOM 572 O GLU A 38 1.866 -24.208 0.328 1.00 0.00 O ATOM 573 CB GLU A 38 0.345 -24.633 3.158 1.00 0.00 C ATOM 574 CG GLU A 38 0.703 -24.337 4.605 1.00 0.00 C ATOM 575 CD GLU A 38 0.088 -25.330 5.573 1.00 0.00 C ATOM 576 OE1 GLU A 38 0.114 -26.543 5.274 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.419 -24.896 6.628 1.00 0.00 O ATOM 0 H GLU A 38 -1.302 -22.816 2.871 1.00 0.00 H new ATOM 0 HA GLU A 38 1.501 -22.941 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.704 -24.923 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.930 -25.487 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.787 -24.350 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.368 -23.332 4.860 1.00 0.00 H new ATOM 584 N GLU A 39 -0.369 -24.106 0.081 1.00 0.00 N ATOM 585 CA GLU A 39 -0.348 -24.582 -1.297 1.00 0.00 C ATOM 586 C GLU A 39 0.338 -23.572 -2.211 1.00 0.00 C ATOM 587 O GLU A 39 1.184 -23.934 -3.030 1.00 0.00 O ATOM 588 CB GLU A 39 -1.772 -24.848 -1.790 1.00 0.00 C ATOM 589 CG GLU A 39 -1.841 -25.816 -2.959 1.00 0.00 C ATOM 590 CD GLU A 39 -1.436 -27.225 -2.574 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.218 -27.499 -2.523 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.335 -28.055 -2.324 1.00 0.00 O ATOM 0 H GLU A 39 -1.301 -23.903 0.444 1.00 0.00 H new ATOM 0 HA GLU A 39 0.218 -25.513 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.365 -25.244 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.228 -23.903 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.856 -25.829 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.191 -25.461 -3.759 1.00 0.00 H new ATOM 599 N ILE A 40 -0.032 -22.304 -2.066 1.00 0.00 N ATOM 600 CA ILE A 40 0.547 -21.241 -2.878 1.00 0.00 C ATOM 601 C ILE A 40 2.001 -20.988 -2.495 1.00 0.00 C ATOM 602 O ILE A 40 2.827 -20.648 -3.342 1.00 0.00 O ATOM 603 CB ILE A 40 -0.246 -19.929 -2.737 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.134 -18.955 -3.854 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.005 -19.302 -1.373 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.288 -18.045 -3.497 1.00 0.00 C ATOM 0 H ILE A 40 -0.731 -21.988 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 40 0.499 -21.574 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.309 -20.154 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.393 -19.523 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.734 -18.346 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.563 -18.375 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.310 -19.993 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.068 -19.088 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.502 -17.382 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.025 -17.450 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.170 -18.646 -3.275 1.00 0.00 H new ATOM 618 N ALA A 41 2.307 -21.156 -1.212 1.00 0.00 N ATOM 619 CA ALA A 41 3.662 -20.949 -0.717 1.00 0.00 C ATOM 620 C ALA A 41 4.605 -22.034 -1.227 1.00 0.00 C ATOM 621 O ALA A 41 5.722 -21.748 -1.655 1.00 0.00 O ATOM 622 CB ALA A 41 3.669 -20.914 0.804 1.00 0.00 C ATOM 0 H ALA A 41 1.635 -21.435 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 41 4.017 -19.989 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.688 -20.759 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.035 -20.099 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.290 -21.860 1.191 1.00 0.00 H new ATOM 628 N ASN A 42 4.147 -23.281 -1.177 1.00 0.00 N ATOM 629 CA ASN A 42 4.951 -24.409 -1.633 1.00 0.00 C ATOM 630 C ASN A 42 5.364 -24.229 -3.090 1.00 0.00 C ATOM 631 O ASN A 42 6.474 -24.588 -3.480 1.00 0.00 O ATOM 632 CB ASN A 42 4.172 -25.716 -1.469 1.00 0.00 C ATOM 633 CG ASN A 42 4.252 -26.263 -0.057 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.623 -27.418 0.153 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.902 -25.434 0.919 1.00 0.00 N ATOM 0 H ASN A 42 3.224 -23.536 -0.825 1.00 0.00 H new ATOM 0 HA ASN A 42 5.852 -24.452 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.128 -25.549 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.562 -26.458 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.934 -25.746 1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.601 -24.485 0.698 1.00 0.00 H new ATOM 642 N ALA A 43 4.461 -23.670 -3.890 1.00 0.00 N ATOM 643 CA ALA A 43 4.732 -23.440 -5.304 1.00 0.00 C ATOM 644 C ALA A 43 5.823 -22.391 -5.490 1.00 0.00 C ATOM 645 O ALA A 43 6.639 -22.486 -6.407 1.00 0.00 O ATOM 646 CB ALA A 43 3.460 -23.015 -6.023 1.00 0.00 C ATOM 0 H ALA A 43 3.536 -23.368 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 43 5.086 -24.375 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.677 -22.847 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.709 -23.799 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.081 -22.094 -5.579 1.00 0.00 H new ATOM 652 N CYS A 44 5.830 -21.391 -4.616 1.00 0.00 N ATOM 653 CA CYS A 44 6.821 -20.322 -4.685 1.00 0.00 C ATOM 654 C CYS A 44 8.220 -20.858 -4.401 1.00 0.00 C ATOM 655 O CYS A 44 9.195 -20.437 -5.022 1.00 0.00 O ATOM 656 CB CYS A 44 6.475 -19.212 -3.691 1.00 0.00 C ATOM 657 SG CYS A 44 5.001 -18.261 -4.130 1.00 0.00 S ATOM 0 H CYS A 44 5.161 -21.298 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 44 6.807 -19.912 -5.695 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.329 -19.654 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.323 -18.532 -3.613 1.00 0.00 H new ATOM 0 HG CYS A 44 4.789 -17.348 -3.229 1.00 0.00 H new ATOM 663 N ASN A 45 8.311 -21.788 -3.456 1.00 0.00 N ATOM 664 CA ASN A 45 9.592 -22.381 -3.088 1.00 0.00 C ATOM 665 C ASN A 45 10.144 -23.234 -4.226 1.00 0.00 C ATOM 666 O ASN A 45 11.356 -23.323 -4.416 1.00 0.00 O ATOM 667 CB ASN A 45 9.439 -23.231 -1.825 1.00 0.00 C ATOM 668 CG ASN A 45 9.382 -22.390 -0.565 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.053 -21.363 -0.459 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.577 -22.823 0.399 1.00 0.00 N ATOM 0 H ASN A 45 7.514 -22.147 -2.931 1.00 0.00 H new ATOM 0 HA ASN A 45 10.296 -21.572 -2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.531 -23.829 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.274 -23.928 -1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.497 -22.299 1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.039 -23.680 0.268 1.00 0.00 H new ATOM 677 N ALA A 46 9.245 -23.859 -4.980 1.00 0.00 N ATOM 678 CA ALA A 46 9.642 -24.702 -6.100 1.00 0.00 C ATOM 679 C ALA A 46 10.183 -23.864 -7.254 1.00 0.00 C ATOM 680 O ALA A 46 11.242 -24.162 -7.807 1.00 0.00 O ATOM 681 CB ALA A 46 8.466 -25.549 -6.566 1.00 0.00 C ATOM 0 H ALA A 46 8.237 -23.797 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 46 10.440 -25.363 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.777 -26.174 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.127 -26.183 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.651 -24.898 -6.882 1.00 0.00 H new ATOM 687 N VAL A 47 9.449 -22.816 -7.613 1.00 0.00 N ATOM 688 CA VAL A 47 9.855 -21.935 -8.700 1.00 0.00 C ATOM 689 C VAL A 47 11.229 -21.330 -8.434 1.00 0.00 C ATOM 690 O VAL A 47 12.004 -21.091 -9.361 1.00 0.00 O ATOM 691 CB VAL A 47 8.838 -20.798 -8.912 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.563 -21.332 -9.547 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.535 -20.102 -7.593 1.00 0.00 C ATOM 0 H VAL A 47 8.569 -22.557 -7.166 1.00 0.00 H new ATOM 0 HA VAL A 47 9.899 -22.546 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 47 9.275 -20.066 -9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.857 -20.514 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.798 -21.780 -10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.120 -22.085 -8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.815 -19.301 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.119 -20.822 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.454 -19.683 -7.183 1.00 0.00 H new ATOM 703 N ILE A 48 11.524 -21.084 -7.162 1.00 0.00 N ATOM 704 CA ILE A 48 12.805 -20.508 -6.773 1.00 0.00 C ATOM 705 C ILE A 48 13.818 -21.597 -6.437 1.00 0.00 C ATOM 706 O ILE A 48 15.027 -21.381 -6.522 1.00 0.00 O ATOM 707 CB ILE A 48 12.656 -19.569 -5.561 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.302 -20.372 -4.307 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.597 -18.513 -5.837 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.445 -19.584 -3.024 1.00 0.00 C ATOM 0 H ILE A 48 10.893 -21.275 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 48 13.164 -19.932 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 48 13.607 -19.065 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.276 -20.729 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.943 -21.252 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.503 -17.857 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.887 -17.925 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.640 -18.999 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.178 -20.216 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.477 -19.249 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.784 -18.718 -3.053 1.00 0.00 H new ATOM 722 N GLN A 49 13.316 -22.767 -6.056 1.00 0.00 N ATOM 723 CA GLN A 49 14.177 -23.891 -5.708 1.00 0.00 C ATOM 724 C GLN A 49 15.009 -24.331 -6.909 1.00 0.00 C ATOM 725 O GLN A 49 14.469 -24.657 -7.966 1.00 0.00 O ATOM 726 CB GLN A 49 13.340 -25.064 -5.196 1.00 0.00 C ATOM 727 CG GLN A 49 14.111 -26.371 -5.110 1.00 0.00 C ATOM 728 CD GLN A 49 15.276 -26.299 -4.142 1.00 0.00 C ATOM 729 OE1 GLN A 49 15.962 -25.281 -4.054 1.00 0.00 O ATOM 730 NE2 GLN A 49 15.505 -27.383 -3.410 1.00 0.00 N ATOM 0 H GLN A 49 12.318 -22.961 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 49 14.854 -23.566 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.949 -24.817 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.482 -25.201 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.435 -27.168 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.482 -26.635 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.910 -28.205 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.275 -27.394 -2.742 1.00 0.00 H new ATOM 739 N LYS A 50 16.327 -24.339 -6.738 1.00 0.00 N ATOM 740 CA LYS A 50 17.235 -24.740 -7.806 1.00 0.00 C ATOM 741 C LYS A 50 17.571 -26.224 -7.706 1.00 0.00 C ATOM 742 O LYS A 50 17.570 -26.814 -6.626 1.00 0.00 O ATOM 743 CB LYS A 50 18.519 -23.910 -7.750 1.00 0.00 C ATOM 744 CG LYS A 50 18.274 -22.414 -7.666 1.00 0.00 C ATOM 745 CD LYS A 50 17.903 -21.833 -9.020 1.00 0.00 C ATOM 746 CE LYS A 50 16.397 -21.845 -9.238 1.00 0.00 C ATOM 747 NZ LYS A 50 15.759 -20.584 -8.769 1.00 0.00 N ATOM 0 H LYS A 50 16.790 -24.072 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 50 16.736 -24.562 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.106 -24.222 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.118 -24.122 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.475 -22.215 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.169 -21.918 -7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.274 -20.811 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.391 -22.406 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.185 -21.987 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.960 -22.692 -8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.802 -20.509 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.701 -20.590 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.328 -19.771 -9.079 1.00 0.00 H new ATOM 761 N PRO A 51 17.867 -26.844 -8.858 1.00 0.00 N ATOM 762 CA PRO A 51 18.212 -28.267 -8.926 1.00 0.00 C ATOM 763 C PRO A 51 19.572 -28.564 -8.304 1.00 0.00 C ATOM 764 O PRO A 51 20.572 -27.933 -8.644 1.00 0.00 O ATOM 765 CB PRO A 51 18.238 -28.555 -10.429 1.00 0.00 C ATOM 766 CG PRO A 51 18.533 -27.239 -11.062 1.00 0.00 C ATOM 767 CD PRO A 51 17.887 -26.203 -10.184 1.00 0.00 C ATOM 0 HA PRO A 51 17.505 -28.884 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.000 -29.293 -10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.284 -28.954 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.608 -27.073 -11.135 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.134 -27.195 -12.075 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.457 -25.274 -10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.882 -25.956 -10.526 1.00 0.00 H new ATOM 775 N GLY A 52 19.602 -29.528 -7.389 1.00 0.00 N ATOM 776 CA GLY A 52 20.845 -29.892 -6.734 1.00 0.00 C ATOM 777 C GLY A 52 21.276 -28.870 -5.701 1.00 0.00 C ATOM 778 O GLY A 52 22.396 -28.923 -5.193 1.00 0.00 O ATOM 0 H GLY A 52 18.787 -30.064 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.728 -30.863 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.629 -30.000 -7.483 1.00 0.00 H new ATOM 782 N LYS A 53 20.385 -27.935 -5.388 1.00 0.00 N ATOM 783 CA LYS A 53 20.678 -26.895 -4.409 1.00 0.00 C ATOM 784 C LYS A 53 19.667 -26.923 -3.267 1.00 0.00 C ATOM 785 O LYS A 53 18.524 -27.346 -3.446 1.00 0.00 O ATOM 786 CB LYS A 53 20.670 -25.519 -5.078 1.00 0.00 C ATOM 787 CG LYS A 53 21.604 -24.517 -4.420 1.00 0.00 C ATOM 788 CD LYS A 53 20.902 -23.739 -3.321 1.00 0.00 C ATOM 789 CE LYS A 53 20.256 -22.471 -3.860 1.00 0.00 C ATOM 790 NZ LYS A 53 21.243 -21.367 -4.012 1.00 0.00 N ATOM 0 H LYS A 53 19.453 -27.876 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 53 21.669 -27.086 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 53 20.951 -25.632 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.655 -25.122 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.465 -25.040 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.984 -23.825 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.141 -24.368 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.619 -23.480 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.794 -22.681 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.459 -22.155 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.764 -20.521 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 21.665 -21.149 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 21.990 -21.658 -4.674 1.00 0.00 H new ATOM 804 N LYS A 54 20.093 -26.468 -2.094 1.00 0.00 N ATOM 805 CA LYS A 54 19.225 -26.438 -0.923 1.00 0.00 C ATOM 806 C LYS A 54 18.638 -25.045 -0.717 1.00 0.00 C ATOM 807 O LYS A 54 19.348 -24.042 -0.800 1.00 0.00 O ATOM 808 CB LYS A 54 20.001 -26.866 0.324 1.00 0.00 C ATOM 809 CG LYS A 54 19.152 -27.598 1.348 1.00 0.00 C ATOM 810 CD LYS A 54 18.295 -26.636 2.153 1.00 0.00 C ATOM 811 CE LYS A 54 19.032 -26.128 3.383 1.00 0.00 C ATOM 812 NZ LYS A 54 19.802 -24.887 3.095 1.00 0.00 N ATOM 0 H LYS A 54 21.035 -26.114 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 54 18.406 -27.137 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 54 20.828 -27.509 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.437 -25.983 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.512 -28.320 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.798 -28.162 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.007 -25.792 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.375 -27.135 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.316 -25.934 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.710 -26.901 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 19.990 -24.381 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.704 -25.136 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.251 -24.276 2.459 1.00 0.00 H new ATOM 826 N LEU A 55 17.339 -24.990 -0.445 1.00 0.00 N ATOM 827 CA LEU A 55 16.656 -23.719 -0.225 1.00 0.00 C ATOM 828 C LEU A 55 17.107 -23.079 1.084 1.00 0.00 C ATOM 829 O LEU A 55 17.381 -23.772 2.064 1.00 0.00 O ATOM 830 CB LEU A 55 15.141 -23.928 -0.209 1.00 0.00 C ATOM 831 CG LEU A 55 14.446 -23.907 -1.571 1.00 0.00 C ATOM 832 CD1 LEU A 55 12.977 -24.269 -1.426 1.00 0.00 C ATOM 833 CD2 LEU A 55 14.599 -22.543 -2.227 1.00 0.00 C ATOM 0 H LEU A 55 16.737 -25.810 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 55 16.915 -23.048 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.931 -24.885 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.694 -23.155 0.416 1.00 0.00 H new ATOM 0 HG LEU A 55 14.921 -24.651 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.499 -24.249 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.889 -25.268 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.488 -23.550 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.098 -22.547 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.151 -21.780 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.657 -22.323 -2.367 1.00 0.00 H new ATOM 845 N SER A 56 17.180 -21.752 1.094 1.00 0.00 N ATOM 846 CA SER A 56 17.598 -21.018 2.282 1.00 0.00 C ATOM 847 C SER A 56 16.396 -20.402 2.992 1.00 0.00 C ATOM 848 O SER A 56 15.429 -19.988 2.352 1.00 0.00 O ATOM 849 CB SER A 56 18.598 -19.923 1.905 1.00 0.00 C ATOM 850 OG SER A 56 19.342 -20.286 0.755 1.00 0.00 O ATOM 0 H SER A 56 16.955 -21.163 0.292 1.00 0.00 H new ATOM 0 HA SER A 56 18.079 -21.721 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.067 -18.990 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.276 -19.743 2.739 1.00 0.00 H new ATOM 0 HG SER A 56 19.973 -19.569 0.534 1.00 0.00 H new ATOM 856 N ASP A 57 16.465 -20.345 4.317 1.00 0.00 N ATOM 857 CA ASP A 57 15.384 -19.780 5.115 1.00 0.00 C ATOM 858 C ASP A 57 15.052 -18.363 4.655 1.00 0.00 C ATOM 859 O ASP A 57 13.961 -17.854 4.914 1.00 0.00 O ATOM 860 CB ASP A 57 15.765 -19.772 6.597 1.00 0.00 C ATOM 861 CG ASP A 57 16.760 -18.679 6.933 1.00 0.00 C ATOM 862 OD1 ASP A 57 16.341 -17.508 7.045 1.00 0.00 O ATOM 863 OD2 ASP A 57 17.959 -18.995 7.084 1.00 0.00 O ATOM 0 H ASP A 57 17.259 -20.683 4.861 1.00 0.00 H new ATOM 0 HA ASP A 57 14.501 -20.404 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.866 -19.639 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.188 -20.740 6.866 1.00 0.00 H new ATOM 868 N LEU A 58 16.001 -17.731 3.973 1.00 0.00 N ATOM 869 CA LEU A 58 15.811 -16.373 3.477 1.00 0.00 C ATOM 870 C LEU A 58 14.842 -16.353 2.300 1.00 0.00 C ATOM 871 O LEU A 58 14.062 -15.415 2.141 1.00 0.00 O ATOM 872 CB LEU A 58 17.152 -15.769 3.059 1.00 0.00 C ATOM 873 CG LEU A 58 18.373 -16.230 3.855 1.00 0.00 C ATOM 874 CD1 LEU A 58 19.552 -15.300 3.611 1.00 0.00 C ATOM 875 CD2 LEU A 58 18.046 -16.301 5.340 1.00 0.00 C ATOM 0 H LEU A 58 16.910 -18.138 3.751 1.00 0.00 H new ATOM 0 HA LEU A 58 15.386 -15.775 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.320 -16.001 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.080 -14.684 3.139 1.00 0.00 H new ATOM 0 HG LEU A 58 18.648 -17.229 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 20.412 -15.644 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 58 19.802 -15.300 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.289 -14.289 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.927 -16.631 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 58 17.745 -15.315 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.232 -17.008 5.500 1.00 0.00 H new ATOM 887 N GLU A 59 14.896 -17.397 1.478 1.00 0.00 N ATOM 888 CA GLU A 59 14.022 -17.500 0.316 1.00 0.00 C ATOM 889 C GLU A 59 12.775 -18.317 0.643 1.00 0.00 C ATOM 890 O GLU A 59 11.735 -18.167 0.001 1.00 0.00 O ATOM 891 CB GLU A 59 14.769 -18.137 -0.858 1.00 0.00 C ATOM 892 CG GLU A 59 16.064 -17.426 -1.213 1.00 0.00 C ATOM 893 CD GLU A 59 16.428 -17.573 -2.678 1.00 0.00 C ATOM 894 OE1 GLU A 59 15.842 -16.849 -3.510 1.00 0.00 O ATOM 895 OE2 GLU A 59 17.298 -18.412 -2.991 1.00 0.00 O ATOM 0 H GLU A 59 15.536 -18.183 1.596 1.00 0.00 H new ATOM 0 HA GLU A 59 13.713 -16.493 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.990 -19.177 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.117 -18.144 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.971 -16.367 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.873 -17.824 -0.600 1.00 0.00 H new ATOM 902 N ARG A 60 12.888 -19.181 1.646 1.00 0.00 N ATOM 903 CA ARG A 60 11.771 -20.024 2.057 1.00 0.00 C ATOM 904 C ARG A 60 10.503 -19.195 2.237 1.00 0.00 C ATOM 905 O ARG A 60 10.502 -18.185 2.941 1.00 0.00 O ATOM 906 CB ARG A 60 12.107 -20.751 3.361 1.00 0.00 C ATOM 907 CG ARG A 60 11.304 -22.024 3.572 1.00 0.00 C ATOM 908 CD ARG A 60 11.971 -22.941 4.585 1.00 0.00 C ATOM 909 NE ARG A 60 11.866 -22.423 5.946 1.00 0.00 N ATOM 910 CZ ARG A 60 11.971 -23.181 7.032 1.00 0.00 C ATOM 911 NH1 ARG A 60 12.182 -24.485 6.916 1.00 0.00 N ATOM 912 NH2 ARG A 60 11.864 -22.635 8.237 1.00 0.00 N ATOM 0 H ARG A 60 13.741 -19.316 2.189 1.00 0.00 H new ATOM 0 HA ARG A 60 11.595 -20.760 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.169 -20.996 3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.930 -20.077 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.301 -21.770 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.194 -22.548 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.512 -23.929 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.022 -23.065 4.325 1.00 0.00 H new ATOM 0 HE ARG A 60 11.703 -21.424 6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.264 -24.908 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.262 -25.065 7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.701 -21.632 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.945 -23.218 9.070 1.00 0.00 H new ATOM 926 N VAL A 61 9.423 -19.629 1.594 1.00 0.00 N ATOM 927 CA VAL A 61 8.147 -18.929 1.683 1.00 0.00 C ATOM 928 C VAL A 61 7.125 -19.746 2.465 1.00 0.00 C ATOM 929 O VAL A 61 6.440 -20.604 1.907 1.00 0.00 O ATOM 930 CB VAL A 61 7.579 -18.618 0.285 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.197 -17.994 0.398 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.524 -17.707 -0.483 1.00 0.00 C ATOM 0 H VAL A 61 9.407 -20.462 1.006 1.00 0.00 H new ATOM 0 HA VAL A 61 8.336 -17.992 2.207 1.00 0.00 H new ATOM 0 HB VAL A 61 7.485 -19.553 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.811 -17.781 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.526 -18.686 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.262 -17.067 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.107 -17.498 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.652 -16.772 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.491 -18.197 -0.595 1.00 0.00 H new ATOM 942 N THR A 62 7.026 -19.473 3.763 1.00 0.00 N ATOM 943 CA THR A 62 6.087 -20.183 4.623 1.00 0.00 C ATOM 944 C THR A 62 4.670 -19.650 4.448 1.00 0.00 C ATOM 945 O THR A 62 4.449 -18.666 3.743 1.00 0.00 O ATOM 946 CB THR A 62 6.488 -20.068 6.106 1.00 0.00 C ATOM 947 OG1 THR A 62 6.397 -18.704 6.533 1.00 0.00 O ATOM 948 CG2 THR A 62 7.903 -20.581 6.326 1.00 0.00 C ATOM 0 H THR A 62 7.584 -18.766 4.241 1.00 0.00 H new ATOM 0 HA THR A 62 6.116 -21.231 4.326 1.00 0.00 H new ATOM 0 HB THR A 62 5.803 -20.679 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.652 -18.639 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.163 -20.490 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.961 -21.628 6.027 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.600 -19.994 5.728 1.00 0.00 H new ATOM 956 N SER A 63 3.712 -20.306 5.095 1.00 0.00 N ATOM 957 CA SER A 63 2.314 -19.899 5.008 1.00 0.00 C ATOM 958 C SER A 63 2.123 -18.490 5.562 1.00 0.00 C ATOM 959 O SER A 63 1.358 -17.695 5.015 1.00 0.00 O ATOM 960 CB SER A 63 1.426 -20.884 5.772 1.00 0.00 C ATOM 961 OG SER A 63 1.501 -20.660 7.169 1.00 0.00 O ATOM 0 H SER A 63 3.878 -21.121 5.685 1.00 0.00 H new ATOM 0 HA SER A 63 2.025 -19.900 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.393 -20.781 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.733 -21.905 5.547 1.00 0.00 H new ATOM 0 HG SER A 63 0.924 -21.301 7.634 1.00 0.00 H new ATOM 967 N LEU A 64 2.824 -18.188 6.649 1.00 0.00 N ATOM 968 CA LEU A 64 2.733 -16.875 7.278 1.00 0.00 C ATOM 969 C LEU A 64 3.267 -15.789 6.350 1.00 0.00 C ATOM 970 O LEU A 64 2.680 -14.713 6.233 1.00 0.00 O ATOM 971 CB LEU A 64 3.510 -16.864 8.595 1.00 0.00 C ATOM 972 CG LEU A 64 3.719 -15.493 9.239 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.382 -14.841 9.554 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.563 -15.619 10.500 1.00 0.00 C ATOM 0 H LEU A 64 3.462 -18.835 7.113 1.00 0.00 H new ATOM 0 HA LEU A 64 1.682 -16.669 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.987 -17.502 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.487 -17.314 8.421 1.00 0.00 H new ATOM 0 HG LEU A 64 4.251 -14.858 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.551 -13.866 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.813 -14.715 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.822 -15.473 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.702 -14.634 10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.058 -16.271 11.212 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.535 -16.043 10.247 1.00 0.00 H new ATOM 986 N LYS A 65 4.384 -16.078 5.691 1.00 0.00 N ATOM 987 CA LYS A 65 4.997 -15.128 4.770 1.00 0.00 C ATOM 988 C LYS A 65 4.025 -14.741 3.660 1.00 0.00 C ATOM 989 O LYS A 65 3.964 -13.582 3.250 1.00 0.00 O ATOM 990 CB LYS A 65 6.270 -15.723 4.163 1.00 0.00 C ATOM 991 CG LYS A 65 7.520 -15.448 4.981 1.00 0.00 C ATOM 992 CD LYS A 65 8.778 -15.587 4.140 1.00 0.00 C ATOM 993 CE LYS A 65 10.017 -15.728 5.011 1.00 0.00 C ATOM 994 NZ LYS A 65 10.603 -14.405 5.361 1.00 0.00 N ATOM 0 H LYS A 65 4.884 -16.963 5.778 1.00 0.00 H new ATOM 0 HA LYS A 65 5.255 -14.231 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.144 -16.801 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.407 -15.320 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.469 -14.442 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.565 -16.140 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.688 -16.457 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.883 -14.716 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.760 -16.264 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.762 -16.328 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.604 -14.525 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.529 -13.765 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.086 -13.999 6.167 1.00 0.00 H new ATOM 1008 N VAL A 66 3.265 -15.720 3.177 1.00 0.00 N ATOM 1009 CA VAL A 66 2.293 -15.481 2.117 1.00 0.00 C ATOM 1010 C VAL A 66 1.196 -14.529 2.580 1.00 0.00 C ATOM 1011 O VAL A 66 0.775 -13.642 1.838 1.00 0.00 O ATOM 1012 CB VAL A 66 1.649 -16.796 1.639 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.603 -16.520 0.570 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.713 -17.753 1.122 1.00 0.00 C ATOM 0 H VAL A 66 3.304 -16.686 3.503 1.00 0.00 H new ATOM 0 HA VAL A 66 2.836 -15.028 1.287 1.00 0.00 H new ATOM 0 HB VAL A 66 1.151 -17.266 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.159 -17.461 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.174 -15.874 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.074 -16.027 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.240 -18.677 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.241 -17.293 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.421 -17.975 1.920 1.00 0.00 H new ATOM 1024 N TYR A 67 0.738 -14.719 3.813 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.312 -13.878 4.376 1.00 0.00 C ATOM 1026 C TYR A 67 0.162 -12.435 4.515 1.00 0.00 C ATOM 1027 O TYR A 67 -0.609 -11.496 4.322 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.750 -14.417 5.739 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.946 -13.697 6.319 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.191 -13.772 5.707 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.830 -12.942 7.480 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.286 -13.115 6.234 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.920 -12.283 8.014 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.146 -12.371 7.387 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.234 -11.716 7.916 1.00 0.00 O ATOM 0 H TYR A 67 1.077 -15.448 4.441 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.163 -13.898 3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.986 -15.477 5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.084 -14.339 6.436 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.305 -14.354 4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.872 -12.869 7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.247 -13.184 5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.813 -11.702 8.918 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.965 -11.239 8.729 1.00 0.00 H new ATOM 1045 N ASN A 68 1.436 -12.267 4.852 1.00 0.00 N ATOM 1046 CA ASN A 68 2.015 -10.939 5.018 1.00 0.00 C ATOM 1047 C ASN A 68 1.986 -10.165 3.703 1.00 0.00 C ATOM 1048 O ASN A 68 1.637 -8.985 3.674 1.00 0.00 O ATOM 1049 CB ASN A 68 3.453 -11.046 5.528 1.00 0.00 C ATOM 1050 CG ASN A 68 3.527 -11.107 7.041 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.905 -10.304 7.737 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.292 -12.062 7.558 1.00 0.00 N ATOM 0 H ASN A 68 2.088 -13.034 5.016 1.00 0.00 H new ATOM 0 HA ASN A 68 1.417 -10.398 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.919 -11.937 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.026 -10.189 5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.382 -12.152 8.570 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.790 -12.706 6.943 1.00 0.00 H new ATOM 1059 N TRP A 69 2.354 -10.838 2.619 1.00 0.00 N ATOM 1060 CA TRP A 69 2.369 -10.214 1.301 1.00 0.00 C ATOM 1061 C TRP A 69 0.953 -9.910 0.826 1.00 0.00 C ATOM 1062 O TRP A 69 0.677 -8.822 0.320 1.00 0.00 O ATOM 1063 CB TRP A 69 3.075 -11.122 0.292 1.00 0.00 C ATOM 1064 CG TRP A 69 3.124 -10.547 -1.091 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.159 -9.859 -1.657 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.093 -10.610 -2.082 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.833 -9.490 -2.940 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.571 -9.940 -3.225 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.813 -11.170 -2.116 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.813 -9.814 -4.386 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.061 -11.044 -3.269 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.563 -10.371 -4.391 1.00 0.00 C ATOM 0 H TRP A 69 2.646 -11.815 2.627 1.00 0.00 H new ATOM 0 HA TRP A 69 2.916 -9.274 1.378 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.092 -11.313 0.635 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.564 -12.084 0.260 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.096 -9.637 -1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.433 -8.966 -3.577 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.418 -11.692 -1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.198 -9.295 -5.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.930 -11.471 -3.306 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.049 -10.290 -5.277 1.00 0.00 H new ATOM 1083 N PHE A 70 0.058 -10.878 0.991 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.331 -10.714 0.578 1.00 0.00 C ATOM 1085 C PHE A 70 -1.991 -9.564 1.333 1.00 0.00 C ATOM 1086 O PHE A 70 -2.707 -8.752 0.747 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.112 -12.008 0.814 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.094 -12.942 -0.363 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.918 -13.561 -0.754 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.253 -13.201 -1.077 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.898 -14.422 -1.836 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.239 -14.061 -2.159 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.059 -14.671 -2.540 1.00 0.00 C ATOM 0 H PHE A 70 0.270 -11.785 1.408 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.342 -10.480 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.696 -12.521 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.146 -11.760 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.006 -13.369 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.178 -12.726 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.025 -14.899 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.149 -14.256 -2.706 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.045 -15.341 -3.387 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.744 -9.501 2.637 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.312 -8.451 3.473 1.00 0.00 C ATOM 1105 C ALA A 71 -1.884 -7.070 2.985 1.00 0.00 C ATOM 1106 O ALA A 71 -2.659 -6.116 3.038 1.00 0.00 O ATOM 1107 CB ALA A 71 -1.901 -8.651 4.924 1.00 0.00 C ATOM 0 H ALA A 71 -1.154 -10.165 3.138 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.398 -8.512 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.332 -7.859 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.261 -9.618 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.814 -8.619 5.002 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.646 -6.972 2.512 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.116 -5.707 2.017 1.00 0.00 C ATOM 1115 C ASN A 72 -0.811 -5.295 0.723 1.00 0.00 C ATOM 1116 O ASN A 72 -1.080 -4.115 0.499 1.00 0.00 O ATOM 1117 CB ASN A 72 1.393 -5.819 1.785 1.00 0.00 C ATOM 1118 CG ASN A 72 2.092 -4.476 1.877 1.00 0.00 C ATOM 1119 OD1 ASN A 72 2.582 -4.090 2.938 1.00 0.00 O ATOM 1120 ND2 ASN A 72 2.142 -3.758 0.761 1.00 0.00 N ATOM 0 H ASN A 72 0.008 -7.753 2.461 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.306 -4.942 2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.822 -6.500 2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.576 -6.254 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.600 -2.847 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.722 -4.118 -0.096 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.099 -6.277 -0.126 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.763 -6.016 -1.398 1.00 0.00 C ATOM 1129 C ARG A 73 -3.209 -5.582 -1.178 1.00 0.00 C ATOM 1130 O ARG A 73 -3.665 -4.595 -1.755 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.723 -7.264 -2.283 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.711 -7.223 -3.437 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.266 -6.248 -4.516 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.357 -5.902 -5.424 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.170 -5.454 -6.660 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.941 -5.299 -7.134 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.213 -5.161 -7.426 1.00 0.00 N ATOM 0 H ARG A 73 -0.883 -7.259 0.044 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.231 -5.206 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.716 -7.384 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.930 -8.141 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.813 -8.220 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.694 -6.933 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.881 -5.341 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.446 -6.686 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.315 -6.010 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.137 -5.524 -6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.800 -4.955 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.160 -5.280 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.068 -4.817 -8.375 1.00 0.00 H new ATOM 1151 N ARG A 74 -3.924 -6.326 -0.340 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.318 -6.018 -0.046 1.00 0.00 C ATOM 1153 C ARG A 74 -5.459 -4.601 0.502 1.00 0.00 C ATOM 1154 O ARG A 74 -6.307 -3.830 0.050 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.883 -7.023 0.960 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.864 -8.459 0.462 1.00 0.00 C ATOM 1157 CD ARG A 74 -6.981 -9.280 1.088 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.683 -9.647 2.469 1.00 0.00 N ATOM 1159 CZ ARG A 74 -5.912 -10.675 2.806 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.364 -11.433 1.867 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.687 -10.946 4.086 1.00 0.00 N ATOM 0 H ARG A 74 -3.561 -7.146 0.147 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.883 -6.087 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.309 -6.960 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.909 -6.745 1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.967 -8.470 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.901 -8.914 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.910 -8.711 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.140 -10.183 0.499 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.089 -9.083 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.534 -11.228 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.772 -12.222 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.106 -10.365 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.095 -11.736 4.344 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.622 -4.263 1.477 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.651 -2.939 2.086 1.00 0.00 C ATOM 1177 C LYS A 75 -4.182 -1.875 1.099 1.00 0.00 C ATOM 1178 O LYS A 75 -4.661 -0.742 1.120 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.771 -2.912 3.338 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.283 -2.875 3.035 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.466 -2.604 4.287 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.338 -3.850 5.150 1.00 0.00 C ATOM 1183 NZ LYS A 75 -2.502 -4.014 6.064 1.00 0.00 N ATOM 0 H LYS A 75 -3.915 -4.889 1.862 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.681 -2.719 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.033 -2.040 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.988 -3.792 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.976 -3.825 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.081 -2.102 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.474 -2.251 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.936 -1.807 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.253 -4.728 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.421 -3.793 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.162 -4.213 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.065 -3.139 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.093 -4.804 5.735 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.243 -2.249 0.235 1.00 0.00 N ATOM 1198 CA GLU A 76 -2.711 -1.326 -0.760 1.00 0.00 C ATOM 1199 C GLU A 76 -3.787 -0.931 -1.767 1.00 0.00 C ATOM 1200 O GLU A 76 -3.953 0.248 -2.083 1.00 0.00 O ATOM 1201 CB GLU A 76 -1.523 -1.957 -1.489 1.00 0.00 C ATOM 1202 CG GLU A 76 -1.334 -1.441 -2.906 1.00 0.00 C ATOM 1203 CD GLU A 76 0.112 -1.492 -3.358 1.00 0.00 C ATOM 1204 OE1 GLU A 76 0.609 -2.603 -3.637 1.00 0.00 O ATOM 1205 OE2 GLU A 76 0.747 -0.419 -3.434 1.00 0.00 O ATOM 0 H GLU A 76 -2.836 -3.184 0.204 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.376 -0.428 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.614 -1.767 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.659 -3.038 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.945 -2.032 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.693 -0.414 -2.965 1.00 0.00 H new ATOM 1212 N ILE A 77 -4.516 -1.924 -2.266 1.00 0.00 N ATOM 1213 CA ILE A 77 -5.576 -1.680 -3.235 1.00 0.00 C ATOM 1214 C ILE A 77 -6.742 -0.932 -2.598 1.00 0.00 C ATOM 1215 O ILE A 77 -7.371 -0.084 -3.232 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.096 -2.996 -3.843 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -6.656 -3.904 -2.746 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -4.986 -3.701 -4.607 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.346 -5.140 -3.279 1.00 0.00 C ATOM 0 H ILE A 77 -4.391 -2.905 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.145 -1.068 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.900 -2.764 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.843 -4.207 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.362 -3.336 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.369 -4.629 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.630 -3.055 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.162 -3.924 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.718 -5.737 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.180 -4.845 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.637 -5.730 -3.860 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.025 -1.250 -1.339 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.113 -0.606 -0.613 1.00 0.00 C ATOM 1233 C LYS A 78 -7.787 0.856 -0.328 1.00 0.00 C ATOM 1234 O LYS A 78 -8.609 1.743 -0.563 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.385 -1.345 0.700 1.00 0.00 C ATOM 1236 CG LYS A 78 -9.379 -0.635 1.602 1.00 0.00 C ATOM 1237 CD LYS A 78 -8.685 0.335 2.543 1.00 0.00 C ATOM 1238 CE LYS A 78 -9.477 0.530 3.827 1.00 0.00 C ATOM 1239 NZ LYS A 78 -9.459 -0.691 4.680 1.00 0.00 N ATOM 0 H LYS A 78 -6.515 -1.950 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.006 -0.645 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.760 -2.343 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.445 -1.472 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.104 -0.096 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.935 -1.371 2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.689 -0.038 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.555 1.296 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.063 1.369 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.508 0.787 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.683 -0.432 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.166 -1.369 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.515 -1.126 4.644 1.00 0.00 H new ATOM 1253 N ARG A 79 -6.583 1.101 0.180 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.149 2.457 0.496 1.00 0.00 C ATOM 1255 C ARG A 79 -6.042 3.303 -0.769 1.00 0.00 C ATOM 1256 O ARG A 79 -6.323 4.501 -0.751 1.00 0.00 O ATOM 1257 CB ARG A 79 -4.801 2.427 1.219 1.00 0.00 C ATOM 1258 CG ARG A 79 -4.510 3.689 2.016 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.063 3.731 2.482 1.00 0.00 C ATOM 1260 NE ARG A 79 -2.732 5.000 3.125 1.00 0.00 N ATOM 1261 CZ ARG A 79 -2.522 6.129 2.458 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -2.609 6.148 1.135 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -2.225 7.243 3.115 1.00 0.00 N ATOM 0 H ARG A 79 -5.891 0.379 0.381 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.895 2.908 1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.778 1.569 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.008 2.279 0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.722 4.565 1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.173 3.737 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.883 2.913 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.403 3.574 1.629 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.658 5.020 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.838 5.294 0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.447 7.017 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.158 7.232 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.064 8.110 2.602 1.00 0.00 H new ATOM 1277 N ARG A 80 -5.633 2.671 -1.864 1.00 0.00 N ATOM 1278 CA ARG A 80 -5.487 3.366 -3.137 1.00 0.00 C ATOM 1279 C ARG A 80 -6.851 3.732 -3.717 1.00 0.00 C ATOM 1280 O ARG A 80 -7.002 4.764 -4.370 1.00 0.00 O ATOM 1281 CB ARG A 80 -4.716 2.497 -4.132 1.00 0.00 C ATOM 1282 CG ARG A 80 -4.037 3.291 -5.237 1.00 0.00 C ATOM 1283 CD ARG A 80 -2.777 2.596 -5.728 1.00 0.00 C ATOM 1284 NE ARG A 80 -2.421 3.004 -7.085 1.00 0.00 N ATOM 1285 CZ ARG A 80 -2.971 2.484 -8.177 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -3.897 1.542 -8.072 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -2.594 2.908 -9.376 1.00 0.00 N ATOM 0 H ARG A 80 -5.397 1.679 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.928 4.285 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.962 1.924 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.402 1.779 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.729 3.424 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.786 4.286 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.952 2.822 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.924 1.516 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.711 3.728 -7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.189 1.214 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.318 1.144 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.882 3.633 -9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.016 2.509 -10.214 1.00 0.00 H new ATOM 1301 N ALA A 81 -7.840 2.879 -3.473 1.00 0.00 N ATOM 1302 CA ALA A 81 -9.190 3.113 -3.968 1.00 0.00 C ATOM 1303 C ALA A 81 -9.863 4.253 -3.211 1.00 0.00 C ATOM 1304 O ALA A 81 -10.823 4.851 -3.695 1.00 0.00 O ATOM 1305 CB ALA A 81 -10.020 1.842 -3.860 1.00 0.00 C ATOM 0 H ALA A 81 -7.731 2.019 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.121 3.400 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.026 2.032 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.556 1.053 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.073 1.530 -2.817 1.00 0.00 H new ATOM 1311 N ASN A 82 -9.353 4.548 -2.020 1.00 0.00 N ATOM 1312 CA ASN A 82 -9.906 5.616 -1.195 1.00 0.00 C ATOM 1313 C ASN A 82 -9.605 6.983 -1.801 1.00 0.00 C ATOM 1314 O ASN A 82 -10.349 7.943 -1.595 1.00 0.00 O ATOM 1315 CB ASN A 82 -9.338 5.539 0.224 1.00 0.00 C ATOM 1316 CG ASN A 82 -10.126 6.382 1.208 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -11.357 6.375 1.203 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -9.416 7.115 2.059 1.00 0.00 N ATOM 0 H ASN A 82 -8.558 4.063 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.987 5.486 -1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.338 4.501 0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.300 5.871 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.890 7.703 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.397 7.090 2.027 1.00 0.00 H new ATOM 1325 N ILE A 83 -8.510 7.064 -2.550 1.00 0.00 N ATOM 1326 CA ILE A 83 -8.111 8.313 -3.187 1.00 0.00 C ATOM 1327 C ILE A 83 -8.684 8.418 -4.597 1.00 0.00 C ATOM 1328 O ILE A 83 -7.961 8.698 -5.552 1.00 0.00 O ATOM 1329 CB ILE A 83 -6.579 8.446 -3.257 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -5.947 8.011 -1.933 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -6.186 9.877 -3.593 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -4.490 7.622 -2.057 1.00 0.00 C ATOM 0 H ILE A 83 -7.884 6.279 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.509 9.121 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.208 7.793 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.037 8.824 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.507 7.166 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.100 9.955 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.611 10.154 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.566 10.549 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.108 7.325 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.394 6.789 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.917 8.472 -2.427 1.00 0.00 H new ATOM 1344 N ALA A 84 -9.988 8.192 -4.718 1.00 0.00 N ATOM 1345 CA ALA A 84 -10.659 8.264 -6.010 1.00 0.00 C ATOM 1346 C ALA A 84 -10.470 9.636 -6.650 1.00 0.00 C ATOM 1347 O ALA A 84 -10.764 9.826 -7.830 1.00 0.00 O ATOM 1348 CB ALA A 84 -12.139 7.951 -5.855 1.00 0.00 C ATOM 0 H ALA A 84 -10.601 7.958 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.209 7.520 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.627 8.009 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -12.258 6.947 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.595 8.673 -5.177 1.00 0.00 H new ATOM 1354 N ALA A 85 -9.980 10.588 -5.864 1.00 0.00 N ATOM 1355 CA ALA A 85 -9.752 11.942 -6.354 1.00 0.00 C ATOM 1356 C ALA A 85 -8.705 11.954 -7.463 1.00 0.00 C ATOM 1357 O ALA A 85 -7.588 11.470 -7.280 1.00 0.00 O ATOM 1358 CB ALA A 85 -9.325 12.852 -5.213 1.00 0.00 C ATOM 0 H ALA A 85 -9.733 10.447 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.689 12.314 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.158 13.860 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.107 12.876 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.403 12.474 -4.772 1.00 0.00 H new ATOM 1364 N ILE A 86 -9.074 12.510 -8.612 1.00 0.00 N ATOM 1365 CA ILE A 86 -8.165 12.586 -9.750 1.00 0.00 C ATOM 1366 C ILE A 86 -7.722 14.022 -10.005 1.00 0.00 C ATOM 1367 O ILE A 86 -7.587 14.447 -11.153 1.00 0.00 O ATOM 1368 CB ILE A 86 -8.817 12.027 -11.028 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -9.483 10.680 -10.740 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -7.780 11.885 -12.133 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -8.515 9.611 -10.285 1.00 0.00 C ATOM 0 H ILE A 86 -9.995 12.914 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.295 11.979 -9.500 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.583 12.726 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.246 10.818 -9.974 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.994 10.337 -11.640 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.256 11.489 -13.030 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.347 12.861 -12.353 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.993 11.204 -11.808 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.058 8.684 -10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.766 9.445 -11.060 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.022 9.933 -9.367 1.00 0.00 H new ATOM 1383 N LEU A 87 -7.495 14.766 -8.928 1.00 0.00 N ATOM 1384 CA LEU A 87 -7.065 16.155 -9.034 1.00 0.00 C ATOM 1385 C LEU A 87 -5.617 16.313 -8.580 1.00 0.00 C ATOM 1386 O LEU A 87 -5.353 16.684 -7.437 1.00 0.00 O ATOM 1387 CB LEU A 87 -7.975 17.057 -8.198 1.00 0.00 C ATOM 1388 CG LEU A 87 -9.216 17.599 -8.907 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -10.343 16.579 -8.865 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -9.659 18.912 -8.278 1.00 0.00 C ATOM 0 H LEU A 87 -7.602 14.430 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.133 16.451 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.298 16.499 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.387 17.902 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.962 17.786 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.218 16.982 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.024 15.663 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.596 16.359 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.544 19.283 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.895 18.750 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.856 19.644 -8.361 1.00 0.00 H new ATOM 1402 N GLU A 88 -4.684 16.031 -9.484 1.00 0.00 N ATOM 1403 CA GLU A 88 -3.263 16.143 -9.175 1.00 0.00 C ATOM 1404 C GLU A 88 -2.418 15.980 -10.435 1.00 0.00 C ATOM 1405 O GLU A 88 -2.827 15.316 -11.388 1.00 0.00 O ATOM 1406 CB GLU A 88 -2.860 15.093 -8.138 1.00 0.00 C ATOM 1407 CG GLU A 88 -1.362 15.026 -7.890 1.00 0.00 C ATOM 1408 CD GLU A 88 -0.859 16.179 -7.044 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -1.199 17.339 -7.359 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -0.125 15.922 -6.066 1.00 0.00 O ATOM 0 H GLU A 88 -4.886 15.724 -10.435 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.084 17.137 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.366 15.311 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.209 14.115 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.121 14.085 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.839 15.026 -8.846 1.00 0.00 H new ATOM 1417 N SER A 89 -1.238 16.592 -10.432 1.00 0.00 N ATOM 1418 CA SER A 89 -0.337 16.519 -11.576 1.00 0.00 C ATOM 1419 C SER A 89 0.566 15.293 -11.479 1.00 0.00 C ATOM 1420 O SER A 89 1.690 15.374 -10.983 1.00 0.00 O ATOM 1421 CB SER A 89 0.514 17.787 -11.663 1.00 0.00 C ATOM 1422 OG SER A 89 -0.240 18.873 -12.175 1.00 0.00 O ATOM 0 H SER A 89 -0.884 17.144 -9.650 1.00 0.00 H new ATOM 0 HA SER A 89 -0.942 16.433 -12.479 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.897 18.040 -10.674 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.378 17.606 -12.303 1.00 0.00 H new ATOM 0 HG SER A 89 0.326 19.672 -12.219 1.00 0.00 H new ATOM 1428 N SER A 90 0.066 14.158 -11.956 1.00 0.00 N ATOM 1429 CA SER A 90 0.825 12.913 -11.920 1.00 0.00 C ATOM 1430 C SER A 90 0.862 12.260 -13.299 1.00 0.00 C ATOM 1431 O SER A 90 0.183 12.700 -14.225 1.00 0.00 O ATOM 1432 CB SER A 90 0.214 11.948 -10.903 1.00 0.00 C ATOM 1433 OG SER A 90 1.204 11.102 -10.344 1.00 0.00 O ATOM 0 H SER A 90 -0.862 14.074 -12.372 1.00 0.00 H new ATOM 0 HA SER A 90 1.846 13.147 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.276 12.513 -10.110 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.554 11.344 -11.386 1.00 0.00 H new ATOM 0 HG SER A 90 0.788 10.496 -9.696 1.00 0.00 H new ATOM 1439 N GLY A 91 1.663 11.206 -13.426 1.00 0.00 N ATOM 1440 CA GLY A 91 1.775 10.508 -14.693 1.00 0.00 C ATOM 1441 C GLY A 91 2.471 9.168 -14.558 1.00 0.00 C ATOM 1442 O GLY A 91 3.577 9.070 -14.027 1.00 0.00 O ATOM 0 H GLY A 91 2.236 10.823 -12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.779 10.356 -15.110 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.325 11.130 -15.399 1.00 0.00 H new ATOM 1446 N PRO A 92 1.815 8.104 -15.045 1.00 0.00 N ATOM 1447 CA PRO A 92 2.358 6.744 -14.986 1.00 0.00 C ATOM 1448 C PRO A 92 3.552 6.557 -15.916 1.00 0.00 C ATOM 1449 O PRO A 92 4.541 5.921 -15.550 1.00 0.00 O ATOM 1450 CB PRO A 92 1.184 5.874 -15.441 1.00 0.00 C ATOM 1451 CG PRO A 92 0.350 6.774 -16.285 1.00 0.00 C ATOM 1452 CD PRO A 92 0.492 8.148 -15.691 1.00 0.00 C ATOM 0 HA PRO A 92 2.730 6.496 -13.992 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.529 5.008 -16.006 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.619 5.494 -14.589 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.687 6.760 -17.321 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.692 6.454 -16.285 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.443 8.923 -16.455 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.300 8.359 -14.972 1.00 0.00 H new ATOM 1460 N SER A 93 3.454 7.114 -17.118 1.00 0.00 N ATOM 1461 CA SER A 93 4.525 7.004 -18.102 1.00 0.00 C ATOM 1462 C SER A 93 4.303 7.975 -19.257 1.00 0.00 C ATOM 1463 O SER A 93 3.187 8.445 -19.482 1.00 0.00 O ATOM 1464 CB SER A 93 4.615 5.573 -18.633 1.00 0.00 C ATOM 1465 OG SER A 93 3.563 5.299 -19.542 1.00 0.00 O ATOM 0 H SER A 93 2.644 7.646 -17.435 1.00 0.00 H new ATOM 0 HA SER A 93 5.464 7.260 -17.610 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.575 5.425 -19.128 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.573 4.870 -17.801 1.00 0.00 H new ATOM 0 HG SER A 93 3.644 4.379 -19.868 1.00 0.00 H new ATOM 1471 N SER A 94 5.373 8.270 -19.988 1.00 0.00 N ATOM 1472 CA SER A 94 5.297 9.188 -21.119 1.00 0.00 C ATOM 1473 C SER A 94 6.246 8.757 -22.233 1.00 0.00 C ATOM 1474 O SER A 94 7.000 7.796 -22.084 1.00 0.00 O ATOM 1475 CB SER A 94 5.632 10.612 -20.671 1.00 0.00 C ATOM 1476 OG SER A 94 5.120 11.567 -21.584 1.00 0.00 O ATOM 0 H SER A 94 6.303 7.887 -19.818 1.00 0.00 H new ATOM 0 HA SER A 94 4.278 9.166 -21.505 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.216 10.792 -19.680 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.713 10.726 -20.589 1.00 0.00 H new ATOM 0 HG SER A 94 5.346 12.469 -21.275 1.00 0.00 H new ATOM 1482 N GLY A 95 6.202 9.475 -23.351 1.00 0.00 N ATOM 1483 CA GLY A 95 7.062 9.153 -24.474 1.00 0.00 C ATOM 1484 C GLY A 95 8.434 8.680 -24.037 1.00 0.00 C ATOM 1485 O GLY A 95 9.229 8.219 -24.856 1.00 0.00 O ATOM 0 H GLY A 95 5.586 10.274 -23.499 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.590 8.379 -25.079 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.170 10.032 -25.109 1.00 0.00 H new TER 1489 GLY A 95