USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl -160:sc= -9.69! (180deg=-11.3!) USER MOD Set 1.2: A 57 TYR OH : rot -11:sc= -1.75 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -1.02 X(o=-0.74,f=-0.29) USER MOD Set 2.2: A 73 THR OG1 : rot 149:sc= 0.279 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.21) USER MOD Set 4.1: A 21 SER OG : rot -160:sc= -0.43 USER MOD Set 4.2: A 52 MET CE :methyl 154:sc= 0 (180deg=0) 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 113:sc= -0.897 USER MOD Single : A 26 SER OG : rot 140:sc= 1.09 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0.0585 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -177:sc= -8.11! (180deg=-8.76!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -142:sc= -2.06 (180deg=-4.34!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -11:sc= -0.945 USER MOD Single : A 82 THR OG1 : rot 180:sc=0.000822 USER MOD Single : A 83 SER OG : rot 7:sc= -0.545 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 17:sc= 0.576 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.097 10.674 -10.756 1.00 0.00 N ATOM 2 CA GLY A 1 4.617 12.043 -10.839 1.00 0.00 C ATOM 3 C GLY A 1 5.081 12.861 -9.632 1.00 0.00 C ATOM 4 O GLY A 1 5.791 13.853 -9.786 1.00 0.00 O ATOM 0 H1 GLY A 1 4.769 10.140 -11.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.137 10.672 -10.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.729 10.229 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.981 12.505 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.528 12.048 -10.889 1.00 0.00 H new ATOM 8 N SER A 2 4.662 12.414 -8.457 1.00 0.00 N ATOM 9 CA SER A 2 5.026 13.092 -7.225 1.00 0.00 C ATOM 10 C SER A 2 6.525 12.934 -6.964 1.00 0.00 C ATOM 11 O SER A 2 7.095 11.874 -7.220 1.00 0.00 O ATOM 12 CB SER A 2 4.221 12.552 -6.041 1.00 0.00 C ATOM 13 OG SER A 2 4.322 13.397 -4.898 1.00 0.00 O ATOM 0 H SER A 2 4.074 11.590 -8.332 1.00 0.00 H new ATOM 0 HA SER A 2 4.793 14.151 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.174 12.454 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.576 11.553 -5.786 1.00 0.00 H new ATOM 0 HG SER A 2 3.793 13.019 -4.164 1.00 0.00 H new ATOM 19 N SER A 3 7.121 14.003 -6.457 1.00 0.00 N ATOM 20 CA SER A 3 8.543 13.996 -6.159 1.00 0.00 C ATOM 21 C SER A 3 8.831 14.906 -4.963 1.00 0.00 C ATOM 22 O SER A 3 8.386 16.052 -4.928 1.00 0.00 O ATOM 23 CB SER A 3 9.363 14.440 -7.372 1.00 0.00 C ATOM 24 OG SER A 3 10.675 13.883 -7.363 1.00 0.00 O ATOM 0 H SER A 3 6.645 14.880 -6.245 1.00 0.00 H new ATOM 0 HA SER A 3 8.835 12.976 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.849 14.142 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.431 15.528 -7.385 1.00 0.00 H new ATOM 0 HG SER A 3 11.166 14.189 -8.154 1.00 0.00 H new ATOM 30 N GLY A 4 9.575 14.361 -4.011 1.00 0.00 N ATOM 31 CA GLY A 4 9.927 15.109 -2.816 1.00 0.00 C ATOM 32 C GLY A 4 9.539 14.338 -1.553 1.00 0.00 C ATOM 33 O GLY A 4 9.407 13.115 -1.583 1.00 0.00 O ATOM 0 H GLY A 4 9.944 13.410 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.999 15.308 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.423 16.075 -2.826 1.00 0.00 H new ATOM 37 N SER A 5 9.369 15.085 -0.472 1.00 0.00 N ATOM 38 CA SER A 5 8.999 14.487 0.800 1.00 0.00 C ATOM 39 C SER A 5 8.313 15.528 1.687 1.00 0.00 C ATOM 40 O SER A 5 8.969 16.203 2.480 1.00 0.00 O ATOM 41 CB SER A 5 10.222 13.906 1.512 1.00 0.00 C ATOM 42 OG SER A 5 10.106 12.500 1.712 1.00 0.00 O ATOM 0 H SER A 5 9.481 16.099 -0.451 1.00 0.00 H new ATOM 0 HA SER A 5 8.304 13.670 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.116 14.116 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.349 14.400 2.475 1.00 0.00 H new ATOM 0 HG SER A 5 10.907 12.167 2.168 1.00 0.00 H new ATOM 48 N SER A 6 7.002 15.625 1.525 1.00 0.00 N ATOM 49 CA SER A 6 6.219 16.572 2.301 1.00 0.00 C ATOM 50 C SER A 6 6.689 18.000 2.013 1.00 0.00 C ATOM 51 O SER A 6 7.786 18.388 2.411 1.00 0.00 O ATOM 52 CB SER A 6 6.319 16.273 3.798 1.00 0.00 C ATOM 53 OG SER A 6 5.321 16.960 4.548 1.00 0.00 O ATOM 0 H SER A 6 6.462 15.063 0.867 1.00 0.00 H new ATOM 0 HA SER A 6 5.174 16.474 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.220 15.200 3.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.306 16.560 4.160 1.00 0.00 H new ATOM 0 HG SER A 6 5.418 16.741 5.498 1.00 0.00 H new ATOM 59 N GLY A 7 5.835 18.742 1.323 1.00 0.00 N ATOM 60 CA GLY A 7 6.149 20.117 0.977 1.00 0.00 C ATOM 61 C GLY A 7 6.562 20.233 -0.492 1.00 0.00 C ATOM 62 O GLY A 7 7.082 19.281 -1.071 1.00 0.00 O ATOM 0 H GLY A 7 4.926 18.416 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.282 20.750 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.955 20.481 1.615 1.00 0.00 H new ATOM 66 N GLY A 8 6.314 21.408 -1.052 1.00 0.00 N ATOM 67 CA GLY A 8 6.653 21.660 -2.443 1.00 0.00 C ATOM 68 C GLY A 8 5.419 22.089 -3.239 1.00 0.00 C ATOM 69 O GLY A 8 4.604 22.872 -2.753 1.00 0.00 O ATOM 0 H GLY A 8 5.883 22.196 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.415 22.437 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.081 20.760 -2.885 1.00 0.00 H new ATOM 73 N PRO A 9 5.318 21.544 -4.481 1.00 0.00 N ATOM 74 CA PRO A 9 4.197 21.863 -5.349 1.00 0.00 C ATOM 75 C PRO A 9 2.928 21.142 -4.891 1.00 0.00 C ATOM 76 O PRO A 9 3.000 20.116 -4.216 1.00 0.00 O ATOM 77 CB PRO A 9 4.647 21.448 -6.740 1.00 0.00 C ATOM 78 CG PRO A 9 5.810 20.491 -6.534 1.00 0.00 C ATOM 79 CD PRO A 9 6.265 20.613 -5.089 1.00 0.00 C ATOM 0 HA PRO A 9 3.936 22.921 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.836 20.965 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.953 22.314 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.505 19.468 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.628 20.732 -7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.249 19.646 -4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.286 20.989 -5.025 1.00 0.00 H new ATOM 87 N PRO A 10 1.763 21.722 -5.288 1.00 0.00 N ATOM 88 CA PRO A 10 0.479 21.147 -4.926 1.00 0.00 C ATOM 89 C PRO A 10 0.182 19.900 -5.761 1.00 0.00 C ATOM 90 O PRO A 10 0.227 19.946 -6.990 1.00 0.00 O ATOM 91 CB PRO A 10 -0.529 22.263 -5.146 1.00 0.00 C ATOM 92 CG PRO A 10 0.155 23.268 -6.059 1.00 0.00 C ATOM 93 CD PRO A 10 1.639 22.937 -6.088 1.00 0.00 C ATOM 0 HA PRO A 10 0.450 20.801 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.442 21.880 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.813 22.725 -4.200 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.266 23.220 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.003 24.283 -5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.989 22.777 -7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.234 23.749 -5.670 1.00 0.00 H new ATOM 101 N THR A 11 -0.115 18.815 -5.061 1.00 0.00 N ATOM 102 CA THR A 11 -0.419 17.558 -5.723 1.00 0.00 C ATOM 103 C THR A 11 -1.933 17.379 -5.859 1.00 0.00 C ATOM 104 O THR A 11 -2.602 16.973 -4.911 1.00 0.00 O ATOM 105 CB THR A 11 0.256 16.433 -4.936 1.00 0.00 C ATOM 106 OG1 THR A 11 1.646 16.616 -5.192 1.00 0.00 O ATOM 107 CG2 THR A 11 -0.050 15.049 -5.511 1.00 0.00 C ATOM 0 H THR A 11 -0.152 18.780 -4.042 1.00 0.00 H new ATOM 0 HA THR A 11 -0.028 17.543 -6.740 1.00 0.00 H new ATOM 0 HB THR A 11 -0.069 16.473 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.159 15.929 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.454 14.288 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.126 14.875 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.304 14.996 -6.541 1.00 0.00 H new ATOM 115 N ARG A 12 -2.429 17.692 -7.048 1.00 0.00 N ATOM 116 CA ARG A 12 -3.851 17.572 -7.320 1.00 0.00 C ATOM 117 C ARG A 12 -4.110 16.413 -8.285 1.00 0.00 C ATOM 118 O ARG A 12 -4.238 16.620 -9.490 1.00 0.00 O ATOM 119 CB ARG A 12 -4.407 18.863 -7.925 1.00 0.00 C ATOM 120 CG ARG A 12 -4.808 19.853 -6.829 1.00 0.00 C ATOM 121 CD ARG A 12 -6.063 20.632 -7.227 1.00 0.00 C ATOM 122 NE ARG A 12 -6.402 21.617 -6.176 1.00 0.00 N ATOM 123 CZ ARG A 12 -6.963 21.300 -5.002 1.00 0.00 C ATOM 124 NH1 ARG A 12 -7.252 20.022 -4.721 1.00 0.00 N ATOM 125 NH2 ARG A 12 -7.236 22.260 -4.108 1.00 0.00 N ATOM 0 H ARG A 12 -1.871 18.028 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.355 17.381 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.658 19.317 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.272 18.634 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.989 19.316 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.988 20.547 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.898 21.143 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.896 19.945 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.195 22.599 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.045 19.291 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.679 19.780 -3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.017 23.233 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.663 22.018 -3.214 1.00 0.00 H new ATOM 139 N ARG A 13 -4.179 15.217 -7.718 1.00 0.00 N ATOM 140 CA ARG A 13 -4.420 14.025 -8.512 1.00 0.00 C ATOM 141 C ARG A 13 -5.626 13.258 -7.966 1.00 0.00 C ATOM 142 O ARG A 13 -6.289 13.717 -7.036 1.00 0.00 O ATOM 143 CB ARG A 13 -3.197 13.106 -8.511 1.00 0.00 C ATOM 144 CG ARG A 13 -2.658 12.912 -7.093 1.00 0.00 C ATOM 145 CD ARG A 13 -3.618 12.070 -6.250 1.00 0.00 C ATOM 146 NE ARG A 13 -4.464 12.950 -5.415 1.00 0.00 N ATOM 147 CZ ARG A 13 -3.993 13.750 -4.449 1.00 0.00 C ATOM 148 NH1 ARG A 13 -2.678 13.784 -4.190 1.00 0.00 N ATOM 149 NH2 ARG A 13 -4.835 14.514 -3.741 1.00 0.00 N ATOM 0 H ARG A 13 -4.072 15.049 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.620 14.343 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.464 12.139 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.418 13.530 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.683 12.426 -7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.510 13.883 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.245 11.459 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.054 11.386 -5.616 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.470 12.948 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.037 13.201 -4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.319 14.393 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.836 14.487 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.476 15.123 -3.006 1.00 0.00 H new ATOM 163 N SER A 14 -5.875 12.104 -8.567 1.00 0.00 N ATOM 164 CA SER A 14 -6.990 11.270 -8.152 1.00 0.00 C ATOM 165 C SER A 14 -7.125 11.296 -6.628 1.00 0.00 C ATOM 166 O SER A 14 -6.160 11.037 -5.911 1.00 0.00 O ATOM 167 CB SER A 14 -6.815 9.832 -8.644 1.00 0.00 C ATOM 168 OG SER A 14 -6.720 9.762 -10.064 1.00 0.00 O ATOM 0 H SER A 14 -5.324 11.727 -9.338 1.00 0.00 H new ATOM 0 HA SER A 14 -7.900 11.670 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.917 9.403 -8.199 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.658 9.228 -8.307 1.00 0.00 H new ATOM 0 HG SER A 14 -5.818 9.474 -10.318 1.00 0.00 H new ATOM 174 N ASP A 15 -8.331 11.612 -6.178 1.00 0.00 N ATOM 175 CA ASP A 15 -8.604 11.675 -4.753 1.00 0.00 C ATOM 176 C ASP A 15 -9.154 10.327 -4.282 1.00 0.00 C ATOM 177 O ASP A 15 -10.331 10.216 -3.945 1.00 0.00 O ATOM 178 CB ASP A 15 -9.650 12.747 -4.440 1.00 0.00 C ATOM 179 CG ASP A 15 -9.082 14.129 -4.111 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.617 14.293 -2.963 1.00 0.00 O ATOM 181 OD2 ASP A 15 -9.126 14.990 -5.016 1.00 0.00 O ATOM 0 H ASP A 15 -9.129 11.827 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.672 11.919 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.320 12.840 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.254 12.409 -3.598 1.00 0.00 H new ATOM 186 N PHE A 16 -8.274 9.336 -4.275 1.00 0.00 N ATOM 187 CA PHE A 16 -8.657 7.999 -3.852 1.00 0.00 C ATOM 188 C PHE A 16 -7.424 7.157 -3.517 1.00 0.00 C ATOM 189 O PHE A 16 -6.758 6.642 -4.414 1.00 0.00 O ATOM 190 CB PHE A 16 -9.398 7.354 -5.025 1.00 0.00 C ATOM 191 CG PHE A 16 -10.504 8.228 -5.619 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.700 8.339 -4.981 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.291 8.894 -6.786 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.726 9.151 -5.533 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.318 9.706 -7.337 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.513 9.817 -6.699 1.00 0.00 C ATOM 0 H PHE A 16 -7.298 9.432 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.280 8.054 -2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.679 7.114 -5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.833 6.412 -4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.869 7.810 -4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.342 8.805 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.676 9.240 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.149 10.235 -8.263 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.294 10.434 -7.118 1.00 0.00 H new ATOM 206 N ARG A 17 -7.159 7.043 -2.224 1.00 0.00 N ATOM 207 CA ARG A 17 -6.018 6.272 -1.760 1.00 0.00 C ATOM 208 C ARG A 17 -6.456 5.267 -0.693 1.00 0.00 C ATOM 209 O ARG A 17 -7.627 5.224 -0.318 1.00 0.00 O ATOM 210 CB ARG A 17 -4.936 7.184 -1.178 1.00 0.00 C ATOM 211 CG ARG A 17 -5.419 7.856 0.109 1.00 0.00 C ATOM 212 CD ARG A 17 -4.349 7.785 1.199 1.00 0.00 C ATOM 213 NE ARG A 17 -3.479 8.981 1.133 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.822 10.187 1.606 1.00 0.00 C ATOM 215 NH1 ARG A 17 -5.018 10.364 2.183 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.969 11.215 1.502 1.00 0.00 N ATOM 0 H ARG A 17 -7.714 7.471 -1.483 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.606 5.741 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.037 6.603 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.664 7.945 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.670 8.898 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.331 7.370 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.821 7.722 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.751 6.882 1.074 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.561 8.881 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.667 9.581 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.280 11.282 2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.058 11.080 1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.230 12.133 1.862 1.00 0.00 H new ATOM 230 N VAL A 18 -5.492 4.482 -0.233 1.00 0.00 N ATOM 231 CA VAL A 18 -5.764 3.481 0.784 1.00 0.00 C ATOM 232 C VAL A 18 -4.614 3.460 1.793 1.00 0.00 C ATOM 233 O VAL A 18 -3.455 3.291 1.416 1.00 0.00 O ATOM 234 CB VAL A 18 -6.007 2.120 0.127 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.267 2.148 -0.741 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.789 1.680 -0.688 1.00 0.00 C ATOM 0 H VAL A 18 -4.522 4.519 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.673 3.730 1.331 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.162 1.388 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.417 1.169 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.129 2.397 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.153 2.898 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.988 0.710 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.589 2.414 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.922 1.602 -0.033 1.00 0.00 H new ATOM 246 N LEU A 19 -4.974 3.634 3.056 1.00 0.00 N ATOM 247 CA LEU A 19 -3.987 3.638 4.122 1.00 0.00 C ATOM 248 C LEU A 19 -3.700 2.197 4.550 1.00 0.00 C ATOM 249 O LEU A 19 -4.622 1.435 4.835 1.00 0.00 O ATOM 250 CB LEU A 19 -4.442 4.541 5.271 1.00 0.00 C ATOM 251 CG LEU A 19 -4.635 6.019 4.926 1.00 0.00 C ATOM 252 CD1 LEU A 19 -3.650 6.462 3.841 1.00 0.00 C ATOM 253 CD2 LEU A 19 -6.086 6.306 4.534 1.00 0.00 C ATOM 0 H LEU A 19 -5.936 3.773 3.365 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.046 4.060 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.383 4.153 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.710 4.469 6.075 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.420 6.609 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.808 7.516 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.629 6.316 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.810 5.869 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.196 7.364 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.353 5.707 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.744 6.053 5.365 1.00 0.00 H new ATOM 265 N VAL A 20 -2.417 1.868 4.581 1.00 0.00 N ATOM 266 CA VAL A 20 -1.996 0.532 4.969 1.00 0.00 C ATOM 267 C VAL A 20 -1.186 0.614 6.264 1.00 0.00 C ATOM 268 O VAL A 20 -0.314 1.470 6.402 1.00 0.00 O ATOM 269 CB VAL A 20 -1.226 -0.127 3.823 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.772 -1.537 4.208 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.063 -0.151 2.543 1.00 0.00 C ATOM 0 H VAL A 20 -1.655 2.503 4.344 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.862 -0.100 5.166 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.335 0.471 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.227 -1.984 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.122 -1.484 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.643 -2.149 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.492 -0.625 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.979 -0.715 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.315 0.869 2.254 1.00 0.00 H new ATOM 281 N SER A 21 -1.504 -0.289 7.181 1.00 0.00 N ATOM 282 CA SER A 21 -0.816 -0.330 8.460 1.00 0.00 C ATOM 283 C SER A 21 -0.628 -1.781 8.907 1.00 0.00 C ATOM 284 O SER A 21 -1.438 -2.646 8.578 1.00 0.00 O ATOM 285 CB SER A 21 -1.585 0.457 9.524 1.00 0.00 C ATOM 286 OG SER A 21 -0.858 1.596 9.975 1.00 0.00 O ATOM 0 H SER A 21 -2.229 -0.997 7.063 1.00 0.00 H new ATOM 0 HA SER A 21 0.162 0.135 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.544 0.777 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.801 -0.194 10.371 1.00 0.00 H new ATOM 0 HG SER A 21 -1.208 1.884 10.844 1.00 0.00 H new ATOM 292 N GLY A 22 0.447 -2.004 9.649 1.00 0.00 N ATOM 293 CA GLY A 22 0.753 -3.335 10.143 1.00 0.00 C ATOM 294 C GLY A 22 1.649 -4.093 9.162 1.00 0.00 C ATOM 295 O GLY A 22 1.383 -5.249 8.838 1.00 0.00 O ATOM 0 H GLY A 22 1.117 -1.284 9.920 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.248 -3.262 11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.172 -3.890 10.299 1.00 0.00 H new ATOM 299 N LEU A 23 2.693 -3.409 8.715 1.00 0.00 N ATOM 300 CA LEU A 23 3.630 -4.003 7.777 1.00 0.00 C ATOM 301 C LEU A 23 4.810 -4.597 8.548 1.00 0.00 C ATOM 302 O LEU A 23 5.089 -4.188 9.674 1.00 0.00 O ATOM 303 CB LEU A 23 4.041 -2.984 6.712 1.00 0.00 C ATOM 304 CG LEU A 23 3.027 -2.737 5.593 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.898 -1.243 5.290 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.382 -3.547 4.344 1.00 0.00 C ATOM 0 H LEU A 23 2.910 -2.450 8.985 1.00 0.00 H new ATOM 0 HA LEU A 23 3.158 -4.823 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.245 -2.034 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.976 -3.316 6.261 1.00 0.00 H new ATOM 0 HG LEU A 23 2.051 -3.081 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.171 -1.095 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.565 -0.718 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.866 -0.850 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.646 -3.354 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.371 -3.256 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.382 -4.609 4.587 1.00 0.00 H new ATOM 318 N PRO A 24 5.490 -5.577 7.894 1.00 0.00 N ATOM 319 CA PRO A 24 6.634 -6.231 8.507 1.00 0.00 C ATOM 320 C PRO A 24 7.862 -5.318 8.487 1.00 0.00 C ATOM 321 O PRO A 24 7.840 -4.255 7.869 1.00 0.00 O ATOM 322 CB PRO A 24 6.830 -7.509 7.708 1.00 0.00 C ATOM 323 CG PRO A 24 6.090 -7.299 6.397 1.00 0.00 C ATOM 324 CD PRO A 24 5.188 -6.087 6.560 1.00 0.00 C ATOM 0 HA PRO A 24 6.476 -6.457 9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.888 -7.701 7.532 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.434 -8.370 8.246 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.796 -7.143 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.502 -8.181 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.390 -5.338 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.137 -6.361 6.469 1.00 0.00 H new ATOM 332 N PRO A 25 8.932 -5.779 9.189 1.00 0.00 N ATOM 333 CA PRO A 25 10.167 -5.017 9.258 1.00 0.00 C ATOM 334 C PRO A 25 10.944 -5.113 7.944 1.00 0.00 C ATOM 335 O PRO A 25 11.809 -4.282 7.668 1.00 0.00 O ATOM 336 CB PRO A 25 10.924 -5.601 10.440 1.00 0.00 C ATOM 337 CG PRO A 25 10.304 -6.964 10.699 1.00 0.00 C ATOM 338 CD PRO A 25 8.994 -7.034 9.933 1.00 0.00 C ATOM 0 HA PRO A 25 9.996 -3.950 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.987 -5.691 10.217 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.836 -4.959 11.316 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.978 -7.757 10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.131 -7.108 11.765 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.973 -7.893 9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.145 -7.136 10.609 1.00 0.00 H new ATOM 346 N SER A 26 10.608 -6.133 7.167 1.00 0.00 N ATOM 347 CA SER A 26 11.264 -6.348 5.889 1.00 0.00 C ATOM 348 C SER A 26 10.330 -5.943 4.747 1.00 0.00 C ATOM 349 O SER A 26 10.750 -5.868 3.593 1.00 0.00 O ATOM 350 CB SER A 26 11.696 -7.807 5.730 1.00 0.00 C ATOM 351 OG SER A 26 12.152 -8.366 6.959 1.00 0.00 O ATOM 0 H SER A 26 9.890 -6.819 7.399 1.00 0.00 H new ATOM 0 HA SER A 26 12.159 -5.727 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.858 -8.394 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.490 -7.871 4.986 1.00 0.00 H new ATOM 0 HG SER A 26 11.821 -9.284 7.044 1.00 0.00 H new ATOM 357 N GLY A 27 9.080 -5.693 5.108 1.00 0.00 N ATOM 358 CA GLY A 27 8.082 -5.298 4.128 1.00 0.00 C ATOM 359 C GLY A 27 8.539 -4.065 3.347 1.00 0.00 C ATOM 360 O GLY A 27 9.199 -3.185 3.898 1.00 0.00 O ATOM 0 H GLY A 27 8.735 -5.756 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.898 -6.122 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.138 -5.086 4.630 1.00 0.00 H new ATOM 364 N SER A 28 8.171 -4.040 2.074 1.00 0.00 N ATOM 365 CA SER A 28 8.535 -2.930 1.211 1.00 0.00 C ATOM 366 C SER A 28 7.291 -2.383 0.508 1.00 0.00 C ATOM 367 O SER A 28 6.180 -2.853 0.750 1.00 0.00 O ATOM 368 CB SER A 28 9.583 -3.354 0.180 1.00 0.00 C ATOM 369 OG SER A 28 10.883 -2.875 0.513 1.00 0.00 O ATOM 0 H SER A 28 7.624 -4.771 1.620 1.00 0.00 H new ATOM 0 HA SER A 28 8.970 -2.145 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.604 -4.442 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.298 -2.977 -0.802 1.00 0.00 H new ATOM 0 HG SER A 28 11.524 -3.168 -0.168 1.00 0.00 H new ATOM 375 N TRP A 29 7.518 -1.398 -0.348 1.00 0.00 N ATOM 376 CA TRP A 29 6.429 -0.782 -1.087 1.00 0.00 C ATOM 377 C TRP A 29 6.232 -1.572 -2.382 1.00 0.00 C ATOM 378 O TRP A 29 5.104 -1.745 -2.842 1.00 0.00 O ATOM 379 CB TRP A 29 6.701 0.704 -1.328 1.00 0.00 C ATOM 380 CG TRP A 29 7.969 0.981 -2.138 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.152 1.427 -1.692 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.134 0.811 -3.562 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.063 1.557 -2.721 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.425 1.170 -3.893 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.223 0.369 -4.537 1.00 0.00 C ATOM 386 CZ2 TRP A 29 9.921 1.124 -5.201 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.735 0.328 -5.839 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.031 0.686 -6.190 1.00 0.00 C ATOM 0 H TRP A 29 8.441 -1.011 -0.547 1.00 0.00 H new ATOM 0 HA TRP A 29 5.503 -0.818 -0.513 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.848 1.139 -1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.779 1.209 -0.365 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.365 1.656 -0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.027 1.878 -2.636 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.209 0.084 -4.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 10.936 1.411 -5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.076 -0.006 -6.627 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.350 0.627 -7.220 1.00 0.00 H new ATOM 399 N GLN A 30 7.346 -2.029 -2.935 1.00 0.00 N ATOM 400 CA GLN A 30 7.309 -2.796 -4.168 1.00 0.00 C ATOM 401 C GLN A 30 6.234 -3.881 -4.087 1.00 0.00 C ATOM 402 O GLN A 30 5.204 -3.791 -4.754 1.00 0.00 O ATOM 403 CB GLN A 30 8.679 -3.404 -4.477 1.00 0.00 C ATOM 404 CG GLN A 30 9.694 -2.316 -4.835 1.00 0.00 C ATOM 405 CD GLN A 30 10.632 -2.787 -5.948 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.647 -3.420 -5.713 1.00 0.00 O ATOM 407 NE2 GLN A 30 10.236 -2.442 -7.170 1.00 0.00 N ATOM 0 H GLN A 30 8.280 -1.883 -2.552 1.00 0.00 H new ATOM 0 HA GLN A 30 7.055 -2.121 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.034 -3.967 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.590 -4.109 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.170 -1.415 -5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.276 -2.051 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.374 -1.911 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.794 -2.708 -7.981 1.00 0.00 H new ATOM 416 N ASP A 31 6.509 -4.883 -3.264 1.00 0.00 N ATOM 417 CA ASP A 31 5.578 -5.984 -3.087 1.00 0.00 C ATOM 418 C ASP A 31 4.214 -5.431 -2.670 1.00 0.00 C ATOM 419 O ASP A 31 3.194 -5.769 -3.267 1.00 0.00 O ATOM 420 CB ASP A 31 6.056 -6.939 -1.992 1.00 0.00 C ATOM 421 CG ASP A 31 6.144 -8.408 -2.408 1.00 0.00 C ATOM 422 OD1 ASP A 31 6.229 -8.648 -3.632 1.00 0.00 O ATOM 423 OD2 ASP A 31 6.123 -9.260 -1.493 1.00 0.00 O ATOM 0 H ASP A 31 7.364 -4.955 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 31 5.511 -6.524 -4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.039 -6.614 -1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.381 -6.858 -1.140 1.00 0.00 H new ATOM 428 N LEU A 32 4.241 -4.588 -1.647 1.00 0.00 N ATOM 429 CA LEU A 32 3.019 -3.985 -1.143 1.00 0.00 C ATOM 430 C LEU A 32 2.178 -3.486 -2.320 1.00 0.00 C ATOM 431 O LEU A 32 0.975 -3.738 -2.379 1.00 0.00 O ATOM 432 CB LEU A 32 3.342 -2.899 -0.115 1.00 0.00 C ATOM 433 CG LEU A 32 2.193 -1.957 0.251 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.556 -1.093 1.460 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.774 -1.111 -0.953 1.00 0.00 C ATOM 0 H LEU A 32 5.089 -4.309 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 32 2.420 -4.725 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.693 -3.383 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.169 -2.300 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 32 1.332 -2.562 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.722 -0.433 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.767 -1.735 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.437 -0.495 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.956 -0.450 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.621 -0.514 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.446 -1.765 -1.761 1.00 0.00 H new ATOM 447 N LYS A 33 2.844 -2.788 -3.228 1.00 0.00 N ATOM 448 CA LYS A 33 2.173 -2.252 -4.400 1.00 0.00 C ATOM 449 C LYS A 33 1.467 -3.388 -5.142 1.00 0.00 C ATOM 450 O LYS A 33 0.238 -3.456 -5.157 1.00 0.00 O ATOM 451 CB LYS A 33 3.158 -1.468 -5.269 1.00 0.00 C ATOM 452 CG LYS A 33 2.425 -0.700 -6.372 1.00 0.00 C ATOM 453 CD LYS A 33 3.369 -0.368 -7.529 1.00 0.00 C ATOM 454 CE LYS A 33 3.155 1.065 -8.018 1.00 0.00 C ATOM 455 NZ LYS A 33 3.327 1.144 -9.486 1.00 0.00 N ATOM 0 H LYS A 33 3.841 -2.581 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 33 1.404 -1.537 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.721 -0.771 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.880 -2.152 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.588 -1.294 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.007 0.220 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.403 -0.496 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.202 -1.065 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.156 1.403 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.863 1.733 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.178 2.124 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.289 0.841 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.635 0.522 -9.951 1.00 0.00 H new ATOM 469 N ASP A 34 2.273 -4.252 -5.740 1.00 0.00 N ATOM 470 CA ASP A 34 1.741 -5.382 -6.483 1.00 0.00 C ATOM 471 C ASP A 34 0.537 -5.958 -5.734 1.00 0.00 C ATOM 472 O ASP A 34 -0.444 -6.368 -6.351 1.00 0.00 O ATOM 473 CB ASP A 34 2.785 -6.491 -6.622 1.00 0.00 C ATOM 474 CG ASP A 34 2.645 -7.358 -7.875 1.00 0.00 C ATOM 475 OD1 ASP A 34 1.484 -7.618 -8.259 1.00 0.00 O ATOM 476 OD2 ASP A 34 3.702 -7.740 -8.422 1.00 0.00 O ATOM 0 H ASP A 34 3.291 -4.193 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 34 1.456 -5.029 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.776 -6.038 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.728 -7.135 -5.745 1.00 0.00 H new ATOM 481 N HIS A 35 0.652 -5.969 -4.414 1.00 0.00 N ATOM 482 CA HIS A 35 -0.414 -6.487 -3.574 1.00 0.00 C ATOM 483 C HIS A 35 -1.627 -5.558 -3.652 1.00 0.00 C ATOM 484 O HIS A 35 -2.753 -6.016 -3.837 1.00 0.00 O ATOM 485 CB HIS A 35 0.078 -6.701 -2.141 1.00 0.00 C ATOM 486 CG HIS A 35 -0.949 -7.322 -1.225 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.655 -8.370 -0.370 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.269 -7.032 -1.039 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.756 -8.688 0.295 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.755 -7.858 -0.121 1.00 0.00 N ATOM 0 H HIS A 35 1.468 -5.627 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.726 -7.466 -3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.962 -7.338 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.386 -5.741 -1.727 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.254 -8.821 -0.269 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.824 -6.261 -1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.846 -9.468 1.037 1.00 0.00 H new ATOM 498 N MET A 36 -1.355 -4.269 -3.506 1.00 0.00 N ATOM 499 CA MET A 36 -2.410 -3.272 -3.558 1.00 0.00 C ATOM 500 C MET A 36 -3.004 -3.175 -4.964 1.00 0.00 C ATOM 501 O MET A 36 -4.220 -3.069 -5.122 1.00 0.00 O ATOM 502 CB MET A 36 -1.845 -1.910 -3.148 1.00 0.00 C ATOM 503 CG MET A 36 -1.535 -1.874 -1.650 1.00 0.00 C ATOM 504 SD MET A 36 -3.011 -2.229 -0.712 1.00 0.00 S ATOM 505 CE MET A 36 -4.235 -1.456 -1.756 1.00 0.00 C ATOM 0 H MET A 36 -0.420 -3.893 -3.352 1.00 0.00 H new ATOM 0 HA MET A 36 -3.201 -3.570 -2.870 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.938 -1.703 -3.716 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.561 -1.126 -3.394 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.760 -2.603 -1.413 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.146 -0.894 -1.374 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.139 -1.266 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.844 -0.513 -2.138 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.471 -2.116 -2.591 1.00 0.00 H new ATOM 515 N ARG A 37 -2.120 -3.215 -5.950 1.00 0.00 N ATOM 516 CA ARG A 37 -2.543 -3.133 -7.338 1.00 0.00 C ATOM 517 C ARG A 37 -3.827 -3.937 -7.550 1.00 0.00 C ATOM 518 O ARG A 37 -4.623 -3.621 -8.433 1.00 0.00 O ATOM 519 CB ARG A 37 -1.456 -3.663 -8.277 1.00 0.00 C ATOM 520 CG ARG A 37 -0.149 -2.890 -8.094 1.00 0.00 C ATOM 521 CD ARG A 37 0.678 -2.900 -9.381 1.00 0.00 C ATOM 522 NE ARG A 37 0.373 -1.698 -10.188 1.00 0.00 N ATOM 523 CZ ARG A 37 0.590 -1.603 -11.507 1.00 0.00 C ATOM 524 NH1 ARG A 37 1.116 -2.639 -12.175 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.283 -0.473 -12.158 1.00 0.00 N ATOM 0 H ARG A 37 -1.113 -3.303 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.726 -2.083 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.287 -4.722 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.791 -3.579 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.368 -1.862 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.429 -3.332 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.741 -2.926 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.459 -3.800 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.028 -0.891 -9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.351 -3.499 -11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.281 -2.567 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.116 0.316 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.449 -0.402 -13.162 1.00 0.00 H new ATOM 539 N GLU A 38 -3.989 -4.962 -6.726 1.00 0.00 N ATOM 540 CA GLU A 38 -5.163 -5.813 -6.812 1.00 0.00 C ATOM 541 C GLU A 38 -6.369 -5.007 -7.298 1.00 0.00 C ATOM 542 O GLU A 38 -7.160 -5.492 -8.105 1.00 0.00 O ATOM 543 CB GLU A 38 -5.456 -6.481 -5.467 1.00 0.00 C ATOM 544 CG GLU A 38 -5.043 -7.954 -5.485 1.00 0.00 C ATOM 545 CD GLU A 38 -5.669 -8.685 -6.675 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.886 -8.492 -6.883 1.00 0.00 O ATOM 547 OE2 GLU A 38 -4.915 -9.419 -7.350 1.00 0.00 O ATOM 0 H GLU A 38 -3.326 -5.222 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.963 -6.602 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.921 -5.959 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.519 -6.400 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.957 -8.030 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.352 -8.433 -4.556 1.00 0.00 H new ATOM 554 N ALA A 39 -6.472 -3.789 -6.786 1.00 0.00 N ATOM 555 CA ALA A 39 -7.568 -2.911 -7.158 1.00 0.00 C ATOM 556 C ALA A 39 -7.495 -2.619 -8.658 1.00 0.00 C ATOM 557 O ALA A 39 -8.201 -3.241 -9.450 1.00 0.00 O ATOM 558 CB ALA A 39 -7.511 -1.638 -6.312 1.00 0.00 C ATOM 0 H ALA A 39 -5.814 -3.390 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.527 -3.390 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.333 -0.979 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.596 -1.898 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.563 -1.129 -6.485 1.00 0.00 H new ATOM 564 N GLY A 40 -6.635 -1.671 -9.003 1.00 0.00 N ATOM 565 CA GLY A 40 -6.461 -1.289 -10.394 1.00 0.00 C ATOM 566 C GLY A 40 -5.029 -0.819 -10.658 1.00 0.00 C ATOM 567 O GLY A 40 -4.075 -1.554 -10.409 1.00 0.00 O ATOM 0 H GLY A 40 -6.052 -1.157 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.695 -2.136 -11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.161 -0.493 -10.647 1.00 0.00 H new ATOM 571 N ASP A 41 -4.925 0.403 -11.159 1.00 0.00 N ATOM 572 CA ASP A 41 -3.625 0.980 -11.460 1.00 0.00 C ATOM 573 C ASP A 41 -3.165 1.834 -10.277 1.00 0.00 C ATOM 574 O ASP A 41 -3.936 2.631 -9.745 1.00 0.00 O ATOM 575 CB ASP A 41 -3.695 1.881 -12.694 1.00 0.00 C ATOM 576 CG ASP A 41 -2.496 1.777 -13.639 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.467 2.413 -13.322 1.00 0.00 O ATOM 578 OD2 ASP A 41 -2.635 1.065 -14.657 1.00 0.00 O ATOM 0 H ASP A 41 -5.719 1.010 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.929 0.163 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.600 1.639 -13.251 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.791 2.916 -12.365 1.00 0.00 H new ATOM 583 N VAL A 42 -1.910 1.639 -9.900 1.00 0.00 N ATOM 584 CA VAL A 42 -1.338 2.381 -8.790 1.00 0.00 C ATOM 585 C VAL A 42 -0.410 3.470 -9.334 1.00 0.00 C ATOM 586 O VAL A 42 0.600 3.169 -9.969 1.00 0.00 O ATOM 587 CB VAL A 42 -0.634 1.423 -7.826 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.170 2.155 -6.566 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.538 0.240 -7.472 1.00 0.00 C ATOM 0 H VAL A 42 -1.273 0.977 -10.344 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.122 2.877 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 42 0.250 1.031 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.327 1.451 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.526 2.947 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.032 2.589 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.014 -0.426 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.448 0.607 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.796 -0.305 -8.380 1.00 0.00 H new ATOM 599 N CYS A 43 -0.786 4.711 -9.065 1.00 0.00 N ATOM 600 CA CYS A 43 0.000 5.846 -9.519 1.00 0.00 C ATOM 601 C CYS A 43 0.960 6.246 -8.398 1.00 0.00 C ATOM 602 O CYS A 43 2.001 6.850 -8.652 1.00 0.00 O ATOM 603 CB CYS A 43 -0.890 7.013 -9.952 1.00 0.00 C ATOM 604 SG CYS A 43 -1.967 7.526 -8.565 1.00 0.00 S ATOM 0 H CYS A 43 -1.624 4.956 -8.538 1.00 0.00 H new ATOM 0 HA CYS A 43 0.573 5.564 -10.402 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.273 7.852 -10.274 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.499 6.719 -10.807 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.717 8.519 -8.942 1.00 0.00 H new ATOM 610 N TYR A 44 0.576 5.892 -7.180 1.00 0.00 N ATOM 611 CA TYR A 44 1.390 6.207 -6.018 1.00 0.00 C ATOM 612 C TYR A 44 1.607 4.967 -5.148 1.00 0.00 C ATOM 613 O TYR A 44 0.678 4.194 -4.920 1.00 0.00 O ATOM 614 CB TYR A 44 0.600 7.244 -5.218 1.00 0.00 C ATOM 615 CG TYR A 44 1.450 8.048 -4.231 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.757 7.518 -2.994 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.909 9.302 -4.577 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.556 8.274 -2.065 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.709 10.058 -3.649 1.00 0.00 C ATOM 620 CZ TYR A 44 2.993 9.507 -2.438 1.00 0.00 C ATOM 621 OH TYR A 44 3.748 10.221 -1.561 1.00 0.00 O ATOM 0 H TYR A 44 -0.288 5.390 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 44 2.370 6.573 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.118 7.933 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.194 6.737 -4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.398 6.536 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.668 9.717 -5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.803 7.871 -1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.075 11.040 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 44 3.990 11.082 -1.963 1.00 0.00 H new ATOM 631 N ALA A 45 2.840 4.815 -4.686 1.00 0.00 N ATOM 632 CA ALA A 45 3.190 3.682 -3.847 1.00 0.00 C ATOM 633 C ALA A 45 4.352 4.072 -2.931 1.00 0.00 C ATOM 634 O ALA A 45 5.459 4.331 -3.402 1.00 0.00 O ATOM 635 CB ALA A 45 3.522 2.476 -4.729 1.00 0.00 C ATOM 0 H ALA A 45 3.609 5.458 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 45 2.350 3.400 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.785 1.626 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.655 2.222 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.363 2.720 -5.378 1.00 0.00 H new ATOM 641 N ASP A 46 4.061 4.101 -1.639 1.00 0.00 N ATOM 642 CA ASP A 46 5.068 4.454 -0.653 1.00 0.00 C ATOM 643 C ASP A 46 4.833 3.644 0.623 1.00 0.00 C ATOM 644 O ASP A 46 3.730 3.151 0.855 1.00 0.00 O ATOM 645 CB ASP A 46 4.988 5.939 -0.292 1.00 0.00 C ATOM 646 CG ASP A 46 6.231 6.505 0.397 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.286 6.536 -0.273 1.00 0.00 O ATOM 648 OD2 ASP A 46 6.099 6.894 1.577 1.00 0.00 O ATOM 0 H ASP A 46 3.142 3.886 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 46 6.048 4.238 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.804 6.509 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.128 6.093 0.360 1.00 0.00 H new ATOM 653 N VAL A 47 5.887 3.531 1.418 1.00 0.00 N ATOM 654 CA VAL A 47 5.809 2.789 2.665 1.00 0.00 C ATOM 655 C VAL A 47 6.575 3.546 3.752 1.00 0.00 C ATOM 656 O VAL A 47 7.638 4.107 3.492 1.00 0.00 O ATOM 657 CB VAL A 47 6.319 1.362 2.457 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.769 1.364 1.968 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.172 0.536 3.736 1.00 0.00 C ATOM 0 H VAL A 47 6.800 3.941 1.223 1.00 0.00 H new ATOM 0 HA VAL A 47 4.774 2.705 2.996 1.00 0.00 H new ATOM 0 HB VAL A 47 5.706 0.896 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.107 0.337 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.833 1.899 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.401 1.857 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.542 -0.474 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.748 1.000 4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.121 0.493 4.023 1.00 0.00 H new ATOM 669 N GLN A 48 6.004 3.536 4.948 1.00 0.00 N ATOM 670 CA GLN A 48 6.620 4.214 6.076 1.00 0.00 C ATOM 671 C GLN A 48 7.153 3.193 7.083 1.00 0.00 C ATOM 672 O GLN A 48 6.760 2.027 7.057 1.00 0.00 O ATOM 673 CB GLN A 48 5.635 5.177 6.741 1.00 0.00 C ATOM 674 CG GLN A 48 5.474 6.455 5.915 1.00 0.00 C ATOM 675 CD GLN A 48 5.251 7.669 6.819 1.00 0.00 C ATOM 676 OE1 GLN A 48 6.172 8.382 7.183 1.00 0.00 O ATOM 677 NE2 GLN A 48 3.980 7.862 7.160 1.00 0.00 N ATOM 0 H GLN A 48 5.122 3.069 5.160 1.00 0.00 H new ATOM 0 HA GLN A 48 7.460 4.803 5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.667 4.690 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.986 5.429 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.363 6.611 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.632 6.347 5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.258 7.226 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.727 8.646 7.762 1.00 0.00 H new ATOM 686 N LYS A 49 8.039 3.667 7.946 1.00 0.00 N ATOM 687 CA LYS A 49 8.630 2.809 8.960 1.00 0.00 C ATOM 688 C LYS A 49 7.533 2.314 9.904 1.00 0.00 C ATOM 689 O LYS A 49 6.359 2.631 9.719 1.00 0.00 O ATOM 690 CB LYS A 49 9.775 3.532 9.672 1.00 0.00 C ATOM 691 CG LYS A 49 9.259 4.746 10.448 1.00 0.00 C ATOM 692 CD LYS A 49 9.868 4.799 11.850 1.00 0.00 C ATOM 693 CE LYS A 49 9.599 6.151 12.513 1.00 0.00 C ATOM 694 NZ LYS A 49 8.965 5.962 13.837 1.00 0.00 N ATOM 0 H LYS A 49 8.362 4.634 7.964 1.00 0.00 H new ATOM 0 HA LYS A 49 9.078 1.928 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.275 2.845 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.518 3.852 8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.504 5.660 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.172 4.701 10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.450 4.000 12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.943 4.626 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.534 6.700 12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.951 6.753 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.789 6.890 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.063 5.457 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.597 5.406 14.448 1.00 0.00 H new ATOM 708 N ASP A 50 7.955 1.545 10.898 1.00 0.00 N ATOM 709 CA ASP A 50 7.023 1.003 11.872 1.00 0.00 C ATOM 710 C ASP A 50 6.225 -0.133 11.230 1.00 0.00 C ATOM 711 O ASP A 50 6.255 -1.266 11.710 1.00 0.00 O ATOM 712 CB ASP A 50 6.032 2.071 12.340 1.00 0.00 C ATOM 713 CG ASP A 50 5.511 1.889 13.767 1.00 0.00 C ATOM 714 OD1 ASP A 50 4.516 1.148 13.917 1.00 0.00 O ATOM 715 OD2 ASP A 50 6.121 2.494 14.675 1.00 0.00 O ATOM 0 H ASP A 50 8.930 1.285 11.049 1.00 0.00 H new ATOM 0 HA ASP A 50 7.598 0.645 12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.511 3.047 12.266 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.182 2.081 11.657 1.00 0.00 H new ATOM 720 N GLY A 51 5.529 0.208 10.156 1.00 0.00 N ATOM 721 CA GLY A 51 4.724 -0.770 9.443 1.00 0.00 C ATOM 722 C GLY A 51 3.513 -0.107 8.784 1.00 0.00 C ATOM 723 O GLY A 51 2.402 -0.630 8.852 1.00 0.00 O ATOM 0 H GLY A 51 5.506 1.148 9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.332 -1.262 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.389 -1.543 10.134 1.00 0.00 H new ATOM 727 N MET A 52 3.769 1.034 8.161 1.00 0.00 N ATOM 728 CA MET A 52 2.714 1.773 7.490 1.00 0.00 C ATOM 729 C MET A 52 2.889 1.722 5.971 1.00 0.00 C ATOM 730 O MET A 52 3.946 1.332 5.477 1.00 0.00 O ATOM 731 CB MET A 52 2.735 3.230 7.957 1.00 0.00 C ATOM 732 CG MET A 52 1.837 3.426 9.180 1.00 0.00 C ATOM 733 SD MET A 52 0.888 4.928 9.007 1.00 0.00 S ATOM 734 CE MET A 52 -0.224 4.755 10.393 1.00 0.00 C ATOM 0 H MET A 52 4.692 1.465 8.107 1.00 0.00 H new ATOM 0 HA MET A 52 1.758 1.314 7.742 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.756 3.523 8.200 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.401 3.880 7.148 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.167 2.573 9.290 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.445 3.472 10.084 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.553 5.741 10.721 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.090 4.165 10.093 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.291 4.253 11.212 1.00 0.00 H new ATOM 744 N GLY A 53 1.836 2.120 5.272 1.00 0.00 N ATOM 745 CA GLY A 53 1.860 2.124 3.819 1.00 0.00 C ATOM 746 C GLY A 53 0.806 3.080 3.256 1.00 0.00 C ATOM 747 O GLY A 53 -0.140 3.446 3.951 1.00 0.00 O ATOM 0 H GLY A 53 0.961 2.442 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.849 2.420 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.678 1.116 3.446 1.00 0.00 H new ATOM 751 N MET A 54 1.006 3.458 2.002 1.00 0.00 N ATOM 752 CA MET A 54 0.085 4.364 1.337 1.00 0.00 C ATOM 753 C MET A 54 0.105 4.152 -0.178 1.00 0.00 C ATOM 754 O MET A 54 1.171 4.110 -0.789 1.00 0.00 O ATOM 755 CB MET A 54 0.472 5.810 1.656 1.00 0.00 C ATOM 756 CG MET A 54 -0.693 6.763 1.382 1.00 0.00 C ATOM 757 SD MET A 54 -0.078 8.313 0.747 1.00 0.00 S ATOM 758 CE MET A 54 -0.432 8.099 -0.990 1.00 0.00 C ATOM 0 H MET A 54 1.793 3.153 1.429 1.00 0.00 H new ATOM 0 HA MET A 54 -0.922 4.159 1.700 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.772 5.888 2.701 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.333 6.101 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.380 6.314 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.257 6.934 2.299 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.061 8.960 -1.546 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.057 7.195 -1.352 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.509 8.011 -1.134 1.00 0.00 H new ATOM 768 N VAL A 55 -1.088 4.024 -0.740 1.00 0.00 N ATOM 769 CA VAL A 55 -1.222 3.818 -2.172 1.00 0.00 C ATOM 770 C VAL A 55 -2.389 4.655 -2.697 1.00 0.00 C ATOM 771 O VAL A 55 -3.411 4.791 -2.026 1.00 0.00 O ATOM 772 CB VAL A 55 -1.373 2.325 -2.474 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.078 1.749 -3.051 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.808 1.555 -1.226 1.00 0.00 C ATOM 0 H VAL A 55 -1.970 4.059 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.324 4.152 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.154 2.212 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.212 0.687 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.171 2.269 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.731 1.880 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.908 0.497 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.060 1.679 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.766 1.940 -0.877 1.00 0.00 H new ATOM 784 N GLU A 56 -2.199 5.195 -3.893 1.00 0.00 N ATOM 785 CA GLU A 56 -3.224 6.015 -4.515 1.00 0.00 C ATOM 786 C GLU A 56 -3.701 5.370 -5.818 1.00 0.00 C ATOM 787 O GLU A 56 -2.900 4.824 -6.575 1.00 0.00 O ATOM 788 CB GLU A 56 -2.714 7.436 -4.762 1.00 0.00 C ATOM 789 CG GLU A 56 -2.224 8.076 -3.462 1.00 0.00 C ATOM 790 CD GLU A 56 -2.359 9.600 -3.516 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.495 10.077 -3.308 1.00 0.00 O ATOM 792 OE2 GLU A 56 -1.322 10.252 -3.764 1.00 0.00 O ATOM 0 H GLU A 56 -1.350 5.080 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.072 6.082 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.902 7.414 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.511 8.043 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.798 7.686 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.182 7.805 -3.289 1.00 0.00 H new ATOM 799 N TYR A 57 -5.005 5.453 -6.039 1.00 0.00 N ATOM 800 CA TYR A 57 -5.599 4.885 -7.238 1.00 0.00 C ATOM 801 C TYR A 57 -6.105 5.984 -8.173 1.00 0.00 C ATOM 802 O TYR A 57 -6.160 7.152 -7.792 1.00 0.00 O ATOM 803 CB TYR A 57 -6.788 4.048 -6.762 1.00 0.00 C ATOM 804 CG TYR A 57 -6.393 2.755 -6.045 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.644 1.802 -6.704 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.785 2.543 -4.739 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.272 0.585 -6.029 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.413 1.327 -4.064 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.674 0.408 -4.743 1.00 0.00 C ATOM 810 OH TYR A 57 -5.323 -0.741 -4.105 1.00 0.00 O ATOM 0 H TYR A 57 -5.667 5.905 -5.408 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.866 4.295 -7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.398 4.652 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.411 3.799 -7.621 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.337 1.968 -7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.371 3.289 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.687 -0.170 -6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.714 1.148 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.959 -1.378 -4.755 1.00 0.00 H new ATOM 820 N LEU A 58 -6.462 5.571 -9.381 1.00 0.00 N ATOM 821 CA LEU A 58 -6.962 6.506 -10.374 1.00 0.00 C ATOM 822 C LEU A 58 -8.492 6.503 -10.346 1.00 0.00 C ATOM 823 O LEU A 58 -9.122 7.542 -10.537 1.00 0.00 O ATOM 824 CB LEU A 58 -6.372 6.192 -11.750 1.00 0.00 C ATOM 825 CG LEU A 58 -4.849 6.286 -11.863 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.173 5.116 -11.145 1.00 0.00 C ATOM 827 CD2 LEU A 58 -4.413 6.389 -13.326 1.00 0.00 C ATOM 0 H LEU A 58 -6.415 4.601 -9.694 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.640 7.520 -10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.676 5.184 -12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.813 6.874 -12.477 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.525 7.200 -11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.091 5.207 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.447 5.130 -10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.499 4.177 -11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.326 6.455 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.750 5.506 -13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.852 7.280 -13.775 1.00 0.00 H new ATOM 839 N ARG A 59 -9.046 5.323 -10.107 1.00 0.00 N ATOM 840 CA ARG A 59 -10.490 5.171 -10.052 1.00 0.00 C ATOM 841 C ARG A 59 -10.951 5.010 -8.602 1.00 0.00 C ATOM 842 O ARG A 59 -10.308 4.318 -7.815 1.00 0.00 O ATOM 843 CB ARG A 59 -10.947 3.957 -10.863 1.00 0.00 C ATOM 844 CG ARG A 59 -10.373 3.997 -12.281 1.00 0.00 C ATOM 845 CD ARG A 59 -11.071 5.064 -13.126 1.00 0.00 C ATOM 846 NE ARG A 59 -11.477 4.492 -14.429 1.00 0.00 N ATOM 847 CZ ARG A 59 -10.667 4.397 -15.492 1.00 0.00 C ATOM 848 NH1 ARG A 59 -9.403 4.835 -15.413 1.00 0.00 N ATOM 849 NH2 ARG A 59 -11.120 3.864 -16.635 1.00 0.00 N ATOM 0 H ARG A 59 -8.520 4.463 -9.949 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.935 6.069 -10.481 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.629 3.041 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.036 3.934 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.304 4.204 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.490 3.021 -12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.946 5.443 -12.598 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.402 5.910 -13.283 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.433 4.149 -14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.057 5.241 -14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.787 4.763 -16.222 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.082 3.530 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.503 3.792 -17.444 1.00 0.00 H new ATOM 863 N LYS A 60 -12.063 5.661 -8.293 1.00 0.00 N ATOM 864 CA LYS A 60 -12.619 5.600 -6.952 1.00 0.00 C ATOM 865 C LYS A 60 -12.911 4.141 -6.593 1.00 0.00 C ATOM 866 O LYS A 60 -12.413 3.634 -5.589 1.00 0.00 O ATOM 867 CB LYS A 60 -13.836 6.518 -6.834 1.00 0.00 C ATOM 868 CG LYS A 60 -14.365 6.545 -5.398 1.00 0.00 C ATOM 869 CD LYS A 60 -15.722 7.249 -5.326 1.00 0.00 C ATOM 870 CE LYS A 60 -16.384 7.026 -3.965 1.00 0.00 C ATOM 871 NZ LYS A 60 -16.084 8.151 -3.052 1.00 0.00 N ATOM 0 H LYS A 60 -12.594 6.234 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.898 5.971 -6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.566 7.527 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.621 6.176 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.460 5.526 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.651 7.057 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.591 8.317 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.372 6.874 -6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.462 6.929 -4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.028 6.092 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.541 7.984 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.055 8.225 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.445 9.036 -3.462 1.00 0.00 H new ATOM 885 N GLU A 61 -13.718 3.509 -7.432 1.00 0.00 N ATOM 886 CA GLU A 61 -14.083 2.119 -7.216 1.00 0.00 C ATOM 887 C GLU A 61 -12.846 1.296 -6.850 1.00 0.00 C ATOM 888 O GLU A 61 -12.839 0.595 -5.840 1.00 0.00 O ATOM 889 CB GLU A 61 -14.784 1.538 -8.445 1.00 0.00 C ATOM 890 CG GLU A 61 -16.288 1.817 -8.402 1.00 0.00 C ATOM 891 CD GLU A 61 -16.892 1.790 -9.807 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.389 0.989 -10.625 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.842 2.570 -10.032 1.00 0.00 O ATOM 0 H GLU A 61 -14.130 3.934 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.785 2.074 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.356 1.970 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.611 0.463 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.781 1.073 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.468 2.789 -7.944 1.00 0.00 H new ATOM 900 N ASP A 62 -11.829 1.409 -7.692 1.00 0.00 N ATOM 901 CA ASP A 62 -10.590 0.685 -7.470 1.00 0.00 C ATOM 902 C ASP A 62 -10.163 0.848 -6.010 1.00 0.00 C ATOM 903 O ASP A 62 -9.641 -0.087 -5.404 1.00 0.00 O ATOM 904 CB ASP A 62 -9.467 1.230 -8.355 1.00 0.00 C ATOM 905 CG ASP A 62 -9.617 0.931 -9.848 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.463 0.070 -10.172 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.881 1.570 -10.631 1.00 0.00 O ATOM 0 H ASP A 62 -11.838 1.991 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.764 -0.363 -7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.410 2.310 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.520 0.816 -8.010 1.00 0.00 H new ATOM 912 N MET A 63 -10.400 2.042 -5.488 1.00 0.00 N ATOM 913 CA MET A 63 -10.047 2.340 -4.110 1.00 0.00 C ATOM 914 C MET A 63 -10.831 1.455 -3.139 1.00 0.00 C ATOM 915 O MET A 63 -10.255 0.598 -2.470 1.00 0.00 O ATOM 916 CB MET A 63 -10.343 3.811 -3.813 1.00 0.00 C ATOM 917 CG MET A 63 -9.446 4.335 -2.690 1.00 0.00 C ATOM 918 SD MET A 63 -10.447 4.956 -1.349 1.00 0.00 S ATOM 919 CE MET A 63 -11.673 5.867 -2.272 1.00 0.00 C ATOM 0 H MET A 63 -10.832 2.815 -5.994 1.00 0.00 H new ATOM 0 HA MET A 63 -8.984 2.140 -3.976 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.189 4.406 -4.714 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.390 3.925 -3.531 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.796 3.537 -2.330 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.800 5.127 -3.069 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.924 6.784 -1.738 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.276 6.117 -3.256 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.569 5.257 -2.387 1.00 0.00 H new ATOM 929 N GLU A 64 -12.134 1.691 -3.093 1.00 0.00 N ATOM 930 CA GLU A 64 -13.003 0.926 -2.216 1.00 0.00 C ATOM 931 C GLU A 64 -12.802 -0.573 -2.445 1.00 0.00 C ATOM 932 O GLU A 64 -12.801 -1.355 -1.495 1.00 0.00 O ATOM 933 CB GLU A 64 -14.468 1.320 -2.416 1.00 0.00 C ATOM 934 CG GLU A 64 -14.673 2.815 -2.165 1.00 0.00 C ATOM 935 CD GLU A 64 -16.148 3.131 -1.910 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.935 2.979 -2.869 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.456 3.517 -0.762 1.00 0.00 O ATOM 0 H GLU A 64 -12.609 2.402 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.737 1.155 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.780 1.072 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.099 0.744 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.077 3.129 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.319 3.384 -3.025 1.00 0.00 H new ATOM 944 N TYR A 65 -12.637 -0.929 -3.710 1.00 0.00 N ATOM 945 CA TYR A 65 -12.435 -2.321 -4.076 1.00 0.00 C ATOM 946 C TYR A 65 -11.323 -2.953 -3.236 1.00 0.00 C ATOM 947 O TYR A 65 -11.585 -3.821 -2.406 1.00 0.00 O ATOM 948 CB TYR A 65 -12.007 -2.313 -5.545 1.00 0.00 C ATOM 949 CG TYR A 65 -11.660 -3.696 -6.099 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.405 -4.230 -5.885 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.601 -4.410 -6.812 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.078 -5.532 -6.406 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.274 -5.712 -7.334 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.028 -6.209 -7.105 1.00 0.00 C ATOM 955 OH TYR A 65 -10.720 -7.438 -7.598 1.00 0.00 O ATOM 0 H TYR A 65 -12.639 -0.278 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.345 -2.898 -3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.810 -1.884 -6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.141 -1.660 -5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.668 -3.671 -5.327 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.583 -3.993 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.100 -5.961 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.001 -6.281 -7.894 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.495 -7.803 -8.074 1.00 0.00 H new ATOM 965 N ALA A 66 -10.105 -2.492 -3.482 1.00 0.00 N ATOM 966 CA ALA A 66 -8.952 -3.001 -2.759 1.00 0.00 C ATOM 967 C ALA A 66 -9.185 -2.836 -1.256 1.00 0.00 C ATOM 968 O ALA A 66 -8.809 -3.702 -0.467 1.00 0.00 O ATOM 969 CB ALA A 66 -7.691 -2.279 -3.236 1.00 0.00 C ATOM 0 H ALA A 66 -9.892 -1.772 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.813 -4.064 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.826 -2.661 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.555 -2.451 -4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.792 -1.210 -3.051 1.00 0.00 H new ATOM 975 N LEU A 67 -9.803 -1.718 -0.904 1.00 0.00 N ATOM 976 CA LEU A 67 -10.090 -1.429 0.491 1.00 0.00 C ATOM 977 C LEU A 67 -10.790 -2.633 1.124 1.00 0.00 C ATOM 978 O LEU A 67 -10.304 -3.192 2.106 1.00 0.00 O ATOM 979 CB LEU A 67 -10.879 -0.124 0.616 1.00 0.00 C ATOM 980 CG LEU A 67 -10.064 1.166 0.509 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.967 2.363 0.207 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.221 1.387 1.767 1.00 0.00 C ATOM 0 H LEU A 67 -10.113 -1.002 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.165 -1.270 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.646 -0.111 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.395 -0.125 1.576 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.374 1.065 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.362 3.267 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.485 2.199 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.698 2.478 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.651 2.311 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.875 1.458 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.535 0.550 1.897 1.00 0.00 H new ATOM 994 N ARG A 68 -11.919 -2.999 0.535 1.00 0.00 N ATOM 995 CA ARG A 68 -12.690 -4.127 1.029 1.00 0.00 C ATOM 996 C ARG A 68 -11.993 -5.442 0.675 1.00 0.00 C ATOM 997 O ARG A 68 -11.531 -6.162 1.559 1.00 0.00 O ATOM 998 CB ARG A 68 -14.101 -4.130 0.438 1.00 0.00 C ATOM 999 CG ARG A 68 -14.768 -2.763 0.602 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.005 -2.443 2.079 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.392 -1.966 2.277 1.00 0.00 N ATOM 1002 CZ ARG A 68 -16.821 -1.339 3.381 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -15.973 -1.109 4.393 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.097 -0.942 3.473 1.00 0.00 N ATOM 0 H ARG A 68 -12.318 -2.534 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.762 -4.031 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.056 -4.392 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.703 -4.894 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.140 -1.992 0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.717 -2.751 0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.827 -3.331 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.299 -1.683 2.413 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.064 -2.124 1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.001 -1.411 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.299 -0.632 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.742 -1.117 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.423 -0.465 4.313 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.938 -5.716 -0.621 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.305 -6.931 -1.103 1.00 0.00 C ATOM 1020 C LYS A 69 -10.106 -7.265 -0.212 1.00 0.00 C ATOM 1021 O LYS A 69 -10.062 -8.330 0.403 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.951 -6.800 -2.585 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.091 -7.310 -3.469 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.033 -6.171 -3.861 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.484 -6.655 -3.920 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.277 -6.051 -2.826 1.00 0.00 N ATOM 0 H LYS A 69 -12.322 -5.117 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.996 -7.771 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.742 -5.757 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.042 -7.363 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.681 -7.772 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.649 -8.082 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.946 -5.358 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.740 -5.770 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.922 -6.392 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.514 -7.742 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.259 -6.390 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.868 -6.323 -1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.263 -5.015 -2.918 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.164 -6.335 -0.170 1.00 0.00 N ATOM 1041 CA LEU A 70 -7.968 -6.517 0.636 1.00 0.00 C ATOM 1042 C LEU A 70 -8.349 -6.500 2.118 1.00 0.00 C ATOM 1043 O LEU A 70 -8.155 -7.488 2.824 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.907 -5.480 0.262 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.668 -5.274 -1.235 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.753 -4.074 -1.484 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.130 -6.551 -1.884 1.00 0.00 C ATOM 0 H LEU A 70 -9.204 -5.453 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.517 -7.488 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.193 -4.523 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.964 -5.772 0.723 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.625 -5.051 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.599 -3.950 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.214 -3.174 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.792 -4.242 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.969 -6.378 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.186 -6.828 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.851 -7.358 -1.753 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.886 -5.366 2.545 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.296 -5.208 3.930 1.00 0.00 C ATOM 1061 C ASP A 71 -8.636 -6.295 4.780 1.00 0.00 C ATOM 1062 O ASP A 71 -9.183 -7.385 4.934 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.813 -5.350 4.075 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.343 -5.192 5.501 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.627 -4.560 6.307 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.454 -5.706 5.753 1.00 0.00 O ATOM 0 H ASP A 71 -9.046 -4.549 1.956 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.994 -4.214 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.295 -4.607 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.109 -6.330 3.700 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.469 -5.959 5.311 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.728 -6.893 6.142 1.00 0.00 C ATOM 1073 C ASP A 72 -6.366 -8.128 5.315 1.00 0.00 C ATOM 1074 O ASP A 72 -7.227 -8.957 5.021 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.566 -7.352 7.336 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.930 -8.452 8.188 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.667 -9.532 7.617 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.721 -8.188 9.392 1.00 0.00 O ATOM 0 H ASP A 72 -7.019 -5.053 5.182 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.833 -6.387 6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.766 -6.490 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.529 -7.708 6.969 1.00 0.00 H new ATOM 1083 N THR A 73 -5.092 -8.213 4.963 1.00 0.00 N ATOM 1084 CA THR A 73 -4.605 -9.334 4.176 1.00 0.00 C ATOM 1085 C THR A 73 -3.247 -9.804 4.701 1.00 0.00 C ATOM 1086 O THR A 73 -2.649 -9.154 5.556 1.00 0.00 O ATOM 1087 CB THR A 73 -4.574 -8.902 2.709 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.086 -7.564 2.751 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.974 -8.770 2.107 1.00 0.00 C ATOM 0 H THR A 73 -4.381 -7.524 5.208 1.00 0.00 H new ATOM 0 HA THR A 73 -5.267 -10.196 4.262 1.00 0.00 H new ATOM 0 HB THR A 73 -3.998 -9.624 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.581 -7.374 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.894 -8.461 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.486 -9.731 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.541 -8.024 2.664 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.801 -10.931 4.166 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.525 -11.497 4.569 1.00 0.00 C ATOM 1099 C LYS A 74 -0.440 -11.048 3.588 1.00 0.00 C ATOM 1100 O LYS A 74 -0.299 -11.621 2.509 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.633 -13.016 4.714 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.348 -13.604 5.300 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.543 -15.072 5.685 1.00 0.00 C ATOM 1104 CE LYS A 74 0.563 -15.946 5.091 1.00 0.00 C ATOM 1105 NZ LYS A 74 1.121 -16.849 6.123 1.00 0.00 N ATOM 0 H LYS A 74 -3.301 -11.467 3.457 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.239 -11.127 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.477 -13.264 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.831 -13.465 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.460 -13.519 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.049 -13.031 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.545 -15.170 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.514 -15.418 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.166 -16.532 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.354 -15.316 4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.870 -17.435 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.518 -16.284 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.367 -17.463 6.491 1.00 0.00 H new ATOM 1119 N PHE A 75 0.299 -10.028 3.998 1.00 0.00 N ATOM 1120 CA PHE A 75 1.367 -9.496 3.169 1.00 0.00 C ATOM 1121 C PHE A 75 2.681 -10.236 3.426 1.00 0.00 C ATOM 1122 O PHE A 75 3.030 -10.509 4.573 1.00 0.00 O ATOM 1123 CB PHE A 75 1.540 -8.025 3.551 1.00 0.00 C ATOM 1124 CG PHE A 75 2.677 -7.318 2.810 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.619 -7.170 1.460 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.746 -6.839 3.502 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.675 -6.514 0.772 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.801 -6.184 2.814 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.743 -6.035 1.463 1.00 0.00 C ATOM 0 H PHE A 75 0.179 -9.556 4.894 1.00 0.00 H new ATOM 0 HA PHE A 75 1.114 -9.615 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.607 -7.497 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.722 -7.958 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.771 -7.551 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.792 -6.957 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.629 -6.396 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.650 -5.804 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.545 -5.536 0.940 1.00 0.00 H new ATOM 1139 N ARG A 76 3.375 -10.538 2.338 1.00 0.00 N ATOM 1140 CA ARG A 76 4.644 -11.241 2.431 1.00 0.00 C ATOM 1141 C ARG A 76 5.785 -10.341 1.954 1.00 0.00 C ATOM 1142 O ARG A 76 5.793 -9.898 0.807 1.00 0.00 O ATOM 1143 CB ARG A 76 4.627 -12.521 1.593 1.00 0.00 C ATOM 1144 CG ARG A 76 5.847 -13.393 1.899 1.00 0.00 C ATOM 1145 CD ARG A 76 5.820 -14.681 1.075 1.00 0.00 C ATOM 1146 NE ARG A 76 6.212 -14.396 -0.324 1.00 0.00 N ATOM 1147 CZ ARG A 76 6.309 -15.328 -1.281 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.043 -16.611 -0.998 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.672 -14.978 -2.523 1.00 0.00 N ATOM 0 H ARG A 76 3.083 -10.309 1.388 1.00 0.00 H new ATOM 0 HA ARG A 76 4.800 -11.507 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.715 -13.081 1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.614 -12.266 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.759 -12.837 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.867 -13.637 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.499 -15.415 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.821 -15.117 1.100 1.00 0.00 H new ATOM 0 HE ARG A 76 6.421 -13.430 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.766 -16.878 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.117 -17.320 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.874 -14.002 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.746 -15.688 -3.252 1.00 0.00 H new ATOM 1163 N SER A 77 6.722 -10.098 2.859 1.00 0.00 N ATOM 1164 CA SER A 77 7.866 -9.259 2.545 1.00 0.00 C ATOM 1165 C SER A 77 8.775 -9.969 1.540 1.00 0.00 C ATOM 1166 O SER A 77 8.556 -11.135 1.215 1.00 0.00 O ATOM 1167 CB SER A 77 8.650 -8.901 3.809 1.00 0.00 C ATOM 1168 OG SER A 77 9.169 -10.056 4.461 1.00 0.00 O ATOM 0 H SER A 77 6.712 -10.468 3.810 1.00 0.00 H new ATOM 0 HA SER A 77 7.500 -8.333 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.471 -8.232 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.001 -8.358 4.496 1.00 0.00 H new ATOM 0 HG SER A 77 8.772 -10.860 4.067 1.00 0.00 H new ATOM 1174 N HIS A 78 9.776 -9.236 1.075 1.00 0.00 N ATOM 1175 CA HIS A 78 10.720 -9.781 0.114 1.00 0.00 C ATOM 1176 C HIS A 78 11.659 -10.762 0.817 1.00 0.00 C ATOM 1177 O HIS A 78 12.406 -11.489 0.163 1.00 0.00 O ATOM 1178 CB HIS A 78 11.467 -8.659 -0.610 1.00 0.00 C ATOM 1179 CG HIS A 78 12.180 -7.701 0.314 1.00 0.00 C ATOM 1180 ND1 HIS A 78 12.291 -6.347 0.050 1.00 0.00 N ATOM 1181 CD2 HIS A 78 12.817 -7.915 1.501 1.00 0.00 C ATOM 1182 CE1 HIS A 78 12.967 -5.781 1.039 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.292 -6.755 1.938 1.00 0.00 N ATOM 0 H HIS A 78 9.954 -8.269 1.346 1.00 0.00 H new ATOM 0 HA HIS A 78 10.182 -10.335 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 78 12.195 -9.101 -1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.758 -8.099 -1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.918 -8.867 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.217 -4.733 1.120 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.814 -6.615 2.803 1.00 0.00 H new ATOM 1191 N GLU A 79 11.592 -10.752 2.140 1.00 0.00 N ATOM 1192 CA GLU A 79 12.427 -11.632 2.939 1.00 0.00 C ATOM 1193 C GLU A 79 11.704 -12.954 3.204 1.00 0.00 C ATOM 1194 O GLU A 79 12.300 -13.900 3.717 1.00 0.00 O ATOM 1195 CB GLU A 79 12.838 -10.958 4.249 1.00 0.00 C ATOM 1196 CG GLU A 79 14.182 -10.244 4.101 1.00 0.00 C ATOM 1197 CD GLU A 79 15.339 -11.162 4.502 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.212 -12.379 4.245 1.00 0.00 O ATOM 1199 OE2 GLU A 79 16.323 -10.627 5.057 1.00 0.00 O ATOM 0 H GLU A 79 10.972 -10.148 2.679 1.00 0.00 H new ATOM 0 HA GLU A 79 13.337 -11.845 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.073 -10.242 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.904 -11.704 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.313 -9.918 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.192 -9.348 4.722 1.00 0.00 H new ATOM 1206 N GLY A 80 10.429 -12.977 2.844 1.00 0.00 N ATOM 1207 CA GLY A 80 9.618 -14.167 3.037 1.00 0.00 C ATOM 1208 C GLY A 80 8.675 -14.000 4.230 1.00 0.00 C ATOM 1209 O GLY A 80 7.639 -14.659 4.303 1.00 0.00 O ATOM 0 H GLY A 80 9.938 -12.190 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.038 -14.366 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.264 -15.030 3.198 1.00 0.00 H new ATOM 1213 N GLU A 81 9.068 -13.115 5.134 1.00 0.00 N ATOM 1214 CA GLU A 81 8.270 -12.853 6.320 1.00 0.00 C ATOM 1215 C GLU A 81 6.828 -12.527 5.928 1.00 0.00 C ATOM 1216 O GLU A 81 6.566 -12.110 4.801 1.00 0.00 O ATOM 1217 CB GLU A 81 8.881 -11.724 7.153 1.00 0.00 C ATOM 1218 CG GLU A 81 9.913 -12.269 8.142 1.00 0.00 C ATOM 1219 CD GLU A 81 10.678 -11.130 8.819 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.380 -10.402 8.084 1.00 0.00 O ATOM 1221 OE2 GLU A 81 10.544 -11.013 10.056 1.00 0.00 O ATOM 0 H GLU A 81 9.928 -12.570 5.069 1.00 0.00 H new ATOM 0 HA GLU A 81 8.264 -13.752 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.353 -10.995 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.094 -11.200 7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.413 -12.876 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.613 -12.922 7.620 1.00 0.00 H new ATOM 1228 N THR A 82 5.929 -12.730 6.881 1.00 0.00 N ATOM 1229 CA THR A 82 4.520 -12.463 6.649 1.00 0.00 C ATOM 1230 C THR A 82 3.964 -11.549 7.743 1.00 0.00 C ATOM 1231 O THR A 82 4.409 -11.603 8.888 1.00 0.00 O ATOM 1232 CB THR A 82 3.794 -13.806 6.552 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.417 -14.610 7.550 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.091 -14.539 5.243 1.00 0.00 C ATOM 0 H THR A 82 6.150 -13.076 7.815 1.00 0.00 H new ATOM 0 HA THR A 82 4.368 -11.927 5.712 1.00 0.00 H new ATOM 0 HB THR A 82 2.720 -13.645 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.005 -15.499 7.558 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.551 -15.486 5.226 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.772 -13.924 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.161 -14.730 5.168 1.00 0.00 H new ATOM 1242 N SER A 83 2.998 -10.730 7.351 1.00 0.00 N ATOM 1243 CA SER A 83 2.376 -9.806 8.284 1.00 0.00 C ATOM 1244 C SER A 83 0.959 -9.466 7.818 1.00 0.00 C ATOM 1245 O SER A 83 0.601 -9.723 6.669 1.00 0.00 O ATOM 1246 CB SER A 83 3.207 -8.530 8.431 1.00 0.00 C ATOM 1247 OG SER A 83 4.428 -8.765 9.128 1.00 0.00 O ATOM 0 H SER A 83 2.631 -10.688 6.400 1.00 0.00 H new ATOM 0 HA SER A 83 2.324 -10.288 9.260 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.426 -8.124 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.625 -7.778 8.963 1.00 0.00 H new ATOM 0 HG SER A 83 4.536 -9.727 9.284 1.00 0.00 H new ATOM 1253 N TYR A 84 0.191 -8.893 8.732 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.179 -8.515 8.429 1.00 0.00 C ATOM 1255 C TYR A 84 -1.306 -6.999 8.265 1.00 0.00 C ATOM 1256 O TYR A 84 -1.064 -6.246 9.207 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.014 -8.957 9.632 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.111 -9.968 9.290 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -2.890 -10.923 8.318 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.320 -9.925 9.954 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.922 -11.874 7.997 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.352 -10.877 9.632 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.102 -11.804 8.669 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.077 -12.703 8.365 1.00 0.00 O ATOM 0 H TYR A 84 0.491 -8.681 9.683 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.508 -8.978 7.499 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.352 -9.393 10.380 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.472 -8.078 10.086 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.944 -10.957 7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.492 -9.178 10.715 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.762 -12.627 7.239 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.303 -10.855 10.144 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.864 -12.534 8.924 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.684 -6.596 7.061 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.846 -5.184 6.761 1.00 0.00 C ATOM 1276 C ILE A 85 -3.318 -4.896 6.460 1.00 0.00 C ATOM 1277 O ILE A 85 -3.953 -5.622 5.697 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.896 -4.762 5.639 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.238 -5.479 4.331 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.563 -4.977 6.046 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.712 -4.700 3.124 1.00 0.00 C ATOM 0 H ILE A 85 -1.883 -7.223 6.281 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.572 -4.578 7.625 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.028 -3.694 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.807 -6.480 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.318 -5.597 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.217 -4.669 5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.785 -4.383 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.728 -6.032 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.969 -5.232 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.163 -3.708 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.371 -4.605 3.197 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.819 -3.835 7.076 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.205 -3.443 6.884 1.00 0.00 C ATOM 1295 C ARG A 86 -5.307 -2.370 5.797 1.00 0.00 C ATOM 1296 O ARG A 86 -4.331 -1.679 5.509 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.809 -2.903 8.182 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.731 -3.938 8.829 1.00 0.00 C ATOM 1299 CD ARG A 86 -5.921 -5.037 9.521 1.00 0.00 C ATOM 1300 NE ARG A 86 -5.911 -4.812 10.984 1.00 0.00 N ATOM 1301 CZ ARG A 86 -5.327 -5.635 11.866 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -4.703 -6.741 11.439 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -5.368 -5.351 13.175 1.00 0.00 N ATOM 0 H ARG A 86 -3.290 -3.235 7.708 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.761 -4.329 6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.011 -2.637 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.369 -1.991 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.381 -3.449 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.377 -4.380 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.352 -6.013 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.900 -5.044 9.139 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.377 -3.979 11.343 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.672 -6.957 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.259 -7.367 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.843 -4.509 13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.924 -5.977 13.847 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.497 -2.266 5.224 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.739 -1.290 4.175 1.00 0.00 C ATOM 1319 C VAL A 87 -7.966 -0.451 4.539 1.00 0.00 C ATOM 1320 O VAL A 87 -9.061 -0.985 4.704 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.877 -1.995 2.825 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.570 -1.038 1.672 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -5.982 -3.235 2.761 1.00 0.00 C ATOM 0 H VAL A 87 -7.304 -2.841 5.466 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.893 -0.609 4.085 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.912 -2.322 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.676 -1.565 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.266 -0.199 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.550 -0.667 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.099 -3.718 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.941 -2.940 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.268 -3.931 3.550 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.741 0.850 4.653 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.814 1.768 4.994 1.00 0.00 C ATOM 1335 C TYR A 88 -8.531 3.170 4.451 1.00 0.00 C ATOM 1336 O TYR A 88 -7.377 3.530 4.224 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.851 1.825 6.523 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.563 2.354 7.157 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.476 1.518 7.310 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.489 3.667 7.576 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.264 2.016 7.907 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -6.277 4.164 8.173 1.00 0.00 C ATOM 1343 CZ TYR A 88 -5.224 3.314 8.309 1.00 0.00 C ATOM 1344 OH TYR A 88 -4.079 3.785 8.873 1.00 0.00 O ATOM 0 H TYR A 88 -6.831 1.290 4.515 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.757 1.431 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.683 2.458 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.050 0.825 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.534 0.491 6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.340 4.321 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.406 1.373 8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.205 5.189 8.506 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.195 4.729 9.110 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.632 3.943 4.252 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.513 5.297 3.739 1.00 0.00 C ATOM 1356 C PRO A 89 -8.996 6.249 4.820 1.00 0.00 C ATOM 1357 O PRO A 89 -8.898 5.874 5.987 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.906 5.656 3.248 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.851 4.675 3.923 1.00 0.00 C ATOM 1360 CD PRO A 89 -11.014 3.550 4.510 1.00 0.00 C ATOM 0 HA PRO A 89 -8.787 5.378 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.159 6.684 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.970 5.577 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.423 5.173 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.570 4.281 3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.200 3.434 5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.249 2.595 4.040 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.680 7.463 4.393 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.176 8.471 5.309 1.00 0.00 C ATOM 1370 C GLU A 90 -9.322 9.353 5.810 1.00 0.00 C ATOM 1371 O GLU A 90 -10.470 9.175 5.406 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.083 9.315 4.650 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.749 9.153 5.381 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.449 10.375 6.251 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -5.578 11.498 5.717 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -5.097 10.159 7.431 1.00 0.00 O ATOM 0 H GLU A 90 -8.764 7.771 3.424 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.731 7.965 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.969 9.018 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.378 10.364 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.777 8.258 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.947 9.013 4.656 1.00 0.00 H new ATOM 1383 N ARG A 91 -8.970 10.286 6.683 1.00 0.00 N ATOM 1384 CA ARG A 91 -9.955 11.196 7.244 1.00 0.00 C ATOM 1385 C ARG A 91 -9.449 12.638 7.168 1.00 0.00 C ATOM 1386 O ARG A 91 -8.379 12.952 7.688 1.00 0.00 O ATOM 1387 CB ARG A 91 -10.261 10.846 8.701 1.00 0.00 C ATOM 1388 CG ARG A 91 -11.273 11.826 9.299 1.00 0.00 C ATOM 1389 CD ARG A 91 -12.680 11.225 9.307 1.00 0.00 C ATOM 1390 NE ARG A 91 -13.692 12.305 9.306 1.00 0.00 N ATOM 1391 CZ ARG A 91 -13.981 13.062 8.239 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -13.338 12.861 7.081 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -14.914 14.019 8.330 1.00 0.00 N ATOM 0 H ARG A 91 -8.017 10.431 7.016 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.869 11.097 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.654 9.831 8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.341 10.866 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.978 12.083 10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.272 12.751 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.817 10.587 8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.810 10.594 10.187 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.201 12.484 10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.628 12.132 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.558 13.437 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.404 14.171 9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.134 14.595 7.518 1.00 0.00 H new ATOM 1407 N SER A 92 -10.241 13.476 6.516 1.00 0.00 N ATOM 1408 CA SER A 92 -9.886 14.877 6.366 1.00 0.00 C ATOM 1409 C SER A 92 -10.991 15.761 6.946 1.00 0.00 C ATOM 1410 O SER A 92 -12.141 15.689 6.514 1.00 0.00 O ATOM 1411 CB SER A 92 -9.642 15.228 4.897 1.00 0.00 C ATOM 1412 OG SER A 92 -10.851 15.246 4.144 1.00 0.00 O ATOM 0 H SER A 92 -11.127 13.212 6.086 1.00 0.00 H new ATOM 0 HA SER A 92 -8.961 15.057 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.160 16.204 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.954 14.504 4.461 1.00 0.00 H new ATOM 0 HG SER A 92 -11.616 15.303 4.754 1.00 0.00 H new ATOM 1418 N SER A 93 -10.605 16.575 7.918 1.00 0.00 N ATOM 1419 CA SER A 93 -11.548 17.473 8.562 1.00 0.00 C ATOM 1420 C SER A 93 -10.835 18.752 9.005 1.00 0.00 C ATOM 1421 O SER A 93 -9.749 18.693 9.581 1.00 0.00 O ATOM 1422 CB SER A 93 -12.221 16.798 9.759 1.00 0.00 C ATOM 1423 OG SER A 93 -13.588 16.492 9.500 1.00 0.00 O ATOM 0 H SER A 93 -9.651 16.631 8.275 1.00 0.00 H new ATOM 0 HA SER A 93 -12.324 17.729 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.685 15.882 10.007 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.154 17.452 10.629 1.00 0.00 H new ATOM 0 HG SER A 93 -13.982 16.061 10.287 1.00 0.00 H new ATOM 1429 N GLY A 94 -11.474 19.877 8.721 1.00 0.00 N ATOM 1430 CA GLY A 94 -10.914 21.168 9.083 1.00 0.00 C ATOM 1431 C GLY A 94 -11.559 22.293 8.271 1.00 0.00 C ATOM 1432 O GLY A 94 -11.680 22.191 7.051 1.00 0.00 O ATOM 0 H GLY A 94 -12.375 19.921 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.067 21.349 10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.838 21.162 8.912 1.00 0.00 H new ATOM 1436 N PRO A 95 -11.966 23.367 8.999 1.00 0.00 N ATOM 1437 CA PRO A 95 -12.595 24.509 8.359 1.00 0.00 C ATOM 1438 C PRO A 95 -11.562 25.360 7.617 1.00 0.00 C ATOM 1439 O PRO A 95 -11.805 25.800 6.495 1.00 0.00 O ATOM 1440 CB PRO A 95 -13.285 25.261 9.486 1.00 0.00 C ATOM 1441 CG PRO A 95 -12.634 24.775 10.770 1.00 0.00 C ATOM 1442 CD PRO A 95 -11.839 23.521 10.445 1.00 0.00 C ATOM 0 HA PRO A 95 -13.314 24.218 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.163 26.338 9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.356 25.060 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.981 25.545 11.182 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.391 24.562 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.795 23.625 10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.235 22.653 10.972 1.00 0.00 H new ATOM 1450 N SER A 96 -10.431 25.567 8.276 1.00 0.00 N ATOM 1451 CA SER A 96 -9.360 26.357 7.693 1.00 0.00 C ATOM 1452 C SER A 96 -8.116 26.289 8.582 1.00 0.00 C ATOM 1453 O SER A 96 -7.049 25.877 8.131 1.00 0.00 O ATOM 1454 CB SER A 96 -9.793 27.811 7.496 1.00 0.00 C ATOM 1455 OG SER A 96 -9.633 28.238 6.146 1.00 0.00 O ATOM 0 H SER A 96 -10.233 25.201 9.208 1.00 0.00 H new ATOM 0 HA SER A 96 -9.122 25.941 6.714 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.837 27.921 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.208 28.456 8.152 1.00 0.00 H new ATOM 0 HG SER A 96 -9.922 29.171 6.061 1.00 0.00 H new ATOM 1461 N SER A 97 -8.296 26.699 9.829 1.00 0.00 N ATOM 1462 CA SER A 97 -7.202 26.690 10.785 1.00 0.00 C ATOM 1463 C SER A 97 -7.121 25.327 11.474 1.00 0.00 C ATOM 1464 O SER A 97 -8.145 24.731 11.803 1.00 0.00 O ATOM 1465 CB SER A 97 -7.370 27.801 11.824 1.00 0.00 C ATOM 1466 OG SER A 97 -6.116 28.268 12.313 1.00 0.00 O ATOM 0 H SER A 97 -9.183 27.040 10.199 1.00 0.00 H new ATOM 0 HA SER A 97 -6.273 26.872 10.244 1.00 0.00 H new ATOM 0 HB2 SER A 97 -7.919 28.632 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.969 27.432 12.656 1.00 0.00 H new ATOM 0 HG SER A 97 -6.266 28.977 12.972 1.00 0.00 H new ATOM 1472 N GLY A 98 -5.892 24.872 11.671 1.00 0.00 N ATOM 1473 CA GLY A 98 -5.663 23.589 12.314 1.00 0.00 C ATOM 1474 C GLY A 98 -4.698 23.731 13.493 1.00 0.00 C ATOM 1475 O GLY A 98 -5.113 23.681 14.650 1.00 0.00 O ATOM 0 H GLY A 98 -5.045 25.369 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.611 23.179 12.663 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.257 22.883 11.590 1.00 0.00 H new TER 1479 GLY A 98