USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1072 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 103 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.6) USER MOD Set 1.2: A 111 GLN : amide:sc= 0 X(o=-0.24,f=-0.44!) USER MOD Set 2.1: A 98 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Set 2.2: A 101 GLN : amide:sc= 0 X(o=-0.11,f=-0.47) USER MOD Set 3.1: A 39 SER OG : rot 177:sc= -0.371 USER MOD Set 3.2: A 68 TYR OH : rot -48:sc= 0.983 USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.0799 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.179 F(o=-1.1,f=0.18) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.0104 (180deg=-0.472) USER MOD Single : A 38 THR OG1 : rot 110:sc= -2.39 USER MOD Single : A 48 MET CE :methyl 147:sc= -0.252 (180deg=-1.53!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.168 F(o=-1.3,f=-0.17) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 142:sc= -4.66! (180deg=-7.06!) USER MOD Single : A 58 ASN : amide:sc= -0.744 K(o=-0.74,f=-4.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -2.5 K(o=-2.5,f=-7.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -131:sc= -2.67! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.0654 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 108 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -153:sc= -0.183 (180deg=-1.49!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 127:sc= -0.0339 (180deg=-0.517) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -5.16! C(o=-5.2!,f=-8.1!) USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.085 USER MOD Single : A 143 SER OG : rot 140:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.117 13.429 -4.280 1.00 0.00 N ATOM 142 CA THR A 9 105.354 14.375 -5.413 1.00 0.00 C ATOM 143 C THR A 9 106.805 14.255 -5.891 1.00 0.00 C ATOM 144 O THR A 9 107.635 13.671 -5.223 1.00 0.00 O ATOM 145 CB THR A 9 105.110 15.770 -4.825 1.00 0.00 C ATOM 146 OG1 THR A 9 106.108 16.050 -3.850 1.00 0.00 O ATOM 147 CG2 THR A 9 103.728 15.828 -4.171 1.00 0.00 C ATOM 0 HA THR A 9 104.707 14.171 -6.266 1.00 0.00 H new ATOM 0 HB THR A 9 105.157 16.510 -5.624 1.00 0.00 H new ATOM 0 HG1 THR A 9 106.350 15.223 -3.383 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.563 16.822 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 9 102.963 15.615 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.672 15.088 -3.373 1.00 0.00 H new ATOM 155 N ALA A 10 107.122 14.788 -7.042 1.00 0.00 N ATOM 156 CA ALA A 10 108.527 14.686 -7.543 1.00 0.00 C ATOM 157 C ALA A 10 109.490 15.275 -6.512 1.00 0.00 C ATOM 158 O ALA A 10 110.586 14.790 -6.320 1.00 0.00 O ATOM 159 CB ALA A 10 108.558 15.511 -8.829 1.00 0.00 C ATOM 0 H ALA A 10 106.475 15.286 -7.654 1.00 0.00 H new ATOM 0 HA ALA A 10 108.828 13.653 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.561 15.483 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.848 15.096 -9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.288 16.543 -8.606 1.00 0.00 H new ATOM 165 N GLU A 11 109.079 16.307 -5.838 1.00 0.00 N ATOM 166 CA GLU A 11 109.956 16.919 -4.804 1.00 0.00 C ATOM 167 C GLU A 11 110.307 15.883 -3.737 1.00 0.00 C ATOM 168 O GLU A 11 111.450 15.740 -3.348 1.00 0.00 O ATOM 169 CB GLU A 11 109.106 18.038 -4.203 1.00 0.00 C ATOM 170 CG GLU A 11 108.828 19.085 -5.284 1.00 0.00 C ATOM 171 CD GLU A 11 110.142 19.761 -5.698 1.00 0.00 C ATOM 172 OE1 GLU A 11 111.145 19.538 -5.036 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 110.121 20.498 -6.669 1.00 0.00 O ATOM 0 H GLU A 11 108.171 16.756 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 11 110.898 17.286 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.169 17.635 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.625 18.495 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 11 108.362 18.614 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.126 19.830 -4.910 1.00 0.00 H new ATOM 180 N GLU A 12 109.336 15.155 -3.266 1.00 0.00 N ATOM 181 CA GLU A 12 109.614 14.126 -2.229 1.00 0.00 C ATOM 182 C GLU A 12 110.425 12.962 -2.811 1.00 0.00 C ATOM 183 O GLU A 12 111.395 12.516 -2.227 1.00 0.00 O ATOM 184 CB GLU A 12 108.234 13.644 -1.787 1.00 0.00 C ATOM 185 CG GLU A 12 107.522 14.762 -1.018 1.00 0.00 C ATOM 186 CD GLU A 12 106.094 14.327 -0.665 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.697 13.243 -1.069 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.418 15.086 0.010 1.00 0.00 O1- ATOM 0 H GLU A 12 108.360 15.228 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 12 110.203 14.527 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.644 13.353 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.331 12.760 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.075 14.998 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.496 15.670 -1.620 1.00 0.00 H new ATOM 195 N GLU A 13 110.040 12.467 -3.959 1.00 0.00 N ATOM 196 CA GLU A 13 110.793 11.334 -4.575 1.00 0.00 C ATOM 197 C GLU A 13 112.215 11.765 -4.945 1.00 0.00 C ATOM 198 O GLU A 13 113.157 11.012 -4.795 1.00 0.00 O ATOM 199 CB GLU A 13 110.020 10.976 -5.845 1.00 0.00 C ATOM 200 CG GLU A 13 108.655 10.381 -5.484 1.00 0.00 C ATOM 201 CD GLU A 13 107.864 10.084 -6.769 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.422 10.245 -7.847 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 106.716 9.693 -6.655 1.00 0.00 O ATOM 0 H GLU A 13 109.238 12.798 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 13 110.878 10.493 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.886 11.865 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.591 10.261 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.787 9.466 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.099 11.076 -4.855 1.00 0.00 H new ATOM 210 N LYS A 14 112.378 12.959 -5.446 1.00 0.00 N ATOM 211 CA LYS A 14 113.743 13.417 -5.841 1.00 0.00 C ATOM 212 C LYS A 14 114.673 13.468 -4.628 1.00 0.00 C ATOM 213 O LYS A 14 115.807 13.036 -4.686 1.00 0.00 O ATOM 214 CB LYS A 14 113.553 14.821 -6.417 1.00 0.00 C ATOM 215 CG LYS A 14 114.894 15.317 -6.963 1.00 0.00 C ATOM 216 CD LYS A 14 114.730 16.712 -7.574 1.00 0.00 C ATOM 217 CE LYS A 14 116.078 17.182 -8.128 1.00 0.00 C ATOM 218 NZ LYS A 14 115.809 18.519 -8.726 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.630 13.635 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 14 114.198 12.736 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 14 112.805 14.805 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.186 15.498 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.633 15.347 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.268 14.623 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 14 113.985 16.688 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.369 17.412 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.827 17.247 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.461 16.486 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.689 18.904 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.098 18.426 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.453 19.163 -7.991 1.00 0.00 H new ATOM 232 N ALA A 15 114.212 14.008 -3.534 1.00 0.00 N ATOM 233 CA ALA A 15 115.086 14.099 -2.329 1.00 0.00 C ATOM 234 C ALA A 15 115.476 12.700 -1.843 1.00 0.00 C ATOM 235 O ALA A 15 116.607 12.459 -1.468 1.00 0.00 O ATOM 236 CB ALA A 15 114.241 14.820 -1.280 1.00 0.00 C ATOM 0 H ALA A 15 113.272 14.389 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 15 116.017 14.628 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.816 14.926 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 15 113.964 15.807 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.339 14.242 -1.079 1.00 0.00 H new ATOM 242 N ILE A 16 114.558 11.777 -1.851 1.00 0.00 N ATOM 243 CA ILE A 16 114.889 10.398 -1.393 1.00 0.00 C ATOM 244 C ILE A 16 115.925 9.737 -2.320 1.00 0.00 C ATOM 245 O ILE A 16 116.857 9.100 -1.868 1.00 0.00 O ATOM 246 CB ILE A 16 113.548 9.640 -1.405 1.00 0.00 C ATOM 247 CG1 ILE A 16 112.667 10.145 -0.260 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.775 8.131 -1.268 1.00 0.00 C ATOM 249 CD1 ILE A 16 111.333 9.393 -0.266 1.00 0.00 C ATOM 0 H ILE A 16 113.594 11.916 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 16 115.342 10.394 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 16 113.049 9.823 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 16 113.174 9.999 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 16 112.493 11.216 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.814 7.616 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 16 114.385 7.778 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 16 114.287 7.924 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 16 110.708 9.755 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 16 110.824 9.562 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.516 8.326 -0.138 1.00 0.00 H new ATOM 261 N VAL A 17 115.764 9.879 -3.600 1.00 0.00 N ATOM 262 CA VAL A 17 116.733 9.262 -4.543 1.00 0.00 C ATOM 263 C VAL A 17 118.124 9.858 -4.283 1.00 0.00 C ATOM 264 O VAL A 17 119.117 9.159 -4.286 1.00 0.00 O ATOM 265 CB VAL A 17 116.205 9.635 -5.930 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.257 9.327 -6.999 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.940 8.831 -6.223 1.00 0.00 C ATOM 0 H VAL A 17 115.002 10.397 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 17 116.827 8.181 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 17 115.981 10.702 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.868 9.597 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.161 9.901 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.492 8.263 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.562 9.095 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.171 7.766 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.183 9.057 -5.472 1.00 0.00 H new ATOM 277 N ASP A 18 118.201 11.145 -4.085 1.00 0.00 N ATOM 278 CA ASP A 18 119.532 11.773 -3.849 1.00 0.00 C ATOM 279 C ASP A 18 120.155 11.186 -2.587 1.00 0.00 C ATOM 280 O ASP A 18 121.348 10.968 -2.513 1.00 0.00 O ATOM 281 CB ASP A 18 119.264 13.268 -3.671 1.00 0.00 C ATOM 282 CG ASP A 18 119.205 13.960 -5.037 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.474 13.305 -6.032 1.00 0.00 O ATOM 284 OD2 ASP A 18 118.889 15.137 -5.065 1.00 0.00 O1- ATOM 0 H ASP A 18 117.407 11.785 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 18 120.223 11.593 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.324 13.416 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.049 13.716 -3.062 1.00 0.00 H new ATOM 289 N ALA A 19 119.353 10.929 -1.593 1.00 0.00 N ATOM 290 CA ALA A 19 119.897 10.356 -0.331 1.00 0.00 C ATOM 291 C ALA A 19 120.557 9.004 -0.617 1.00 0.00 C ATOM 292 O ALA A 19 121.620 8.703 -0.110 1.00 0.00 O ATOM 293 CB ALA A 19 118.680 10.197 0.580 1.00 0.00 C ATOM 0 H ALA A 19 118.346 11.090 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 19 120.660 10.985 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.994 9.778 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.219 11.171 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.959 9.528 0.110 1.00 0.00 H new ATOM 299 N ILE A 20 119.944 8.193 -1.438 1.00 0.00 N ATOM 300 CA ILE A 20 120.550 6.871 -1.768 1.00 0.00 C ATOM 301 C ILE A 20 121.876 7.088 -2.498 1.00 0.00 C ATOM 302 O ILE A 20 122.862 6.443 -2.214 1.00 0.00 O ATOM 303 CB ILE A 20 119.526 6.184 -2.676 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.278 5.856 -1.857 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.119 4.887 -3.235 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.134 5.484 -2.800 1.00 0.00 C ATOM 0 H ILE A 20 119.052 8.388 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 20 120.766 6.269 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 20 119.267 6.847 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.484 5.031 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.996 6.713 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.387 4.401 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 20 121.016 5.115 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.376 4.220 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.243 5.250 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.923 6.322 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.419 4.614 -3.392 1.00 0.00 H new ATOM 318 N ARG A 21 121.905 8.005 -3.426 1.00 0.00 N ATOM 319 CA ARG A 21 123.165 8.272 -4.169 1.00 0.00 C ATOM 320 C ARG A 21 124.285 8.600 -3.182 1.00 0.00 C ATOM 321 O ARG A 21 125.394 8.114 -3.292 1.00 0.00 O ATOM 322 CB ARG A 21 122.852 9.496 -5.034 1.00 0.00 C ATOM 323 CG ARG A 21 121.895 9.112 -6.167 1.00 0.00 C ATOM 324 CD ARG A 21 121.563 10.359 -6.993 1.00 0.00 C ATOM 325 NE ARG A 21 120.654 9.887 -8.074 1.00 0.00 N ATOM 326 CZ ARG A 21 121.148 9.430 -9.192 1.00 0.00 C ATOM 327 NH1 ARG A 21 121.979 10.160 -9.885 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 120.804 8.247 -9.621 1.00 0.00 N ATOM 0 H ARG A 21 121.109 8.580 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 21 123.491 7.418 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.406 10.279 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.774 9.903 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.351 8.352 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 21 120.982 8.680 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.081 11.120 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.466 10.808 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 21 119.643 9.921 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.242 11.088 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 21 122.365 9.803 -10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 21 120.149 7.680 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.190 7.889 -10.495 1.00 0.00 H new ATOM 342 N ASP A 22 123.996 9.425 -2.214 1.00 0.00 N ATOM 343 CA ASP A 22 125.026 9.802 -1.204 1.00 0.00 C ATOM 344 C ASP A 22 125.478 8.579 -0.398 1.00 0.00 C ATOM 345 O ASP A 22 126.636 8.458 -0.043 1.00 0.00 O ATOM 346 CB ASP A 22 124.325 10.808 -0.288 1.00 0.00 C ATOM 347 CG ASP A 22 125.260 11.217 0.860 1.00 0.00 C ATOM 348 OD1 ASP A 22 126.383 10.737 0.898 1.00 0.00 O ATOM 349 OD2 ASP A 22 124.831 12.000 1.690 1.00 0.00 O1- ATOM 0 H ASP A 22 123.083 9.858 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 22 125.920 10.214 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 22 124.031 11.689 -0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 22 123.412 10.370 0.115 1.00 0.00 H new ATOM 354 N ALA A 23 124.579 7.686 -0.087 1.00 0.00 N ATOM 355 CA ALA A 23 124.983 6.494 0.716 1.00 0.00 C ATOM 356 C ALA A 23 125.994 5.650 -0.071 1.00 0.00 C ATOM 357 O ALA A 23 126.931 5.112 0.487 1.00 0.00 O ATOM 358 CB ALA A 23 123.699 5.713 0.984 1.00 0.00 C ATOM 0 H ALA A 23 123.594 7.727 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 23 125.467 6.775 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.930 4.824 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.000 6.341 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.250 5.416 0.037 1.00 0.00 H new ATOM 364 N GLU A 24 125.824 5.529 -1.365 1.00 0.00 N ATOM 365 CA GLU A 24 126.792 4.719 -2.170 1.00 0.00 C ATOM 366 C GLU A 24 128.209 5.298 -2.075 1.00 0.00 C ATOM 367 O GLU A 24 129.180 4.630 -2.376 1.00 0.00 O ATOM 368 CB GLU A 24 126.293 4.783 -3.612 1.00 0.00 C ATOM 369 CG GLU A 24 125.215 3.720 -3.825 1.00 0.00 C ATOM 370 CD GLU A 24 123.846 4.325 -3.529 1.00 0.00 C ATOM 371 OE1 GLU A 24 123.472 5.250 -4.229 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 123.196 3.852 -2.610 1.00 0.00 O ATOM 0 H GLU A 24 125.063 5.952 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 24 126.845 3.694 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.890 5.773 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 24 127.121 4.620 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 125.249 3.352 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 125.397 2.866 -3.173 1.00 0.00 H new ATOM 379 N LYS A 25 128.347 6.514 -1.612 1.00 0.00 N ATOM 380 CA LYS A 25 129.707 7.084 -1.454 1.00 0.00 C ATOM 381 C LYS A 25 130.194 6.860 -0.009 1.00 0.00 C ATOM 382 O LYS A 25 131.305 7.209 0.342 1.00 0.00 O ATOM 383 CB LYS A 25 129.561 8.568 -1.772 1.00 0.00 C ATOM 384 CG LYS A 25 129.168 8.736 -3.242 1.00 0.00 C ATOM 385 CD LYS A 25 128.945 10.218 -3.537 1.00 0.00 C ATOM 386 CE LYS A 25 128.604 10.408 -5.020 1.00 0.00 C ATOM 387 NZ LYS A 25 128.423 11.879 -5.195 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.580 7.128 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 25 130.441 6.616 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.804 9.017 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.498 9.088 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.951 8.338 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.261 8.170 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.136 10.604 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.840 10.787 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.402 10.031 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.698 9.865 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 128.187 12.084 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.652 12.209 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.304 12.370 -4.940 1.00 0.00 H new ATOM 401 N ASN A 26 129.375 6.263 0.834 1.00 0.00 N ATOM 402 CA ASN A 26 129.786 5.988 2.236 1.00 0.00 C ATOM 403 C ASN A 26 129.954 4.473 2.453 1.00 0.00 C ATOM 404 O ASN A 26 130.540 4.036 3.426 1.00 0.00 O ATOM 405 CB ASN A 26 128.633 6.513 3.094 1.00 0.00 C ATOM 406 CG ASN A 26 128.668 8.041 3.121 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.649 8.645 2.738 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.634 8.696 3.576 1.00 0.00 N ATOM 0 H ASN A 26 128.432 5.955 0.598 1.00 0.00 H new ATOM 0 HA ASN A 26 130.737 6.459 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.681 6.168 2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.712 6.119 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.650 9.715 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.810 8.188 3.898 1.00 0.00 H new ATOM 415 N THR A 27 129.445 3.667 1.552 1.00 0.00 N ATOM 416 CA THR A 27 129.578 2.188 1.695 1.00 0.00 C ATOM 417 C THR A 27 129.547 1.533 0.301 1.00 0.00 C ATOM 418 O THR A 27 129.057 2.111 -0.649 1.00 0.00 O ATOM 419 CB THR A 27 128.362 1.765 2.538 1.00 0.00 C ATOM 420 OG1 THR A 27 128.443 0.379 2.871 1.00 0.00 O ATOM 421 CG2 THR A 27 127.072 2.034 1.760 1.00 0.00 C ATOM 0 H THR A 27 128.941 3.975 0.720 1.00 0.00 H new ATOM 0 HA THR A 27 130.513 1.885 2.166 1.00 0.00 H new ATOM 0 HB THR A 27 128.358 2.347 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.664 0.126 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.215 1.733 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.000 3.097 1.532 1.00 0.00 H new ATOM 0 HG23 THR A 27 127.082 1.464 0.831 1.00 0.00 H new ATOM 429 N SER A 28 130.032 0.325 0.177 1.00 0.00 N ATOM 430 CA SER A 28 129.986 -0.358 -1.144 1.00 0.00 C ATOM 431 C SER A 28 128.658 -1.119 -1.307 1.00 0.00 C ATOM 432 O SER A 28 128.369 -1.656 -2.358 1.00 0.00 O ATOM 433 CB SER A 28 131.170 -1.321 -1.137 1.00 0.00 C ATOM 434 OG SER A 28 132.324 -0.641 -0.661 1.00 0.00 O ATOM 0 H SER A 28 130.456 -0.214 0.932 1.00 0.00 H new ATOM 0 HA SER A 28 130.045 0.346 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 28 130.952 -2.180 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.348 -1.704 -2.142 1.00 0.00 H new ATOM 0 HG SER A 28 133.087 -1.257 -0.653 1.00 0.00 H new ATOM 440 N GLY A 29 127.840 -1.162 -0.280 1.00 0.00 N ATOM 441 CA GLY A 29 126.542 -1.870 -0.379 1.00 0.00 C ATOM 442 C GLY A 29 125.584 -1.053 -1.244 1.00 0.00 C ATOM 443 O GLY A 29 125.856 0.083 -1.583 1.00 0.00 O ATOM 0 H GLY A 29 128.026 -0.731 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.687 -2.860 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.118 -2.016 0.614 1.00 0.00 H new ATOM 447 N GLU A 30 124.467 -1.615 -1.602 1.00 0.00 N ATOM 448 CA GLU A 30 123.494 -0.855 -2.448 1.00 0.00 C ATOM 449 C GLU A 30 122.086 -0.910 -1.839 1.00 0.00 C ATOM 450 O GLU A 30 121.630 -1.939 -1.384 1.00 0.00 O ATOM 451 CB GLU A 30 123.517 -1.536 -3.817 1.00 0.00 C ATOM 452 CG GLU A 30 124.912 -1.408 -4.437 1.00 0.00 C ATOM 453 CD GLU A 30 125.244 0.066 -4.674 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.321 0.863 -4.711 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.416 0.373 -4.818 1.00 0.00 O ATOM 0 H GLU A 30 124.181 -2.561 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 30 123.763 0.199 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.250 -2.588 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.775 -1.081 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.655 -1.855 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 124.952 -1.955 -5.379 1.00 0.00 H new ATOM 462 N ILE A 31 121.401 0.208 -1.830 1.00 0.00 N ATOM 463 CA ILE A 31 120.024 0.252 -1.251 1.00 0.00 C ATOM 464 C ILE A 31 118.999 0.665 -2.318 1.00 0.00 C ATOM 465 O ILE A 31 119.207 1.600 -3.065 1.00 0.00 O ATOM 466 CB ILE A 31 120.084 1.301 -0.144 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.087 0.856 0.923 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.699 1.436 0.492 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.384 2.028 1.860 1.00 0.00 C ATOM 0 H ILE A 31 121.740 1.096 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 31 119.715 -0.724 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 31 120.395 2.259 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.684 0.016 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.007 0.510 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.734 2.184 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.979 1.744 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.396 0.477 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.098 1.713 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.805 2.854 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.461 2.352 2.341 1.00 0.00 H new ATOM 481 N ARG A 32 117.890 -0.020 -2.379 1.00 0.00 N ATOM 482 CA ARG A 32 116.833 0.328 -3.376 1.00 0.00 C ATOM 483 C ARG A 32 115.444 0.211 -2.729 1.00 0.00 C ATOM 484 O ARG A 32 115.249 -0.531 -1.785 1.00 0.00 O ATOM 485 CB ARG A 32 116.993 -0.689 -4.508 1.00 0.00 C ATOM 486 CG ARG A 32 118.312 -0.443 -5.244 1.00 0.00 C ATOM 487 CD ARG A 32 118.531 -1.548 -6.282 1.00 0.00 C ATOM 488 NE ARG A 32 117.418 -1.391 -7.261 1.00 0.00 N ATOM 489 CZ ARG A 32 117.226 -2.300 -8.181 1.00 0.00 C ATOM 490 NH1 ARG A 32 118.232 -3.004 -8.624 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 116.026 -2.507 -8.655 1.00 0.00 N ATOM 0 H ARG A 32 117.667 -0.813 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 32 116.929 1.350 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 32 116.974 -1.701 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.157 -0.607 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 32 118.292 0.531 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 32 119.139 -0.427 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 32 119.501 -1.445 -6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 32 118.511 -2.534 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 32 116.807 -0.576 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 32 119.169 -2.845 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 32 118.082 -3.713 -9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.239 -1.959 -8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.876 -3.216 -9.373 1.00 0.00 H new ATOM 505 N VAL A 33 114.483 0.952 -3.222 1.00 0.00 N ATOM 506 CA VAL A 33 113.107 0.905 -2.635 1.00 0.00 C ATOM 507 C VAL A 33 112.063 0.539 -3.707 1.00 0.00 C ATOM 508 O VAL A 33 112.099 1.023 -4.817 1.00 0.00 O ATOM 509 CB VAL A 33 112.839 2.326 -2.100 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.368 2.453 -1.672 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.733 2.603 -0.891 1.00 0.00 C ATOM 0 H VAL A 33 114.592 1.591 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 33 113.035 0.150 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 33 113.056 3.045 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.184 3.459 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.722 2.263 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.153 1.727 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.539 3.609 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.519 1.877 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.779 2.521 -1.186 1.00 0.00 H new ATOM 521 N HIS A 34 111.099 -0.260 -3.337 1.00 0.00 N ATOM 522 CA HIS A 34 109.999 -0.612 -4.275 1.00 0.00 C ATOM 523 C HIS A 34 108.660 -0.224 -3.638 1.00 0.00 C ATOM 524 O HIS A 34 108.348 -0.613 -2.530 1.00 0.00 O ATOM 525 CB HIS A 34 110.087 -2.122 -4.475 1.00 0.00 C ATOM 526 CG HIS A 34 108.959 -2.567 -5.367 1.00 0.00 C ATOM 527 ND1 HIS A 34 107.741 -3.143 -5.091 1.00 0.00 N flip ATOM 528 CD2 HIS A 34 109.007 -2.429 -6.746 1.00 0.00 C flip ATOM 529 CE1 HIS A 34 107.046 -3.361 -6.277 1.00 0.00 C flip ATOM 530 NE2 HIS A 34 107.853 -2.913 -7.242 1.00 0.00 N flip ATOM 0 H HIS A 34 111.028 -0.688 -2.414 1.00 0.00 H new ATOM 0 HA HIS A 34 110.079 -0.091 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.046 -2.387 -4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.030 -2.633 -3.514 1.00 0.00 H new ATOM 0 HD1 HIS A 34 107.399 -3.375 -4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 34 109.822 -2.010 -7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 34 106.065 -3.798 -6.392 1.00 0.00 H new ATOM 538 N LEU A 35 107.887 0.567 -4.327 1.00 0.00 N ATOM 539 CA LEU A 35 106.577 1.031 -3.781 1.00 0.00 C ATOM 540 C LEU A 35 105.403 0.442 -4.574 1.00 0.00 C ATOM 541 O LEU A 35 105.335 0.532 -5.784 1.00 0.00 O ATOM 542 CB LEU A 35 106.631 2.551 -3.948 1.00 0.00 C ATOM 543 CG LEU A 35 105.432 3.191 -3.253 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.490 2.887 -1.754 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.482 4.705 -3.467 1.00 0.00 C ATOM 0 H LEU A 35 108.109 0.918 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 35 106.423 0.720 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.558 2.940 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.630 2.810 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 35 104.507 2.789 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.634 3.344 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.466 1.808 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.411 3.292 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.629 5.171 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.406 5.102 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.447 4.923 -4.534 1.00 0.00 H new ATOM 557 N GLU A 36 104.464 -0.142 -3.870 1.00 0.00 N ATOM 558 CA GLU A 36 103.252 -0.730 -4.518 1.00 0.00 C ATOM 559 C GLU A 36 102.052 -0.561 -3.570 1.00 0.00 C ATOM 560 O GLU A 36 102.209 -0.230 -2.413 1.00 0.00 O ATOM 561 CB GLU A 36 103.578 -2.203 -4.756 1.00 0.00 C ATOM 562 CG GLU A 36 102.415 -2.879 -5.483 1.00 0.00 C ATOM 563 CD GLU A 36 102.752 -4.353 -5.736 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.909 -4.718 -5.583 1.00 0.00 O ATOM 565 OE2 GLU A 36 101.848 -5.094 -6.084 1.00 0.00 O1- ATOM 0 H GLU A 36 104.488 -0.237 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 36 102.995 -0.244 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.490 -2.292 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.764 -2.702 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.506 -2.801 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.221 -2.373 -6.429 1.00 0.00 H new ATOM 572 N LYS A 37 100.854 -0.731 -4.068 1.00 0.00 N ATOM 573 CA LYS A 37 99.642 -0.519 -3.209 1.00 0.00 C ATOM 574 C LYS A 37 99.342 -1.712 -2.297 1.00 0.00 C ATOM 575 O LYS A 37 99.561 -1.654 -1.103 1.00 0.00 O ATOM 576 CB LYS A 37 98.499 -0.285 -4.196 1.00 0.00 C ATOM 577 CG LYS A 37 98.785 0.986 -4.994 1.00 0.00 C ATOM 578 CD LYS A 37 97.672 1.217 -6.020 1.00 0.00 C ATOM 579 CE LYS A 37 98.028 2.416 -6.904 1.00 0.00 C ATOM 580 NZ LYS A 37 97.892 3.608 -6.018 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.659 -1.007 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 37 99.791 0.319 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.401 -1.138 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.554 -0.190 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.855 1.841 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.746 0.900 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.539 0.326 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.725 1.397 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 37 99.042 2.330 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 97.360 2.485 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 97.766 4.461 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 97.066 3.487 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.749 3.709 -5.437 1.00 0.00 H new ATOM 594 N THR A 38 98.838 -2.788 -2.843 1.00 0.00 N ATOM 595 CA THR A 38 98.528 -3.975 -1.990 1.00 0.00 C ATOM 596 C THR A 38 98.928 -5.263 -2.714 1.00 0.00 C ATOM 597 O THR A 38 99.030 -5.305 -3.923 1.00 0.00 O ATOM 598 CB THR A 38 97.013 -3.933 -1.764 1.00 0.00 C ATOM 599 OG1 THR A 38 96.558 -2.586 -1.791 1.00 0.00 O ATOM 600 CG2 THR A 38 96.680 -4.551 -0.409 1.00 0.00 C ATOM 0 H THR A 38 98.629 -2.897 -3.835 1.00 0.00 H new ATOM 0 HA THR A 38 99.075 -3.954 -1.047 1.00 0.00 H new ATOM 0 HB THR A 38 96.519 -4.497 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 38 96.030 -2.435 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.602 -4.520 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 38 97.020 -5.586 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 38 97.179 -3.989 0.380 1.00 0.00 H new ATOM 608 N SER A 39 99.153 -6.313 -1.971 1.00 0.00 N ATOM 609 CA SER A 39 99.542 -7.605 -2.595 1.00 0.00 C ATOM 610 C SER A 39 98.348 -8.558 -2.621 1.00 0.00 C ATOM 611 O SER A 39 97.369 -8.367 -1.928 1.00 0.00 O ATOM 612 CB SER A 39 100.650 -8.163 -1.699 1.00 0.00 C ATOM 613 OG SER A 39 101.806 -7.343 -1.812 1.00 0.00 O ATOM 0 H SER A 39 99.083 -6.329 -0.954 1.00 0.00 H new ATOM 0 HA SER A 39 99.875 -7.481 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.313 -8.195 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 39 100.887 -9.187 -1.989 1.00 0.00 H new ATOM 0 HG SER A 39 102.500 -7.670 -1.202 1.00 0.00 H new ATOM 619 N GLU A 40 98.438 -9.598 -3.389 1.00 0.00 N ATOM 620 CA GLU A 40 97.332 -10.597 -3.442 1.00 0.00 C ATOM 621 C GLU A 40 97.728 -11.852 -2.656 1.00 0.00 C ATOM 622 O GLU A 40 96.904 -12.694 -2.352 1.00 0.00 O ATOM 623 CB GLU A 40 97.169 -10.928 -4.923 1.00 0.00 C ATOM 624 CG GLU A 40 96.666 -9.692 -5.670 1.00 0.00 C ATOM 625 CD GLU A 40 96.510 -10.011 -7.163 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.744 -11.148 -7.544 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 96.153 -9.109 -7.903 1.00 0.00 O ATOM 0 H GLU A 40 99.235 -9.806 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 40 96.408 -10.219 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.121 -11.256 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.466 -11.752 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.710 -9.370 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.365 -8.866 -5.537 1.00 0.00 H new ATOM 634 N ILE A 41 98.985 -11.992 -2.332 1.00 0.00 N ATOM 635 CA ILE A 41 99.449 -13.186 -1.581 1.00 0.00 C ATOM 636 C ILE A 41 100.188 -12.749 -0.294 1.00 0.00 C ATOM 637 O ILE A 41 99.630 -12.042 0.525 1.00 0.00 O ATOM 638 CB ILE A 41 100.376 -13.916 -2.566 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.468 -12.950 -3.057 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.568 -14.415 -3.760 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.567 -13.741 -3.761 1.00 0.00 C ATOM 0 H ILE A 41 99.717 -11.319 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 41 98.637 -13.832 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 41 100.839 -14.765 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.039 -12.216 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.885 -12.397 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.229 -14.932 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.795 -15.102 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.102 -13.568 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.341 -13.057 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.002 -14.458 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.143 -14.274 -4.613 1.00 0.00 H new ATOM 653 N ASP A 42 101.436 -13.130 -0.100 1.00 0.00 N ATOM 654 CA ASP A 42 102.157 -12.693 1.117 1.00 0.00 C ATOM 655 C ASP A 42 103.259 -11.698 0.726 1.00 0.00 C ATOM 656 O ASP A 42 103.930 -11.852 -0.275 1.00 0.00 O ATOM 657 CB ASP A 42 102.743 -13.972 1.716 1.00 0.00 C ATOM 658 CG ASP A 42 101.609 -14.861 2.235 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.531 -14.338 2.468 1.00 0.00 O ATOM 660 OD2 ASP A 42 101.837 -16.051 2.385 1.00 0.00 O1- ATOM 0 H ASP A 42 101.972 -13.721 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 42 101.513 -12.186 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.322 -14.506 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.427 -13.725 2.528 1.00 0.00 H new ATOM 665 N VAL A 43 103.428 -10.663 1.503 1.00 0.00 N ATOM 666 CA VAL A 43 104.460 -9.633 1.180 1.00 0.00 C ATOM 667 C VAL A 43 105.886 -10.210 1.241 1.00 0.00 C ATOM 668 O VAL A 43 106.695 -9.949 0.377 1.00 0.00 O ATOM 669 CB VAL A 43 104.253 -8.537 2.227 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.339 -7.468 2.088 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.879 -7.896 2.022 1.00 0.00 C ATOM 0 H VAL A 43 102.893 -10.484 2.353 1.00 0.00 H new ATOM 0 HA VAL A 43 104.352 -9.256 0.163 1.00 0.00 H new ATOM 0 HB VAL A 43 104.311 -8.976 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.184 -6.692 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.318 -7.923 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.290 -7.026 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.728 -7.114 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.825 -7.462 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.104 -8.655 2.130 1.00 0.00 H new ATOM 681 N PHE A 44 106.205 -10.988 2.241 1.00 0.00 N ATOM 682 CA PHE A 44 107.586 -11.565 2.317 1.00 0.00 C ATOM 683 C PHE A 44 107.867 -12.428 1.078 1.00 0.00 C ATOM 684 O PHE A 44 108.907 -12.309 0.458 1.00 0.00 O ATOM 685 CB PHE A 44 107.587 -12.424 3.587 1.00 0.00 C ATOM 686 CG PHE A 44 108.919 -13.122 3.751 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.121 -14.381 3.175 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.947 -12.520 4.491 1.00 0.00 C ATOM 689 CE1 PHE A 44 110.347 -15.038 3.334 1.00 0.00 C ATOM 690 CE2 PHE A 44 111.173 -13.178 4.652 1.00 0.00 C ATOM 691 CZ PHE A 44 111.373 -14.438 4.073 1.00 0.00 C ATOM 0 H PHE A 44 105.579 -11.249 3.003 1.00 0.00 H new ATOM 0 HA PHE A 44 108.357 -10.795 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.388 -11.798 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.787 -13.162 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 44 108.330 -14.847 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 44 109.793 -11.548 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 44 110.501 -16.009 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 44 111.964 -12.714 5.222 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.318 -14.946 4.197 1.00 0.00 H new ATOM 701 N ASP A 45 106.947 -13.267 0.687 1.00 0.00 N ATOM 702 CA ASP A 45 107.174 -14.096 -0.536 1.00 0.00 C ATOM 703 C ASP A 45 107.108 -13.198 -1.779 1.00 0.00 C ATOM 704 O ASP A 45 107.864 -13.371 -2.714 1.00 0.00 O ATOM 705 CB ASP A 45 106.044 -15.127 -0.541 1.00 0.00 C ATOM 706 CG ASP A 45 106.435 -16.325 0.328 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.616 -16.476 0.602 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.547 -17.070 0.711 1.00 0.00 O ATOM 0 H ASP A 45 106.053 -13.415 1.156 1.00 0.00 H new ATOM 0 HA ASP A 45 108.149 -14.583 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.126 -14.676 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.843 -15.455 -1.561 1.00 0.00 H new ATOM 713 N ARG A 46 106.226 -12.238 -1.803 1.00 0.00 N ATOM 714 CA ARG A 46 106.146 -11.337 -2.991 1.00 0.00 C ATOM 715 C ARG A 46 107.422 -10.501 -3.109 1.00 0.00 C ATOM 716 O ARG A 46 107.960 -10.334 -4.186 1.00 0.00 O ATOM 717 CB ARG A 46 104.938 -10.434 -2.744 1.00 0.00 C ATOM 718 CG ARG A 46 104.724 -9.539 -3.968 1.00 0.00 C ATOM 719 CD ARG A 46 103.481 -8.670 -3.765 1.00 0.00 C ATOM 720 NE ARG A 46 103.299 -7.954 -5.059 1.00 0.00 N ATOM 721 CZ ARG A 46 102.413 -8.374 -5.921 1.00 0.00 C ATOM 722 NH1 ARG A 46 102.709 -9.346 -6.742 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 101.230 -7.823 -5.962 1.00 0.00 N ATOM 0 H ARG A 46 105.560 -12.037 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 46 106.044 -11.900 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.049 -11.037 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.100 -9.824 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.598 -8.908 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.608 -10.152 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.609 -9.278 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.619 -7.969 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 46 103.868 -7.134 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 46 103.633 -9.777 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 46 102.016 -9.674 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 46 100.998 -7.065 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.538 -8.151 -6.635 1.00 0.00 H new ATOM 737 N ALA A 47 107.919 -9.975 -2.024 1.00 0.00 N ATOM 738 CA ALA A 47 109.161 -9.158 -2.101 1.00 0.00 C ATOM 739 C ALA A 47 110.340 -10.028 -2.543 1.00 0.00 C ATOM 740 O ALA A 47 111.185 -9.599 -3.297 1.00 0.00 O ATOM 741 CB ALA A 47 109.375 -8.619 -0.686 1.00 0.00 C ATOM 0 H ALA A 47 107.520 -10.075 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 47 109.081 -8.350 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.275 -8.005 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.516 -8.015 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.486 -9.452 0.008 1.00 0.00 H new ATOM 747 N MET A 48 110.396 -11.250 -2.093 1.00 0.00 N ATOM 748 CA MET A 48 111.512 -12.145 -2.513 1.00 0.00 C ATOM 749 C MET A 48 111.419 -12.390 -4.023 1.00 0.00 C ATOM 750 O MET A 48 112.408 -12.337 -4.728 1.00 0.00 O ATOM 751 CB MET A 48 111.295 -13.440 -1.727 1.00 0.00 C ATOM 752 CG MET A 48 112.428 -14.425 -2.016 1.00 0.00 C ATOM 753 SD MET A 48 112.181 -15.916 -1.021 1.00 0.00 S ATOM 754 CE MET A 48 110.650 -16.461 -1.815 1.00 0.00 C ATOM 0 H MET A 48 109.720 -11.668 -1.454 1.00 0.00 H new ATOM 0 HA MET A 48 112.498 -11.724 -2.316 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.254 -13.224 -0.659 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.338 -13.884 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.445 -14.678 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.391 -13.971 -1.781 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.611 -17.550 -1.821 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.795 -16.070 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.620 -16.092 -2.840 1.00 0.00 H new ATOM 764 N ASP A 49 110.241 -12.632 -4.535 1.00 0.00 N ATOM 765 CA ASP A 49 110.108 -12.847 -6.005 1.00 0.00 C ATOM 766 C ASP A 49 110.503 -11.563 -6.741 1.00 0.00 C ATOM 767 O ASP A 49 111.202 -11.595 -7.731 1.00 0.00 O ATOM 768 CB ASP A 49 108.636 -13.196 -6.245 1.00 0.00 C ATOM 769 CG ASP A 49 108.456 -13.741 -7.665 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.452 -14.069 -8.290 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.320 -13.826 -8.104 1.00 0.00 O ATOM 0 H ASP A 49 109.372 -12.690 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 49 110.756 -13.643 -6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.305 -13.937 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.015 -12.311 -6.104 1.00 0.00 H new ATOM 776 N VAL A 50 110.080 -10.434 -6.241 1.00 0.00 N ATOM 777 CA VAL A 50 110.451 -9.135 -6.878 1.00 0.00 C ATOM 778 C VAL A 50 111.959 -8.885 -6.713 1.00 0.00 C ATOM 779 O VAL A 50 112.622 -8.455 -7.636 1.00 0.00 O ATOM 780 CB VAL A 50 109.627 -8.072 -6.142 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.051 -6.669 -6.592 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.144 -8.271 -6.460 1.00 0.00 C ATOM 0 H VAL A 50 109.489 -10.354 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 50 110.245 -9.120 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 50 109.797 -8.172 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.459 -5.923 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.107 -6.519 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.889 -6.566 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.556 -7.517 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.986 -8.175 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.832 -9.263 -6.135 1.00 0.00 H new ATOM 792 N PHE A 51 112.507 -9.143 -5.559 1.00 0.00 N ATOM 793 CA PHE A 51 113.969 -8.910 -5.365 1.00 0.00 C ATOM 794 C PHE A 51 114.760 -9.768 -6.359 1.00 0.00 C ATOM 795 O PHE A 51 115.651 -9.286 -7.030 1.00 0.00 O ATOM 796 CB PHE A 51 114.248 -9.347 -3.922 1.00 0.00 C ATOM 797 CG PHE A 51 115.671 -9.003 -3.549 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.718 -9.849 -3.930 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.943 -7.834 -2.826 1.00 0.00 C ATOM 800 CE1 PHE A 51 118.038 -9.528 -3.587 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.262 -7.512 -2.484 1.00 0.00 C ATOM 802 CZ PHE A 51 118.309 -8.359 -2.865 1.00 0.00 C ATOM 0 H PHE A 51 112.011 -9.503 -4.744 1.00 0.00 H new ATOM 0 HA PHE A 51 114.260 -7.873 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.554 -8.852 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.085 -10.420 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.509 -10.749 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.135 -7.181 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.846 -10.182 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.471 -6.611 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.327 -8.111 -2.602 1.00 0.00 H new ATOM 812 N HIS A 52 114.428 -11.023 -6.486 1.00 0.00 N ATOM 813 CA HIS A 52 115.152 -11.885 -7.468 1.00 0.00 C ATOM 814 C HIS A 52 114.692 -11.548 -8.892 1.00 0.00 C ATOM 815 O HIS A 52 115.473 -11.560 -9.822 1.00 0.00 O ATOM 816 CB HIS A 52 114.788 -13.320 -7.097 1.00 0.00 C ATOM 817 CG HIS A 52 115.445 -13.675 -5.793 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.487 -13.031 -4.580 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.188 -14.833 -5.633 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.243 -13.776 -3.681 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.642 -14.851 -4.366 1.00 0.00 N flip ATOM 0 H HIS A 52 113.691 -11.489 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 52 116.231 -11.734 -7.439 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.706 -13.423 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.114 -14.005 -7.880 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.370 -15.584 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.461 -13.537 -2.651 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.221 -15.595 -3.976 1.00 0.00 H new ATOM 829 N ASN A 53 113.439 -11.237 -9.070 1.00 0.00 N ATOM 830 CA ASN A 53 112.947 -10.889 -10.434 1.00 0.00 C ATOM 831 C ASN A 53 113.690 -9.657 -10.943 1.00 0.00 C ATOM 832 O ASN A 53 114.060 -9.573 -12.099 1.00 0.00 O ATOM 833 CB ASN A 53 111.461 -10.581 -10.263 1.00 0.00 C ATOM 834 CG ASN A 53 110.880 -10.135 -11.606 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.252 -10.652 -12.641 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.981 -9.190 -11.637 1.00 0.00 N ATOM 0 H ASN A 53 112.735 -11.208 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 53 113.109 -11.693 -11.152 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.934 -11.464 -9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.323 -9.799 -9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.591 -8.886 -12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.668 -8.755 -10.769 1.00 0.00 H new ATOM 843 N LEU A 54 113.950 -8.716 -10.077 1.00 0.00 N ATOM 844 CA LEU A 54 114.713 -7.507 -10.499 1.00 0.00 C ATOM 845 C LEU A 54 116.224 -7.808 -10.495 1.00 0.00 C ATOM 846 O LEU A 54 117.034 -6.938 -10.749 1.00 0.00 O ATOM 847 CB LEU A 54 114.364 -6.435 -9.470 1.00 0.00 C ATOM 848 CG LEU A 54 112.864 -6.141 -9.538 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.484 -5.147 -8.441 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.527 -5.546 -10.908 1.00 0.00 C ATOM 0 H LEU A 54 113.668 -8.732 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 54 114.460 -7.187 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.636 -6.772 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.934 -5.527 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 54 112.305 -7.066 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.415 -4.940 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.725 -5.571 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.040 -4.220 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.459 -5.335 -10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.087 -4.622 -11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.795 -6.257 -11.689 1.00 0.00 H new ATOM 862 N LYS A 55 116.606 -9.041 -10.220 1.00 0.00 N ATOM 863 CA LYS A 55 118.040 -9.422 -10.215 1.00 0.00 C ATOM 864 C LYS A 55 118.858 -8.556 -9.256 1.00 0.00 C ATOM 865 O LYS A 55 120.018 -8.279 -9.494 1.00 0.00 O ATOM 866 CB LYS A 55 118.494 -9.240 -11.664 1.00 0.00 C ATOM 867 CG LYS A 55 117.806 -10.292 -12.537 1.00 0.00 C ATOM 868 CD LYS A 55 118.244 -10.126 -13.991 1.00 0.00 C ATOM 869 CE LYS A 55 117.551 -11.182 -14.854 1.00 0.00 C ATOM 870 NZ LYS A 55 118.060 -10.945 -16.232 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.965 -9.802 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 55 118.186 -10.444 -9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.244 -8.238 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.577 -9.342 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.058 -11.292 -12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.724 -10.190 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.992 -9.127 -14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.326 -10.229 -14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.789 -12.189 -14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.467 -11.079 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.630 -11.632 -16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.813 -9.981 -16.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.094 -11.057 -16.244 1.00 0.00 H new ATOM 884 N MET A 56 118.279 -8.148 -8.160 1.00 0.00 N ATOM 885 CA MET A 56 119.048 -7.326 -7.183 1.00 0.00 C ATOM 886 C MET A 56 120.130 -8.185 -6.514 1.00 0.00 C ATOM 887 O MET A 56 121.048 -7.672 -5.906 1.00 0.00 O ATOM 888 CB MET A 56 118.029 -6.862 -6.145 1.00 0.00 C ATOM 889 CG MET A 56 117.037 -5.891 -6.783 1.00 0.00 C ATOM 890 SD MET A 56 115.796 -5.421 -5.553 1.00 0.00 S ATOM 891 CE MET A 56 116.918 -4.550 -4.430 1.00 0.00 C ATOM 0 H MET A 56 117.313 -8.347 -7.900 1.00 0.00 H new ATOM 0 HA MET A 56 119.547 -6.484 -7.663 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.497 -7.721 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.540 -6.378 -5.313 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.559 -5.006 -7.148 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.556 -6.356 -7.644 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.417 -3.671 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.204 -5.214 -3.614 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.810 -4.240 -4.975 1.00 0.00 H new ATOM 901 N ASP A 57 120.046 -9.488 -6.630 1.00 0.00 N ATOM 902 CA ASP A 57 121.090 -10.352 -6.004 1.00 0.00 C ATOM 903 C ASP A 57 122.355 -10.366 -6.873 1.00 0.00 C ATOM 904 O ASP A 57 123.362 -10.936 -6.497 1.00 0.00 O ATOM 905 CB ASP A 57 120.479 -11.754 -5.941 1.00 0.00 C ATOM 906 CG ASP A 57 120.056 -12.209 -7.345 1.00 0.00 C ATOM 907 OD1 ASP A 57 120.149 -11.415 -8.267 1.00 0.00 O ATOM 908 OD2 ASP A 57 119.646 -13.351 -7.472 1.00 0.00 O1- ATOM 0 H ASP A 57 119.307 -9.985 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 57 121.377 -9.990 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 57 121.202 -12.456 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.616 -11.753 -5.275 1.00 0.00 H new ATOM 913 N ASN A 58 122.324 -9.753 -8.030 1.00 0.00 N ATOM 914 CA ASN A 58 123.534 -9.755 -8.890 1.00 0.00 C ATOM 915 C ASN A 58 124.433 -8.567 -8.548 1.00 0.00 C ATOM 916 O ASN A 58 124.486 -7.572 -9.244 1.00 0.00 O ATOM 917 CB ASN A 58 123.015 -9.671 -10.323 1.00 0.00 C ATOM 918 CG ASN A 58 124.191 -9.756 -11.295 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.335 -9.729 -10.886 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.958 -9.859 -12.574 1.00 0.00 N ATOM 0 H ASN A 58 121.518 -9.257 -8.409 1.00 0.00 H new ATOM 0 HA ASN A 58 124.142 -10.648 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.311 -10.481 -10.515 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.473 -8.737 -10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.736 -9.917 -13.231 1.00 0.00 H new ATOM 0 HD22 ASN A 58 122.998 -9.882 -12.917 1.00 0.00 H new ATOM 927 N THR A 59 125.168 -8.708 -7.482 1.00 0.00 N ATOM 928 CA THR A 59 126.124 -7.655 -7.048 1.00 0.00 C ATOM 929 C THR A 59 127.411 -8.360 -6.631 1.00 0.00 C ATOM 930 O THR A 59 127.404 -9.525 -6.288 1.00 0.00 O ATOM 931 CB THR A 59 125.461 -6.964 -5.855 1.00 0.00 C ATOM 932 OG1 THR A 59 124.233 -6.384 -6.273 1.00 0.00 O ATOM 933 CG2 THR A 59 126.388 -5.874 -5.310 1.00 0.00 C ATOM 0 H THR A 59 125.145 -9.530 -6.879 1.00 0.00 H new ATOM 0 HA THR A 59 126.360 -6.925 -7.822 1.00 0.00 H new ATOM 0 HB THR A 59 125.270 -7.695 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 59 123.804 -5.942 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 59 125.913 -5.384 -4.460 1.00 0.00 H new ATOM 0 HG22 THR A 59 127.329 -6.323 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 59 126.583 -5.139 -6.091 1.00 0.00 H new ATOM 941 N LYS A 60 128.518 -7.683 -6.692 1.00 0.00 N ATOM 942 CA LYS A 60 129.805 -8.339 -6.333 1.00 0.00 C ATOM 943 C LYS A 60 129.807 -8.819 -4.876 1.00 0.00 C ATOM 944 O LYS A 60 130.215 -9.925 -4.584 1.00 0.00 O ATOM 945 CB LYS A 60 130.868 -7.264 -6.547 1.00 0.00 C ATOM 946 CG LYS A 60 132.257 -7.873 -6.355 1.00 0.00 C ATOM 947 CD LYS A 60 133.320 -6.815 -6.642 1.00 0.00 C ATOM 948 CE LYS A 60 134.709 -7.430 -6.470 1.00 0.00 C ATOM 949 NZ LYS A 60 135.657 -6.322 -6.771 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.590 -6.705 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 60 129.983 -9.227 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.779 -6.844 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.718 -6.445 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.365 -8.246 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.388 -8.725 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.203 -6.432 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.199 -5.969 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.851 -7.808 -5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.856 -8.271 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 136.634 -6.665 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 135.502 -5.987 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 135.498 -5.539 -6.106 1.00 0.00 H new ATOM 963 N LEU A 61 129.341 -8.013 -3.956 1.00 0.00 N ATOM 964 CA LEU A 61 129.316 -8.459 -2.532 1.00 0.00 C ATOM 965 C LEU A 61 127.919 -8.940 -2.121 1.00 0.00 C ATOM 966 O LEU A 61 127.722 -9.377 -1.006 1.00 0.00 O ATOM 967 CB LEU A 61 129.725 -7.242 -1.701 1.00 0.00 C ATOM 968 CG LEU A 61 131.156 -6.841 -2.050 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.557 -5.614 -1.226 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.096 -8.005 -1.732 1.00 0.00 C ATOM 0 H LEU A 61 128.980 -7.074 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 61 129.991 -9.301 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.046 -6.412 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.650 -7.473 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 61 131.222 -6.599 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.579 -5.327 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.883 -4.788 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.495 -5.853 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.120 -7.724 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.032 -8.245 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.807 -8.877 -2.319 1.00 0.00 H new ATOM 982 N GLN A 62 126.951 -8.858 -3.011 1.00 0.00 N ATOM 983 CA GLN A 62 125.567 -9.319 -2.690 1.00 0.00 C ATOM 984 C GLN A 62 124.991 -8.556 -1.495 1.00 0.00 C ATOM 985 O GLN A 62 124.486 -9.122 -0.548 1.00 0.00 O ATOM 986 CB GLN A 62 125.693 -10.820 -2.382 1.00 0.00 C ATOM 987 CG GLN A 62 126.084 -11.569 -3.656 1.00 0.00 C ATOM 988 CD GLN A 62 126.284 -13.052 -3.340 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.035 -13.489 -2.233 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.731 -13.849 -4.272 1.00 0.00 N ATOM 0 H GLN A 62 127.068 -8.487 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 62 124.883 -9.136 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.443 -10.982 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.748 -11.204 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.308 -11.450 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.000 -11.148 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 62 126.940 -13.482 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.872 -14.839 -4.072 1.00 0.00 H new ATOM 999 N ASN A 63 125.091 -7.255 -1.570 1.00 0.00 N ATOM 1000 CA ASN A 63 124.579 -6.348 -0.500 1.00 0.00 C ATOM 1001 C ASN A 63 123.554 -5.364 -1.076 1.00 0.00 C ATOM 1002 O ASN A 63 123.665 -4.165 -0.909 1.00 0.00 O ATOM 1003 CB ASN A 63 125.809 -5.593 0.016 1.00 0.00 C ATOM 1004 CG ASN A 63 126.708 -6.549 0.798 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.246 -7.531 1.336 1.00 0.00 O ATOM 1006 ND2 ASN A 63 127.984 -6.299 0.879 1.00 0.00 N ATOM 0 H ASN A 63 125.521 -6.768 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 63 124.078 -6.902 0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.360 -5.162 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.499 -4.766 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.596 -6.931 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.371 -5.472 0.425 1.00 0.00 H new ATOM 1013 N GLY A 64 122.541 -5.868 -1.730 1.00 0.00 N ATOM 1014 CA GLY A 64 121.486 -4.973 -2.290 1.00 0.00 C ATOM 1015 C GLY A 64 120.276 -5.006 -1.353 1.00 0.00 C ATOM 1016 O GLY A 64 119.954 -6.032 -0.787 1.00 0.00 O ATOM 0 H GLY A 64 122.398 -6.863 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.864 -3.955 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.201 -5.302 -3.289 1.00 0.00 H new ATOM 1020 N VAL A 65 119.601 -3.898 -1.173 1.00 0.00 N ATOM 1021 CA VAL A 65 118.422 -3.905 -0.257 1.00 0.00 C ATOM 1022 C VAL A 65 117.168 -3.409 -0.984 1.00 0.00 C ATOM 1023 O VAL A 65 117.186 -2.413 -1.668 1.00 0.00 O ATOM 1024 CB VAL A 65 118.804 -2.959 0.895 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.580 -2.663 1.773 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.884 -3.618 1.749 1.00 0.00 C ATOM 0 H VAL A 65 119.812 -3.002 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 65 118.189 -4.907 0.104 1.00 0.00 H new ATOM 0 HB VAL A 65 119.174 -2.024 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.867 -1.993 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.805 -2.191 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.198 -3.594 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.158 -2.952 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.504 -4.555 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.762 -3.819 1.135 1.00 0.00 H new ATOM 1036 N LEU A 66 116.076 -4.096 -0.809 1.00 0.00 N ATOM 1037 CA LEU A 66 114.818 -3.663 -1.459 1.00 0.00 C ATOM 1038 C LEU A 66 113.777 -3.307 -0.394 1.00 0.00 C ATOM 1039 O LEU A 66 113.459 -4.107 0.464 1.00 0.00 O ATOM 1040 CB LEU A 66 114.351 -4.888 -2.242 1.00 0.00 C ATOM 1041 CG LEU A 66 113.124 -4.517 -3.076 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.518 -3.507 -4.156 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.555 -5.776 -3.736 1.00 0.00 C ATOM 0 H LEU A 66 116.004 -4.941 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 66 114.956 -2.786 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.151 -5.246 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.108 -5.700 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 66 112.369 -4.073 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.640 -3.246 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.919 -2.609 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.276 -3.946 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.680 -5.512 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.311 -6.222 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.267 -6.492 -2.966 1.00 0.00 H new ATOM 1055 N ILE A 67 113.240 -2.127 -0.453 1.00 0.00 N ATOM 1056 CA ILE A 67 112.211 -1.747 0.560 1.00 0.00 C ATOM 1057 C ILE A 67 110.820 -1.843 -0.062 1.00 0.00 C ATOM 1058 O ILE A 67 110.461 -1.072 -0.923 1.00 0.00 O ATOM 1059 CB ILE A 67 112.532 -0.315 0.986 1.00 0.00 C ATOM 1060 CG1 ILE A 67 113.912 -0.276 1.648 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.473 0.170 1.976 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.278 1.169 1.993 1.00 0.00 C ATOM 0 H ILE A 67 113.461 -1.413 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 67 112.224 -2.411 1.424 1.00 0.00 H new ATOM 0 HB ILE A 67 112.534 0.334 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.910 -0.886 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.660 -0.701 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.701 1.191 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.492 0.143 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.470 -0.478 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.261 1.193 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.298 1.767 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.537 1.578 2.679 1.00 0.00 H new ATOM 1074 N TYR A 68 110.034 -2.791 0.365 1.00 0.00 N ATOM 1075 CA TYR A 68 108.673 -2.933 -0.218 1.00 0.00 C ATOM 1076 C TYR A 68 107.650 -2.230 0.667 1.00 0.00 C ATOM 1077 O TYR A 68 107.504 -2.532 1.831 1.00 0.00 O ATOM 1078 CB TYR A 68 108.409 -4.436 -0.230 1.00 0.00 C ATOM 1079 CG TYR A 68 107.108 -4.702 -0.944 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.896 -4.609 -0.247 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.110 -5.029 -2.306 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.687 -4.846 -0.913 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.901 -5.264 -2.970 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.691 -5.174 -2.275 1.00 0.00 C ATOM 1085 OH TYR A 68 103.502 -5.408 -2.931 1.00 0.00 O ATOM 0 H TYR A 68 110.274 -3.469 1.088 1.00 0.00 H new ATOM 0 HA TYR A 68 108.600 -2.492 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.226 -4.957 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.363 -4.818 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 68 105.894 -4.355 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.044 -5.100 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.752 -4.776 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.902 -5.515 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 68 102.954 -6.027 -2.404 1.00 0.00 H new ATOM 1095 N VAL A 69 106.953 -1.275 0.124 1.00 0.00 N ATOM 1096 CA VAL A 69 105.959 -0.534 0.941 1.00 0.00 C ATOM 1097 C VAL A 69 104.562 -0.630 0.322 1.00 0.00 C ATOM 1098 O VAL A 69 104.362 -0.376 -0.849 1.00 0.00 O ATOM 1099 CB VAL A 69 106.461 0.914 0.933 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.432 1.831 1.605 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.790 0.994 1.687 1.00 0.00 C ATOM 0 H VAL A 69 107.029 -0.976 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 69 105.870 -0.937 1.950 1.00 0.00 H new ATOM 0 HB VAL A 69 106.604 1.238 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.798 2.858 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.488 1.777 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.278 1.511 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.149 2.023 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.645 0.664 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.524 0.352 1.200 1.00 0.00 H new ATOM 1111 N ALA A 70 103.595 -0.966 1.130 1.00 0.00 N ATOM 1112 CA ALA A 70 102.191 -1.060 0.650 1.00 0.00 C ATOM 1113 C ALA A 70 101.443 0.212 1.043 1.00 0.00 C ATOM 1114 O ALA A 70 100.888 0.308 2.115 1.00 0.00 O ATOM 1115 CB ALA A 70 101.609 -2.264 1.389 1.00 0.00 C ATOM 0 H ALA A 70 103.722 -1.183 2.119 1.00 0.00 H new ATOM 0 HA ALA A 70 102.116 -1.170 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.570 -2.406 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.183 -3.156 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.659 -2.090 2.464 1.00 0.00 H new ATOM 1121 N VAL A 71 101.449 1.195 0.197 1.00 0.00 N ATOM 1122 CA VAL A 71 100.763 2.476 0.536 1.00 0.00 C ATOM 1123 C VAL A 71 99.271 2.260 0.784 1.00 0.00 C ATOM 1124 O VAL A 71 98.643 3.034 1.484 1.00 0.00 O ATOM 1125 CB VAL A 71 100.978 3.394 -0.665 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.455 3.780 -0.756 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.553 2.687 -1.956 1.00 0.00 C ATOM 0 H VAL A 71 101.899 1.172 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 71 101.168 2.905 1.453 1.00 0.00 H new ATOM 0 HB VAL A 71 100.372 4.291 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.608 4.435 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.752 4.299 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.059 2.881 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.711 3.353 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.147 1.783 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.497 2.422 -1.895 1.00 0.00 H new ATOM 1137 N GLU A 72 98.694 1.224 0.241 1.00 0.00 N ATOM 1138 CA GLU A 72 97.246 0.989 0.490 1.00 0.00 C ATOM 1139 C GLU A 72 97.045 0.630 1.971 1.00 0.00 C ATOM 1140 O GLU A 72 96.129 1.105 2.613 1.00 0.00 O ATOM 1141 CB GLU A 72 96.880 -0.168 -0.432 1.00 0.00 C ATOM 1142 CG GLU A 72 95.372 -0.161 -0.672 1.00 0.00 C ATOM 1143 CD GLU A 72 94.962 1.134 -1.388 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.843 1.860 -1.824 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 93.771 1.376 -1.490 1.00 0.00 O ATOM 0 H GLU A 72 99.156 0.539 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 72 96.619 1.858 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.411 -0.076 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.185 -1.115 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.087 -1.025 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 72 94.844 -0.245 0.278 1.00 0.00 H new ATOM 1152 N ASP A 73 97.913 -0.173 2.527 1.00 0.00 N ATOM 1153 CA ASP A 73 97.789 -0.529 3.977 1.00 0.00 C ATOM 1154 C ASP A 73 98.813 0.249 4.816 1.00 0.00 C ATOM 1155 O ASP A 73 98.927 0.050 6.012 1.00 0.00 O ATOM 1156 CB ASP A 73 98.083 -2.027 4.056 1.00 0.00 C ATOM 1157 CG ASP A 73 96.947 -2.815 3.401 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.902 -2.232 3.163 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.143 -3.993 3.152 1.00 0.00 O ATOM 0 H ASP A 73 98.703 -0.599 2.043 1.00 0.00 H new ATOM 0 HA ASP A 73 96.801 -0.282 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.026 -2.248 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.195 -2.330 5.097 1.00 0.00 H new ATOM 1164 N LYS A 74 99.563 1.136 4.208 1.00 0.00 N ATOM 1165 CA LYS A 74 100.575 1.919 4.975 1.00 0.00 C ATOM 1166 C LYS A 74 101.542 0.984 5.710 1.00 0.00 C ATOM 1167 O LYS A 74 101.851 1.186 6.867 1.00 0.00 O ATOM 1168 CB LYS A 74 99.775 2.748 5.977 1.00 0.00 C ATOM 1169 CG LYS A 74 100.478 4.089 6.195 1.00 0.00 C ATOM 1170 CD LYS A 74 99.616 4.978 7.090 1.00 0.00 C ATOM 1171 CE LYS A 74 100.327 6.307 7.338 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.418 7.069 8.237 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.516 1.350 3.212 1.00 0.00 H new ATOM 0 HA LYS A 74 101.179 2.545 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.763 2.910 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.687 2.212 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.454 3.930 6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.653 4.580 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.649 5.155 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.422 4.476 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.302 6.153 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.499 6.843 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.839 7.995 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.500 7.207 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.278 6.538 9.120 1.00 0.00 H new ATOM 1186 N THR A 75 102.033 -0.026 5.047 1.00 0.00 N ATOM 1187 CA THR A 75 102.989 -0.959 5.711 1.00 0.00 C ATOM 1188 C THR A 75 104.318 -0.948 4.951 1.00 0.00 C ATOM 1189 O THR A 75 104.394 -0.494 3.827 1.00 0.00 O ATOM 1190 CB THR A 75 102.330 -2.340 5.636 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.201 -2.725 4.274 1.00 0.00 O ATOM 1192 CG2 THR A 75 100.946 -2.289 6.289 1.00 0.00 C ATOM 0 H THR A 75 101.815 -0.246 4.075 1.00 0.00 H new ATOM 0 HA THR A 75 103.200 -0.679 6.743 1.00 0.00 H new ATOM 0 HB THR A 75 102.948 -3.066 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.287 -3.035 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.481 -3.273 6.233 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.047 -1.994 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.323 -1.563 5.766 1.00 0.00 H new ATOM 1200 N PHE A 76 105.369 -1.433 5.555 1.00 0.00 N ATOM 1201 CA PHE A 76 106.691 -1.438 4.863 1.00 0.00 C ATOM 1202 C PHE A 76 107.471 -2.711 5.202 1.00 0.00 C ATOM 1203 O PHE A 76 107.391 -3.227 6.301 1.00 0.00 O ATOM 1204 CB PHE A 76 107.420 -0.203 5.406 1.00 0.00 C ATOM 1205 CG PHE A 76 107.656 -0.347 6.894 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.698 0.114 7.803 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.835 -0.942 7.359 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.919 -0.019 9.177 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.057 -1.073 8.733 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.099 -0.612 9.643 1.00 0.00 C ATOM 0 H PHE A 76 105.370 -1.826 6.496 1.00 0.00 H new ATOM 0 HA PHE A 76 106.588 -1.414 3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.372 -0.078 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.830 0.692 5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.788 0.572 7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.573 -1.300 6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.179 0.336 9.879 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.967 -1.530 9.092 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.270 -0.714 10.705 1.00 0.00 H new ATOM 1220 N VAL A 77 108.233 -3.207 4.270 1.00 0.00 N ATOM 1221 CA VAL A 77 109.033 -4.431 4.526 1.00 0.00 C ATOM 1222 C VAL A 77 110.451 -4.216 3.993 1.00 0.00 C ATOM 1223 O VAL A 77 110.630 -3.678 2.917 1.00 0.00 O ATOM 1224 CB VAL A 77 108.320 -5.540 3.743 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.181 -6.809 3.735 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.976 -5.841 4.407 1.00 0.00 C ATOM 0 H VAL A 77 108.336 -2.813 3.335 1.00 0.00 H new ATOM 0 HA VAL A 77 109.112 -4.679 5.584 1.00 0.00 H new ATOM 0 HB VAL A 77 108.159 -5.211 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.669 -7.593 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.140 -6.595 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.347 -7.142 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.465 -6.629 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.142 -6.168 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.361 -4.941 4.408 1.00 0.00 H new ATOM 1236 N ILE A 78 111.452 -4.639 4.711 1.00 0.00 N ATOM 1237 CA ILE A 78 112.832 -4.457 4.198 1.00 0.00 C ATOM 1238 C ILE A 78 113.502 -5.816 3.973 1.00 0.00 C ATOM 1239 O ILE A 78 113.558 -6.654 4.849 1.00 0.00 O ATOM 1240 CB ILE A 78 113.543 -3.635 5.266 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.818 -2.297 5.414 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.989 -3.376 4.834 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.354 -1.554 6.636 1.00 0.00 C ATOM 0 H ILE A 78 111.375 -5.097 5.619 1.00 0.00 H new ATOM 0 HA ILE A 78 112.860 -3.952 3.232 1.00 0.00 H new ATOM 0 HB ILE A 78 113.539 -4.174 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.961 -1.694 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.746 -2.463 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.497 -2.788 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.506 -4.327 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.995 -2.829 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.835 -0.601 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.188 -2.156 7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.422 -1.374 6.513 1.00 0.00 H new ATOM 1255 N TYR A 79 113.991 -6.031 2.785 1.00 0.00 N ATOM 1256 CA TYR A 79 114.655 -7.323 2.453 1.00 0.00 C ATOM 1257 C TYR A 79 116.035 -7.070 1.844 1.00 0.00 C ATOM 1258 O TYR A 79 116.158 -6.520 0.770 1.00 0.00 O ATOM 1259 CB TYR A 79 113.740 -7.990 1.422 1.00 0.00 C ATOM 1260 CG TYR A 79 114.273 -9.367 1.109 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.346 -10.329 2.123 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.696 -9.684 -0.190 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.843 -11.605 1.844 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.191 -10.961 -0.468 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.266 -11.922 0.550 1.00 0.00 C ATOM 1266 OH TYR A 79 115.760 -13.188 0.280 1.00 0.00 O ATOM 0 H TYR A 79 113.959 -5.358 2.019 1.00 0.00 H new ATOM 0 HA TYR A 79 114.802 -7.944 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.724 -8.059 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.695 -7.389 0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.018 -10.085 3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.639 -8.943 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.900 -12.346 2.628 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.516 -11.208 -1.468 1.00 0.00 H new ATOM 0 HH TYR A 79 116.010 -13.247 -0.666 1.00 0.00 H new ATOM 1276 N GLY A 80 117.076 -7.465 2.525 1.00 0.00 N ATOM 1277 CA GLY A 80 118.440 -7.247 1.983 1.00 0.00 C ATOM 1278 C GLY A 80 118.948 -8.548 1.378 1.00 0.00 C ATOM 1279 O GLY A 80 118.340 -9.592 1.513 1.00 0.00 O ATOM 0 H GLY A 80 117.037 -7.929 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.423 -6.462 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.111 -6.913 2.775 1.00 0.00 H new ATOM 1283 N ASP A 81 120.056 -8.490 0.700 1.00 0.00 N ATOM 1284 CA ASP A 81 120.606 -9.720 0.070 1.00 0.00 C ATOM 1285 C ASP A 81 121.370 -10.549 1.114 1.00 0.00 C ATOM 1286 O ASP A 81 121.532 -10.141 2.247 1.00 0.00 O ATOM 1287 CB ASP A 81 121.529 -9.203 -1.038 1.00 0.00 C ATOM 1288 CG ASP A 81 122.035 -10.370 -1.891 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.499 -11.459 -1.752 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.945 -10.154 -2.670 1.00 0.00 O ATOM 0 H ASP A 81 120.606 -7.644 0.554 1.00 0.00 H new ATOM 0 HA ASP A 81 119.836 -10.379 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.993 -8.490 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.373 -8.670 -0.600 1.00 0.00 H new ATOM 1295 N LYS A 82 121.821 -11.717 0.747 1.00 0.00 N ATOM 1296 CA LYS A 82 122.554 -12.586 1.715 1.00 0.00 C ATOM 1297 C LYS A 82 123.818 -11.901 2.245 1.00 0.00 C ATOM 1298 O LYS A 82 124.285 -12.196 3.327 1.00 0.00 O ATOM 1299 CB LYS A 82 122.922 -13.834 0.919 1.00 0.00 C ATOM 1300 CG LYS A 82 121.665 -14.661 0.652 1.00 0.00 C ATOM 1301 CD LYS A 82 122.044 -15.888 -0.173 1.00 0.00 C ATOM 1302 CE LYS A 82 120.816 -16.773 -0.389 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.323 -17.923 -1.187 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.713 -12.111 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 82 121.943 -12.810 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.391 -13.551 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.650 -14.428 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.208 -14.967 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.926 -14.062 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.452 -15.578 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.824 -16.453 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.393 -17.104 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.029 -16.237 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.542 -18.582 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.714 -17.576 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 122.067 -18.415 -0.653 1.00 0.00 H new ATOM 1317 N GLY A 83 124.385 -11.005 1.488 1.00 0.00 N ATOM 1318 CA GLY A 83 125.631 -10.327 1.948 1.00 0.00 C ATOM 1319 C GLY A 83 125.350 -9.480 3.193 1.00 0.00 C ATOM 1320 O GLY A 83 126.013 -9.621 4.208 1.00 0.00 O ATOM 0 H GLY A 83 124.042 -10.712 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.396 -11.071 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.024 -9.695 1.152 1.00 0.00 H new ATOM 1324 N ILE A 84 124.365 -8.621 3.151 1.00 0.00 N ATOM 1325 CA ILE A 84 124.057 -7.805 4.360 1.00 0.00 C ATOM 1326 C ILE A 84 123.593 -8.754 5.470 1.00 0.00 C ATOM 1327 O ILE A 84 123.955 -8.615 6.610 1.00 0.00 O ATOM 1328 CB ILE A 84 122.951 -6.840 3.919 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.521 -5.847 2.902 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.422 -6.065 5.124 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.375 -5.085 2.238 1.00 0.00 C ATOM 0 H ILE A 84 123.768 -8.451 2.342 1.00 0.00 H new ATOM 0 HA ILE A 84 124.908 -7.246 4.749 1.00 0.00 H new ATOM 0 HB ILE A 84 122.139 -7.412 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.197 -5.150 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.105 -6.376 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.637 -5.382 4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.017 -6.763 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.234 -5.496 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.780 -4.378 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.717 -5.789 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.810 -4.544 2.997 1.00 0.00 H new ATOM 1343 N ASN A 85 122.761 -9.699 5.153 1.00 0.00 N ATOM 1344 CA ASN A 85 122.249 -10.625 6.206 1.00 0.00 C ATOM 1345 C ASN A 85 123.382 -11.454 6.824 1.00 0.00 C ATOM 1346 O ASN A 85 123.375 -11.731 8.007 1.00 0.00 O ATOM 1347 CB ASN A 85 121.250 -11.531 5.486 1.00 0.00 C ATOM 1348 CG ASN A 85 120.711 -12.583 6.457 1.00 0.00 C ATOM 1349 OD1 ASN A 85 121.112 -13.729 6.413 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.813 -12.240 7.340 1.00 0.00 N ATOM 0 H ASN A 85 122.410 -9.875 4.212 1.00 0.00 H new ATOM 0 HA ASN A 85 121.792 -10.078 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 85 120.428 -10.937 5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.732 -12.018 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 85 119.448 -12.934 7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.476 -11.278 7.377 1.00 0.00 H new ATOM 1357 N ASP A 86 124.347 -11.861 6.048 1.00 0.00 N ATOM 1358 CA ASP A 86 125.462 -12.679 6.610 1.00 0.00 C ATOM 1359 C ASP A 86 126.429 -11.839 7.448 1.00 0.00 C ATOM 1360 O ASP A 86 127.162 -12.367 8.262 1.00 0.00 O ATOM 1361 CB ASP A 86 126.179 -13.240 5.381 1.00 0.00 C ATOM 1362 CG ASP A 86 125.296 -14.302 4.707 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.263 -14.641 5.267 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.666 -14.756 3.639 1.00 0.00 O ATOM 0 H ASP A 86 124.414 -11.664 5.049 1.00 0.00 H new ATOM 0 HA ASP A 86 125.087 -13.453 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.399 -12.437 4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.133 -13.678 5.673 1.00 0.00 H new ATOM 1369 N VAL A 87 126.457 -10.543 7.256 1.00 0.00 N ATOM 1370 CA VAL A 87 127.408 -9.713 8.060 1.00 0.00 C ATOM 1371 C VAL A 87 126.684 -8.918 9.153 1.00 0.00 C ATOM 1372 O VAL A 87 127.309 -8.437 10.082 1.00 0.00 O ATOM 1373 CB VAL A 87 128.082 -8.768 7.063 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.817 -9.586 6.000 1.00 0.00 C ATOM 1375 CG2 VAL A 87 127.032 -7.882 6.395 1.00 0.00 C ATOM 0 H VAL A 87 125.876 -10.032 6.592 1.00 0.00 H new ATOM 0 HA VAL A 87 128.132 -10.344 8.576 1.00 0.00 H new ATOM 0 HB VAL A 87 128.796 -8.137 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.297 -8.912 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.574 -10.208 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 87 128.105 -10.221 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.519 -7.212 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.311 -8.507 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.516 -7.294 7.154 1.00 0.00 H new ATOM 1385 N VAL A 88 125.391 -8.737 9.053 1.00 0.00 N ATOM 1386 CA VAL A 88 124.689 -7.928 10.103 1.00 0.00 C ATOM 1387 C VAL A 88 123.615 -8.752 10.821 1.00 0.00 C ATOM 1388 O VAL A 88 123.179 -9.779 10.338 1.00 0.00 O ATOM 1389 CB VAL A 88 124.082 -6.707 9.369 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.142 -6.081 8.450 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.870 -7.135 8.536 1.00 0.00 C ATOM 0 H VAL A 88 124.799 -9.104 8.308 1.00 0.00 H new ATOM 0 HA VAL A 88 125.380 -7.609 10.883 1.00 0.00 H new ATOM 0 HB VAL A 88 123.760 -5.975 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.714 -5.222 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.995 -5.758 9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.470 -6.818 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.454 -6.266 8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.179 -7.876 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.114 -7.568 9.190 1.00 0.00 H new ATOM 1401 N SER A 89 123.219 -8.321 11.979 1.00 0.00 N ATOM 1402 CA SER A 89 122.209 -9.086 12.759 1.00 0.00 C ATOM 1403 C SER A 89 120.844 -8.394 12.764 1.00 0.00 C ATOM 1404 O SER A 89 120.674 -7.307 12.244 1.00 0.00 O ATOM 1405 CB SER A 89 122.780 -9.132 14.174 1.00 0.00 C ATOM 1406 OG SER A 89 123.936 -9.959 14.188 1.00 0.00 O ATOM 0 H SER A 89 123.552 -7.466 12.425 1.00 0.00 H new ATOM 0 HA SER A 89 122.039 -10.074 12.331 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.034 -8.126 14.509 1.00 0.00 H new ATOM 0 HB3 SER A 89 122.033 -9.519 14.867 1.00 0.00 H new ATOM 0 HG SER A 89 124.306 -9.989 15.095 1.00 0.00 H new ATOM 1412 N ASP A 90 119.871 -9.024 13.369 1.00 0.00 N ATOM 1413 CA ASP A 90 118.511 -8.421 13.434 1.00 0.00 C ATOM 1414 C ASP A 90 118.575 -7.103 14.199 1.00 0.00 C ATOM 1415 O ASP A 90 117.907 -6.146 13.863 1.00 0.00 O ATOM 1416 CB ASP A 90 117.661 -9.444 14.187 1.00 0.00 C ATOM 1417 CG ASP A 90 117.136 -10.507 13.212 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.339 -10.352 12.018 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 116.538 -11.462 13.680 1.00 0.00 O ATOM 0 H ASP A 90 119.962 -9.933 13.822 1.00 0.00 H new ATOM 0 HA ASP A 90 118.098 -8.203 12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.254 -9.917 14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.826 -8.945 14.678 1.00 0.00 H new ATOM 1424 N ASP A 91 119.388 -7.037 15.217 1.00 0.00 N ATOM 1425 CA ASP A 91 119.501 -5.765 15.981 1.00 0.00 C ATOM 1426 C ASP A 91 120.025 -4.675 15.052 1.00 0.00 C ATOM 1427 O ASP A 91 119.585 -3.544 15.093 1.00 0.00 O ATOM 1428 CB ASP A 91 120.498 -6.043 17.107 1.00 0.00 C ATOM 1429 CG ASP A 91 119.773 -6.677 18.301 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.556 -6.782 18.256 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.449 -7.041 19.248 1.00 0.00 O1- ATOM 0 H ASP A 91 119.974 -7.802 15.550 1.00 0.00 H new ATOM 0 HA ASP A 91 118.545 -5.430 16.383 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.284 -6.709 16.752 1.00 0.00 H new ATOM 0 HB3 ASP A 91 120.981 -5.115 17.414 1.00 0.00 H new ATOM 1436 N PHE A 92 120.937 -5.021 14.187 1.00 0.00 N ATOM 1437 CA PHE A 92 121.463 -4.018 13.223 1.00 0.00 C ATOM 1438 C PHE A 92 120.333 -3.565 12.295 1.00 0.00 C ATOM 1439 O PHE A 92 120.346 -2.473 11.765 1.00 0.00 O ATOM 1440 CB PHE A 92 122.574 -4.732 12.450 1.00 0.00 C ATOM 1441 CG PHE A 92 123.086 -3.836 11.348 1.00 0.00 C ATOM 1442 CD1 PHE A 92 122.486 -3.874 10.083 1.00 0.00 C ATOM 1443 CD2 PHE A 92 124.161 -2.974 11.586 1.00 0.00 C ATOM 1444 CE1 PHE A 92 122.960 -3.048 9.057 1.00 0.00 C ATOM 1445 CE2 PHE A 92 124.636 -2.147 10.560 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.037 -2.184 9.296 1.00 0.00 C ATOM 0 H PHE A 92 121.340 -5.955 14.107 1.00 0.00 H new ATOM 0 HA PHE A 92 121.850 -3.124 13.713 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.388 -4.995 13.125 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.196 -5.663 12.028 1.00 0.00 H new ATOM 0 HD1 PHE A 92 121.657 -4.541 9.899 1.00 0.00 H new ATOM 0 HD2 PHE A 92 124.625 -2.946 12.561 1.00 0.00 H new ATOM 0 HE1 PHE A 92 122.496 -3.077 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 92 125.465 -1.480 10.745 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.405 -1.547 8.505 1.00 0.00 H new ATOM 1456 N TRP A 93 119.356 -4.408 12.096 1.00 0.00 N ATOM 1457 CA TRP A 93 118.215 -4.049 11.203 1.00 0.00 C ATOM 1458 C TRP A 93 117.129 -3.302 11.976 1.00 0.00 C ATOM 1459 O TRP A 93 116.329 -2.573 11.420 1.00 0.00 O ATOM 1460 CB TRP A 93 117.674 -5.390 10.722 1.00 0.00 C ATOM 1461 CG TRP A 93 118.291 -5.734 9.410 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.587 -6.066 9.228 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.663 -5.790 8.102 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.796 -6.325 7.887 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.638 -6.166 7.149 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.353 -5.552 7.657 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.320 -6.300 5.796 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.031 -5.686 6.302 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.009 -6.058 5.374 1.00 0.00 C ATOM 0 H TRP A 93 119.298 -5.336 12.516 1.00 0.00 H new ATOM 0 HA TRP A 93 118.527 -3.396 10.388 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.895 -6.167 11.454 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.589 -5.343 10.624 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.337 -6.120 10.003 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.695 -6.600 7.490 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.590 -5.264 8.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.079 -6.588 5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.020 -5.501 5.970 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.751 -6.158 4.330 1.00 0.00 H new ATOM 1480 N ASP A 94 117.063 -3.531 13.252 1.00 0.00 N ATOM 1481 CA ASP A 94 115.991 -2.903 14.071 1.00 0.00 C ATOM 1482 C ASP A 94 116.009 -1.374 13.953 1.00 0.00 C ATOM 1483 O ASP A 94 114.962 -0.752 13.948 1.00 0.00 O ATOM 1484 CB ASP A 94 116.289 -3.345 15.506 1.00 0.00 C ATOM 1485 CG ASP A 94 115.668 -4.726 15.758 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.854 -5.151 14.954 1.00 0.00 O ATOM 1487 OD2 ASP A 94 116.023 -5.338 16.753 1.00 0.00 O1- ATOM 0 H ASP A 94 117.708 -4.129 13.769 1.00 0.00 H new ATOM 0 HA ASP A 94 114.999 -3.209 13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.366 -3.384 15.669 1.00 0.00 H new ATOM 0 HB3 ASP A 94 115.886 -2.619 16.212 1.00 0.00 H new ATOM 1492 N THR A 95 117.160 -0.751 13.866 1.00 0.00 N ATOM 1493 CA THR A 95 117.165 0.739 13.763 1.00 0.00 C ATOM 1494 C THR A 95 116.488 1.151 12.448 1.00 0.00 C ATOM 1495 O THR A 95 115.837 2.172 12.346 1.00 0.00 O ATOM 1496 CB THR A 95 118.640 1.148 13.794 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.285 0.495 14.878 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.763 2.663 13.959 1.00 0.00 C ATOM 0 H THR A 95 118.076 -1.199 13.862 1.00 0.00 H new ATOM 0 HA THR A 95 116.618 1.226 14.571 1.00 0.00 H new ATOM 0 HB THR A 95 119.113 0.857 12.856 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.230 0.753 14.900 1.00 0.00 H new ATOM 0 HG21 THR A 95 119.816 2.942 13.980 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.272 3.161 13.123 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.289 2.967 14.892 1.00 0.00 H new ATOM 1506 N THR A 96 116.666 0.333 11.444 1.00 0.00 N ATOM 1507 CA THR A 96 116.076 0.599 10.092 1.00 0.00 C ATOM 1508 C THR A 96 114.553 0.688 10.157 1.00 0.00 C ATOM 1509 O THR A 96 113.932 1.610 9.659 1.00 0.00 O ATOM 1510 CB THR A 96 116.432 -0.661 9.297 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.795 -0.999 9.533 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.213 -0.400 7.807 1.00 0.00 C ATOM 0 H THR A 96 117.208 -0.529 11.503 1.00 0.00 H new ATOM 0 HA THR A 96 116.445 1.534 9.670 1.00 0.00 H new ATOM 0 HB THR A 96 115.796 -1.488 9.614 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.070 -1.704 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.466 -1.296 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.168 -0.143 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.848 0.425 7.485 1.00 0.00 H new ATOM 1520 N ARG A 97 113.960 -0.294 10.780 1.00 0.00 N ATOM 1521 CA ARG A 97 112.477 -0.340 10.912 1.00 0.00 C ATOM 1522 C ARG A 97 111.955 0.785 11.796 1.00 0.00 C ATOM 1523 O ARG A 97 110.918 1.349 11.522 1.00 0.00 O ATOM 1524 CB ARG A 97 112.188 -1.691 11.560 1.00 0.00 C ATOM 1525 CG ARG A 97 112.431 -2.803 10.542 1.00 0.00 C ATOM 1526 CD ARG A 97 112.251 -4.162 11.215 1.00 0.00 C ATOM 1527 NE ARG A 97 112.459 -5.152 10.124 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.643 -6.410 10.410 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.792 -7.040 11.173 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 113.684 -7.038 9.934 1.00 0.00 N ATOM 0 H ARG A 97 114.450 -1.079 11.210 1.00 0.00 H new ATOM 0 HA ARG A 97 111.988 -0.218 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.828 -1.834 12.431 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.157 -1.725 11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.736 -2.704 9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.437 -2.720 10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.971 -4.304 12.021 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.258 -4.259 11.654 1.00 0.00 H new ATOM 0 HE ARG A 97 112.458 -4.846 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.981 -6.548 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.938 -8.025 11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.350 -6.544 9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 97 113.831 -8.023 10.156 1.00 0.00 H new ATOM 1544 N ASN A 98 112.644 1.117 12.854 1.00 0.00 N ATOM 1545 CA ASN A 98 112.136 2.207 13.732 1.00 0.00 C ATOM 1546 C ASN A 98 112.109 3.536 12.973 1.00 0.00 C ATOM 1547 O ASN A 98 111.141 4.265 13.040 1.00 0.00 O ATOM 1548 CB ASN A 98 113.091 2.261 14.919 1.00 0.00 C ATOM 1549 CG ASN A 98 112.746 1.140 15.901 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.647 0.623 15.887 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.644 0.741 16.761 1.00 0.00 N ATOM 0 H ASN A 98 113.523 0.688 13.145 1.00 0.00 H new ATOM 0 HA ASN A 98 111.114 2.022 14.062 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.120 2.155 14.577 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.018 3.229 15.415 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.422 -0.005 17.421 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.567 1.175 16.773 1.00 0.00 H new ATOM 1558 N ALA A 99 113.141 3.868 12.248 1.00 0.00 N ATOM 1559 CA ALA A 99 113.123 5.162 11.505 1.00 0.00 C ATOM 1560 C ALA A 99 111.941 5.204 10.529 1.00 0.00 C ATOM 1561 O ALA A 99 111.163 6.138 10.526 1.00 0.00 O ATOM 1562 CB ALA A 99 114.448 5.205 10.749 1.00 0.00 C ATOM 0 H ALA A 99 113.987 3.308 12.137 1.00 0.00 H new ATOM 0 HA ALA A 99 113.008 6.016 12.172 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.510 6.130 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.274 5.162 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.508 4.354 10.071 1.00 0.00 H new ATOM 1568 N ILE A 100 111.782 4.195 9.713 1.00 0.00 N ATOM 1569 CA ILE A 100 110.631 4.190 8.761 1.00 0.00 C ATOM 1570 C ILE A 100 109.308 4.051 9.530 1.00 0.00 C ATOM 1571 O ILE A 100 108.328 4.696 9.224 1.00 0.00 O ATOM 1572 CB ILE A 100 110.863 2.987 7.837 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.097 3.242 6.964 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.647 2.806 6.920 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.551 1.929 6.322 1.00 0.00 C ATOM 0 H ILE A 100 112.394 3.380 9.664 1.00 0.00 H new ATOM 0 HA ILE A 100 110.566 5.117 8.191 1.00 0.00 H new ATOM 0 HB ILE A 100 111.012 2.094 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 100 111.863 3.975 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 100 112.902 3.661 7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 100 109.811 1.952 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.757 2.633 7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.508 3.704 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.428 2.112 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.801 1.210 7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.747 1.529 5.704 1.00 0.00 H new ATOM 1587 N GLN A 101 109.278 3.184 10.511 1.00 0.00 N ATOM 1588 CA GLN A 101 108.025 2.961 11.297 1.00 0.00 C ATOM 1589 C GLN A 101 107.601 4.239 12.035 1.00 0.00 C ATOM 1590 O GLN A 101 106.447 4.615 12.022 1.00 0.00 O ATOM 1591 CB GLN A 101 108.382 1.861 12.301 1.00 0.00 C ATOM 1592 CG GLN A 101 107.129 1.433 13.069 1.00 0.00 C ATOM 1593 CD GLN A 101 107.490 0.326 14.065 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.486 0.414 14.754 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.716 -0.722 14.169 1.00 0.00 N ATOM 0 H GLN A 101 110.074 2.617 10.803 1.00 0.00 H new ATOM 0 HA GLN A 101 107.189 2.684 10.655 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.810 1.005 11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.140 2.222 12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.704 2.287 13.597 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.368 1.077 12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.879 -0.797 13.591 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.949 -1.465 14.828 1.00 0.00 H new ATOM 1604 N LEU A 102 108.514 4.896 12.694 1.00 0.00 N ATOM 1605 CA LEU A 102 108.145 6.134 13.448 1.00 0.00 C ATOM 1606 C LEU A 102 107.643 7.244 12.520 1.00 0.00 C ATOM 1607 O LEU A 102 106.669 7.918 12.822 1.00 0.00 O ATOM 1608 CB LEU A 102 109.429 6.570 14.164 1.00 0.00 C ATOM 1609 CG LEU A 102 109.518 5.909 15.552 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.420 6.480 16.454 1.00 0.00 C ATOM 1611 CD2 LEU A 102 109.340 4.388 15.445 1.00 0.00 C ATOM 0 H LEU A 102 109.498 4.633 12.745 1.00 0.00 H new ATOM 0 HA LEU A 102 107.328 5.938 14.143 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.298 6.295 13.566 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.445 7.655 14.269 1.00 0.00 H new ATOM 0 HG LEU A 102 110.501 6.117 15.974 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.479 6.015 17.438 1.00 0.00 H new ATOM 0 HD12 LEU A 102 108.554 7.557 16.553 1.00 0.00 H new ATOM 0 HD13 LEU A 102 107.444 6.275 16.014 1.00 0.00 H new ATOM 0 HD21 LEU A 102 109.407 3.943 16.438 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.365 4.165 15.012 1.00 0.00 H new ATOM 0 HD23 LEU A 102 110.122 3.974 14.809 1.00 0.00 H new ATOM 1623 N GLN A 103 108.274 7.432 11.387 1.00 0.00 N ATOM 1624 CA GLN A 103 107.778 8.504 10.473 1.00 0.00 C ATOM 1625 C GLN A 103 106.458 8.041 9.848 1.00 0.00 C ATOM 1626 O GLN A 103 105.521 8.800 9.717 1.00 0.00 O ATOM 1627 CB GLN A 103 108.858 8.732 9.419 1.00 0.00 C ATOM 1628 CG GLN A 103 110.117 9.310 10.068 1.00 0.00 C ATOM 1629 CD GLN A 103 109.796 10.665 10.703 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.146 11.496 10.100 1.00 0.00 O ATOM 1631 NE2 GLN A 103 110.240 10.928 11.902 1.00 0.00 N ATOM 0 H GLN A 103 109.086 6.907 11.063 1.00 0.00 H new ATOM 0 HA GLN A 103 107.586 9.441 10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.095 7.791 8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.490 9.414 8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.495 8.623 10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 103 110.903 9.425 9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.786 10.230 12.408 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.041 11.831 12.333 1.00 0.00 H new ATOM 1640 N PHE A 104 106.379 6.787 9.487 1.00 0.00 N ATOM 1641 CA PHE A 104 105.116 6.263 8.892 1.00 0.00 C ATOM 1642 C PHE A 104 103.964 6.447 9.879 1.00 0.00 C ATOM 1643 O PHE A 104 102.865 6.806 9.506 1.00 0.00 O ATOM 1644 CB PHE A 104 105.364 4.772 8.651 1.00 0.00 C ATOM 1645 CG PHE A 104 105.749 4.558 7.207 1.00 0.00 C ATOM 1646 CD1 PHE A 104 106.935 5.109 6.708 1.00 0.00 C ATOM 1647 CD2 PHE A 104 104.914 3.812 6.363 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.288 4.915 5.367 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.267 3.619 5.021 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.454 4.170 4.524 1.00 0.00 C ATOM 0 H PHE A 104 107.132 6.105 9.578 1.00 0.00 H new ATOM 0 HA PHE A 104 104.851 6.784 7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.156 4.412 9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.468 4.199 8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.578 5.684 7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 104 103.999 3.386 6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.204 5.340 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.624 3.045 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 104 106.727 4.020 3.490 1.00 0.00 H new ATOM 1660 N LYS A 105 104.207 6.202 11.140 1.00 0.00 N ATOM 1661 CA LYS A 105 103.122 6.363 12.148 1.00 0.00 C ATOM 1662 C LYS A 105 102.642 7.817 12.208 1.00 0.00 C ATOM 1663 O LYS A 105 101.470 8.073 12.400 1.00 0.00 O ATOM 1664 CB LYS A 105 103.714 5.917 13.487 1.00 0.00 C ATOM 1665 CG LYS A 105 103.759 4.386 13.538 1.00 0.00 C ATOM 1666 CD LYS A 105 104.344 3.932 14.879 1.00 0.00 C ATOM 1667 CE LYS A 105 104.283 2.404 14.976 1.00 0.00 C ATOM 1668 NZ LYS A 105 104.906 2.076 16.290 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.107 5.899 11.513 1.00 0.00 H new ATOM 0 HA LYS A 105 102.248 5.765 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.717 6.326 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 105 103.112 6.302 14.310 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.756 3.978 13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 105 104.365 4.003 12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 105 105.376 4.271 14.971 1.00 0.00 H new ATOM 0 HD3 LYS A 105 103.787 4.381 15.701 1.00 0.00 H new ATOM 0 HE2 LYS A 105 103.255 2.046 14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 105 104.824 1.934 14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 104.901 1.045 16.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 105.886 2.423 16.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.366 2.531 17.053 1.00 0.00 H new ATOM 1682 N GLN A 106 103.513 8.781 12.020 1.00 0.00 N ATOM 1683 CA GLN A 106 103.052 10.203 12.044 1.00 0.00 C ATOM 1684 C GLN A 106 102.494 10.606 10.671 1.00 0.00 C ATOM 1685 O GLN A 106 101.779 11.580 10.548 1.00 0.00 O ATOM 1686 CB GLN A 106 104.298 11.023 12.381 1.00 0.00 C ATOM 1687 CG GLN A 106 104.716 10.729 13.824 1.00 0.00 C ATOM 1688 CD GLN A 106 105.974 11.526 14.176 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.426 12.348 13.403 1.00 0.00 O ATOM 1690 NE2 GLN A 106 106.562 11.313 15.322 1.00 0.00 N ATOM 0 H GLN A 106 104.510 8.646 11.853 1.00 0.00 H new ATOM 0 HA GLN A 106 102.254 10.363 12.769 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.109 10.774 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.093 12.086 12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 106 103.907 10.990 14.506 1.00 0.00 H new ATOM 0 HG3 GLN A 106 104.905 9.663 13.947 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.182 10.623 15.970 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.402 11.837 15.570 1.00 0.00 H new ATOM 1699 N GLY A 107 102.798 9.860 9.640 1.00 0.00 N ATOM 1700 CA GLY A 107 102.258 10.207 8.289 1.00 0.00 C ATOM 1701 C GLY A 107 103.358 10.779 7.382 1.00 0.00 C ATOM 1702 O GLY A 107 103.079 11.305 6.321 1.00 0.00 O ATOM 0 H GLY A 107 103.392 9.032 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.828 9.318 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.453 10.935 8.392 1.00 0.00 H new ATOM 1706 N ASN A 108 104.598 10.683 7.776 1.00 0.00 N ATOM 1707 CA ASN A 108 105.696 11.223 6.917 1.00 0.00 C ATOM 1708 C ASN A 108 106.493 10.077 6.283 1.00 0.00 C ATOM 1709 O ASN A 108 107.530 9.680 6.757 1.00 0.00 O ATOM 1710 CB ASN A 108 106.578 12.045 7.857 1.00 0.00 C ATOM 1711 CG ASN A 108 105.807 13.276 8.335 1.00 0.00 C ATOM 1712 OD1 ASN A 108 105.620 13.470 9.520 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.352 14.123 7.454 1.00 0.00 N ATOM 0 H ASN A 108 104.900 10.256 8.652 1.00 0.00 H new ATOM 0 HA ASN A 108 105.312 11.828 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.881 11.439 8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.489 12.351 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 108 104.838 14.950 7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 108 105.510 13.959 6.460 1.00 0.00 H new ATOM 1720 N PHE A 109 106.005 9.552 5.203 1.00 0.00 N ATOM 1721 CA PHE A 109 106.711 8.425 4.510 1.00 0.00 C ATOM 1722 C PHE A 109 108.088 8.862 4.017 1.00 0.00 C ATOM 1723 O PHE A 109 109.053 8.134 4.129 1.00 0.00 O ATOM 1724 CB PHE A 109 105.840 8.070 3.289 1.00 0.00 C ATOM 1725 CG PHE A 109 104.377 7.927 3.673 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.014 7.429 4.933 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.393 8.318 2.767 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.669 7.323 5.282 1.00 0.00 C ATOM 1729 CE2 PHE A 109 102.043 8.213 3.117 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.680 7.716 4.373 1.00 0.00 C ATOM 0 H PHE A 109 105.138 9.852 4.758 1.00 0.00 H new ATOM 0 HA PHE A 109 106.850 7.584 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.944 8.844 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.194 7.139 2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.778 7.127 5.634 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.672 8.701 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.390 6.938 6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.279 8.516 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.637 7.636 4.641 1.00 0.00 H new ATOM 1740 N LYS A 110 108.185 10.027 3.435 1.00 0.00 N ATOM 1741 CA LYS A 110 109.504 10.470 2.901 1.00 0.00 C ATOM 1742 C LYS A 110 110.552 10.574 4.013 1.00 0.00 C ATOM 1743 O LYS A 110 111.663 10.103 3.865 1.00 0.00 O ATOM 1744 CB LYS A 110 109.248 11.839 2.269 1.00 0.00 C ATOM 1745 CG LYS A 110 110.551 12.380 1.686 1.00 0.00 C ATOM 1746 CD LYS A 110 110.315 13.778 1.114 1.00 0.00 C ATOM 1747 CE LYS A 110 111.618 14.313 0.518 1.00 0.00 C ATOM 1748 NZ LYS A 110 112.569 14.361 1.663 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.416 10.685 3.307 1.00 0.00 H new ATOM 0 HA LYS A 110 109.900 9.755 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.494 11.755 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.857 12.529 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.319 12.417 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.916 11.713 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.540 13.743 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.959 14.447 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 110 111.987 13.662 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.476 15.301 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 113.283 15.097 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 112.050 14.581 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 113.039 13.439 1.763 1.00 0.00 H new ATOM 1762 N GLN A 111 110.230 11.203 5.111 1.00 0.00 N ATOM 1763 CA GLN A 111 111.245 11.340 6.198 1.00 0.00 C ATOM 1764 C GLN A 111 111.627 9.967 6.764 1.00 0.00 C ATOM 1765 O GLN A 111 112.774 9.726 7.085 1.00 0.00 O ATOM 1766 CB GLN A 111 110.596 12.220 7.266 1.00 0.00 C ATOM 1767 CG GLN A 111 110.471 13.652 6.744 1.00 0.00 C ATOM 1768 CD GLN A 111 109.736 14.509 7.777 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.458 14.058 8.870 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.404 15.734 7.472 1.00 0.00 N ATOM 0 H GLN A 111 109.321 11.623 5.303 1.00 0.00 H new ATOM 0 HA GLN A 111 112.170 11.785 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.612 11.829 7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.194 12.205 8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.460 14.067 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.930 13.660 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.638 16.112 6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.911 16.313 8.152 1.00 0.00 H new ATOM 1779 N GLY A 112 110.693 9.062 6.892 1.00 0.00 N ATOM 1780 CA GLY A 112 111.042 7.718 7.440 1.00 0.00 C ATOM 1781 C GLY A 112 112.039 7.024 6.514 1.00 0.00 C ATOM 1782 O GLY A 112 113.052 6.510 6.948 1.00 0.00 O ATOM 0 H GLY A 112 109.712 9.193 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.470 7.822 8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 112 110.142 7.111 7.540 1.00 0.00 H new ATOM 1786 N LEU A 113 111.760 6.998 5.241 1.00 0.00 N ATOM 1787 CA LEU A 113 112.689 6.327 4.287 1.00 0.00 C ATOM 1788 C LEU A 113 114.056 7.016 4.279 1.00 0.00 C ATOM 1789 O LEU A 113 115.079 6.369 4.283 1.00 0.00 O ATOM 1790 CB LEU A 113 112.018 6.470 2.919 1.00 0.00 C ATOM 1791 CG LEU A 113 110.784 5.569 2.846 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.972 5.926 1.599 1.00 0.00 C ATOM 1793 CD2 LEU A 113 111.226 4.105 2.758 1.00 0.00 C ATOM 0 H LEU A 113 110.929 7.412 4.819 1.00 0.00 H new ATOM 0 HA LEU A 113 112.866 5.286 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.731 7.508 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.721 6.203 2.130 1.00 0.00 H new ATOM 0 HG LEU A 113 110.174 5.713 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 113 109.091 5.286 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.660 6.969 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.586 5.778 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.347 3.462 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.834 3.962 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.812 3.848 3.641 1.00 0.00 H new ATOM 1805 N VAL A 114 114.088 8.321 4.258 1.00 0.00 N ATOM 1806 CA VAL A 114 115.408 9.019 4.237 1.00 0.00 C ATOM 1807 C VAL A 114 116.163 8.770 5.548 1.00 0.00 C ATOM 1808 O VAL A 114 117.338 8.457 5.539 1.00 0.00 O ATOM 1809 CB VAL A 114 115.080 10.500 4.038 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.351 11.343 4.193 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.510 10.701 2.633 1.00 0.00 C ATOM 0 H VAL A 114 113.269 8.929 4.254 1.00 0.00 H new ATOM 0 HA VAL A 114 116.059 8.655 3.442 1.00 0.00 H new ATOM 0 HB VAL A 114 114.351 10.812 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 114 116.109 12.396 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.764 11.198 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 114 117.085 11.035 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 114 114.274 11.755 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 114 115.246 10.386 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.604 10.106 2.520 1.00 0.00 H new ATOM 1821 N ASP A 115 115.511 8.913 6.670 1.00 0.00 N ATOM 1822 CA ASP A 115 116.223 8.680 7.958 1.00 0.00 C ATOM 1823 C ASP A 115 116.635 7.211 8.056 1.00 0.00 C ATOM 1824 O ASP A 115 117.718 6.896 8.503 1.00 0.00 O ATOM 1825 CB ASP A 115 115.229 9.066 9.056 1.00 0.00 C ATOM 1826 CG ASP A 115 115.306 10.579 9.313 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.177 11.223 8.745 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 114.493 11.069 10.077 1.00 0.00 O ATOM 0 H ASP A 115 114.529 9.178 6.751 1.00 0.00 H new ATOM 0 HA ASP A 115 117.136 9.268 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.218 8.789 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.453 8.520 9.972 1.00 0.00 H new ATOM 1833 N GLY A 116 115.791 6.307 7.635 1.00 0.00 N ATOM 1834 CA GLY A 116 116.161 4.867 7.707 1.00 0.00 C ATOM 1835 C GLY A 116 117.330 4.595 6.760 1.00 0.00 C ATOM 1836 O GLY A 116 118.273 3.911 7.104 1.00 0.00 O ATOM 0 H GLY A 116 114.868 6.503 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.436 4.602 8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.307 4.247 7.436 1.00 0.00 H new ATOM 1840 N ILE A 117 117.280 5.132 5.569 1.00 0.00 N ATOM 1841 CA ILE A 117 118.398 4.908 4.609 1.00 0.00 C ATOM 1842 C ILE A 117 119.677 5.548 5.160 1.00 0.00 C ATOM 1843 O ILE A 117 120.737 4.957 5.123 1.00 0.00 O ATOM 1844 CB ILE A 117 117.949 5.583 3.310 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.756 4.816 2.730 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.095 5.554 2.296 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.067 5.670 1.662 1.00 0.00 C ATOM 0 H ILE A 117 116.517 5.713 5.222 1.00 0.00 H new ATOM 0 HA ILE A 117 118.616 3.853 4.447 1.00 0.00 H new ATOM 0 HB ILE A 117 117.666 6.615 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.092 3.874 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.050 4.568 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.775 6.035 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.955 6.086 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.373 4.520 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.219 5.123 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.717 6.600 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.775 5.896 0.864 1.00 0.00 H new ATOM 1859 N GLU A 118 119.591 6.750 5.675 1.00 0.00 N ATOM 1860 CA GLU A 118 120.812 7.410 6.228 1.00 0.00 C ATOM 1861 C GLU A 118 121.400 6.548 7.348 1.00 0.00 C ATOM 1862 O GLU A 118 122.581 6.261 7.366 1.00 0.00 O ATOM 1863 CB GLU A 118 120.322 8.756 6.769 1.00 0.00 C ATOM 1864 CG GLU A 118 121.500 9.544 7.355 1.00 0.00 C ATOM 1865 CD GLU A 118 121.010 10.906 7.865 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.897 11.280 7.532 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.760 11.553 8.576 1.00 0.00 O1- ATOM 0 H GLU A 118 118.733 7.299 5.736 1.00 0.00 H new ATOM 0 HA GLU A 118 121.597 7.541 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.851 9.329 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.564 8.595 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.956 8.982 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.269 9.685 6.596 1.00 0.00 H new ATOM 1874 N LYS A 119 120.586 6.122 8.276 1.00 0.00 N ATOM 1875 CA LYS A 119 121.109 5.265 9.380 1.00 0.00 C ATOM 1876 C LYS A 119 121.657 3.959 8.796 1.00 0.00 C ATOM 1877 O LYS A 119 122.705 3.486 9.190 1.00 0.00 O ATOM 1878 CB LYS A 119 119.921 5.000 10.306 1.00 0.00 C ATOM 1879 CG LYS A 119 119.534 6.294 11.026 1.00 0.00 C ATOM 1880 CD LYS A 119 118.351 6.030 11.962 1.00 0.00 C ATOM 1881 CE LYS A 119 117.993 7.317 12.710 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.827 6.954 13.565 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.588 6.328 8.318 1.00 0.00 H new ATOM 0 HA LYS A 119 121.923 5.743 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 119 119.075 4.625 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.178 4.230 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.383 6.673 11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.270 7.061 10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.492 5.679 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.604 5.243 12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.830 7.669 13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.740 8.119 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.523 7.786 14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 116.043 6.629 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 117.100 6.193 14.219 1.00 0.00 H new ATOM 1896 N ALA A 120 120.975 3.389 7.842 1.00 0.00 N ATOM 1897 CA ALA A 120 121.477 2.133 7.211 1.00 0.00 C ATOM 1898 C ALA A 120 122.875 2.360 6.628 1.00 0.00 C ATOM 1899 O ALA A 120 123.750 1.524 6.744 1.00 0.00 O ATOM 1900 CB ALA A 120 120.480 1.827 6.093 1.00 0.00 C ATOM 0 H ALA A 120 120.091 3.738 7.471 1.00 0.00 H new ATOM 0 HA ALA A 120 121.555 1.314 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.780 0.914 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.485 1.694 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.463 2.655 5.384 1.00 0.00 H new ATOM 1906 N GLY A 121 123.089 3.478 5.991 1.00 0.00 N ATOM 1907 CA GLY A 121 124.424 3.749 5.387 1.00 0.00 C ATOM 1908 C GLY A 121 125.498 3.858 6.475 1.00 0.00 C ATOM 1909 O GLY A 121 126.578 3.324 6.338 1.00 0.00 O ATOM 0 H GLY A 121 122.397 4.216 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.683 2.951 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.387 4.674 4.811 1.00 0.00 H new ATOM 1913 N MET A 122 125.219 4.543 7.554 1.00 0.00 N ATOM 1914 CA MET A 122 126.245 4.670 8.632 1.00 0.00 C ATOM 1915 C MET A 122 126.474 3.316 9.309 1.00 0.00 C ATOM 1916 O MET A 122 127.598 2.898 9.532 1.00 0.00 O ATOM 1917 CB MET A 122 125.659 5.683 9.618 1.00 0.00 C ATOM 1918 CG MET A 122 125.537 7.045 8.931 1.00 0.00 C ATOM 1919 SD MET A 122 124.715 8.216 10.043 1.00 0.00 S ATOM 1920 CE MET A 122 126.097 8.468 11.182 1.00 0.00 C ATOM 0 H MET A 122 124.334 5.016 7.735 1.00 0.00 H new ATOM 0 HA MET A 122 127.213 4.993 8.248 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.681 5.348 9.963 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.297 5.763 10.498 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.525 7.417 8.661 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.969 6.947 8.006 1.00 0.00 H new ATOM 0 HE1 MET A 122 126.296 9.535 11.282 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.845 8.053 12.158 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.984 7.968 10.794 1.00 0.00 H new ATOM 1930 N ALA A 123 125.418 2.616 9.627 1.00 0.00 N ATOM 1931 CA ALA A 123 125.592 1.289 10.278 1.00 0.00 C ATOM 1932 C ALA A 123 126.312 0.360 9.311 1.00 0.00 C ATOM 1933 O ALA A 123 127.257 -0.303 9.668 1.00 0.00 O ATOM 1934 CB ALA A 123 124.183 0.782 10.580 1.00 0.00 C ATOM 0 H ALA A 123 124.453 2.903 9.466 1.00 0.00 H new ATOM 0 HA ALA A 123 126.183 1.342 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.243 -0.194 11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.678 1.484 11.244 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.621 0.694 9.650 1.00 0.00 H new ATOM 1940 N LEU A 124 125.891 0.341 8.078 1.00 0.00 N ATOM 1941 CA LEU A 124 126.572 -0.515 7.073 1.00 0.00 C ATOM 1942 C LEU A 124 128.020 -0.051 6.937 1.00 0.00 C ATOM 1943 O LEU A 124 128.926 -0.849 6.819 1.00 0.00 O ATOM 1944 CB LEU A 124 125.811 -0.286 5.769 1.00 0.00 C ATOM 1945 CG LEU A 124 124.423 -0.919 5.866 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.553 -0.409 4.717 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.549 -2.441 5.765 1.00 0.00 C ATOM 0 H LEU A 124 125.103 0.883 7.724 1.00 0.00 H new ATOM 0 HA LEU A 124 126.580 -1.570 7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.721 0.782 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.362 -0.719 4.934 1.00 0.00 H new ATOM 0 HG LEU A 124 123.967 -0.652 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.562 -0.859 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.464 0.675 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 124 124.011 -0.680 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.560 -2.893 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 124 125.003 -2.706 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.174 -2.809 6.579 1.00 0.00 H new ATOM 1959 N ALA A 125 128.246 1.237 6.941 1.00 0.00 N ATOM 1960 CA ALA A 125 129.641 1.742 6.795 1.00 0.00 C ATOM 1961 C ALA A 125 130.554 1.094 7.836 1.00 0.00 C ATOM 1962 O ALA A 125 131.710 0.830 7.570 1.00 0.00 O ATOM 1963 CB ALA A 125 129.554 3.254 7.012 1.00 0.00 C ATOM 0 H ALA A 125 127.529 1.956 7.038 1.00 0.00 H new ATOM 0 HA ALA A 125 130.061 1.503 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.547 3.693 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.892 3.691 6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.160 3.457 8.008 1.00 0.00 H new ATOM 1969 N LYS A 126 130.052 0.815 9.013 1.00 0.00 N ATOM 1970 CA LYS A 126 130.920 0.165 10.036 1.00 0.00 C ATOM 1971 C LYS A 126 131.342 -1.219 9.538 1.00 0.00 C ATOM 1972 O LYS A 126 132.491 -1.603 9.621 1.00 0.00 O ATOM 1973 CB LYS A 126 130.056 0.020 11.285 1.00 0.00 C ATOM 1974 CG LYS A 126 130.923 -0.530 12.418 1.00 0.00 C ATOM 1975 CD LYS A 126 130.083 -0.680 13.687 1.00 0.00 C ATOM 1976 CE LYS A 126 130.962 -1.212 14.823 1.00 0.00 C ATOM 1977 NZ LYS A 126 130.038 -1.384 15.982 1.00 0.00 N1+ ATOM 0 H LYS A 126 129.094 1.006 9.305 1.00 0.00 H new ATOM 0 HA LYS A 126 131.820 0.746 10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.633 0.984 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.219 -0.650 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.342 -1.495 12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.763 0.140 12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.652 0.282 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 126 129.252 -1.361 13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 126 131.431 -2.157 14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.765 -0.514 15.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.570 -1.746 16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.612 -0.467 16.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 129.288 -2.059 15.731 1.00 0.00 H new ATOM 1991 N TYR A 127 130.407 -1.957 9.002 1.00 0.00 N ATOM 1992 CA TYR A 127 130.733 -3.312 8.474 1.00 0.00 C ATOM 1993 C TYR A 127 131.554 -3.180 7.191 1.00 0.00 C ATOM 1994 O TYR A 127 132.506 -3.901 6.971 1.00 0.00 O ATOM 1995 CB TYR A 127 129.387 -3.987 8.192 1.00 0.00 C ATOM 1996 CG TYR A 127 128.701 -4.324 9.497 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.886 -3.377 10.123 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.879 -5.585 10.079 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.248 -3.684 11.329 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.241 -5.895 11.286 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.425 -4.945 11.911 1.00 0.00 C ATOM 2002 OH TYR A 127 126.793 -5.248 13.099 1.00 0.00 O ATOM 0 H TYR A 127 129.430 -1.679 8.907 1.00 0.00 H new ATOM 0 HA TYR A 127 131.324 -3.897 9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.755 -3.326 7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.540 -4.893 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.748 -2.405 9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.508 -6.318 9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.620 -2.949 11.811 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.379 -6.868 11.735 1.00 0.00 H new ATOM 0 HH TYR A 127 127.020 -6.163 13.366 1.00 0.00 H new ATOM 2012 N PHE A 128 131.188 -2.254 6.344 1.00 0.00 N ATOM 2013 CA PHE A 128 131.938 -2.063 5.079 1.00 0.00 C ATOM 2014 C PHE A 128 132.283 -0.577 4.897 1.00 0.00 C ATOM 2015 O PHE A 128 131.468 0.192 4.430 1.00 0.00 O ATOM 2016 CB PHE A 128 131.002 -2.534 3.972 1.00 0.00 C ATOM 2017 CG PHE A 128 131.018 -4.042 3.902 1.00 0.00 C ATOM 2018 CD1 PHE A 128 132.001 -4.699 3.152 1.00 0.00 C ATOM 2019 CD2 PHE A 128 130.045 -4.782 4.582 1.00 0.00 C ATOM 2020 CE1 PHE A 128 132.011 -6.097 3.083 1.00 0.00 C ATOM 2021 CE2 PHE A 128 130.053 -6.181 4.512 1.00 0.00 C ATOM 2022 CZ PHE A 128 131.036 -6.838 3.762 1.00 0.00 C ATOM 0 H PHE A 128 130.399 -1.622 6.479 1.00 0.00 H new ATOM 0 HA PHE A 128 132.876 -2.618 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.989 -2.180 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.312 -2.112 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.752 -4.127 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 128 129.288 -4.275 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.770 -6.604 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 128 129.301 -6.753 5.036 1.00 0.00 H new ATOM 0 HZ PHE A 128 131.042 -7.917 3.707 1.00 0.00 H new ATOM 2032 N PRO A 129 133.495 -0.218 5.266 1.00 0.00 N ATOM 2033 CA PRO A 129 133.950 1.189 5.130 1.00 0.00 C ATOM 2034 C PRO A 129 134.035 1.590 3.656 1.00 0.00 C ATOM 2035 O PRO A 129 134.226 0.768 2.782 1.00 0.00 O ATOM 2036 CB PRO A 129 135.334 1.178 5.780 1.00 0.00 C ATOM 2037 CG PRO A 129 135.784 -0.240 5.675 1.00 0.00 C ATOM 2038 CD PRO A 129 134.550 -1.073 5.836 1.00 0.00 C ATOM 0 HA PRO A 129 133.272 1.906 5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 129 136.020 1.851 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.287 1.504 6.819 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.260 -0.429 4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.518 -0.475 6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.631 -2.021 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.356 -1.309 6.882 1.00 0.00 H new ATOM 2046 N TRP A 130 133.881 2.855 3.381 1.00 0.00 N ATOM 2047 CA TRP A 130 133.937 3.332 1.972 1.00 0.00 C ATOM 2048 C TRP A 130 135.381 3.387 1.478 1.00 0.00 C ATOM 2049 O TRP A 130 136.228 4.018 2.080 1.00 0.00 O ATOM 2050 CB TRP A 130 133.352 4.742 2.010 1.00 0.00 C ATOM 2051 CG TRP A 130 133.243 5.257 0.613 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.338 4.836 -0.303 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.051 6.273 -0.047 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.536 5.536 -1.479 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.581 6.433 -1.372 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.132 7.068 0.373 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.166 7.344 -2.251 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.724 7.986 -0.510 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.241 8.126 -1.818 1.00 0.00 C ATOM 0 H TRP A 130 133.718 3.583 4.076 1.00 0.00 H new ATOM 0 HA TRP A 130 133.392 2.669 1.300 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.371 4.731 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.987 5.398 2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.586 4.078 -0.141 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.978 5.406 -2.323 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.509 6.972 1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.791 7.445 -3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.557 8.588 -0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.698 8.837 -2.490 1.00 0.00 H new ATOM 2070 N LYS A 131 135.664 2.769 0.367 1.00 0.00 N ATOM 2071 CA LYS A 131 137.045 2.833 -0.175 1.00 0.00 C ATOM 2072 C LYS A 131 137.077 3.817 -1.342 1.00 0.00 C ATOM 2073 O LYS A 131 136.104 3.972 -2.054 1.00 0.00 O ATOM 2074 CB LYS A 131 137.379 1.423 -0.660 1.00 0.00 C ATOM 2075 CG LYS A 131 137.560 0.486 0.535 1.00 0.00 C ATOM 2076 CD LYS A 131 137.777 -0.942 0.025 1.00 0.00 C ATOM 2077 CE LYS A 131 139.062 -0.996 -0.807 1.00 0.00 C ATOM 2078 NZ LYS A 131 139.195 -2.420 -1.230 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.001 2.225 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 131 137.765 3.168 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.582 1.053 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.290 1.442 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.412 0.804 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.682 0.525 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.845 -1.633 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 131 136.926 -1.257 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 131 139.000 -0.333 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 131 139.924 -0.677 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 140.054 -2.533 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 139.259 -3.028 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.364 -2.694 -1.792 1.00 0.00 H new ATOM 2092 N LYS A 132 138.165 4.504 -1.527 1.00 0.00 N ATOM 2093 CA LYS A 132 138.222 5.499 -2.630 1.00 0.00 C ATOM 2094 C LYS A 132 137.912 4.824 -3.961 1.00 0.00 C ATOM 2095 O LYS A 132 137.400 5.443 -4.874 1.00 0.00 O ATOM 2096 CB LYS A 132 139.645 6.058 -2.617 1.00 0.00 C ATOM 2097 CG LYS A 132 139.855 6.881 -1.343 1.00 0.00 C ATOM 2098 CD LYS A 132 141.249 7.511 -1.368 1.00 0.00 C ATOM 2099 CE LYS A 132 141.447 8.366 -0.115 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.790 8.984 -0.283 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.013 4.421 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 132 137.488 6.294 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.368 5.244 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.812 6.680 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.094 7.658 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.747 6.245 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.010 6.732 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.366 8.124 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.670 9.126 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.402 7.759 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.000 9.587 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.509 8.237 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 142.801 9.561 -1.148 1.00 0.00 H new ATOM 2114 N ASP A 133 138.206 3.560 -4.083 1.00 0.00 N ATOM 2115 CA ASP A 133 137.912 2.867 -5.368 1.00 0.00 C ATOM 2116 C ASP A 133 136.537 2.183 -5.323 1.00 0.00 C ATOM 2117 O ASP A 133 136.169 1.462 -6.231 1.00 0.00 O ATOM 2118 CB ASP A 133 139.027 1.839 -5.542 1.00 0.00 C ATOM 2119 CG ASP A 133 139.055 0.896 -4.330 1.00 0.00 C ATOM 2120 OD1 ASP A 133 138.101 0.906 -3.565 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 140.029 0.178 -4.188 1.00 0.00 O ATOM 0 H ASP A 133 138.632 2.982 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 133 137.877 3.567 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.868 1.267 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 133 139.988 2.344 -5.645 1.00 0.00 H new ATOM 2126 N ASP A 134 135.776 2.405 -4.267 1.00 0.00 N ATOM 2127 CA ASP A 134 134.420 1.785 -4.137 1.00 0.00 C ATOM 2128 C ASP A 134 133.646 1.840 -5.456 1.00 0.00 C ATOM 2129 O ASP A 134 133.706 2.801 -6.189 1.00 0.00 O ATOM 2130 CB ASP A 134 133.702 2.660 -3.110 1.00 0.00 C ATOM 2131 CG ASP A 134 132.325 2.055 -2.794 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.937 1.108 -3.462 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.680 2.552 -1.886 1.00 0.00 O1- ATOM 0 H ASP A 134 136.047 2.998 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 134 134.491 0.735 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.297 2.733 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.586 3.672 -3.497 1.00 0.00 H new ATOM 2138 N ILE A 135 132.949 0.801 -5.761 1.00 0.00 N ATOM 2139 CA ILE A 135 132.185 0.744 -7.048 1.00 0.00 C ATOM 2140 C ILE A 135 130.673 0.679 -6.785 1.00 0.00 C ATOM 2141 O ILE A 135 130.221 0.119 -5.806 1.00 0.00 O ATOM 2142 CB ILE A 135 132.669 -0.531 -7.798 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.958 -1.713 -6.838 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.953 -0.192 -8.562 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.710 -2.053 -6.013 1.00 0.00 C ATOM 0 H ILE A 135 132.865 -0.030 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 135 132.362 1.639 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 135 131.871 -0.842 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.271 -2.586 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.782 -1.456 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.305 -1.077 -9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.751 0.605 -9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.718 0.137 -7.859 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.931 -2.885 -5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.415 -1.184 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.896 -2.332 -6.682 1.00 0.00 H new ATOM 2157 N ASP A 136 129.876 1.272 -7.633 1.00 0.00 N ATOM 2158 CA ASP A 136 128.402 1.234 -7.397 1.00 0.00 C ATOM 2159 C ASP A 136 127.733 0.215 -8.328 1.00 0.00 C ATOM 2160 O ASP A 136 127.458 0.485 -9.479 1.00 0.00 O ATOM 2161 CB ASP A 136 127.897 2.644 -7.696 1.00 0.00 C ATOM 2162 CG ASP A 136 126.416 2.753 -7.303 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.822 1.733 -6.979 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 125.896 3.855 -7.338 1.00 0.00 O ATOM 0 H ASP A 136 130.175 1.775 -8.468 1.00 0.00 H new ATOM 0 HA ASP A 136 128.168 0.932 -6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.485 3.377 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.020 2.869 -8.755 1.00 0.00 H new ATOM 2169 N GLU A 137 127.495 -0.961 -7.822 1.00 0.00 N ATOM 2170 CA GLU A 137 126.868 -2.044 -8.640 1.00 0.00 C ATOM 2171 C GLU A 137 125.407 -1.744 -9.000 1.00 0.00 C ATOM 2172 O GLU A 137 124.938 -2.107 -10.061 1.00 0.00 O ATOM 2173 CB GLU A 137 126.928 -3.272 -7.734 1.00 0.00 C ATOM 2174 CG GLU A 137 128.386 -3.690 -7.537 1.00 0.00 C ATOM 2175 CD GLU A 137 128.969 -4.161 -8.871 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.193 -4.530 -9.738 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 130.181 -4.146 -9.003 1.00 0.00 O ATOM 0 H GLU A 137 127.711 -1.225 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 137 127.386 -2.166 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.469 -3.049 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.360 -4.091 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.966 -2.852 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.449 -4.489 -6.798 1.00 0.00 H new ATOM 2184 N LEU A 138 124.672 -1.122 -8.121 1.00 0.00 N ATOM 2185 CA LEU A 138 123.234 -0.850 -8.417 1.00 0.00 C ATOM 2186 C LEU A 138 122.965 0.647 -8.626 1.00 0.00 C ATOM 2187 O LEU A 138 123.627 1.477 -8.037 1.00 0.00 O ATOM 2188 CB LEU A 138 122.505 -1.332 -7.164 1.00 0.00 C ATOM 2189 CG LEU A 138 121.982 -2.750 -7.385 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.156 -3.682 -7.684 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.260 -3.228 -6.123 1.00 0.00 C ATOM 0 H LEU A 138 125.001 -0.791 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 138 122.912 -1.345 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.180 -1.313 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.678 -0.661 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 138 121.288 -2.757 -8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 138 122.785 -4.695 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 138 123.672 -3.340 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.849 -3.676 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.886 -4.240 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.954 -3.223 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.425 -2.562 -5.907 1.00 0.00 H new ATOM 2203 N PRO A 139 121.966 0.951 -9.429 1.00 0.00 N ATOM 2204 CA PRO A 139 121.595 2.366 -9.655 1.00 0.00 C ATOM 2205 C PRO A 139 120.918 2.895 -8.394 1.00 0.00 C ATOM 2206 O PRO A 139 120.841 2.196 -7.401 1.00 0.00 O ATOM 2207 CB PRO A 139 120.632 2.311 -10.837 1.00 0.00 C ATOM 2208 CG PRO A 139 120.067 0.927 -10.820 1.00 0.00 C ATOM 2209 CD PRO A 139 121.104 0.030 -10.189 1.00 0.00 C ATOM 0 HA PRO A 139 122.437 3.025 -9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.845 3.059 -10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 139 121.149 2.514 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.137 0.898 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.834 0.594 -11.831 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.644 -0.713 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.671 -0.515 -10.944 1.00 0.00 H new ATOM 2217 N ASN A 140 120.411 4.095 -8.401 1.00 0.00 N ATOM 2218 CA ASN A 140 119.732 4.612 -7.180 1.00 0.00 C ATOM 2219 C ASN A 140 118.288 5.027 -7.513 1.00 0.00 C ATOM 2220 O ASN A 140 117.569 5.531 -6.672 1.00 0.00 O ATOM 2221 CB ASN A 140 120.566 5.826 -6.762 1.00 0.00 C ATOM 2222 CG ASN A 140 122.033 5.414 -6.589 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.926 6.209 -6.804 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.323 4.197 -6.210 1.00 0.00 N ATOM 0 H ASN A 140 120.436 4.737 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 140 119.667 3.868 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.485 6.611 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.182 6.239 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.297 3.917 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 140 121.575 3.527 -6.029 1.00 0.00 H new ATOM 2231 N THR A 141 117.859 4.832 -8.739 1.00 0.00 N ATOM 2232 CA THR A 141 116.477 5.229 -9.128 1.00 0.00 C ATOM 2233 C THR A 141 115.430 4.527 -8.259 1.00 0.00 C ATOM 2234 O THR A 141 115.732 3.644 -7.482 1.00 0.00 O ATOM 2235 CB THR A 141 116.349 4.801 -10.592 1.00 0.00 C ATOM 2236 OG1 THR A 141 115.059 5.151 -11.076 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.550 3.288 -10.709 1.00 0.00 C ATOM 0 H THR A 141 118.413 4.413 -9.486 1.00 0.00 H new ATOM 0 HA THR A 141 116.307 6.297 -8.992 1.00 0.00 H new ATOM 0 HB THR A 141 117.110 5.309 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 141 114.977 4.879 -12.014 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.458 2.988 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 141 117.541 3.023 -10.342 1.00 0.00 H new ATOM 0 HG23 THR A 141 115.794 2.774 -10.116 1.00 0.00 H new ATOM 2245 N ILE A 142 114.195 4.946 -8.377 1.00 0.00 N ATOM 2246 CA ILE A 142 113.105 4.343 -7.551 1.00 0.00 C ATOM 2247 C ILE A 142 112.386 3.229 -8.318 1.00 0.00 C ATOM 2248 O ILE A 142 112.001 3.393 -9.460 1.00 0.00 O ATOM 2249 CB ILE A 142 112.138 5.497 -7.272 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.878 6.618 -6.540 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.979 5.000 -6.404 1.00 0.00 C ATOM 2252 CD1 ILE A 142 113.418 6.093 -5.209 1.00 0.00 C ATOM 0 H ILE A 142 113.894 5.684 -9.014 1.00 0.00 H new ATOM 0 HA ILE A 142 113.494 3.893 -6.638 1.00 0.00 H new ATOM 0 HB ILE A 142 111.746 5.875 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.698 6.989 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 142 112.205 7.458 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.293 5.824 -6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.449 4.203 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.369 4.619 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 142 113.945 6.893 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 142 112.590 5.744 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 142 114.105 5.267 -5.395 1.00 0.00 H new ATOM 2264 N SER A 143 112.178 2.109 -7.682 1.00 0.00 N ATOM 2265 CA SER A 143 111.453 0.987 -8.347 1.00 0.00 C ATOM 2266 C SER A 143 109.962 1.083 -8.008 1.00 0.00 C ATOM 2267 O SER A 143 109.590 1.243 -6.863 1.00 0.00 O ATOM 2268 CB SER A 143 112.060 -0.284 -7.751 1.00 0.00 C ATOM 2269 OG SER A 143 113.442 -0.343 -8.075 1.00 0.00 O ATOM 0 H SER A 143 112.480 1.921 -6.726 1.00 0.00 H new ATOM 0 HA SER A 143 111.546 1.004 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 143 111.928 -0.291 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.546 -1.163 -8.140 1.00 0.00 H new ATOM 0 HG SER A 143 113.946 -0.672 -7.302 1.00 0.00 H new ATOM 2275 N LYS A 144 109.102 0.997 -8.986 1.00 0.00 N ATOM 2276 CA LYS A 144 107.641 1.095 -8.696 1.00 0.00 C ATOM 2277 C LYS A 144 106.892 -0.103 -9.290 1.00 0.00 C ATOM 2278 O LYS A 144 107.131 -0.507 -10.411 1.00 0.00 O ATOM 2279 CB LYS A 144 107.189 2.402 -9.352 1.00 0.00 C ATOM 2280 CG LYS A 144 105.714 2.653 -9.023 1.00 0.00 C ATOM 2281 CD LYS A 144 105.267 3.987 -9.629 1.00 0.00 C ATOM 2282 CE LYS A 144 103.800 4.242 -9.268 1.00 0.00 C ATOM 2283 NZ LYS A 144 103.465 5.564 -9.877 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.344 0.864 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 144 107.435 1.088 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.799 3.231 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.328 2.347 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 144 105.101 1.841 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.570 2.667 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.892 4.797 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.388 3.966 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 144 103.156 3.455 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 144 103.659 4.260 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 102.474 5.801 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 104.087 6.297 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 103.600 5.516 -10.907 1.00 0.00 H new ATOM 2297 N GLY A 145 105.989 -0.674 -8.538 1.00 0.00 N ATOM 2298 CA GLY A 145 105.222 -1.849 -9.045 1.00 0.00 C ATOM 2299 C GLY A 145 104.340 -1.422 -10.218 1.00 0.00 C ATOM 2300 O GLY A 145 103.562 -2.243 -10.677 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.455 -0.283 -10.638 1.00 0.00 O ATOM 0 H GLY A 145 105.749 -0.377 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.908 -2.635 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.607 -2.265 -8.247 1.00 0.00 H new