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+ -109:sc= 0.0548 (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 5:sc= 0.586! USER MOD Single : A 10 SER OG : rot -113:sc= 0.00972 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -50:sc= -2.86 USER MOD Single : A 22 MET CE :methyl -166:sc= -18.5! (180deg=-20.3!) 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= -0.514 X(o=-0.51,f=-0.73) USER MOD Single : A 29 ASN : amide:sc= -0.0335 K(o=-0.034,f=-6.9!) USER MOD Single : A 30 GLN : amide:sc= 1.26 K(o=1.3,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= -0.809 (180deg=-2.36!) USER MOD Single : A 42 ASN : amide:sc= 0.00581 K(o=0.0058,f=-0.79) USER MOD Single : A 44 CYS SG : rot 180:sc= -2.85 USER MOD Single : A 45 ASN : amide:sc= -0.782 K(o=-0.78,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -2.07! X(o=-2.1!,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0147 (180deg=-0.189) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=0.000479 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.15 (180deg=-0.0375) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.00892 X(o=0.0089,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 141:sc= -2.13 (180deg=-4.45!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.7!) 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.073 14.417 -1.724 1.00 0.00 N ATOM 2 CA GLY A 1 16.875 14.110 -2.483 1.00 0.00 C ATOM 3 C GLY A 1 16.257 15.341 -3.115 1.00 0.00 C ATOM 4 O GLY A 1 16.504 16.464 -2.673 1.00 0.00 O ATOM 0 H1 GLY A 1 18.906 14.050 -2.227 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.160 15.448 -1.615 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.012 13.973 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.118 13.388 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.144 13.637 -1.827 1.00 0.00 H new ATOM 8 N SER A 2 15.451 15.132 -4.151 1.00 0.00 N ATOM 9 CA SER A 2 14.800 16.236 -4.848 1.00 0.00 C ATOM 10 C SER A 2 13.306 16.264 -4.542 1.00 0.00 C ATOM 11 O SER A 2 12.776 17.270 -4.070 1.00 0.00 O ATOM 12 CB SER A 2 15.022 16.115 -6.357 1.00 0.00 C ATOM 13 OG SER A 2 16.253 16.703 -6.740 1.00 0.00 O ATOM 0 H SER A 2 15.233 14.209 -4.526 1.00 0.00 H new ATOM 0 HA SER A 2 15.243 17.168 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.012 15.064 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.203 16.600 -6.888 1.00 0.00 H new ATOM 0 HG SER A 2 16.372 16.611 -7.708 1.00 0.00 H new ATOM 19 N SER A 3 12.631 15.152 -4.817 1.00 0.00 N ATOM 20 CA SER A 3 11.196 15.050 -4.575 1.00 0.00 C ATOM 21 C SER A 3 10.878 13.846 -3.694 1.00 0.00 C ATOM 22 O SER A 3 9.736 13.650 -3.280 1.00 0.00 O ATOM 23 CB SER A 3 10.441 14.939 -5.902 1.00 0.00 C ATOM 24 OG SER A 3 10.849 13.791 -6.626 1.00 0.00 O ATOM 0 H SER A 3 13.054 14.310 -5.207 1.00 0.00 H new ATOM 0 HA SER A 3 10.874 15.953 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.369 14.891 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.618 15.832 -6.501 1.00 0.00 H new ATOM 0 HG SER A 3 10.351 13.742 -7.469 1.00 0.00 H new ATOM 30 N GLY A 4 11.899 13.042 -3.410 1.00 0.00 N ATOM 31 CA GLY A 4 11.708 11.867 -2.579 1.00 0.00 C ATOM 32 C GLY A 4 11.794 10.578 -3.371 1.00 0.00 C ATOM 33 O GLY A 4 10.861 10.221 -4.092 1.00 0.00 O ATOM 0 H GLY A 4 12.854 13.183 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.461 11.857 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.736 11.925 -2.090 1.00 0.00 H new ATOM 37 N SER A 5 12.915 9.877 -3.239 1.00 0.00 N ATOM 38 CA SER A 5 13.121 8.622 -3.952 1.00 0.00 C ATOM 39 C SER A 5 13.571 7.521 -2.997 1.00 0.00 C ATOM 40 O SER A 5 14.767 7.278 -2.832 1.00 0.00 O ATOM 41 CB SER A 5 14.158 8.805 -5.062 1.00 0.00 C ATOM 42 OG SER A 5 13.756 9.813 -5.974 1.00 0.00 O ATOM 0 H SER A 5 13.695 10.157 -2.645 1.00 0.00 H new ATOM 0 HA SER A 5 12.171 8.327 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.121 9.069 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.297 7.863 -5.593 1.00 0.00 H new ATOM 0 HG SER A 5 14.436 9.912 -6.673 1.00 0.00 H new ATOM 48 N SER A 6 12.605 6.859 -2.369 1.00 0.00 N ATOM 49 CA SER A 6 12.900 5.786 -1.427 1.00 0.00 C ATOM 50 C SER A 6 12.918 4.433 -2.131 1.00 0.00 C ATOM 51 O SER A 6 11.933 4.030 -2.750 1.00 0.00 O ATOM 52 CB SER A 6 11.869 5.772 -0.297 1.00 0.00 C ATOM 53 OG SER A 6 10.667 5.147 -0.712 1.00 0.00 O ATOM 0 H SER A 6 11.611 7.047 -2.496 1.00 0.00 H new ATOM 0 HA SER A 6 13.888 5.969 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.277 5.246 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.660 6.793 0.022 1.00 0.00 H new ATOM 0 HG SER A 6 10.779 4.791 -1.618 1.00 0.00 H new ATOM 59 N GLY A 7 14.045 3.736 -2.033 1.00 0.00 N ATOM 60 CA GLY A 7 14.171 2.436 -2.665 1.00 0.00 C ATOM 61 C GLY A 7 13.605 1.318 -1.812 1.00 0.00 C ATOM 62 O GLY A 7 12.582 1.492 -1.149 1.00 0.00 O ATOM 0 H GLY A 7 14.874 4.048 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.657 2.451 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.223 2.236 -2.870 1.00 0.00 H new ATOM 66 N ARG A 8 14.269 0.167 -1.829 1.00 0.00 N ATOM 67 CA ARG A 8 13.824 -0.984 -1.053 1.00 0.00 C ATOM 68 C ARG A 8 14.455 -0.980 0.336 1.00 0.00 C ATOM 69 O ARG A 8 15.616 -0.606 0.501 1.00 0.00 O ATOM 70 CB ARG A 8 14.174 -2.283 -1.781 1.00 0.00 C ATOM 71 CG ARG A 8 15.669 -2.526 -1.906 1.00 0.00 C ATOM 72 CD ARG A 8 16.221 -1.946 -3.199 1.00 0.00 C ATOM 73 NE ARG A 8 17.356 -2.716 -3.703 1.00 0.00 N ATOM 74 CZ ARG A 8 17.860 -2.567 -4.923 1.00 0.00 C ATOM 75 NH1 ARG A 8 17.334 -1.682 -5.758 1.00 0.00 N ATOM 76 NH2 ARG A 8 18.894 -3.304 -5.309 1.00 0.00 N ATOM 0 H ARG A 8 15.117 0.007 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 8 12.742 -0.919 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.721 -3.121 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.733 -2.261 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.184 -2.078 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.869 -3.597 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.434 -1.925 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.529 -0.914 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 8 17.784 -3.405 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.540 -1.113 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.723 -1.570 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.302 -3.985 -4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.281 -3.189 -6.246 1.00 0.00 H new ATOM 90 N GLY A 9 13.682 -1.398 1.334 1.00 0.00 N ATOM 91 CA GLY A 9 14.182 -1.434 2.695 1.00 0.00 C ATOM 92 C GLY A 9 13.401 -2.390 3.575 1.00 0.00 C ATOM 93 O GLY A 9 12.896 -2.003 4.629 1.00 0.00 O ATOM 0 H GLY A 9 12.718 -1.712 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.231 -1.729 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.136 -0.432 3.122 1.00 0.00 H new ATOM 97 N SER A 10 13.298 -3.642 3.141 1.00 0.00 N ATOM 98 CA SER A 10 12.568 -4.655 3.894 1.00 0.00 C ATOM 99 C SER A 10 13.489 -5.801 4.299 1.00 0.00 C ATOM 100 O SER A 10 14.275 -6.296 3.491 1.00 0.00 O ATOM 101 CB SER A 10 11.400 -5.194 3.064 1.00 0.00 C ATOM 102 OG SER A 10 10.586 -6.062 3.833 1.00 0.00 O ATOM 0 H SER A 10 13.711 -3.979 2.271 1.00 0.00 H new ATOM 0 HA SER A 10 12.178 -4.189 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.801 -4.363 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.783 -5.726 2.193 1.00 0.00 H new ATOM 0 HG SER A 10 10.665 -6.976 3.488 1.00 0.00 H new ATOM 108 N ARG A 11 13.387 -6.217 5.557 1.00 0.00 N ATOM 109 CA ARG A 11 14.212 -7.304 6.072 1.00 0.00 C ATOM 110 C ARG A 11 14.244 -8.473 5.092 1.00 0.00 C ATOM 111 O ARG A 11 15.298 -9.057 4.840 1.00 0.00 O ATOM 112 CB ARG A 11 13.684 -7.775 7.428 1.00 0.00 C ATOM 113 CG ARG A 11 12.294 -8.386 7.362 1.00 0.00 C ATOM 114 CD ARG A 11 11.571 -8.270 8.695 1.00 0.00 C ATOM 115 NE ARG A 11 12.003 -9.294 9.643 1.00 0.00 N ATOM 116 CZ ARG A 11 11.662 -10.574 9.548 1.00 0.00 C ATOM 117 NH1 ARG A 11 10.888 -10.986 8.553 1.00 0.00 N ATOM 118 NH2 ARG A 11 12.095 -11.446 10.450 1.00 0.00 N ATOM 0 H ARG A 11 12.741 -5.818 6.239 1.00 0.00 H new ATOM 0 HA ARG A 11 15.228 -6.929 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.375 -8.509 7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.668 -6.929 8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.712 -7.887 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.370 -9.436 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.751 -7.283 9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.496 -8.356 8.533 1.00 0.00 H new ATOM 0 HE ARG A 11 12.599 -9.010 10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.553 -10.319 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.628 -11.970 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.690 -11.133 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.833 -12.429 10.376 1.00 0.00 H new ATOM 132 N PHE A 12 13.081 -8.810 4.544 1.00 0.00 N ATOM 133 CA PHE A 12 12.975 -9.911 3.593 1.00 0.00 C ATOM 134 C PHE A 12 12.318 -9.448 2.296 1.00 0.00 C ATOM 135 O PHE A 12 11.201 -8.931 2.302 1.00 0.00 O ATOM 136 CB PHE A 12 12.173 -11.063 4.202 1.00 0.00 C ATOM 137 CG PHE A 12 11.553 -11.969 3.177 1.00 0.00 C ATOM 138 CD1 PHE A 12 12.271 -13.025 2.640 1.00 0.00 C ATOM 139 CD2 PHE A 12 10.251 -11.764 2.749 1.00 0.00 C ATOM 140 CE1 PHE A 12 11.703 -13.860 1.697 1.00 0.00 C ATOM 141 CE2 PHE A 12 9.677 -12.596 1.807 1.00 0.00 C ATOM 142 CZ PHE A 12 10.405 -13.645 1.279 1.00 0.00 C ATOM 0 H PHE A 12 12.199 -8.337 4.742 1.00 0.00 H new ATOM 0 HA PHE A 12 13.982 -10.260 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.828 -11.650 4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.387 -10.653 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.287 -13.198 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.678 -10.944 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 12 12.274 -14.680 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.661 -12.427 1.484 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.959 -14.295 0.541 1.00 0.00 H new ATOM 152 N THR A 13 13.020 -9.638 1.183 1.00 0.00 N ATOM 153 CA THR A 13 12.508 -9.239 -0.121 1.00 0.00 C ATOM 154 C THR A 13 11.677 -10.352 -0.749 1.00 0.00 C ATOM 155 O THR A 13 11.540 -11.434 -0.179 1.00 0.00 O ATOM 156 CB THR A 13 13.651 -8.862 -1.083 1.00 0.00 C ATOM 157 OG1 THR A 13 13.115 -8.281 -2.277 1.00 0.00 O ATOM 158 CG2 THR A 13 14.485 -10.084 -1.437 1.00 0.00 C ATOM 0 H THR A 13 13.945 -10.066 1.159 1.00 0.00 H new ATOM 0 HA THR A 13 11.877 -8.365 0.041 1.00 0.00 H new ATOM 0 HB THR A 13 14.293 -8.136 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.848 -8.043 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.286 -9.793 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.915 -10.506 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.852 -10.829 -1.919 1.00 0.00 H new ATOM 166 N TRP A 14 11.125 -10.080 -1.926 1.00 0.00 N ATOM 167 CA TRP A 14 10.308 -11.060 -2.632 1.00 0.00 C ATOM 168 C TRP A 14 10.860 -11.326 -4.028 1.00 0.00 C ATOM 169 O TRP A 14 11.404 -10.428 -4.671 1.00 0.00 O ATOM 170 CB TRP A 14 8.861 -10.574 -2.727 1.00 0.00 C ATOM 171 CG TRP A 14 8.051 -10.874 -1.502 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.763 -10.015 -0.480 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.429 -12.120 -1.170 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.998 -10.652 0.468 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.779 -11.944 0.068 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.355 -13.366 -1.798 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.067 -12.968 0.686 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.649 -14.381 -1.182 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.012 -14.178 0.049 1.00 0.00 C ATOM 0 H TRP A 14 11.228 -9.189 -2.412 1.00 0.00 H new ATOM 0 HA TRP A 14 10.335 -11.992 -2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.858 -9.498 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.385 -11.038 -3.591 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.088 -8.987 -0.425 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.650 -10.231 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.841 -13.533 -2.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.575 -12.813 1.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.587 -15.348 -1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.467 -14.992 0.504 1.00 0.00 H new ATOM 190 N ARG A 15 10.717 -12.563 -4.491 1.00 0.00 N ATOM 191 CA ARG A 15 11.204 -12.947 -5.810 1.00 0.00 C ATOM 192 C ARG A 15 10.078 -12.898 -6.840 1.00 0.00 C ATOM 193 O ARG A 15 8.925 -13.198 -6.530 1.00 0.00 O ATOM 194 CB ARG A 15 11.809 -14.351 -5.766 1.00 0.00 C ATOM 195 CG ARG A 15 12.903 -14.510 -4.724 1.00 0.00 C ATOM 196 CD ARG A 15 14.223 -13.931 -5.209 1.00 0.00 C ATOM 197 NE ARG A 15 15.077 -13.511 -4.101 1.00 0.00 N ATOM 198 CZ ARG A 15 16.245 -12.901 -4.264 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.697 -12.640 -5.483 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.965 -12.550 -3.206 1.00 0.00 N ATOM 0 H ARG A 15 10.267 -13.317 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 15 11.976 -12.236 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.018 -15.072 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.216 -14.593 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.603 -14.013 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.032 -15.566 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.747 -14.676 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.028 -13.078 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 15 14.759 -13.696 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.147 -12.908 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.595 -12.171 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.621 -12.749 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.862 -12.081 -3.332 1.00 0.00 H new ATOM 214 N LYS A 16 10.421 -12.517 -8.066 1.00 0.00 N ATOM 215 CA LYS A 16 9.441 -12.429 -9.142 1.00 0.00 C ATOM 216 C LYS A 16 8.719 -13.760 -9.330 1.00 0.00 C ATOM 217 O LYS A 16 7.559 -13.793 -9.737 1.00 0.00 O ATOM 218 CB LYS A 16 10.124 -12.018 -10.448 1.00 0.00 C ATOM 219 CG LYS A 16 11.210 -12.981 -10.897 1.00 0.00 C ATOM 220 CD LYS A 16 12.547 -12.651 -10.257 1.00 0.00 C ATOM 221 CE LYS A 16 13.708 -13.033 -11.162 1.00 0.00 C ATOM 222 NZ LYS A 16 13.922 -12.030 -12.242 1.00 0.00 N ATOM 0 H LYS A 16 11.371 -12.264 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 16 8.705 -11.672 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.372 -11.941 -11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.558 -11.026 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.923 -14.000 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.306 -12.943 -11.982 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.592 -11.585 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.637 -13.178 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.617 -13.126 -10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.516 -14.010 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.722 -12.326 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.064 -11.959 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.130 -11.103 -11.819 1.00 0.00 H new ATOM 236 N GLU A 17 9.414 -14.853 -9.030 1.00 0.00 N ATOM 237 CA GLU A 17 8.837 -16.185 -9.166 1.00 0.00 C ATOM 238 C GLU A 17 7.757 -16.420 -8.114 1.00 0.00 C ATOM 239 O GLU A 17 6.675 -16.923 -8.421 1.00 0.00 O ATOM 240 CB GLU A 17 9.926 -17.252 -9.042 1.00 0.00 C ATOM 241 CG GLU A 17 11.140 -16.987 -9.917 1.00 0.00 C ATOM 242 CD GLU A 17 12.201 -16.167 -9.209 1.00 0.00 C ATOM 243 OE1 GLU A 17 12.400 -16.374 -7.994 1.00 0.00 O ATOM 244 OE2 GLU A 17 12.833 -15.317 -9.871 1.00 0.00 O ATOM 0 H GLU A 17 10.376 -14.842 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 17 8.380 -16.256 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.245 -17.314 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.504 -18.222 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.571 -17.937 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.825 -16.465 -10.820 1.00 0.00 H new ATOM 251 N CYS A 18 8.059 -16.055 -6.873 1.00 0.00 N ATOM 252 CA CYS A 18 7.115 -16.227 -5.774 1.00 0.00 C ATOM 253 C CYS A 18 5.980 -15.213 -5.869 1.00 0.00 C ATOM 254 O CYS A 18 4.872 -15.459 -5.389 1.00 0.00 O ATOM 255 CB CYS A 18 7.833 -16.083 -4.431 1.00 0.00 C ATOM 256 SG CYS A 18 9.348 -17.060 -4.295 1.00 0.00 S ATOM 0 H CYS A 18 8.950 -15.638 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 18 6.690 -17.228 -5.845 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.076 -15.032 -4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.151 -16.377 -3.633 1.00 0.00 H new ATOM 0 HG CYS A 18 9.108 -18.285 -4.658 1.00 0.00 H new ATOM 262 N LEU A 19 6.261 -14.073 -6.489 1.00 0.00 N ATOM 263 CA LEU A 19 5.264 -13.020 -6.646 1.00 0.00 C ATOM 264 C LEU A 19 4.218 -13.411 -7.685 1.00 0.00 C ATOM 265 O LEU A 19 3.023 -13.194 -7.490 1.00 0.00 O ATOM 266 CB LEU A 19 5.937 -11.708 -7.052 1.00 0.00 C ATOM 267 CG LEU A 19 6.820 -11.050 -5.990 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.618 -9.906 -6.595 1.00 0.00 C ATOM 269 CD2 LEU A 19 5.974 -10.556 -4.826 1.00 0.00 C ATOM 0 H LEU A 19 7.172 -13.854 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 19 4.764 -12.882 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.545 -11.894 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.161 -10.999 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 19 7.521 -11.795 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.240 -9.450 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.252 -10.288 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.934 -9.159 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.618 -10.091 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.250 -9.825 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.447 -11.398 -4.376 1.00 0.00 H new ATOM 281 N ALA A 20 4.677 -13.991 -8.789 1.00 0.00 N ATOM 282 CA ALA A 20 3.781 -14.417 -9.858 1.00 0.00 C ATOM 283 C ALA A 20 2.740 -15.404 -9.341 1.00 0.00 C ATOM 284 O ALA A 20 1.574 -15.354 -9.734 1.00 0.00 O ATOM 285 CB ALA A 20 4.576 -15.034 -10.998 1.00 0.00 C ATOM 0 H ALA A 20 5.664 -14.177 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 20 3.256 -13.538 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.895 -15.347 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.276 -14.298 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.128 -15.899 -10.630 1.00 0.00 H new ATOM 291 N VAL A 21 3.168 -16.300 -8.458 1.00 0.00 N ATOM 292 CA VAL A 21 2.273 -17.299 -7.886 1.00 0.00 C ATOM 293 C VAL A 21 1.300 -16.664 -6.898 1.00 0.00 C ATOM 294 O VAL A 21 0.142 -17.069 -6.805 1.00 0.00 O ATOM 295 CB VAL A 21 3.058 -18.414 -7.172 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.114 -19.494 -6.668 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.109 -19.004 -8.100 1.00 0.00 C ATOM 0 H VAL A 21 4.130 -16.355 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 21 1.713 -17.733 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 21 3.568 -17.981 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.688 -20.273 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.403 -19.058 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.573 -19.926 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.654 -19.791 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.623 -19.422 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.804 -18.222 -8.406 1.00 0.00 H new ATOM 307 N MET A 22 1.780 -15.666 -6.163 1.00 0.00 N ATOM 308 CA MET A 22 0.952 -14.973 -5.182 1.00 0.00 C ATOM 309 C MET A 22 -0.165 -14.193 -5.868 1.00 0.00 C ATOM 310 O MET A 22 -1.282 -14.114 -5.357 1.00 0.00 O ATOM 311 CB MET A 22 1.807 -14.026 -4.339 1.00 0.00 C ATOM 312 CG MET A 22 2.591 -14.729 -3.242 1.00 0.00 C ATOM 313 SD MET A 22 3.012 -13.630 -1.876 1.00 0.00 S ATOM 314 CE MET A 22 4.558 -12.941 -2.460 1.00 0.00 C ATOM 0 H MET A 22 2.737 -15.319 -6.228 1.00 0.00 H new ATOM 0 HA MET A 22 0.502 -15.722 -4.530 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.503 -13.500 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.162 -13.272 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.006 -15.567 -2.862 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.506 -15.145 -3.664 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.068 -12.441 -1.636 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.190 -13.741 -2.846 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.359 -12.221 -3.254 1.00 0.00 H new ATOM 324 N GLU A 23 0.144 -13.620 -7.027 1.00 0.00 N ATOM 325 CA GLU A 23 -0.835 -12.846 -7.781 1.00 0.00 C ATOM 326 C GLU A 23 -1.922 -13.752 -8.353 1.00 0.00 C ATOM 327 O GLU A 23 -3.093 -13.377 -8.406 1.00 0.00 O ATOM 328 CB GLU A 23 -0.149 -12.077 -8.912 1.00 0.00 C ATOM 329 CG GLU A 23 0.423 -10.738 -8.479 1.00 0.00 C ATOM 330 CD GLU A 23 1.450 -10.199 -9.455 1.00 0.00 C ATOM 331 OE1 GLU A 23 1.265 -10.388 -10.676 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.438 -9.586 -8.999 1.00 0.00 O ATOM 0 H GLU A 23 1.064 -13.677 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.301 -12.135 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.654 -12.690 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.867 -11.913 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.388 -10.017 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.882 -10.844 -7.496 1.00 0.00 H new ATOM 339 N SER A 24 -1.524 -14.946 -8.780 1.00 0.00 N ATOM 340 CA SER A 24 -2.462 -15.904 -9.353 1.00 0.00 C ATOM 341 C SER A 24 -3.537 -16.284 -8.339 1.00 0.00 C ATOM 342 O SER A 24 -4.728 -16.277 -8.648 1.00 0.00 O ATOM 343 CB SER A 24 -1.721 -17.158 -9.821 1.00 0.00 C ATOM 344 OG SER A 24 -2.580 -18.015 -10.552 1.00 0.00 O ATOM 0 H SER A 24 -0.559 -15.273 -8.740 1.00 0.00 H new ATOM 0 HA SER A 24 -2.945 -15.435 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.873 -16.872 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.319 -17.690 -8.959 1.00 0.00 H new ATOM 0 HG SER A 24 -2.082 -18.808 -10.841 1.00 0.00 H new ATOM 350 N TYR A 25 -3.107 -16.616 -7.126 1.00 0.00 N ATOM 351 CA TYR A 25 -4.031 -17.001 -6.066 1.00 0.00 C ATOM 352 C TYR A 25 -4.886 -15.815 -5.631 1.00 0.00 C ATOM 353 O TYR A 25 -6.057 -15.973 -5.285 1.00 0.00 O ATOM 354 CB TYR A 25 -3.261 -17.556 -4.867 1.00 0.00 C ATOM 355 CG TYR A 25 -2.843 -19.000 -5.031 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.970 -19.380 -6.043 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.321 -19.984 -4.175 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.585 -20.698 -6.197 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.941 -21.304 -4.321 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.073 -21.656 -5.334 1.00 0.00 C ATOM 361 OH TYR A 25 -1.693 -22.970 -5.483 1.00 0.00 O ATOM 0 H TYR A 25 -2.124 -16.626 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.690 -17.776 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.373 -16.946 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.880 -17.465 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.586 -18.632 -6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.002 -19.712 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.906 -20.976 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.321 -22.056 -3.646 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.125 -23.516 -4.793 1.00 0.00 H new ATOM 371 N PHE A 26 -4.292 -14.627 -5.653 1.00 0.00 N ATOM 372 CA PHE A 26 -4.998 -13.412 -5.260 1.00 0.00 C ATOM 373 C PHE A 26 -6.145 -13.115 -6.222 1.00 0.00 C ATOM 374 O PHE A 26 -7.182 -12.587 -5.824 1.00 0.00 O ATOM 375 CB PHE A 26 -4.032 -12.226 -5.219 1.00 0.00 C ATOM 376 CG PHE A 26 -4.611 -11.005 -4.563 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.634 -10.295 -5.170 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.130 -10.566 -3.340 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.169 -9.171 -4.569 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.661 -9.444 -2.734 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.681 -8.744 -3.350 1.00 0.00 C ATOM 0 H PHE A 26 -3.324 -14.479 -5.939 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.413 -13.568 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.129 -12.522 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.734 -11.975 -6.237 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.018 -10.624 -6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.331 -11.107 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.968 -8.628 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.279 -9.114 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.095 -7.865 -2.879 1.00 0.00 H new ATOM 391 N ASN A 27 -5.949 -13.459 -7.491 1.00 0.00 N ATOM 392 CA ASN A 27 -6.966 -13.228 -8.511 1.00 0.00 C ATOM 393 C ASN A 27 -8.189 -14.107 -8.268 1.00 0.00 C ATOM 394 O ASN A 27 -9.321 -13.691 -8.511 1.00 0.00 O ATOM 395 CB ASN A 27 -6.393 -13.504 -9.903 1.00 0.00 C ATOM 396 CG ASN A 27 -5.611 -12.327 -10.451 1.00 0.00 C ATOM 397 OD1 ASN A 27 -5.867 -11.859 -11.560 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.650 -11.842 -9.673 1.00 0.00 N ATOM 0 H ASN A 27 -5.096 -13.898 -7.837 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.274 -12.184 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.744 -14.379 -9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.207 -13.745 -10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.090 -11.050 -9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.472 -12.261 -8.760 1.00 0.00 H new ATOM 405 N GLU A 28 -7.951 -15.323 -7.787 1.00 0.00 N ATOM 406 CA GLU A 28 -9.034 -16.260 -7.512 1.00 0.00 C ATOM 407 C GLU A 28 -9.620 -16.022 -6.123 1.00 0.00 C ATOM 408 O GLU A 28 -10.816 -16.206 -5.902 1.00 0.00 O ATOM 409 CB GLU A 28 -8.533 -17.701 -7.626 1.00 0.00 C ATOM 410 CG GLU A 28 -7.666 -18.138 -6.457 1.00 0.00 C ATOM 411 CD GLU A 28 -7.576 -19.646 -6.328 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.534 -20.334 -6.741 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.549 -20.139 -5.816 1.00 0.00 O ATOM 0 H GLU A 28 -7.019 -15.682 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.818 -16.096 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.390 -18.370 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.964 -17.807 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.664 -17.727 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.070 -17.722 -5.534 1.00 0.00 H new ATOM 420 N ASN A 29 -8.766 -15.612 -5.190 1.00 0.00 N ATOM 421 CA ASN A 29 -9.198 -15.349 -3.822 1.00 0.00 C ATOM 422 C ASN A 29 -8.239 -14.391 -3.123 1.00 0.00 C ATOM 423 O ASN A 29 -7.040 -14.654 -3.033 1.00 0.00 O ATOM 424 CB ASN A 29 -9.293 -16.658 -3.035 1.00 0.00 C ATOM 425 CG ASN A 29 -9.934 -16.469 -1.673 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.191 -15.343 -1.247 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.195 -17.574 -0.984 1.00 0.00 N ATOM 0 H ASN A 29 -7.772 -15.455 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.183 -14.884 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.872 -17.382 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.294 -17.076 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.626 -17.510 -0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.965 -18.487 -1.377 1.00 0.00 H new ATOM 434 N GLN A 30 -8.776 -13.280 -2.629 1.00 0.00 N ATOM 435 CA GLN A 30 -7.967 -12.282 -1.939 1.00 0.00 C ATOM 436 C GLN A 30 -7.403 -12.844 -0.638 1.00 0.00 C ATOM 437 O GLN A 30 -6.261 -12.564 -0.273 1.00 0.00 O ATOM 438 CB GLN A 30 -8.799 -11.032 -1.649 1.00 0.00 C ATOM 439 CG GLN A 30 -9.500 -10.470 -2.876 1.00 0.00 C ATOM 440 CD GLN A 30 -9.819 -8.994 -2.740 1.00 0.00 C ATOM 441 OE1 GLN A 30 -10.900 -8.620 -2.284 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.878 -8.145 -3.136 1.00 0.00 N ATOM 0 H GLN A 30 -9.767 -13.048 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.135 -12.013 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.546 -11.270 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.151 -10.264 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.869 -10.622 -3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.423 -11.023 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.996 -8.498 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.037 -7.140 -3.068 1.00 0.00 H new ATOM 451 N TYR A 31 -8.210 -13.639 0.056 1.00 0.00 N ATOM 452 CA TYR A 31 -7.792 -14.239 1.318 1.00 0.00 C ATOM 453 C TYR A 31 -7.735 -15.759 1.206 1.00 0.00 C ATOM 454 O TYR A 31 -8.726 -16.460 1.410 1.00 0.00 O ATOM 455 CB TYR A 31 -8.749 -13.834 2.440 1.00 0.00 C ATOM 456 CG TYR A 31 -9.179 -12.386 2.377 1.00 0.00 C ATOM 457 CD1 TYR A 31 -9.989 -11.926 1.347 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.775 -11.478 3.349 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.384 -10.603 1.285 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.166 -10.154 3.296 1.00 0.00 C ATOM 461 CZ TYR A 31 -9.970 -9.722 2.262 1.00 0.00 C ATOM 462 OH TYR A 31 -10.362 -8.404 2.204 1.00 0.00 O ATOM 0 H TYR A 31 -9.157 -13.883 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.792 -13.873 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.634 -14.469 2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.269 -14.020 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.316 -12.614 0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.145 -11.813 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.013 -10.261 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.844 -9.461 4.060 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.986 -7.917 2.967 1.00 0.00 H new ATOM 472 N PRO A 32 -6.545 -16.282 0.873 1.00 0.00 N ATOM 473 CA PRO A 32 -6.328 -17.725 0.728 1.00 0.00 C ATOM 474 C PRO A 32 -6.388 -18.458 2.063 1.00 0.00 C ATOM 475 O PRO A 32 -5.610 -18.172 2.974 1.00 0.00 O ATOM 476 CB PRO A 32 -4.921 -17.813 0.131 1.00 0.00 C ATOM 477 CG PRO A 32 -4.246 -16.558 0.565 1.00 0.00 C ATOM 478 CD PRO A 32 -5.321 -15.507 0.615 1.00 0.00 C ATOM 0 HA PRO A 32 -7.097 -18.193 0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.391 -18.693 0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.956 -17.888 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.777 -16.684 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.457 -16.277 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.134 -14.778 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.386 -14.954 -0.322 1.00 0.00 H new ATOM 486 N ASP A 33 -7.314 -19.404 2.173 1.00 0.00 N ATOM 487 CA ASP A 33 -7.473 -20.180 3.397 1.00 0.00 C ATOM 488 C ASP A 33 -6.122 -20.661 3.916 1.00 0.00 C ATOM 489 O ASP A 33 -5.101 -20.509 3.247 1.00 0.00 O ATOM 490 CB ASP A 33 -8.395 -21.376 3.152 1.00 0.00 C ATOM 491 CG ASP A 33 -9.802 -20.955 2.776 1.00 0.00 C ATOM 492 OD1 ASP A 33 -9.944 -19.976 2.014 1.00 0.00 O ATOM 493 OD2 ASP A 33 -10.761 -21.605 3.243 1.00 0.00 O ATOM 0 H ASP A 33 -7.966 -19.652 1.429 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.922 -19.534 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.979 -21.995 2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.431 -21.993 4.050 1.00 0.00 H new ATOM 498 N GLU A 34 -6.125 -21.240 5.113 1.00 0.00 N ATOM 499 CA GLU A 34 -4.898 -21.741 5.721 1.00 0.00 C ATOM 500 C GLU A 34 -4.209 -22.749 4.806 1.00 0.00 C ATOM 501 O GLU A 34 -2.998 -22.687 4.598 1.00 0.00 O ATOM 502 CB GLU A 34 -5.201 -22.388 7.074 1.00 0.00 C ATOM 503 CG GLU A 34 -6.397 -21.778 7.786 1.00 0.00 C ATOM 504 CD GLU A 34 -6.321 -21.935 9.293 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.553 -23.059 9.784 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.031 -20.933 9.980 1.00 0.00 O ATOM 0 H GLU A 34 -6.962 -21.373 5.680 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.226 -20.896 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.381 -23.453 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.323 -22.299 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.462 -20.719 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.311 -22.247 7.421 1.00 0.00 H new ATOM 513 N ALA A 35 -4.990 -23.676 4.262 1.00 0.00 N ATOM 514 CA ALA A 35 -4.457 -24.696 3.369 1.00 0.00 C ATOM 515 C ALA A 35 -3.993 -24.084 2.051 1.00 0.00 C ATOM 516 O ALA A 35 -2.979 -24.494 1.487 1.00 0.00 O ATOM 517 CB ALA A 35 -5.501 -25.773 3.114 1.00 0.00 C ATOM 0 H ALA A 35 -5.995 -23.741 4.425 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.593 -25.151 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.089 -26.528 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.781 -26.239 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.382 -25.324 2.655 1.00 0.00 H new ATOM 523 N LYS A 36 -4.743 -23.101 1.565 1.00 0.00 N ATOM 524 CA LYS A 36 -4.410 -22.431 0.313 1.00 0.00 C ATOM 525 C LYS A 36 -3.071 -21.708 0.424 1.00 0.00 C ATOM 526 O LYS A 36 -2.275 -21.710 -0.515 1.00 0.00 O ATOM 527 CB LYS A 36 -5.509 -21.437 -0.065 1.00 0.00 C ATOM 528 CG LYS A 36 -5.351 -20.857 -1.460 1.00 0.00 C ATOM 529 CD LYS A 36 -5.600 -21.906 -2.532 1.00 0.00 C ATOM 530 CE LYS A 36 -7.025 -22.435 -2.472 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.138 -23.622 -1.580 1.00 0.00 N ATOM 0 H LYS A 36 -5.586 -22.750 2.019 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.331 -23.189 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.477 -21.934 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.516 -20.623 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.047 -20.029 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.346 -20.450 -1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.412 -21.475 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.899 -22.731 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.690 -21.648 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.356 -22.702 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.577 -24.407 -2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.191 -23.906 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.725 -23.382 -0.756 1.00 0.00 H new ATOM 545 N ARG A 37 -2.830 -21.091 1.576 1.00 0.00 N ATOM 546 CA ARG A 37 -1.588 -20.364 1.808 1.00 0.00 C ATOM 547 C ARG A 37 -0.383 -21.289 1.670 1.00 0.00 C ATOM 548 O ARG A 37 0.624 -20.925 1.063 1.00 0.00 O ATOM 549 CB ARG A 37 -1.598 -19.726 3.199 1.00 0.00 C ATOM 550 CG ARG A 37 -2.296 -18.376 3.245 1.00 0.00 C ATOM 551 CD ARG A 37 -1.930 -17.603 4.502 1.00 0.00 C ATOM 552 NE ARG A 37 -2.820 -17.919 5.617 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.478 -17.777 6.892 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.273 -17.326 7.213 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.343 -18.085 7.850 1.00 0.00 N ATOM 0 H ARG A 37 -3.479 -21.080 2.363 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.510 -19.579 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.090 -20.404 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.570 -19.606 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.022 -17.793 2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.376 -18.522 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.902 -17.832 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.973 -16.534 4.296 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.755 -18.268 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.606 -17.087 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.013 -17.218 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.271 -18.431 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.080 -17.976 8.829 1.00 0.00 H new ATOM 569 N GLU A 38 -0.494 -22.486 2.238 1.00 0.00 N ATOM 570 CA GLU A 38 0.588 -23.462 2.179 1.00 0.00 C ATOM 571 C GLU A 38 0.770 -23.987 0.757 1.00 0.00 C ATOM 572 O GLU A 38 1.889 -24.255 0.322 1.00 0.00 O ATOM 573 CB GLU A 38 0.308 -24.625 3.132 1.00 0.00 C ATOM 574 CG GLU A 38 0.755 -24.362 4.561 1.00 0.00 C ATOM 575 CD GLU A 38 0.336 -25.463 5.515 1.00 0.00 C ATOM 576 OE1 GLU A 38 -0.860 -25.519 5.870 1.00 0.00 O ATOM 577 OE2 GLU A 38 1.205 -26.270 5.907 1.00 0.00 O ATOM 0 H GLU A 38 -1.321 -22.803 2.744 1.00 0.00 H new ATOM 0 HA GLU A 38 1.509 -22.965 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.761 -24.838 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.812 -25.517 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.840 -24.259 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.337 -23.414 4.900 1.00 0.00 H new ATOM 584 N GLU A 39 -0.340 -24.132 0.040 1.00 0.00 N ATOM 585 CA GLU A 39 -0.304 -24.627 -1.331 1.00 0.00 C ATOM 586 C GLU A 39 0.387 -23.626 -2.252 1.00 0.00 C ATOM 587 O GLU A 39 1.243 -23.995 -3.058 1.00 0.00 O ATOM 588 CB GLU A 39 -1.721 -24.906 -1.834 1.00 0.00 C ATOM 589 CG GLU A 39 -1.794 -26.023 -2.862 1.00 0.00 C ATOM 590 CD GLU A 39 -1.801 -27.400 -2.227 1.00 0.00 C ATOM 591 OE1 GLU A 39 -2.883 -27.850 -1.798 1.00 0.00 O ATOM 592 OE2 GLU A 39 -0.723 -28.027 -2.161 1.00 0.00 O ATOM 0 H GLU A 39 -1.275 -23.914 0.386 1.00 0.00 H new ATOM 0 HA GLU A 39 0.266 -25.556 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.355 -25.163 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.128 -23.994 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.695 -25.900 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.944 -25.944 -3.540 1.00 0.00 H new ATOM 599 N ILE A 40 0.010 -22.358 -2.128 1.00 0.00 N ATOM 600 CA ILE A 40 0.593 -21.304 -2.948 1.00 0.00 C ATOM 601 C ILE A 40 2.030 -21.012 -2.529 1.00 0.00 C ATOM 602 O ILE A 40 2.871 -20.664 -3.357 1.00 0.00 O ATOM 603 CB ILE A 40 -0.229 -20.004 -2.863 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.172 -19.047 -3.987 1.00 0.00 C ATOM 605 CG2 ILE A 40 -0.038 -19.345 -1.505 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.349 -18.163 -3.638 1.00 0.00 C ATOM 0 H ILE A 40 -0.697 -22.036 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 40 0.583 -21.664 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.284 -20.250 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.415 -19.627 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.682 -18.418 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.625 -18.428 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.368 -20.026 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.016 -19.109 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.577 -17.511 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.103 -17.556 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.217 -18.784 -3.414 1.00 0.00 H new ATOM 618 N ALA A 41 2.305 -21.158 -1.237 1.00 0.00 N ATOM 619 CA ALA A 41 3.640 -20.914 -0.707 1.00 0.00 C ATOM 620 C ALA A 41 4.623 -21.978 -1.185 1.00 0.00 C ATOM 621 O ALA A 41 5.745 -21.667 -1.582 1.00 0.00 O ATOM 622 CB ALA A 41 3.606 -20.870 0.813 1.00 0.00 C ATOM 0 H ALA A 41 1.620 -21.444 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 41 3.980 -19.948 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.611 -20.687 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.943 -20.069 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.240 -21.823 1.196 1.00 0.00 H new ATOM 628 N ASN A 42 4.193 -23.235 -1.144 1.00 0.00 N ATOM 629 CA ASN A 42 5.037 -24.346 -1.572 1.00 0.00 C ATOM 630 C ASN A 42 5.487 -24.161 -3.018 1.00 0.00 C ATOM 631 O ASN A 42 6.636 -24.438 -3.361 1.00 0.00 O ATOM 632 CB ASN A 42 4.285 -25.670 -1.425 1.00 0.00 C ATOM 633 CG ASN A 42 4.413 -26.256 -0.032 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.894 -27.377 0.140 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.982 -25.500 0.970 1.00 0.00 N ATOM 0 H ASN A 42 3.266 -23.510 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 42 5.921 -24.365 -0.935 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.231 -25.514 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.668 -26.385 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.042 -25.842 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.591 -24.577 0.781 1.00 0.00 H new ATOM 642 N ALA A 43 4.573 -23.691 -3.861 1.00 0.00 N ATOM 643 CA ALA A 43 4.876 -23.467 -5.269 1.00 0.00 C ATOM 644 C ALA A 43 5.954 -22.401 -5.435 1.00 0.00 C ATOM 645 O ALA A 43 6.819 -22.510 -6.305 1.00 0.00 O ATOM 646 CB ALA A 43 3.616 -23.069 -6.023 1.00 0.00 C ATOM 0 H ALA A 43 3.617 -23.458 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 43 5.256 -24.399 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.857 -22.905 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.876 -23.865 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.211 -22.152 -5.596 1.00 0.00 H new ATOM 652 N CYS A 44 5.895 -21.371 -4.598 1.00 0.00 N ATOM 653 CA CYS A 44 6.866 -20.284 -4.654 1.00 0.00 C ATOM 654 C CYS A 44 8.276 -20.800 -4.384 1.00 0.00 C ATOM 655 O CYS A 44 9.232 -20.394 -5.043 1.00 0.00 O ATOM 656 CB CYS A 44 6.505 -19.198 -3.640 1.00 0.00 C ATOM 657 SG CYS A 44 5.057 -18.215 -4.095 1.00 0.00 S ATOM 0 H CYS A 44 5.185 -21.266 -3.873 1.00 0.00 H new ATOM 0 HA CYS A 44 6.840 -19.858 -5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.324 -19.665 -2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.359 -18.532 -3.518 1.00 0.00 H new ATOM 0 HG CYS A 44 4.830 -17.325 -3.175 1.00 0.00 H new ATOM 663 N ASN A 45 8.397 -21.696 -3.410 1.00 0.00 N ATOM 664 CA ASN A 45 9.690 -22.266 -3.052 1.00 0.00 C ATOM 665 C ASN A 45 10.218 -23.161 -4.168 1.00 0.00 C ATOM 666 O ASN A 45 11.426 -23.253 -4.385 1.00 0.00 O ATOM 667 CB ASN A 45 9.577 -23.065 -1.752 1.00 0.00 C ATOM 668 CG ASN A 45 9.648 -22.181 -0.522 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.513 -21.311 -0.418 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.737 -22.401 0.419 1.00 0.00 N ATOM 0 H ASN A 45 7.615 -22.043 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 45 10.392 -21.445 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.636 -23.615 -1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.378 -23.804 -1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.736 -21.838 1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.038 -23.133 0.291 1.00 0.00 H new ATOM 677 N ALA A 46 9.304 -23.820 -4.874 1.00 0.00 N ATOM 678 CA ALA A 46 9.677 -24.706 -5.969 1.00 0.00 C ATOM 679 C ALA A 46 10.228 -23.916 -7.152 1.00 0.00 C ATOM 680 O ALA A 46 11.274 -24.255 -7.705 1.00 0.00 O ATOM 681 CB ALA A 46 8.482 -25.542 -6.401 1.00 0.00 C ATOM 0 H ALA A 46 8.300 -23.756 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 46 10.463 -25.372 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.775 -26.199 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.135 -26.142 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.679 -24.884 -6.733 1.00 0.00 H new ATOM 687 N VAL A 47 9.516 -22.860 -7.535 1.00 0.00 N ATOM 688 CA VAL A 47 9.934 -22.021 -8.652 1.00 0.00 C ATOM 689 C VAL A 47 11.326 -21.446 -8.416 1.00 0.00 C ATOM 690 O VAL A 47 12.098 -21.259 -9.357 1.00 0.00 O ATOM 691 CB VAL A 47 8.944 -20.864 -8.885 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.634 -21.388 -9.454 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.706 -20.099 -7.593 1.00 0.00 C ATOM 0 H VAL A 47 8.648 -22.566 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 47 9.953 -22.657 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 47 9.379 -20.178 -9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.947 -20.556 -9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.824 -21.887 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.191 -22.096 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.004 -19.285 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.293 -20.773 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.650 -19.690 -7.233 1.00 0.00 H new ATOM 703 N ILE A 48 11.639 -21.167 -7.155 1.00 0.00 N ATOM 704 CA ILE A 48 12.939 -20.614 -6.796 1.00 0.00 C ATOM 705 C ILE A 48 13.946 -21.722 -6.507 1.00 0.00 C ATOM 706 O ILE A 48 15.140 -21.571 -6.768 1.00 0.00 O ATOM 707 CB ILE A 48 12.838 -19.693 -5.566 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.532 -20.514 -4.311 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.771 -18.631 -5.784 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.455 -19.683 -3.049 1.00 0.00 C ATOM 0 H ILE A 48 11.010 -21.315 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 48 13.281 -20.029 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 48 13.796 -19.193 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.586 -21.037 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.302 -21.276 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.712 -17.988 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.028 -18.030 -6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.807 -19.112 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.235 -20.330 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.409 -19.181 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.666 -18.938 -3.151 1.00 0.00 H new ATOM 722 N GLN A 49 13.457 -22.834 -5.970 1.00 0.00 N ATOM 723 CA GLN A 49 14.315 -23.968 -5.647 1.00 0.00 C ATOM 724 C GLN A 49 15.136 -24.392 -6.860 1.00 0.00 C ATOM 725 O GLN A 49 14.586 -24.723 -7.911 1.00 0.00 O ATOM 726 CB GLN A 49 13.475 -25.145 -5.148 1.00 0.00 C ATOM 727 CG GLN A 49 14.293 -26.387 -4.837 1.00 0.00 C ATOM 728 CD GLN A 49 14.913 -26.347 -3.453 1.00 0.00 C ATOM 729 OE1 GLN A 49 14.287 -26.741 -2.469 1.00 0.00 O ATOM 730 NE2 GLN A 49 16.149 -25.869 -3.372 1.00 0.00 N ATOM 0 H GLN A 49 12.471 -22.975 -5.749 1.00 0.00 H new ATOM 0 HA GLN A 49 15.000 -23.659 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.936 -24.841 -4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.727 -25.392 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.656 -27.267 -4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.082 -26.493 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.630 -25.554 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.618 -25.817 -2.467 1.00 0.00 H new ATOM 739 N LYS A 50 16.456 -24.379 -6.709 1.00 0.00 N ATOM 740 CA LYS A 50 17.354 -24.763 -7.792 1.00 0.00 C ATOM 741 C LYS A 50 17.917 -26.162 -7.561 1.00 0.00 C ATOM 742 O LYS A 50 18.051 -26.625 -6.428 1.00 0.00 O ATOM 743 CB LYS A 50 18.499 -23.755 -7.914 1.00 0.00 C ATOM 744 CG LYS A 50 18.031 -22.316 -8.040 1.00 0.00 C ATOM 745 CD LYS A 50 17.430 -22.042 -9.409 1.00 0.00 C ATOM 746 CE LYS A 50 17.187 -20.557 -9.624 1.00 0.00 C ATOM 747 NZ LYS A 50 18.413 -19.857 -10.101 1.00 0.00 N ATOM 0 H LYS A 50 16.928 -24.107 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 50 16.782 -24.769 -8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.144 -23.843 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.104 -24.009 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.291 -22.104 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.871 -21.643 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.099 -22.418 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.490 -22.584 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.386 -20.422 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.851 -20.105 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.206 -18.847 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.170 -19.964 -9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.720 -20.271 -11.005 1.00 0.00 H new ATOM 761 N PRO A 51 18.257 -26.853 -8.660 1.00 0.00 N ATOM 762 CA PRO A 51 18.813 -28.208 -8.602 1.00 0.00 C ATOM 763 C PRO A 51 20.227 -28.231 -8.032 1.00 0.00 C ATOM 764 O PRO A 51 21.103 -27.498 -8.489 1.00 0.00 O ATOM 765 CB PRO A 51 18.820 -28.651 -10.067 1.00 0.00 C ATOM 766 CG PRO A 51 18.885 -27.382 -10.846 1.00 0.00 C ATOM 767 CD PRO A 51 18.125 -26.364 -10.042 1.00 0.00 C ATOM 0 HA PRO A 51 18.233 -28.859 -7.948 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.675 -29.292 -10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.924 -29.221 -10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.918 -27.069 -10.996 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.443 -27.508 -11.834 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.546 -25.365 -10.157 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.081 -26.307 -10.350 1.00 0.00 H new ATOM 775 N GLY A 52 20.442 -29.077 -7.029 1.00 0.00 N ATOM 776 CA GLY A 52 21.752 -29.179 -6.413 1.00 0.00 C ATOM 777 C GLY A 52 22.043 -28.026 -5.474 1.00 0.00 C ATOM 778 O GLY A 52 23.184 -27.828 -5.055 1.00 0.00 O ATOM 0 H GLY A 52 19.733 -29.693 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.819 -30.117 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.514 -29.211 -7.191 1.00 0.00 H new ATOM 782 N LYS A 53 21.009 -27.260 -5.142 1.00 0.00 N ATOM 783 CA LYS A 53 21.157 -26.119 -4.247 1.00 0.00 C ATOM 784 C LYS A 53 20.265 -26.271 -3.018 1.00 0.00 C ATOM 785 O LYS A 53 19.349 -27.094 -3.002 1.00 0.00 O ATOM 786 CB LYS A 53 20.814 -24.820 -4.981 1.00 0.00 C ATOM 787 CG LYS A 53 21.935 -24.311 -5.871 1.00 0.00 C ATOM 788 CD LYS A 53 22.876 -23.392 -5.111 1.00 0.00 C ATOM 789 CE LYS A 53 24.184 -23.190 -5.861 1.00 0.00 C ATOM 790 NZ LYS A 53 24.067 -22.137 -6.906 1.00 0.00 N ATOM 0 H LYS A 53 20.058 -27.409 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 53 22.195 -26.080 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.923 -24.980 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.566 -24.052 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.495 -25.156 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.512 -23.777 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.394 -22.427 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.081 -23.813 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.968 -22.916 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.486 -24.129 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.979 -22.030 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 23.336 -22.410 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.804 -21.234 -6.461 1.00 0.00 H new ATOM 804 N LYS A 54 20.539 -25.473 -1.992 1.00 0.00 N ATOM 805 CA LYS A 54 19.760 -25.517 -0.760 1.00 0.00 C ATOM 806 C LYS A 54 18.986 -24.218 -0.559 1.00 0.00 C ATOM 807 O LYS A 54 19.466 -23.138 -0.906 1.00 0.00 O ATOM 808 CB LYS A 54 20.678 -25.767 0.439 1.00 0.00 C ATOM 809 CG LYS A 54 20.871 -27.239 0.760 1.00 0.00 C ATOM 810 CD LYS A 54 19.824 -27.737 1.744 1.00 0.00 C ATOM 811 CE LYS A 54 20.103 -27.240 3.154 1.00 0.00 C ATOM 812 NZ LYS A 54 21.308 -27.889 3.742 1.00 0.00 N ATOM 0 H LYS A 54 21.295 -24.788 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 54 19.046 -26.336 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.651 -25.316 0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.265 -25.264 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 54 20.815 -27.823 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.866 -27.394 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.837 -27.401 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 54 19.807 -28.827 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.244 -26.159 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.238 -27.438 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.323 -27.727 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.279 -28.911 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.165 -27.483 3.315 1.00 0.00 H new ATOM 826 N LEU A 55 17.789 -24.329 0.005 1.00 0.00 N ATOM 827 CA LEU A 55 16.949 -23.163 0.254 1.00 0.00 C ATOM 828 C LEU A 55 17.150 -22.640 1.673 1.00 0.00 C ATOM 829 O LEU A 55 17.277 -23.416 2.619 1.00 0.00 O ATOM 830 CB LEU A 55 15.476 -23.513 0.032 1.00 0.00 C ATOM 831 CG LEU A 55 14.986 -23.463 -1.416 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.516 -23.845 -1.494 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.212 -22.080 -2.008 1.00 0.00 C ATOM 0 H LEU A 55 17.378 -25.215 0.299 1.00 0.00 H new ATOM 0 HA LEU A 55 17.240 -22.381 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.299 -24.516 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.867 -22.830 0.624 1.00 0.00 H new ATOM 0 HG LEU A 55 15.559 -24.183 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.184 -23.804 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.382 -24.856 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.927 -23.149 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.857 -22.063 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.665 -21.340 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.276 -21.844 -1.986 1.00 0.00 H new ATOM 845 N SER A 56 17.176 -21.318 1.812 1.00 0.00 N ATOM 846 CA SER A 56 17.364 -20.691 3.115 1.00 0.00 C ATOM 847 C SER A 56 16.025 -20.262 3.710 1.00 0.00 C ATOM 848 O SER A 56 15.092 -19.920 2.983 1.00 0.00 O ATOM 849 CB SER A 56 18.291 -19.480 2.994 1.00 0.00 C ATOM 850 OG SER A 56 19.023 -19.276 4.190 1.00 0.00 O ATOM 0 H SER A 56 17.069 -20.661 1.039 1.00 0.00 H new ATOM 0 HA SER A 56 17.820 -21.424 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.980 -19.628 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.704 -18.590 2.767 1.00 0.00 H new ATOM 0 HG SER A 56 19.609 -18.497 4.086 1.00 0.00 H new ATOM 856 N ASP A 57 15.940 -20.285 5.035 1.00 0.00 N ATOM 857 CA ASP A 57 14.717 -19.898 5.729 1.00 0.00 C ATOM 858 C ASP A 57 14.291 -18.487 5.335 1.00 0.00 C ATOM 859 O ASP A 57 13.106 -18.155 5.359 1.00 0.00 O ATOM 860 CB ASP A 57 14.916 -19.980 7.243 1.00 0.00 C ATOM 861 CG ASP A 57 15.457 -21.327 7.683 1.00 0.00 C ATOM 862 OD1 ASP A 57 14.666 -22.291 7.748 1.00 0.00 O ATOM 863 OD2 ASP A 57 16.670 -21.416 7.964 1.00 0.00 O ATOM 0 H ASP A 57 16.703 -20.567 5.650 1.00 0.00 H new ATOM 0 HA ASP A 57 13.928 -20.591 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.603 -19.195 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.965 -19.793 7.742 1.00 0.00 H new ATOM 868 N LEU A 58 15.266 -17.660 4.974 1.00 0.00 N ATOM 869 CA LEU A 58 14.994 -16.283 4.576 1.00 0.00 C ATOM 870 C LEU A 58 14.241 -16.239 3.250 1.00 0.00 C ATOM 871 O LEU A 58 13.331 -15.430 3.070 1.00 0.00 O ATOM 872 CB LEU A 58 16.301 -15.497 4.459 1.00 0.00 C ATOM 873 CG LEU A 58 16.958 -15.088 5.778 1.00 0.00 C ATOM 874 CD1 LEU A 58 15.972 -14.326 6.651 1.00 0.00 C ATOM 875 CD2 LEU A 58 17.489 -16.310 6.512 1.00 0.00 C ATOM 0 H LEU A 58 16.252 -17.919 4.949 1.00 0.00 H new ATOM 0 HA LEU A 58 14.370 -15.825 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.013 -16.097 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.109 -14.596 3.877 1.00 0.00 H new ATOM 0 HG LEU A 58 17.798 -14.431 5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.457 -14.043 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.641 -13.429 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.111 -14.959 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 58 17.953 -15.999 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.666 -16.993 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.229 -16.815 5.891 1.00 0.00 H new ATOM 887 N GLU A 59 14.625 -17.115 2.327 1.00 0.00 N ATOM 888 CA GLU A 59 13.984 -17.176 1.019 1.00 0.00 C ATOM 889 C GLU A 59 12.844 -18.191 1.018 1.00 0.00 C ATOM 890 O GLU A 59 12.062 -18.260 0.070 1.00 0.00 O ATOM 891 CB GLU A 59 15.007 -17.541 -0.058 1.00 0.00 C ATOM 892 CG GLU A 59 16.206 -16.607 -0.100 1.00 0.00 C ATOM 893 CD GLU A 59 15.876 -15.263 -0.720 1.00 0.00 C ATOM 894 OE1 GLU A 59 15.962 -15.145 -1.960 1.00 0.00 O ATOM 895 OE2 GLU A 59 15.534 -14.329 0.035 1.00 0.00 O ATOM 0 H GLU A 59 15.376 -17.792 2.461 1.00 0.00 H new ATOM 0 HA GLU A 59 13.571 -16.192 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.356 -18.559 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.516 -17.533 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.579 -16.454 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.009 -17.078 -0.667 1.00 0.00 H new ATOM 902 N ARG A 60 12.759 -18.977 2.086 1.00 0.00 N ATOM 903 CA ARG A 60 11.717 -19.989 2.208 1.00 0.00 C ATOM 904 C ARG A 60 10.355 -19.343 2.446 1.00 0.00 C ATOM 905 O ARG A 60 10.060 -18.881 3.548 1.00 0.00 O ATOM 906 CB ARG A 60 12.043 -20.952 3.352 1.00 0.00 C ATOM 907 CG ARG A 60 11.285 -22.267 3.276 1.00 0.00 C ATOM 908 CD ARG A 60 11.977 -23.356 4.081 1.00 0.00 C ATOM 909 NE ARG A 60 11.039 -24.376 4.541 1.00 0.00 N ATOM 910 CZ ARG A 60 10.226 -24.213 5.579 1.00 0.00 C ATOM 911 NH1 ARG A 60 10.236 -23.076 6.261 1.00 0.00 N ATOM 912 NH2 ARG A 60 9.400 -25.188 5.937 1.00 0.00 N ATOM 0 H ARG A 60 13.399 -18.932 2.879 1.00 0.00 H new ATOM 0 HA ARG A 60 11.677 -20.546 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.113 -21.159 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.816 -20.466 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.271 -22.126 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.201 -22.580 2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.749 -23.823 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.477 -22.909 4.940 1.00 0.00 H new ATOM 0 HE ARG A 60 11.006 -25.263 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.869 -22.324 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.611 -22.954 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.389 -26.064 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.776 -25.061 6.734 1.00 0.00 H new ATOM 926 N VAL A 61 9.530 -19.313 1.405 1.00 0.00 N ATOM 927 CA VAL A 61 8.200 -18.724 1.500 1.00 0.00 C ATOM 928 C VAL A 61 7.252 -19.630 2.279 1.00 0.00 C ATOM 929 O VAL A 61 6.791 -20.651 1.768 1.00 0.00 O ATOM 930 CB VAL A 61 7.604 -18.455 0.105 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.197 -17.891 0.225 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.500 -17.511 -0.683 1.00 0.00 C ATOM 0 H VAL A 61 9.759 -19.690 0.485 1.00 0.00 H new ATOM 0 HA VAL A 61 8.310 -17.777 2.029 1.00 0.00 H new ATOM 0 HB VAL A 61 7.546 -19.400 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.792 -17.707 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.562 -18.606 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.227 -16.955 0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.064 -17.332 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.592 -16.565 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.487 -17.959 -0.800 1.00 0.00 H new ATOM 942 N THR A 62 6.964 -19.248 3.519 1.00 0.00 N ATOM 943 CA THR A 62 6.072 -20.025 4.370 1.00 0.00 C ATOM 944 C THR A 62 4.641 -19.505 4.286 1.00 0.00 C ATOM 945 O THR A 62 4.383 -18.465 3.680 1.00 0.00 O ATOM 946 CB THR A 62 6.530 -19.996 5.840 1.00 0.00 C ATOM 947 OG1 THR A 62 6.026 -18.823 6.488 1.00 0.00 O ATOM 948 CG2 THR A 62 8.049 -20.020 5.934 1.00 0.00 C ATOM 0 H THR A 62 7.336 -18.405 3.956 1.00 0.00 H new ATOM 0 HA THR A 62 6.105 -21.052 4.007 1.00 0.00 H new ATOM 0 HB THR A 62 6.136 -20.882 6.337 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.321 -18.813 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.349 -19.999 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.428 -20.929 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.459 -19.150 5.422 1.00 0.00 H new ATOM 956 N SER A 63 3.714 -20.236 4.897 1.00 0.00 N ATOM 957 CA SER A 63 2.308 -19.850 4.889 1.00 0.00 C ATOM 958 C SER A 63 2.123 -18.458 5.486 1.00 0.00 C ATOM 959 O SER A 63 1.260 -17.693 5.053 1.00 0.00 O ATOM 960 CB SER A 63 1.473 -20.867 5.668 1.00 0.00 C ATOM 961 OG SER A 63 1.833 -20.880 7.039 1.00 0.00 O ATOM 0 H SER A 63 3.911 -21.099 5.404 1.00 0.00 H new ATOM 0 HA SER A 63 1.969 -19.830 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.415 -20.625 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.614 -21.860 5.242 1.00 0.00 H new ATOM 0 HG SER A 63 1.284 -21.537 7.515 1.00 0.00 H new ATOM 967 N LEU A 64 2.939 -18.137 6.484 1.00 0.00 N ATOM 968 CA LEU A 64 2.867 -16.837 7.143 1.00 0.00 C ATOM 969 C LEU A 64 3.361 -15.730 6.218 1.00 0.00 C ATOM 970 O LEU A 64 2.755 -14.662 6.131 1.00 0.00 O ATOM 971 CB LEU A 64 3.693 -16.850 8.430 1.00 0.00 C ATOM 972 CG LEU A 64 3.866 -15.501 9.130 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.513 -14.905 9.482 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.725 -15.653 10.376 1.00 0.00 C ATOM 0 H LEU A 64 3.658 -18.758 6.855 1.00 0.00 H new ATOM 0 HA LEU A 64 1.824 -16.639 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.227 -17.543 9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.682 -17.247 8.200 1.00 0.00 H new ATOM 0 HG LEU A 64 4.372 -14.820 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.656 -13.946 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.932 -14.759 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.979 -15.583 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.837 -14.683 10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.247 -16.350 11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.707 -16.035 10.097 1.00 0.00 H new ATOM 986 N LYS A 65 4.465 -15.992 5.527 1.00 0.00 N ATOM 987 CA LYS A 65 5.041 -15.020 4.605 1.00 0.00 C ATOM 988 C LYS A 65 4.051 -14.667 3.500 1.00 0.00 C ATOM 989 O LYS A 65 3.981 -13.519 3.059 1.00 0.00 O ATOM 990 CB LYS A 65 6.331 -15.569 3.993 1.00 0.00 C ATOM 991 CG LYS A 65 7.571 -15.270 4.818 1.00 0.00 C ATOM 992 CD LYS A 65 8.824 -15.832 4.166 1.00 0.00 C ATOM 993 CE LYS A 65 9.994 -15.856 5.137 1.00 0.00 C ATOM 994 NZ LYS A 65 9.963 -17.059 6.013 1.00 0.00 N ATOM 0 H LYS A 65 4.980 -16.871 5.588 1.00 0.00 H new ATOM 0 HA LYS A 65 5.270 -14.114 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.236 -16.648 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.458 -15.148 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.676 -14.192 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.457 -15.695 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.627 -16.842 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.084 -15.229 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.930 -15.838 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.973 -14.957 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.683 -16.965 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.023 -17.147 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.161 -17.907 5.445 1.00 0.00 H new ATOM 1008 N VAL A 66 3.287 -15.660 3.056 1.00 0.00 N ATOM 1009 CA VAL A 66 2.299 -15.453 2.004 1.00 0.00 C ATOM 1010 C VAL A 66 1.180 -14.531 2.474 1.00 0.00 C ATOM 1011 O VAL A 66 0.679 -13.705 1.711 1.00 0.00 O ATOM 1012 CB VAL A 66 1.688 -16.787 1.538 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.579 -16.542 0.526 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.764 -17.690 0.953 1.00 0.00 C ATOM 0 H VAL A 66 3.333 -16.616 3.409 1.00 0.00 H new ATOM 0 HA VAL A 66 2.821 -14.989 1.167 1.00 0.00 H new ATOM 0 HB VAL A 66 1.254 -17.289 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.159 -17.496 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.203 -15.936 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.985 -16.018 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.315 -18.629 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.229 -17.196 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.520 -17.893 1.711 1.00 0.00 H new ATOM 1024 N TYR A 67 0.792 -14.677 3.736 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.271 -13.858 4.309 1.00 0.00 C ATOM 1026 C TYR A 67 0.170 -12.403 4.434 1.00 0.00 C ATOM 1027 O TYR A 67 -0.623 -11.484 4.237 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.676 -14.399 5.681 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.880 -13.703 6.275 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.111 -13.729 5.630 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.787 -13.019 7.481 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.213 -13.094 6.169 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.884 -12.382 8.027 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.094 -12.421 7.367 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.190 -11.788 7.908 1.00 0.00 O ATOM 0 H TYR A 67 1.197 -15.354 4.382 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.130 -13.902 3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.889 -15.464 5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.166 -14.297 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.208 -14.255 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.841 -12.985 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.162 -13.124 5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.795 -11.856 8.966 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.938 -11.362 8.754 1.00 0.00 H new ATOM 1045 N ASN A 68 1.443 -12.203 4.761 1.00 0.00 N ATOM 1046 CA ASN A 68 1.991 -10.860 4.912 1.00 0.00 C ATOM 1047 C ASN A 68 1.971 -10.111 3.583 1.00 0.00 C ATOM 1048 O ASN A 68 1.611 -8.936 3.527 1.00 0.00 O ATOM 1049 CB ASN A 68 3.422 -10.929 5.450 1.00 0.00 C ATOM 1050 CG ASN A 68 3.470 -10.923 6.966 1.00 0.00 C ATOM 1051 OD1 ASN A 68 3.199 -9.905 7.603 1.00 0.00 O ATOM 1052 ND2 ASN A 68 3.818 -12.064 7.551 1.00 0.00 N ATOM 0 H ASN A 68 2.114 -12.953 4.926 1.00 0.00 H new ATOM 0 HA ASN A 68 1.368 -10.318 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.904 -11.833 5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.992 -10.082 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.869 -12.121 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.034 -12.883 6.983 1.00 0.00 H new ATOM 1059 N TRP A 69 2.359 -10.801 2.516 1.00 0.00 N ATOM 1060 CA TRP A 69 2.385 -10.202 1.187 1.00 0.00 C ATOM 1061 C TRP A 69 0.972 -9.915 0.691 1.00 0.00 C ATOM 1062 O TRP A 69 0.699 -8.845 0.148 1.00 0.00 O ATOM 1063 CB TRP A 69 3.107 -11.124 0.203 1.00 0.00 C ATOM 1064 CG TRP A 69 3.190 -10.563 -1.184 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.245 -9.894 -1.736 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.178 -10.622 -2.195 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.950 -9.533 -3.028 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.687 -9.969 -3.334 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.891 -11.165 -2.249 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.954 -9.844 -4.511 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.164 -11.040 -3.418 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.697 -10.385 -4.536 1.00 0.00 C ATOM 0 H TRP A 69 2.660 -11.775 2.546 1.00 0.00 H new ATOM 0 HA TRP A 69 2.926 -9.258 1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.115 -11.317 0.570 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.591 -12.083 0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.175 -9.680 -1.231 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.570 -9.023 -3.657 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.472 -11.673 -1.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.363 -9.338 -5.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.832 -11.454 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.104 -10.305 -5.435 1.00 0.00 H new ATOM 1083 N PHE A 70 0.076 -10.878 0.882 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.310 -10.729 0.453 1.00 0.00 C ATOM 1085 C PHE A 70 -1.993 -9.591 1.206 1.00 0.00 C ATOM 1086 O PHE A 70 -2.684 -8.766 0.611 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.077 -12.034 0.673 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.046 -12.956 -0.513 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.861 -13.551 -0.913 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.202 -13.226 -1.227 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.828 -14.399 -2.004 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.176 -14.074 -2.318 1.00 0.00 C ATOM 1093 CZ PHE A 70 -1.988 -14.660 -2.708 1.00 0.00 C ATOM 0 H PHE A 70 0.285 -11.770 1.331 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.311 -10.490 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.658 -12.551 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.114 -11.800 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.048 -13.350 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.134 -12.769 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.103 -14.857 -2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.084 -14.278 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.966 -15.321 -3.562 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.794 -9.556 2.520 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.389 -8.520 3.355 1.00 0.00 C ATOM 1105 C ALA A 71 -1.943 -7.132 2.908 1.00 0.00 C ATOM 1106 O ALA A 71 -2.711 -6.173 2.970 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.029 -8.747 4.815 1.00 0.00 C ATOM 0 H ALA A 71 -1.225 -10.233 3.029 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.472 -8.578 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.480 -7.966 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.403 -9.720 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.946 -8.719 4.931 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.696 -7.032 2.459 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.148 -5.760 2.003 1.00 0.00 C ATOM 1115 C ASN A 72 -0.886 -5.262 0.764 1.00 0.00 C ATOM 1116 O ASN A 72 -1.150 -4.067 0.625 1.00 0.00 O ATOM 1117 CB ASN A 72 1.344 -5.904 1.697 1.00 0.00 C ATOM 1118 CG ASN A 72 2.101 -4.603 1.882 1.00 0.00 C ATOM 1119 OD1 ASN A 72 2.056 -3.719 1.027 1.00 0.00 O ATOM 1120 ND2 ASN A 72 2.802 -4.481 3.003 1.00 0.00 N ATOM 0 H ASN A 72 -0.046 -7.816 2.401 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.280 -5.030 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.773 -6.666 2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.470 -6.252 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.332 -3.628 3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.810 -5.240 3.684 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.217 -6.186 -0.132 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.924 -5.841 -1.360 1.00 0.00 C ATOM 1129 C ARG A 73 -3.358 -5.412 -1.059 1.00 0.00 C ATOM 1130 O ARG A 73 -3.825 -4.385 -1.551 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.928 -7.029 -2.323 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.916 -6.882 -3.468 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.471 -5.813 -4.454 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.477 -5.566 -5.484 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.198 -5.043 -6.672 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.951 -4.713 -6.979 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.168 -4.848 -7.557 1.00 0.00 N ATOM 0 H ARG A 73 -1.007 -7.179 -0.031 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.403 -5.006 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.926 -7.157 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.163 -7.936 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.019 -7.836 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.899 -6.626 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.267 -4.887 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.537 -6.120 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.446 -5.808 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.203 -4.861 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.740 -4.311 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.129 -5.100 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.953 -4.446 -8.469 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.050 -6.207 -0.249 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.430 -5.911 0.116 1.00 0.00 C ATOM 1153 C ARG A 74 -5.540 -4.527 0.750 1.00 0.00 C ATOM 1154 O ARG A 74 -6.409 -3.734 0.389 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.963 -6.970 1.082 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.916 -8.383 0.523 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.031 -9.245 1.094 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.749 -9.668 2.463 1.00 0.00 N ATOM 1159 CZ ARG A 74 -5.984 -10.710 2.768 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.427 -11.432 1.806 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.774 -11.032 4.038 1.00 0.00 N ATOM 0 H ARG A 74 -3.677 -7.061 0.167 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.031 -5.924 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.383 -6.934 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.993 -6.726 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.001 -8.349 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.951 -8.835 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.967 -8.688 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.169 -10.124 0.464 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.162 -9.134 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.585 -11.188 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.840 -12.232 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.200 -10.479 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.186 -11.833 4.271 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.653 -4.245 1.698 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.649 -2.958 2.383 1.00 0.00 C ATOM 1177 C LYS A 75 -4.218 -1.840 1.439 1.00 0.00 C ATOM 1178 O LYS A 75 -4.678 -0.705 1.555 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.714 -3.005 3.594 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.241 -2.989 3.227 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.366 -2.731 4.442 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.413 -3.895 5.420 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.382 -4.923 5.110 1.00 0.00 N ATOM 0 H LYS A 75 -3.927 -4.891 2.010 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.664 -2.752 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.928 -2.154 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.926 -3.905 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.967 -3.943 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.060 -2.219 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.337 -2.564 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.696 -1.820 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.262 -3.524 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.402 -4.353 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.022 -5.288 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.819 -5.705 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.372 -4.496 4.536 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.333 -2.170 0.503 1.00 0.00 N ATOM 1198 CA GLU A 76 -2.841 -1.193 -0.461 1.00 0.00 C ATOM 1199 C GLU A 76 -3.938 -0.805 -1.449 1.00 0.00 C ATOM 1200 O GLU A 76 -4.035 0.352 -1.861 1.00 0.00 O ATOM 1201 CB GLU A 76 -1.633 -1.752 -1.216 1.00 0.00 C ATOM 1202 CG GLU A 76 -0.306 -1.473 -0.532 1.00 0.00 C ATOM 1203 CD GLU A 76 -0.002 0.009 -0.429 1.00 0.00 C ATOM 1204 OE1 GLU A 76 0.125 0.663 -1.486 1.00 0.00 O ATOM 1205 OE2 GLU A 76 0.109 0.515 0.707 1.00 0.00 O ATOM 0 H GLU A 76 -2.943 -3.106 0.392 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.536 -0.301 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.754 -2.829 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.612 -1.325 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.318 -1.908 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.494 -1.966 -1.084 1.00 0.00 H new ATOM 1212 N ILE A 77 -4.759 -1.779 -1.825 1.00 0.00 N ATOM 1213 CA ILE A 77 -5.848 -1.540 -2.764 1.00 0.00 C ATOM 1214 C ILE A 77 -7.054 -0.925 -2.062 1.00 0.00 C ATOM 1215 O ILE A 77 -7.737 -0.063 -2.615 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.284 -2.840 -3.464 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -6.796 -3.852 -2.437 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.127 -3.426 -4.261 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.307 -5.135 -3.055 1.00 0.00 C ATOM 0 H ILE A 77 -4.691 -2.741 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.471 -0.843 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.096 -2.609 -4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.992 -4.089 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.597 -3.394 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.451 -4.345 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.804 -2.708 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.297 -3.645 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.654 -5.805 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.133 -4.910 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.503 -5.616 -3.613 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.310 -1.374 -0.837 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.432 -0.867 -0.056 1.00 0.00 C ATOM 1233 C LYS A 78 -8.191 0.578 0.369 1.00 0.00 C ATOM 1234 O LYS A 78 -9.117 1.389 0.400 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.656 -1.742 1.180 1.00 0.00 C ATOM 1236 CG LYS A 78 -7.756 -1.385 2.349 1.00 0.00 C ATOM 1237 CD LYS A 78 -8.386 -0.323 3.235 1.00 0.00 C ATOM 1238 CE LYS A 78 -7.608 -0.142 4.529 1.00 0.00 C ATOM 1239 NZ LYS A 78 -7.999 1.105 5.242 1.00 0.00 N ATOM 0 H LYS A 78 -6.755 -2.088 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.323 -0.899 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.696 -1.654 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.491 -2.785 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.553 -2.279 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.797 -1.026 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.425 0.624 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.415 -0.602 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.779 -1.000 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.541 -0.116 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.446 1.192 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.812 1.927 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.012 1.069 5.474 1.00 0.00 H new ATOM 1253 N ARG A 79 -6.941 0.894 0.693 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.578 2.242 1.115 1.00 0.00 C ATOM 1255 C ARG A 79 -6.594 3.205 -0.068 1.00 0.00 C ATOM 1256 O ARG A 79 -7.076 4.332 0.043 1.00 0.00 O ATOM 1257 CB ARG A 79 -5.194 2.240 1.767 1.00 0.00 C ATOM 1258 CG ARG A 79 -4.705 3.624 2.160 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.320 3.568 2.785 1.00 0.00 C ATOM 1260 NE ARG A 79 -3.332 2.901 4.085 1.00 0.00 N ATOM 1261 CZ ARG A 79 -3.249 1.584 4.236 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -3.146 0.797 3.174 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -3.267 1.052 5.451 1.00 0.00 N ATOM 0 H ARG A 79 -6.163 0.235 0.671 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.315 2.578 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.220 1.608 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.478 1.793 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.683 4.267 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.406 4.072 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.641 3.042 2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.933 4.581 2.901 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.408 3.478 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.130 1.203 2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.082 -0.214 3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.345 1.654 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.203 0.040 5.566 1.00 0.00 H new ATOM 1277 N ARG A 80 -6.064 2.752 -1.200 1.00 0.00 N ATOM 1278 CA ARG A 80 -6.015 3.574 -2.403 1.00 0.00 C ATOM 1279 C ARG A 80 -7.410 3.753 -2.996 1.00 0.00 C ATOM 1280 O ARG A 80 -7.718 4.791 -3.580 1.00 0.00 O ATOM 1281 CB ARG A 80 -5.085 2.943 -3.441 1.00 0.00 C ATOM 1282 CG ARG A 80 -5.448 1.509 -3.791 1.00 0.00 C ATOM 1283 CD ARG A 80 -6.453 1.451 -4.931 1.00 0.00 C ATOM 1284 NE ARG A 80 -6.296 0.244 -5.738 1.00 0.00 N ATOM 1285 CZ ARG A 80 -6.826 0.095 -6.947 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -7.543 1.071 -7.485 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -6.639 -1.033 -7.620 1.00 0.00 N ATOM 0 H ARG A 80 -5.663 1.821 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.627 4.555 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.105 3.546 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.063 2.969 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.547 0.962 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.863 1.013 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.464 1.487 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.333 2.329 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.750 -0.526 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.689 1.940 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.949 0.954 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.088 -1.787 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.046 -1.147 -8.548 1.00 0.00 H new ATOM 1301 N ALA A 81 -8.247 2.733 -2.843 1.00 0.00 N ATOM 1302 CA ALA A 81 -9.609 2.777 -3.362 1.00 0.00 C ATOM 1303 C ALA A 81 -10.463 3.769 -2.578 1.00 0.00 C ATOM 1304 O ALA A 81 -11.636 3.971 -2.887 1.00 0.00 O ATOM 1305 CB ALA A 81 -10.235 1.391 -3.321 1.00 0.00 C ATOM 0 H ALA A 81 -8.006 1.865 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.566 3.113 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.252 1.439 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.644 0.707 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.258 1.033 -2.292 1.00 0.00 H new ATOM 1311 N ASN A 82 -9.865 4.384 -1.563 1.00 0.00 N ATOM 1312 CA ASN A 82 -10.572 5.354 -0.734 1.00 0.00 C ATOM 1313 C ASN A 82 -10.091 6.772 -1.026 1.00 0.00 C ATOM 1314 O ASN A 82 -10.414 7.710 -0.297 1.00 0.00 O ATOM 1315 CB ASN A 82 -10.372 5.031 0.748 1.00 0.00 C ATOM 1316 CG ASN A 82 -11.562 5.441 1.595 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -12.698 5.459 1.122 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -11.304 5.775 2.854 1.00 0.00 N ATOM 0 H ASN A 82 -8.893 4.228 -1.295 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.634 5.293 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.199 3.961 0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.479 5.540 1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.064 6.061 3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.346 5.745 3.203 1.00 0.00 H new ATOM 1325 N ILE A 83 -9.319 6.920 -2.097 1.00 0.00 N ATOM 1326 CA ILE A 83 -8.795 8.223 -2.486 1.00 0.00 C ATOM 1327 C ILE A 83 -9.880 9.081 -3.129 1.00 0.00 C ATOM 1328 O ILE A 83 -9.672 9.670 -4.189 1.00 0.00 O ATOM 1329 CB ILE A 83 -7.616 8.086 -3.468 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -6.516 7.215 -2.858 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -7.071 9.458 -3.836 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -5.590 6.604 -3.886 1.00 0.00 C ATOM 0 H ILE A 83 -9.043 6.154 -2.711 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.443 8.707 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.973 7.603 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.929 7.818 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.977 6.417 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.238 9.345 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.858 10.048 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.726 9.966 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.835 6.000 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.165 5.975 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.101 7.397 -4.452 1.00 0.00 H new ATOM 1344 N ALA A 84 -11.037 9.149 -2.478 1.00 0.00 N ATOM 1345 CA ALA A 84 -12.153 9.938 -2.983 1.00 0.00 C ATOM 1346 C ALA A 84 -12.328 11.221 -2.177 1.00 0.00 C ATOM 1347 O ALA A 84 -13.106 11.265 -1.225 1.00 0.00 O ATOM 1348 CB ALA A 84 -13.434 9.118 -2.958 1.00 0.00 C ATOM 0 H ALA A 84 -11.225 8.667 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.932 10.215 -4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.259 9.720 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.312 8.234 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -13.650 8.812 -1.934 1.00 0.00 H new ATOM 1354 N ALA A 85 -11.599 12.262 -2.565 1.00 0.00 N ATOM 1355 CA ALA A 85 -11.675 13.546 -1.879 1.00 0.00 C ATOM 1356 C ALA A 85 -12.806 14.402 -2.439 1.00 0.00 C ATOM 1357 O ALA A 85 -12.795 14.768 -3.615 1.00 0.00 O ATOM 1358 CB ALA A 85 -10.348 14.282 -1.989 1.00 0.00 C ATOM 0 H ALA A 85 -10.949 12.241 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.886 13.356 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.419 15.239 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.560 13.682 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.113 14.453 -3.039 1.00 0.00 H new ATOM 1364 N ILE A 86 -13.779 14.716 -1.592 1.00 0.00 N ATOM 1365 CA ILE A 86 -14.917 15.530 -2.004 1.00 0.00 C ATOM 1366 C ILE A 86 -14.875 16.905 -1.347 1.00 0.00 C ATOM 1367 O ILE A 86 -15.907 17.445 -0.945 1.00 0.00 O ATOM 1368 CB ILE A 86 -16.252 14.847 -1.655 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -16.131 13.330 -1.813 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -17.369 15.389 -2.535 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -15.668 12.900 -3.187 1.00 0.00 C ATOM 0 H ILE A 86 -13.803 14.420 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.849 15.645 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 86 -16.495 15.066 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -15.432 12.950 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -17.098 12.873 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -18.307 14.897 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -17.467 16.463 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -17.134 15.196 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -15.605 11.813 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -16.378 13.250 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -14.686 13.328 -3.390 1.00 0.00 H new ATOM 1383 N LEU A 87 -13.677 17.469 -1.242 1.00 0.00 N ATOM 1384 CA LEU A 87 -13.500 18.784 -0.636 1.00 0.00 C ATOM 1385 C LEU A 87 -13.028 19.801 -1.670 1.00 0.00 C ATOM 1386 O LEU A 87 -13.537 20.920 -1.730 1.00 0.00 O ATOM 1387 CB LEU A 87 -12.495 18.706 0.514 1.00 0.00 C ATOM 1388 CG LEU A 87 -13.076 18.389 1.893 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -13.235 16.887 2.073 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -12.195 18.970 2.990 1.00 0.00 C ATOM 0 H LEU A 87 -12.813 17.036 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.464 19.110 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.753 17.945 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.967 19.658 0.574 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.062 18.849 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.650 16.681 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.907 16.498 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.262 16.404 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.624 18.735 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.196 18.540 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.134 20.052 2.873 1.00 0.00 H new ATOM 1402 N GLU A 88 -12.055 19.403 -2.483 1.00 0.00 N ATOM 1403 CA GLU A 88 -11.517 20.281 -3.516 1.00 0.00 C ATOM 1404 C GLU A 88 -11.468 19.569 -4.864 1.00 0.00 C ATOM 1405 O GLU A 88 -11.846 18.403 -4.976 1.00 0.00 O ATOM 1406 CB GLU A 88 -10.116 20.760 -3.129 1.00 0.00 C ATOM 1407 CG GLU A 88 -9.074 19.654 -3.125 1.00 0.00 C ATOM 1408 CD GLU A 88 -7.656 20.189 -3.060 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -7.371 21.196 -3.742 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -6.833 19.601 -2.329 1.00 0.00 O ATOM 0 H GLU A 88 -11.623 18.480 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.178 21.144 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.803 21.540 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.157 21.213 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.250 18.997 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.189 19.048 -4.024 1.00 0.00 H new ATOM 1417 N SER A 89 -11.001 20.279 -5.886 1.00 0.00 N ATOM 1418 CA SER A 89 -10.907 19.717 -7.228 1.00 0.00 C ATOM 1419 C SER A 89 -9.579 18.990 -7.421 1.00 0.00 C ATOM 1420 O SER A 89 -8.569 19.601 -7.769 1.00 0.00 O ATOM 1421 CB SER A 89 -11.054 20.821 -8.277 1.00 0.00 C ATOM 1422 OG SER A 89 -10.719 20.345 -9.569 1.00 0.00 O ATOM 0 H SER A 89 -10.682 21.245 -5.810 1.00 0.00 H new ATOM 0 HA SER A 89 -11.716 18.998 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.079 21.192 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.410 21.662 -8.018 1.00 0.00 H new ATOM 0 HG SER A 89 -10.823 21.069 -10.221 1.00 0.00 H new ATOM 1428 N SER A 90 -9.591 17.681 -7.193 1.00 0.00 N ATOM 1429 CA SER A 90 -8.388 16.869 -7.337 1.00 0.00 C ATOM 1430 C SER A 90 -8.735 15.464 -7.818 1.00 0.00 C ATOM 1431 O SER A 90 -9.427 14.714 -7.131 1.00 0.00 O ATOM 1432 CB SER A 90 -7.635 16.794 -6.007 1.00 0.00 C ATOM 1433 OG SER A 90 -6.310 16.328 -6.197 1.00 0.00 O ATOM 0 H SER A 90 -10.420 17.160 -6.908 1.00 0.00 H new ATOM 0 HA SER A 90 -7.748 17.341 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.614 17.779 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.163 16.129 -5.323 1.00 0.00 H new ATOM 0 HG SER A 90 -5.849 16.291 -5.333 1.00 0.00 H new ATOM 1439 N GLY A 91 -8.248 15.114 -9.005 1.00 0.00 N ATOM 1440 CA GLY A 91 -8.517 13.800 -9.559 1.00 0.00 C ATOM 1441 C GLY A 91 -10.000 13.495 -9.635 1.00 0.00 C ATOM 1442 O GLY A 91 -10.732 14.063 -10.445 1.00 0.00 O ATOM 0 H GLY A 91 -7.672 15.717 -9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.084 13.734 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.025 13.044 -8.948 1.00 0.00 H new ATOM 1446 N PRO A 92 -10.464 12.577 -8.774 1.00 0.00 N ATOM 1447 CA PRO A 92 -11.873 12.175 -8.727 1.00 0.00 C ATOM 1448 C PRO A 92 -12.773 13.280 -8.185 1.00 0.00 C ATOM 1449 O PRO A 92 -12.959 13.404 -6.974 1.00 0.00 O ATOM 1450 CB PRO A 92 -11.869 10.975 -7.778 1.00 0.00 C ATOM 1451 CG PRO A 92 -10.672 11.179 -6.914 1.00 0.00 C ATOM 1452 CD PRO A 92 -9.648 11.860 -7.779 1.00 0.00 C ATOM 0 HA PRO A 92 -12.265 11.950 -9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.783 10.936 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.805 10.036 -8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.917 11.790 -6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.295 10.228 -6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.025 12.544 -7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.979 11.141 -8.251 1.00 0.00 H new ATOM 1460 N SER A 93 -13.330 14.081 -9.088 1.00 0.00 N ATOM 1461 CA SER A 93 -14.208 15.178 -8.699 1.00 0.00 C ATOM 1462 C SER A 93 -15.672 14.804 -8.912 1.00 0.00 C ATOM 1463 O SER A 93 -16.200 14.924 -10.018 1.00 0.00 O ATOM 1464 CB SER A 93 -13.870 16.438 -9.500 1.00 0.00 C ATOM 1465 OG SER A 93 -12.653 17.013 -9.056 1.00 0.00 O ATOM 0 H SER A 93 -13.189 13.991 -10.094 1.00 0.00 H new ATOM 0 HA SER A 93 -14.052 15.377 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.794 16.190 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.677 17.164 -9.400 1.00 0.00 H new ATOM 0 HG SER A 93 -12.458 17.815 -9.584 1.00 0.00 H new ATOM 1471 N SER A 94 -16.321 14.350 -7.845 1.00 0.00 N ATOM 1472 CA SER A 94 -17.723 13.954 -7.914 1.00 0.00 C ATOM 1473 C SER A 94 -18.557 15.028 -8.605 1.00 0.00 C ATOM 1474 O SER A 94 -19.284 14.749 -9.557 1.00 0.00 O ATOM 1475 CB SER A 94 -18.270 13.691 -6.510 1.00 0.00 C ATOM 1476 OG SER A 94 -17.868 12.417 -6.036 1.00 0.00 O ATOM 0 H SER A 94 -15.899 14.247 -6.922 1.00 0.00 H new ATOM 0 HA SER A 94 -17.788 13.036 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.917 14.464 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.358 13.751 -6.523 1.00 0.00 H new ATOM 0 HG SER A 94 -18.229 12.274 -5.136 1.00 0.00 H new ATOM 1482 N GLY A 95 -18.446 16.260 -8.116 1.00 0.00 N ATOM 1483 CA GLY A 95 -19.196 17.359 -8.697 1.00 0.00 C ATOM 1484 C GLY A 95 -19.295 17.259 -10.206 1.00 0.00 C ATOM 1485 O GLY A 95 -20.377 17.401 -10.774 1.00 0.00 O ATOM 0 H GLY A 95 -17.851 16.516 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.199 17.376 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.720 18.302 -8.429 1.00 0.00 H new TER 1489 GLY A 95