USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 755 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 30 CYS SG : rot 28:sc= -0.306 USER MOD Set 1.2: A 33 CYS SG : rot 174:sc= -1.01 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -5.57! C(o=-7!,f=-9!) USER MOD Set 1.4: A 67 CYS SG : rot -150:sc= -0.124 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 6:sc= 0.771 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= 0.0517 F(o=-1.4!,f=0.052) USER MOD Single : A 28 SER OG : rot 160:sc= 0.858 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= -1.8! (180deg=-5.1!) USER MOD Single : A 34 MET CE :methyl -173:sc= 0 (180deg=-0.0432) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0121) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.394 K(o=-0.39,f=-2.4) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0022 USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -2.08 (180deg=-4.33!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 58 MET CE :methyl 172:sc= -5.11! (180deg=-6.2!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.092 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -21:sc= 0.074 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.372 F(o=-0.94,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00742 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc=-0.000173 (180deg=-0.0795) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.58 F(o=-2.3,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.640 14.439 -2.849 1.00 0.00 N ATOM 132 CA LYS A 13 16.543 14.696 -3.775 1.00 0.00 C ATOM 133 C LYS A 13 15.663 13.460 -3.932 1.00 0.00 C ATOM 134 O LYS A 13 15.246 13.118 -5.039 1.00 0.00 O ATOM 135 CB LYS A 13 17.089 15.123 -5.139 1.00 0.00 C ATOM 136 CG LYS A 13 16.074 15.858 -5.997 1.00 0.00 C ATOM 137 CD LYS A 13 16.719 16.452 -7.238 1.00 0.00 C ATOM 138 CE LYS A 13 15.837 17.518 -7.869 1.00 0.00 C ATOM 139 NZ LYS A 13 16.520 18.205 -9.000 1.00 0.00 N ATOM 0 HA LYS A 13 15.936 15.503 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.958 15.764 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 13 17.434 14.239 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.280 15.172 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.609 16.652 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.684 16.885 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.911 15.661 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.914 17.061 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.558 18.252 -7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.886 18.924 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.388 18.663 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.764 17.509 -9.733 1.00 0.00 H new ATOM 153 N THR A 14 15.382 12.793 -2.817 1.00 0.00 N ATOM 154 CA THR A 14 14.551 11.596 -2.831 1.00 0.00 C ATOM 155 C THR A 14 13.139 11.901 -2.343 1.00 0.00 C ATOM 156 O THR A 14 12.921 12.858 -1.600 1.00 0.00 O ATOM 157 CB THR A 14 15.155 10.482 -1.955 1.00 0.00 C ATOM 158 OG1 THR A 14 16.547 10.325 -2.253 1.00 0.00 O ATOM 159 CG2 THR A 14 14.431 9.164 -2.180 1.00 0.00 C ATOM 0 H THR A 14 15.718 13.062 -1.892 1.00 0.00 H new ATOM 0 HA THR A 14 14.509 11.253 -3.865 1.00 0.00 H new ATOM 0 HB THR A 14 15.038 10.768 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.924 9.616 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.875 8.393 -1.551 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.378 9.279 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.520 8.874 -3.227 1.00 0.00 H new ATOM 167 N LEU A 15 12.183 11.081 -2.765 1.00 0.00 N ATOM 168 CA LEU A 15 10.790 11.262 -2.370 1.00 0.00 C ATOM 169 C LEU A 15 10.459 10.422 -1.141 1.00 0.00 C ATOM 170 O LEU A 15 10.563 9.196 -1.168 1.00 0.00 O ATOM 171 CB LEU A 15 9.860 10.888 -3.525 1.00 0.00 C ATOM 172 CG LEU A 15 9.691 11.941 -4.620 1.00 0.00 C ATOM 173 CD1 LEU A 15 9.057 11.327 -5.859 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.855 13.108 -4.114 1.00 0.00 C ATOM 0 H LEU A 15 12.347 10.284 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 15 10.642 12.312 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.234 9.973 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.877 10.660 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 15 10.678 12.317 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.945 12.092 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.694 10.526 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.077 10.922 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.745 13.848 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.871 12.748 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.350 13.565 -3.257 1.00 0.00 H new ATOM 186 N GLY A 16 10.057 11.090 -0.064 1.00 0.00 N ATOM 187 CA GLY A 16 9.714 10.389 1.159 1.00 0.00 C ATOM 188 C GLY A 16 8.300 9.844 1.138 1.00 0.00 C ATOM 189 O GLY A 16 8.069 8.685 1.483 1.00 0.00 O ATOM 0 H GLY A 16 9.963 12.105 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.414 9.568 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.827 11.066 2.006 1.00 0.00 H new ATOM 193 N ASP A 17 7.351 10.682 0.734 1.00 0.00 N ATOM 194 CA ASP A 17 5.951 10.278 0.670 1.00 0.00 C ATOM 195 C ASP A 17 5.792 8.995 -0.141 1.00 0.00 C ATOM 196 O ASP A 17 5.035 8.101 0.235 1.00 0.00 O ATOM 197 CB ASP A 17 5.104 11.393 0.055 1.00 0.00 C ATOM 198 CG ASP A 17 5.329 12.731 0.732 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.559 12.743 1.959 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.274 13.766 0.034 1.00 0.00 O ATOM 0 H ASP A 17 7.526 11.645 0.446 1.00 0.00 H new ATOM 0 HA ASP A 17 5.606 10.089 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.340 11.481 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.050 11.126 0.126 1.00 0.00 H new ATOM 205 N PHE A 18 6.511 8.913 -1.256 1.00 0.00 N ATOM 206 CA PHE A 18 6.448 7.741 -2.121 1.00 0.00 C ATOM 207 C PHE A 18 7.681 6.862 -1.937 1.00 0.00 C ATOM 208 O PHE A 18 8.812 7.346 -1.971 1.00 0.00 O ATOM 209 CB PHE A 18 6.326 8.168 -3.586 1.00 0.00 C ATOM 210 CG PHE A 18 5.074 8.944 -3.882 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.896 8.288 -4.201 1.00 0.00 C ATOM 212 CD2 PHE A 18 5.076 10.329 -3.842 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.742 8.998 -4.474 1.00 0.00 C ATOM 214 CE2 PHE A 18 3.925 11.045 -4.113 1.00 0.00 C ATOM 215 CZ PHE A 18 2.757 10.379 -4.431 1.00 0.00 C ATOM 0 H PHE A 18 7.144 9.644 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 18 5.567 7.163 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.191 8.775 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.352 7.280 -4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.879 7.209 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.987 10.855 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.830 8.474 -4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.939 12.124 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.857 10.937 -4.646 1.00 0.00 H new ATOM 225 N ALA A 19 7.454 5.568 -1.741 1.00 0.00 N ATOM 226 CA ALA A 19 8.546 4.620 -1.553 1.00 0.00 C ATOM 227 C ALA A 19 8.176 3.242 -2.091 1.00 0.00 C ATOM 228 O ALA A 19 7.041 2.791 -1.940 1.00 0.00 O ATOM 229 CB ALA A 19 8.920 4.531 -0.081 1.00 0.00 C ATOM 0 H ALA A 19 6.524 5.151 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 19 9.408 4.981 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.736 3.820 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.236 5.512 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.056 4.197 0.494 1.00 0.00 H new ATOM 235 N ALA A 20 9.141 2.579 -2.720 1.00 0.00 N ATOM 236 CA ALA A 20 8.916 1.252 -3.279 1.00 0.00 C ATOM 237 C ALA A 20 9.951 0.257 -2.764 1.00 0.00 C ATOM 238 O ALA A 20 11.154 0.495 -2.857 1.00 0.00 O ATOM 239 CB ALA A 20 8.946 1.308 -4.799 1.00 0.00 C ATOM 0 H ALA A 20 10.086 2.939 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 20 7.932 0.911 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.777 0.310 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.165 1.981 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.918 1.674 -5.131 1.00 0.00 H new ATOM 245 N GLU A 21 9.473 -0.858 -2.219 1.00 0.00 N ATOM 246 CA GLU A 21 10.358 -1.888 -1.688 1.00 0.00 C ATOM 247 C GLU A 21 9.582 -3.166 -1.381 1.00 0.00 C ATOM 248 O GLU A 21 8.351 -3.178 -1.399 1.00 0.00 O ATOM 249 CB GLU A 21 11.058 -1.387 -0.423 1.00 0.00 C ATOM 250 CG GLU A 21 10.102 -1.064 0.714 1.00 0.00 C ATOM 251 CD GLU A 21 10.751 -0.231 1.802 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.759 -0.691 2.380 1.00 0.00 O ATOM 253 OE2 GLU A 21 10.252 0.880 2.077 1.00 0.00 O ATOM 0 H GLU A 21 8.479 -1.070 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 21 11.109 -2.112 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.767 -2.143 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.635 -0.495 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.239 -0.529 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.730 -1.993 1.146 1.00 0.00 H new ATOM 260 N TYR A 22 10.312 -4.240 -1.101 1.00 0.00 N ATOM 261 CA TYR A 22 9.694 -5.524 -0.793 1.00 0.00 C ATOM 262 C TYR A 22 8.902 -5.450 0.509 1.00 0.00 C ATOM 263 O TYR A 22 9.191 -4.629 1.378 1.00 0.00 O ATOM 264 CB TYR A 22 10.761 -6.616 -0.693 1.00 0.00 C ATOM 265 CG TYR A 22 11.602 -6.758 -1.941 1.00 0.00 C ATOM 266 CD1 TYR A 22 11.085 -7.348 -3.088 1.00 0.00 C ATOM 267 CD2 TYR A 22 12.913 -6.300 -1.974 1.00 0.00 C ATOM 268 CE1 TYR A 22 11.850 -7.480 -4.230 1.00 0.00 C ATOM 269 CE2 TYR A 22 13.685 -6.426 -3.113 1.00 0.00 C ATOM 270 CZ TYR A 22 13.150 -7.017 -4.238 1.00 0.00 C ATOM 271 OH TYR A 22 13.915 -7.146 -5.375 1.00 0.00 O ATOM 0 H TYR A 22 11.332 -4.247 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 22 9.006 -5.770 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.414 -6.398 0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.275 -7.569 -0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.067 -7.710 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.336 -5.838 -1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.433 -7.943 -5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.702 -6.063 -3.122 1.00 0.00 H new ATOM 0 HH TYR A 22 13.361 -7.494 -6.105 1.00 0.00 H new ATOM 281 N ALA A 23 7.901 -6.316 0.635 1.00 0.00 N ATOM 282 CA ALA A 23 7.068 -6.351 1.831 1.00 0.00 C ATOM 283 C ALA A 23 7.786 -7.052 2.979 1.00 0.00 C ATOM 284 O ALA A 23 8.510 -8.026 2.771 1.00 0.00 O ATOM 285 CB ALA A 23 5.746 -7.042 1.532 1.00 0.00 C ATOM 0 H ALA A 23 7.648 -7.002 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 23 6.868 -5.324 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.134 -7.061 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.220 -6.498 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.936 -8.063 1.200 1.00 0.00 H new ATOM 291 N LYS A 24 7.583 -6.549 4.192 1.00 0.00 N ATOM 292 CA LYS A 24 8.210 -7.127 5.375 1.00 0.00 C ATOM 293 C LYS A 24 7.351 -8.245 5.956 1.00 0.00 C ATOM 294 O LYS A 24 7.842 -9.339 6.231 1.00 0.00 O ATOM 295 CB LYS A 24 8.443 -6.046 6.433 1.00 0.00 C ATOM 296 CG LYS A 24 9.428 -4.974 6.002 1.00 0.00 C ATOM 297 CD LYS A 24 10.855 -5.495 6.003 1.00 0.00 C ATOM 298 CE LYS A 24 11.776 -4.604 5.183 1.00 0.00 C ATOM 299 NZ LYS A 24 13.198 -5.035 5.282 1.00 0.00 N ATOM 0 H LYS A 24 6.989 -5.742 4.382 1.00 0.00 H new ATOM 0 HA LYS A 24 9.170 -7.549 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.490 -5.575 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.808 -6.516 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.169 -4.621 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.352 -4.118 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.221 -5.553 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.874 -6.508 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.463 -4.622 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.684 -3.573 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.793 -4.403 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.505 -4.994 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.291 -6.010 4.931 1.00 0.00 H new ATOM 313 N SER A 25 6.065 -7.963 6.138 1.00 0.00 N ATOM 314 CA SER A 25 5.137 -8.945 6.688 1.00 0.00 C ATOM 315 C SER A 25 3.803 -8.905 5.949 1.00 0.00 C ATOM 316 O SER A 25 3.405 -7.868 5.420 1.00 0.00 O ATOM 317 CB SER A 25 4.915 -8.688 8.180 1.00 0.00 C ATOM 318 OG SER A 25 4.583 -9.886 8.860 1.00 0.00 O ATOM 0 H SER A 25 5.642 -7.063 5.913 1.00 0.00 H new ATOM 0 HA SER A 25 5.575 -9.935 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.816 -8.257 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.116 -7.958 8.312 1.00 0.00 H new ATOM 0 HG SER A 25 4.448 -9.695 9.812 1.00 0.00 H new ATOM 324 N ASN A 26 3.117 -10.043 5.918 1.00 0.00 N ATOM 325 CA ASN A 26 1.828 -10.140 5.243 1.00 0.00 C ATOM 326 C ASN A 26 0.704 -9.635 6.143 1.00 0.00 C ATOM 327 O ASN A 26 -0.381 -10.216 6.185 1.00 0.00 O ATOM 328 CB ASN A 26 1.553 -11.587 4.829 1.00 0.00 C ATOM 329 CG ASN A 26 1.717 -12.560 5.981 1.00 0.00 C ATOM 330 OD1 ASN A 26 2.953 -12.978 6.230 1.00 0.00 O flip ATOM 331 ND2 ASN A 26 0.745 -12.930 6.639 1.00 0.00 N flip ATOM 0 H ASN A 26 3.432 -10.910 6.352 1.00 0.00 H new ATOM 0 HA ASN A 26 1.865 -9.515 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.540 -11.663 4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.231 -11.866 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.187 -12.583 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.871 -13.584 7.411 1.00 0.00 H new ATOM 338 N ARG A 27 0.971 -8.549 6.862 1.00 0.00 N ATOM 339 CA ARG A 27 -0.017 -7.966 7.761 1.00 0.00 C ATOM 340 C ARG A 27 -0.831 -6.889 7.050 1.00 0.00 C ATOM 341 O ARG A 27 -2.055 -6.978 6.963 1.00 0.00 O ATOM 342 CB ARG A 27 0.670 -7.372 8.992 1.00 0.00 C ATOM 343 CG ARG A 27 1.026 -8.405 10.049 1.00 0.00 C ATOM 344 CD ARG A 27 -0.102 -8.588 11.051 1.00 0.00 C ATOM 345 NE ARG A 27 -1.153 -9.463 10.539 1.00 0.00 N ATOM 346 CZ ARG A 27 -2.216 -9.828 11.247 1.00 0.00 C ATOM 347 NH1 ARG A 27 -2.368 -9.396 12.492 1.00 0.00 N ATOM 348 NH2 ARG A 27 -3.130 -10.627 10.711 1.00 0.00 N ATOM 0 H ARG A 27 1.863 -8.056 6.839 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.695 -8.759 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.578 -6.858 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.016 -6.621 9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.245 -9.358 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.931 -8.096 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.298 -9.005 11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.528 -7.616 11.298 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.066 -9.813 9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.668 -8.782 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.185 -9.678 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.017 -10.962 9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.946 -10.906 11.256 1.00 0.00 H new ATOM 362 N SER A 28 -0.141 -5.871 6.544 1.00 0.00 N ATOM 363 CA SER A 28 -0.800 -4.774 5.845 1.00 0.00 C ATOM 364 C SER A 28 -1.738 -5.304 4.765 1.00 0.00 C ATOM 365 O SER A 28 -1.591 -6.433 4.296 1.00 0.00 O ATOM 366 CB SER A 28 0.240 -3.842 5.220 1.00 0.00 C ATOM 367 OG SER A 28 -0.368 -2.668 4.710 1.00 0.00 O ATOM 0 H SER A 28 0.873 -5.784 6.605 1.00 0.00 H new ATOM 0 HA SER A 28 -1.389 -4.215 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.987 -3.573 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.763 -4.362 4.418 1.00 0.00 H new ATOM 0 HG SER A 28 0.308 -1.966 4.612 1.00 0.00 H new ATOM 373 N THR A 29 -2.706 -4.480 4.374 1.00 0.00 N ATOM 374 CA THR A 29 -3.670 -4.864 3.351 1.00 0.00 C ATOM 375 C THR A 29 -3.975 -3.698 2.418 1.00 0.00 C ATOM 376 O THR A 29 -4.244 -2.584 2.867 1.00 0.00 O ATOM 377 CB THR A 29 -4.985 -5.364 3.978 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.709 -6.361 4.967 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.907 -5.939 2.913 1.00 0.00 C ATOM 0 H THR A 29 -2.843 -3.542 4.751 1.00 0.00 H new ATOM 0 HA THR A 29 -3.218 -5.674 2.779 1.00 0.00 H new ATOM 0 HB THR A 29 -5.483 -4.516 4.448 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.550 -6.672 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.829 -6.286 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.139 -5.168 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.414 -6.776 2.418 1.00 0.00 H new ATOM 387 N CYS A 30 -3.934 -3.962 1.116 1.00 0.00 N ATOM 388 CA CYS A 30 -4.206 -2.934 0.118 1.00 0.00 C ATOM 389 C CYS A 30 -5.652 -2.455 0.212 1.00 0.00 C ATOM 390 O CYS A 30 -6.537 -3.196 0.642 1.00 0.00 O ATOM 391 CB CYS A 30 -3.925 -3.470 -1.287 1.00 0.00 C ATOM 392 SG CYS A 30 -4.079 -2.222 -2.604 1.00 0.00 S ATOM 0 H CYS A 30 -3.715 -4.879 0.727 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.547 -2.088 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.917 -3.885 -1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.613 -4.290 -1.496 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.813 -1.045 -2.120 1.00 0.00 H new ATOM 397 N LYS A 31 -5.885 -1.212 -0.195 1.00 0.00 N ATOM 398 CA LYS A 31 -7.223 -0.633 -0.160 1.00 0.00 C ATOM 399 C LYS A 31 -7.861 -0.653 -1.545 1.00 0.00 C ATOM 400 O LYS A 31 -9.084 -0.680 -1.675 1.00 0.00 O ATOM 401 CB LYS A 31 -7.166 0.803 0.367 1.00 0.00 C ATOM 402 CG LYS A 31 -6.639 0.909 1.788 1.00 0.00 C ATOM 403 CD LYS A 31 -7.769 0.896 2.804 1.00 0.00 C ATOM 404 CE LYS A 31 -8.073 -0.516 3.281 1.00 0.00 C ATOM 405 NZ LYS A 31 -9.084 -1.187 2.418 1.00 0.00 N ATOM 0 H LYS A 31 -5.164 -0.586 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.835 -1.236 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.533 1.398 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.165 1.236 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.959 0.081 1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.062 1.828 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.500 1.519 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.664 1.332 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.154 -1.103 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.437 -0.482 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.940 -1.383 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.325 -0.566 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.694 -2.081 2.056 1.00 0.00 H new ATOM 419 N GLY A 32 -7.024 -0.640 -2.578 1.00 0.00 N ATOM 420 CA GLY A 32 -7.525 -0.658 -3.939 1.00 0.00 C ATOM 421 C GLY A 32 -8.254 -1.945 -4.272 1.00 0.00 C ATOM 422 O GLY A 32 -9.344 -1.920 -4.843 1.00 0.00 O ATOM 0 H GLY A 32 -6.008 -0.617 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.199 0.186 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.693 -0.526 -4.631 1.00 0.00 H new ATOM 426 N CYS A 33 -7.651 -3.074 -3.915 1.00 0.00 N ATOM 427 CA CYS A 33 -8.248 -4.377 -4.181 1.00 0.00 C ATOM 428 C CYS A 33 -8.740 -5.023 -2.889 1.00 0.00 C ATOM 429 O CYS A 33 -9.352 -6.091 -2.911 1.00 0.00 O ATOM 430 CB CYS A 33 -7.235 -5.294 -4.870 1.00 0.00 C ATOM 431 SG CYS A 33 -5.634 -5.414 -4.009 1.00 0.00 S ATOM 0 H CYS A 33 -6.749 -3.113 -3.441 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.103 -4.230 -4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.665 -6.292 -4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.064 -4.932 -5.884 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.891 -6.305 -4.596 1.00 0.00 H new ATOM 436 N MET A 34 -8.468 -4.368 -1.765 1.00 0.00 N ATOM 437 CA MET A 34 -8.884 -4.878 -0.464 1.00 0.00 C ATOM 438 C MET A 34 -8.415 -6.316 -0.268 1.00 0.00 C ATOM 439 O MET A 34 -9.170 -7.165 0.205 1.00 0.00 O ATOM 440 CB MET A 34 -10.406 -4.802 -0.325 1.00 0.00 C ATOM 441 CG MET A 34 -10.941 -3.380 -0.278 1.00 0.00 C ATOM 442 SD MET A 34 -12.726 -3.318 -0.032 1.00 0.00 S ATOM 443 CE MET A 34 -13.310 -3.792 -1.657 1.00 0.00 C ATOM 0 H MET A 34 -7.962 -3.483 -1.729 1.00 0.00 H new ATOM 0 HA MET A 34 -8.425 -4.257 0.305 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.866 -5.327 -1.162 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.706 -5.325 0.583 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.448 -2.837 0.528 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.688 -2.870 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.393 -3.680 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.848 -3.154 -2.410 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.045 -4.831 -1.850 1.00 0.00 H new ATOM 453 N GLU A 35 -7.166 -6.582 -0.636 1.00 0.00 N ATOM 454 CA GLU A 35 -6.598 -7.919 -0.501 1.00 0.00 C ATOM 455 C GLU A 35 -5.277 -7.875 0.262 1.00 0.00 C ATOM 456 O GLU A 35 -4.481 -6.950 0.096 1.00 0.00 O ATOM 457 CB GLU A 35 -6.383 -8.547 -1.880 1.00 0.00 C ATOM 458 CG GLU A 35 -5.008 -8.272 -2.466 1.00 0.00 C ATOM 459 CD GLU A 35 -4.947 -8.532 -3.958 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.583 -9.504 -4.418 1.00 0.00 O ATOM 461 OE2 GLU A 35 -4.264 -7.764 -4.667 1.00 0.00 O ATOM 0 H GLU A 35 -6.528 -5.890 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.303 -8.530 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.528 -9.625 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.143 -8.169 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.735 -7.235 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.271 -8.897 -1.962 1.00 0.00 H new ATOM 468 N LYS A 36 -5.052 -8.880 1.100 1.00 0.00 N ATOM 469 CA LYS A 36 -3.828 -8.959 1.890 1.00 0.00 C ATOM 470 C LYS A 36 -2.597 -8.888 0.993 1.00 0.00 C ATOM 471 O LYS A 36 -2.640 -9.290 -0.170 1.00 0.00 O ATOM 472 CB LYS A 36 -3.805 -10.255 2.704 1.00 0.00 C ATOM 473 CG LYS A 36 -4.058 -11.500 1.872 1.00 0.00 C ATOM 474 CD LYS A 36 -2.762 -12.087 1.338 1.00 0.00 C ATOM 475 CE LYS A 36 -2.915 -13.562 1.001 1.00 0.00 C ATOM 476 NZ LYS A 36 -1.838 -14.038 0.090 1.00 0.00 N ATOM 0 H LYS A 36 -5.701 -9.652 1.250 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.809 -8.109 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.837 -10.348 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.558 -10.194 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.573 -12.245 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.717 -11.255 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.453 -11.539 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.972 -11.962 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.898 -14.148 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.886 -13.729 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.025 -15.024 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.815 -13.441 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.921 -13.982 0.577 1.00 0.00 H new ATOM 490 N ILE A 37 -1.500 -8.375 1.541 1.00 0.00 N ATOM 491 CA ILE A 37 -0.257 -8.253 0.791 1.00 0.00 C ATOM 492 C ILE A 37 0.700 -9.393 1.124 1.00 0.00 C ATOM 493 O ILE A 37 1.046 -9.606 2.285 1.00 0.00 O ATOM 494 CB ILE A 37 0.444 -6.911 1.075 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.469 -5.744 0.692 1.00 0.00 C ATOM 496 CG2 ILE A 37 1.761 -6.831 0.318 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.136 -4.387 0.974 1.00 0.00 C ATOM 0 H ILE A 37 -1.448 -8.037 2.502 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.521 -8.299 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 37 0.657 -6.847 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.708 -5.813 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.409 -5.834 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.244 -5.877 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.412 -7.646 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.571 -6.913 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.566 -3.607 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.349 -4.298 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.061 -4.276 0.408 1.00 0.00 H new ATOM 509 N GLU A 38 1.124 -10.122 0.096 1.00 0.00 N ATOM 510 CA GLU A 38 2.042 -11.240 0.281 1.00 0.00 C ATOM 511 C GLU A 38 3.425 -10.746 0.695 1.00 0.00 C ATOM 512 O GLU A 38 4.005 -9.874 0.048 1.00 0.00 O ATOM 513 CB GLU A 38 2.146 -12.061 -1.006 1.00 0.00 C ATOM 514 CG GLU A 38 0.891 -12.855 -1.325 1.00 0.00 C ATOM 515 CD GLU A 38 0.850 -13.330 -2.764 1.00 0.00 C ATOM 516 OE1 GLU A 38 1.886 -13.826 -3.254 1.00 0.00 O ATOM 517 OE2 GLU A 38 -0.217 -13.205 -3.401 1.00 0.00 O ATOM 0 H GLU A 38 0.847 -9.959 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 38 1.648 -11.872 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.363 -11.391 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.988 -12.748 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.832 -13.717 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.015 -12.238 -1.125 1.00 0.00 H new ATOM 524 N LYS A 39 3.948 -11.309 1.780 1.00 0.00 N ATOM 525 CA LYS A 39 5.262 -10.928 2.282 1.00 0.00 C ATOM 526 C LYS A 39 6.340 -11.182 1.233 1.00 0.00 C ATOM 527 O LYS A 39 6.301 -12.182 0.518 1.00 0.00 O ATOM 528 CB LYS A 39 5.587 -11.703 3.561 1.00 0.00 C ATOM 529 CG LYS A 39 6.898 -11.291 4.206 1.00 0.00 C ATOM 530 CD LYS A 39 7.188 -12.110 5.453 1.00 0.00 C ATOM 531 CE LYS A 39 8.680 -12.181 5.738 1.00 0.00 C ATOM 532 NZ LYS A 39 8.961 -12.758 7.082 1.00 0.00 N ATOM 0 H LYS A 39 3.481 -12.031 2.328 1.00 0.00 H new ATOM 0 HA LYS A 39 5.242 -9.861 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.778 -11.560 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.624 -12.768 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.711 -11.415 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.860 -10.233 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.674 -11.669 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.792 -13.118 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.167 -12.786 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.110 -11.181 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.989 -12.789 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.517 -12.166 7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.573 -13.722 7.134 1.00 0.00 H new ATOM 546 N GLY A 40 7.304 -10.270 1.148 1.00 0.00 N ATOM 547 CA GLY A 40 8.380 -10.415 0.185 1.00 0.00 C ATOM 548 C GLY A 40 8.065 -9.749 -1.140 1.00 0.00 C ATOM 549 O GLY A 40 8.961 -9.241 -1.814 1.00 0.00 O ATOM 0 H GLY A 40 7.359 -9.433 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.293 -9.984 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.574 -11.475 0.019 1.00 0.00 H new ATOM 553 N GLN A 41 6.790 -9.753 -1.515 1.00 0.00 N ATOM 554 CA GLN A 41 6.361 -9.147 -2.769 1.00 0.00 C ATOM 555 C GLN A 41 6.546 -7.634 -2.734 1.00 0.00 C ATOM 556 O GLN A 41 6.304 -6.992 -1.712 1.00 0.00 O ATOM 557 CB GLN A 41 4.896 -9.487 -3.050 1.00 0.00 C ATOM 558 CG GLN A 41 4.676 -10.932 -3.467 1.00 0.00 C ATOM 559 CD GLN A 41 5.281 -11.247 -4.821 1.00 0.00 C ATOM 560 OE1 GLN A 41 5.847 -10.374 -5.479 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.164 -12.500 -5.245 1.00 0.00 N ATOM 0 H GLN A 41 6.036 -10.169 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 41 6.981 -9.552 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.306 -9.282 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.523 -8.830 -3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.110 -11.593 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.606 -11.140 -3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.687 -13.192 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.551 -12.771 -6.149 1.00 0.00 H new ATOM 570 N VAL A 42 6.978 -7.069 -3.857 1.00 0.00 N ATOM 571 CA VAL A 42 7.195 -5.631 -3.956 1.00 0.00 C ATOM 572 C VAL A 42 5.932 -4.858 -3.594 1.00 0.00 C ATOM 573 O VAL A 42 4.819 -5.300 -3.880 1.00 0.00 O ATOM 574 CB VAL A 42 7.644 -5.226 -5.372 1.00 0.00 C ATOM 575 CG1 VAL A 42 7.845 -3.721 -5.460 1.00 0.00 C ATOM 576 CG2 VAL A 42 8.915 -5.966 -5.760 1.00 0.00 C ATOM 0 H VAL A 42 7.185 -7.586 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 42 7.985 -5.382 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 42 6.860 -5.504 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.162 -3.455 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.908 -3.215 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.609 -3.414 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.218 -5.668 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.708 -5.721 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.731 -7.040 -5.741 1.00 0.00 H new ATOM 586 N ARG A 43 6.112 -3.701 -2.965 1.00 0.00 N ATOM 587 CA ARG A 43 4.986 -2.867 -2.564 1.00 0.00 C ATOM 588 C ARG A 43 5.392 -1.397 -2.507 1.00 0.00 C ATOM 589 O ARG A 43 6.579 -1.069 -2.507 1.00 0.00 O ATOM 590 CB ARG A 43 4.453 -3.313 -1.201 1.00 0.00 C ATOM 591 CG ARG A 43 5.272 -2.798 -0.029 1.00 0.00 C ATOM 592 CD ARG A 43 4.751 -3.337 1.294 1.00 0.00 C ATOM 593 NE ARG A 43 5.684 -3.092 2.391 1.00 0.00 N ATOM 594 CZ ARG A 43 5.359 -3.214 3.673 1.00 0.00 C ATOM 595 NH1 ARG A 43 4.131 -3.575 4.018 1.00 0.00 N ATOM 596 NH2 ARG A 43 6.264 -2.974 4.614 1.00 0.00 N ATOM 0 H ARG A 43 7.027 -3.320 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 43 4.199 -2.981 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.424 -2.970 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.431 -4.402 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.315 -3.089 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.245 -1.708 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.792 -2.871 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.571 -4.408 1.203 1.00 0.00 H new ATOM 0 HE ARG A 43 6.637 -2.812 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.433 -3.760 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.885 -3.668 5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.210 -2.696 4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.014 -3.068 5.598 1.00 0.00 H new ATOM 610 N LEU A 44 4.399 -0.516 -2.459 1.00 0.00 N ATOM 611 CA LEU A 44 4.652 0.920 -2.402 1.00 0.00 C ATOM 612 C LEU A 44 3.841 1.572 -1.286 1.00 0.00 C ATOM 613 O LEU A 44 2.822 1.036 -0.851 1.00 0.00 O ATOM 614 CB LEU A 44 4.310 1.571 -3.743 1.00 0.00 C ATOM 615 CG LEU A 44 5.027 1.001 -4.968 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.189 -0.089 -5.617 1.00 0.00 C ATOM 617 CD2 LEU A 44 5.335 2.106 -5.968 1.00 0.00 C ATOM 0 H LEU A 44 3.411 -0.770 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 44 5.711 1.070 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.235 1.484 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.537 2.635 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 44 5.969 0.561 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.715 -0.483 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.020 -0.893 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.231 0.326 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.845 1.682 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.405 2.576 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.976 2.853 -5.499 1.00 0.00 H new ATOM 629 N SER A 45 4.300 2.733 -0.829 1.00 0.00 N ATOM 630 CA SER A 45 3.619 3.458 0.237 1.00 0.00 C ATOM 631 C SER A 45 3.310 4.889 -0.191 1.00 0.00 C ATOM 632 O SER A 45 4.069 5.503 -0.941 1.00 0.00 O ATOM 633 CB SER A 45 4.475 3.466 1.505 1.00 0.00 C ATOM 634 OG SER A 45 5.641 4.252 1.328 1.00 0.00 O ATOM 0 H SER A 45 5.141 3.191 -1.181 1.00 0.00 H new ATOM 0 HA SER A 45 2.678 2.949 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.892 3.857 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.756 2.445 1.764 1.00 0.00 H new ATOM 0 HG SER A 45 6.170 4.243 2.153 1.00 0.00 H new ATOM 640 N LYS A 46 2.189 5.415 0.291 1.00 0.00 N ATOM 641 CA LYS A 46 1.778 6.774 -0.038 1.00 0.00 C ATOM 642 C LYS A 46 1.240 7.494 1.194 1.00 0.00 C ATOM 643 O LYS A 46 0.208 7.114 1.748 1.00 0.00 O ATOM 644 CB LYS A 46 0.711 6.754 -1.136 1.00 0.00 C ATOM 645 CG LYS A 46 0.042 8.100 -1.358 1.00 0.00 C ATOM 646 CD LYS A 46 -0.622 8.174 -2.723 1.00 0.00 C ATOM 647 CE LYS A 46 -0.677 9.603 -3.239 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.641 9.657 -4.727 1.00 0.00 N ATOM 0 H LYS A 46 1.549 4.920 0.911 1.00 0.00 H new ATOM 0 HA LYS A 46 2.653 7.314 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.168 6.427 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.050 6.017 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.703 8.270 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.783 8.895 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.073 7.552 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.632 7.770 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.587 10.084 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.163 10.168 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.218 10.156 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.636 8.690 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.480 10.163 -5.076 1.00 0.00 H new ATOM 662 N LYS A 47 1.945 8.537 1.620 1.00 0.00 N ATOM 663 CA LYS A 47 1.538 9.312 2.785 1.00 0.00 C ATOM 664 C LYS A 47 0.419 10.285 2.428 1.00 0.00 C ATOM 665 O LYS A 47 0.567 11.111 1.527 1.00 0.00 O ATOM 666 CB LYS A 47 2.733 10.080 3.355 1.00 0.00 C ATOM 667 CG LYS A 47 2.653 10.303 4.855 1.00 0.00 C ATOM 668 CD LYS A 47 3.881 11.031 5.377 1.00 0.00 C ATOM 669 CE LYS A 47 4.996 10.059 5.732 1.00 0.00 C ATOM 670 NZ LYS A 47 6.329 10.722 5.738 1.00 0.00 N ATOM 0 H LYS A 47 2.802 8.865 1.175 1.00 0.00 H new ATOM 0 HA LYS A 47 1.166 8.619 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.648 9.534 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.805 11.046 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.759 10.880 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.555 9.343 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.236 11.734 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.612 11.615 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.801 9.626 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.003 9.237 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.062 10.026 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.526 11.113 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.331 11.490 6.439 1.00 0.00 H new ATOM 684 N MET A 48 -0.698 10.182 3.140 1.00 0.00 N ATOM 685 CA MET A 48 -1.841 11.056 2.898 1.00 0.00 C ATOM 686 C MET A 48 -2.819 11.007 4.068 1.00 0.00 C ATOM 687 O MET A 48 -2.846 10.038 4.827 1.00 0.00 O ATOM 688 CB MET A 48 -2.553 10.654 1.605 1.00 0.00 C ATOM 689 CG MET A 48 -3.130 9.248 1.641 1.00 0.00 C ATOM 690 SD MET A 48 -4.341 8.961 0.336 1.00 0.00 S ATOM 691 CE MET A 48 -5.855 9.432 1.169 1.00 0.00 C ATOM 0 H MET A 48 -0.837 9.503 3.888 1.00 0.00 H new ATOM 0 HA MET A 48 -1.472 12.077 2.798 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.357 11.363 1.407 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.851 10.729 0.775 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.320 8.525 1.546 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.598 9.076 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.698 9.309 0.489 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.000 8.800 2.045 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.790 10.474 1.481 1.00 0.00 H new ATOM 701 N VAL A 49 -3.621 12.058 4.207 1.00 0.00 N ATOM 702 CA VAL A 49 -4.601 12.134 5.284 1.00 0.00 C ATOM 703 C VAL A 49 -5.894 11.421 4.901 1.00 0.00 C ATOM 704 O VAL A 49 -6.401 11.586 3.792 1.00 0.00 O ATOM 705 CB VAL A 49 -4.922 13.595 5.648 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.034 13.656 6.684 1.00 0.00 C ATOM 707 CG2 VAL A 49 -3.675 14.305 6.151 1.00 0.00 C ATOM 0 H VAL A 49 -3.611 12.868 3.587 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.160 11.640 6.150 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.267 14.107 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.247 14.697 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.932 13.187 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.721 13.128 7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.921 15.337 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.298 13.794 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.911 14.294 5.373 1.00 0.00 H new ATOM 717 N ASP A 50 -6.422 10.629 5.828 1.00 0.00 N ATOM 718 CA ASP A 50 -7.657 9.891 5.589 1.00 0.00 C ATOM 719 C ASP A 50 -8.861 10.828 5.605 1.00 0.00 C ATOM 720 O ASP A 50 -9.116 11.534 6.580 1.00 0.00 O ATOM 721 CB ASP A 50 -7.834 8.796 6.642 1.00 0.00 C ATOM 722 CG ASP A 50 -8.915 7.802 6.267 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.780 7.147 5.212 1.00 0.00 O ATOM 724 OD2 ASP A 50 -9.895 7.677 7.030 1.00 0.00 O ATOM 0 H ASP A 50 -6.014 10.482 6.751 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.591 9.429 4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.890 8.268 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.082 9.254 7.600 1.00 0.00 H new ATOM 729 N PRO A 51 -9.619 10.836 4.498 1.00 0.00 N ATOM 730 CA PRO A 51 -10.808 11.682 4.360 1.00 0.00 C ATOM 731 C PRO A 51 -11.952 11.225 5.259 1.00 0.00 C ATOM 732 O PRO A 51 -12.803 12.024 5.649 1.00 0.00 O ATOM 733 CB PRO A 51 -11.189 11.520 2.886 1.00 0.00 C ATOM 734 CG PRO A 51 -10.633 10.195 2.495 1.00 0.00 C ATOM 735 CD PRO A 51 -9.374 10.020 3.297 1.00 0.00 C ATOM 0 HA PRO A 51 -10.611 12.713 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.270 11.551 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.768 12.321 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.344 9.396 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.422 10.160 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.201 8.974 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.497 10.365 2.749 1.00 0.00 H new ATOM 743 N GLU A 52 -11.966 9.936 5.583 1.00 0.00 N ATOM 744 CA GLU A 52 -13.007 9.374 6.436 1.00 0.00 C ATOM 745 C GLU A 52 -12.696 9.622 7.909 1.00 0.00 C ATOM 746 O GLU A 52 -13.581 9.960 8.694 1.00 0.00 O ATOM 747 CB GLU A 52 -13.152 7.873 6.179 1.00 0.00 C ATOM 748 CG GLU A 52 -13.458 7.529 4.731 1.00 0.00 C ATOM 749 CD GLU A 52 -12.205 7.314 3.905 1.00 0.00 C ATOM 750 OE1 GLU A 52 -11.126 7.774 4.334 1.00 0.00 O ATOM 751 OE2 GLU A 52 -12.303 6.686 2.830 1.00 0.00 O ATOM 0 H GLU A 52 -11.269 9.261 5.268 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.947 9.869 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.231 7.372 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.947 7.480 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.070 6.628 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.048 8.331 4.288 1.00 0.00 H new ATOM 758 N LYS A 53 -11.430 9.451 8.277 1.00 0.00 N ATOM 759 CA LYS A 53 -11.000 9.656 9.655 1.00 0.00 C ATOM 760 C LYS A 53 -9.963 10.773 9.740 1.00 0.00 C ATOM 761 O LYS A 53 -8.757 10.530 9.785 1.00 0.00 O ATOM 762 CB LYS A 53 -10.419 8.362 10.227 1.00 0.00 C ATOM 763 CG LYS A 53 -11.450 7.263 10.415 1.00 0.00 C ATOM 764 CD LYS A 53 -10.892 6.106 11.227 1.00 0.00 C ATOM 765 CE LYS A 53 -11.536 4.786 10.833 1.00 0.00 C ATOM 766 NZ LYS A 53 -12.891 4.630 11.430 1.00 0.00 N ATOM 0 H LYS A 53 -10.684 9.171 7.640 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.871 9.947 10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.633 8.002 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.951 8.577 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.329 7.669 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.778 6.900 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.814 6.044 11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.059 6.291 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.609 4.727 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.900 3.961 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.296 3.718 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.819 4.660 12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.506 5.403 11.103 1.00 0.00 H new ATOM 780 N PRO A 54 -10.442 12.025 9.765 1.00 0.00 N ATOM 781 CA PRO A 54 -9.574 13.203 9.848 1.00 0.00 C ATOM 782 C PRO A 54 -8.898 13.331 11.209 1.00 0.00 C ATOM 783 O PRO A 54 -7.948 14.096 11.370 1.00 0.00 O ATOM 784 CB PRO A 54 -10.537 14.371 9.618 1.00 0.00 C ATOM 785 CG PRO A 54 -11.867 13.855 10.047 1.00 0.00 C ATOM 786 CD PRO A 54 -11.869 12.388 9.715 1.00 0.00 C ATOM 0 HA PRO A 54 -8.757 13.158 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.245 15.245 10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.549 14.674 8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.021 14.014 11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.673 14.374 9.528 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.455 11.814 10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.297 12.199 8.731 1.00 0.00 H new ATOM 794 N GLN A 55 -9.393 12.575 12.183 1.00 0.00 N ATOM 795 CA GLN A 55 -8.836 12.605 13.530 1.00 0.00 C ATOM 796 C GLN A 55 -7.406 12.073 13.540 1.00 0.00 C ATOM 797 O GLN A 55 -6.523 12.647 14.179 1.00 0.00 O ATOM 798 CB GLN A 55 -9.705 11.782 14.483 1.00 0.00 C ATOM 799 CG GLN A 55 -9.749 10.301 14.141 1.00 0.00 C ATOM 800 CD GLN A 55 -10.957 9.602 14.732 1.00 0.00 C ATOM 801 OE1 GLN A 55 -12.094 10.030 14.535 1.00 0.00 O ATOM 802 NE2 GLN A 55 -10.716 8.518 15.461 1.00 0.00 N ATOM 0 H GLN A 55 -10.178 11.935 12.065 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.821 13.642 13.866 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.328 11.901 15.499 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.720 12.179 14.471 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.759 10.182 13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.841 9.820 14.506 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.757 8.199 15.598 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.490 8.005 15.883 1.00 0.00 H new ATOM 811 N LEU A 56 -7.185 10.973 12.828 1.00 0.00 N ATOM 812 CA LEU A 56 -5.862 10.363 12.754 1.00 0.00 C ATOM 813 C LEU A 56 -4.839 11.347 12.196 1.00 0.00 C ATOM 814 O LEU A 56 -3.805 11.599 12.813 1.00 0.00 O ATOM 815 CB LEU A 56 -5.906 9.106 11.883 1.00 0.00 C ATOM 816 CG LEU A 56 -6.999 8.092 12.223 1.00 0.00 C ATOM 817 CD1 LEU A 56 -7.053 6.993 11.173 1.00 0.00 C ATOM 818 CD2 LEU A 56 -6.764 7.500 13.606 1.00 0.00 C ATOM 0 H LEU A 56 -7.905 10.486 12.294 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.559 10.087 13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.032 9.412 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.940 8.606 11.953 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.959 8.608 12.228 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.837 6.281 11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.268 7.431 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.093 6.478 11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.551 6.780 13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.796 6.999 13.628 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.776 8.297 14.350 1.00 0.00 H new ATOM 830 N GLY A 57 -5.136 11.901 11.025 1.00 0.00 N ATOM 831 CA GLY A 57 -4.233 12.853 10.404 1.00 0.00 C ATOM 832 C GLY A 57 -3.321 12.205 9.382 1.00 0.00 C ATOM 833 O GLY A 57 -3.776 11.448 8.525 1.00 0.00 O ATOM 0 H GLY A 57 -5.986 11.708 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.814 13.639 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.628 13.331 11.174 1.00 0.00 H new ATOM 837 N MET A 58 -2.029 12.503 9.471 1.00 0.00 N ATOM 838 CA MET A 58 -1.050 11.944 8.545 1.00 0.00 C ATOM 839 C MET A 58 -0.880 10.446 8.774 1.00 0.00 C ATOM 840 O MET A 58 -0.530 10.012 9.872 1.00 0.00 O ATOM 841 CB MET A 58 0.296 12.652 8.705 1.00 0.00 C ATOM 842 CG MET A 58 0.446 13.880 7.821 1.00 0.00 C ATOM 843 SD MET A 58 1.152 13.493 6.208 1.00 0.00 S ATOM 844 CE MET A 58 -0.065 12.344 5.572 1.00 0.00 C ATOM 0 H MET A 58 -1.635 13.128 10.174 1.00 0.00 H new ATOM 0 HA MET A 58 -1.416 12.099 7.530 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.420 12.947 9.747 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.097 11.949 8.475 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.530 14.345 7.684 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.079 14.610 8.325 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.154 12.123 4.527 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.033 11.422 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.058 12.787 5.648 1.00 0.00 H new ATOM 854 N ILE A 59 -1.131 9.661 7.732 1.00 0.00 N ATOM 855 CA ILE A 59 -1.004 8.211 7.820 1.00 0.00 C ATOM 856 C ILE A 59 -0.265 7.649 6.611 1.00 0.00 C ATOM 857 O ILE A 59 -0.076 8.340 5.609 1.00 0.00 O ATOM 858 CB ILE A 59 -2.382 7.531 7.927 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.258 7.914 6.731 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.062 7.914 9.232 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.383 6.937 6.469 1.00 0.00 C ATOM 0 H ILE A 59 -1.423 10.004 6.817 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.432 7.999 8.723 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.239 6.450 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.680 8.904 6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.633 7.983 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.035 7.426 9.293 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.443 7.596 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.196 8.995 9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.962 7.271 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.968 5.950 6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.031 6.885 7.344 1.00 0.00 H new ATOM 873 N ASP A 60 0.150 6.391 6.710 1.00 0.00 N ATOM 874 CA ASP A 60 0.866 5.734 5.623 1.00 0.00 C ATOM 875 C ASP A 60 0.083 4.533 5.103 1.00 0.00 C ATOM 876 O ASP A 60 -0.233 3.612 5.857 1.00 0.00 O ATOM 877 CB ASP A 60 2.253 5.290 6.093 1.00 0.00 C ATOM 878 CG ASP A 60 2.960 6.359 6.902 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.791 6.375 8.139 1.00 0.00 O ATOM 880 OD2 ASP A 60 3.681 7.181 6.298 1.00 0.00 O ATOM 0 H ASP A 60 0.003 5.806 7.532 1.00 0.00 H new ATOM 0 HA ASP A 60 0.978 6.451 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.157 4.387 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.862 5.032 5.226 1.00 0.00 H new ATOM 885 N ARG A 61 -0.229 4.550 3.811 1.00 0.00 N ATOM 886 CA ARG A 61 -0.977 3.463 3.192 1.00 0.00 C ATOM 887 C ARG A 61 -0.082 2.644 2.267 1.00 0.00 C ATOM 888 O ARG A 61 1.038 3.048 1.954 1.00 0.00 O ATOM 889 CB ARG A 61 -2.167 4.018 2.407 1.00 0.00 C ATOM 890 CG ARG A 61 -3.234 4.651 3.285 1.00 0.00 C ATOM 891 CD ARG A 61 -3.909 3.618 4.173 1.00 0.00 C ATOM 892 NE ARG A 61 -3.214 3.453 5.447 1.00 0.00 N ATOM 893 CZ ARG A 61 -3.756 2.870 6.510 1.00 0.00 C ATOM 894 NH1 ARG A 61 -4.994 2.399 6.453 1.00 0.00 N ATOM 895 NH2 ARG A 61 -3.059 2.757 7.634 1.00 0.00 N ATOM 0 H ARG A 61 0.025 5.304 3.173 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.344 2.811 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.807 4.760 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.617 3.212 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.784 5.427 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.981 5.137 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.940 3.918 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.945 2.661 3.653 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.260 3.805 5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.533 2.484 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.408 1.952 7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.106 3.118 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.476 2.309 8.450 1.00 0.00 H new ATOM 909 N TRP A 62 -0.583 1.493 1.834 1.00 0.00 N ATOM 910 CA TRP A 62 0.172 0.617 0.946 1.00 0.00 C ATOM 911 C TRP A 62 -0.694 0.143 -0.217 1.00 0.00 C ATOM 912 O TRP A 62 -1.915 0.051 -0.096 1.00 0.00 O ATOM 913 CB TRP A 62 0.711 -0.587 1.720 1.00 0.00 C ATOM 914 CG TRP A 62 1.632 -0.208 2.840 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.287 0.025 4.141 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.049 -0.018 2.758 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.405 0.350 4.873 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.498 0.329 4.048 1.00 0.00 C ATOM 919 CE3 TRP A 62 3.982 -0.110 1.722 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.838 0.585 4.325 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.311 0.146 1.999 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.730 0.489 3.291 1.00 0.00 C ATOM 0 H TRP A 62 -1.509 1.145 2.083 1.00 0.00 H new ATOM 0 HA TRP A 62 1.010 1.185 0.543 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.127 -1.155 2.124 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.240 -1.246 1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.284 -0.037 4.537 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.418 0.571 5.869 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.670 -0.376 0.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.162 0.850 5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.040 0.081 1.205 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.777 0.681 3.475 1.00 0.00 H new ATOM 933 N TYR A 63 -0.054 -0.157 -1.341 1.00 0.00 N ATOM 934 CA TYR A 63 -0.767 -0.620 -2.526 1.00 0.00 C ATOM 935 C TYR A 63 0.161 -1.404 -3.448 1.00 0.00 C ATOM 936 O TYR A 63 1.255 -0.948 -3.783 1.00 0.00 O ATOM 937 CB TYR A 63 -1.370 0.567 -3.280 1.00 0.00 C ATOM 938 CG TYR A 63 -2.270 1.431 -2.427 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.738 2.318 -1.499 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.652 1.361 -2.548 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.557 3.110 -0.717 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.479 2.150 -1.771 1.00 0.00 C ATOM 943 CZ TYR A 63 -3.926 3.023 -0.857 1.00 0.00 C ATOM 944 OH TYR A 63 -4.746 3.809 -0.080 1.00 0.00 O ATOM 0 H TYR A 63 0.957 -0.088 -1.457 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.570 -1.281 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.563 1.181 -3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.939 0.195 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.666 2.390 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.088 0.678 -3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.127 3.794 0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.552 2.084 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.682 3.626 -0.304 1.00 0.00 H new ATOM 954 N HIS A 64 -0.284 -2.589 -3.857 1.00 0.00 N ATOM 955 CA HIS A 64 0.505 -3.438 -4.742 1.00 0.00 C ATOM 956 C HIS A 64 0.957 -2.664 -5.977 1.00 0.00 C ATOM 957 O HIS A 64 0.274 -1.759 -6.457 1.00 0.00 O ATOM 958 CB HIS A 64 -0.305 -4.664 -5.163 1.00 0.00 C ATOM 959 CG HIS A 64 -0.950 -5.378 -4.016 1.00 0.00 C ATOM 960 ND1 HIS A 64 -2.190 -5.037 -3.518 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.521 -6.423 -3.269 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.495 -5.839 -2.513 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.499 -6.690 -2.342 1.00 0.00 N ATOM 0 H HIS A 64 -1.186 -2.982 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 64 1.390 -3.766 -4.196 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.077 -4.355 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.349 -5.358 -5.691 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.780 -4.283 -3.870 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.416 -6.949 -3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.404 -5.805 -1.931 1.00 0.00 H new ATOM 971 N PRO A 65 2.137 -3.026 -6.504 1.00 0.00 N ATOM 972 CA PRO A 65 2.706 -2.377 -7.689 1.00 0.00 C ATOM 973 C PRO A 65 1.693 -2.245 -8.821 1.00 0.00 C ATOM 974 O PRO A 65 1.736 -1.292 -9.597 1.00 0.00 O ATOM 975 CB PRO A 65 3.843 -3.318 -8.096 1.00 0.00 C ATOM 976 CG PRO A 65 4.234 -4.008 -6.834 1.00 0.00 C ATOM 977 CD PRO A 65 3.004 -4.096 -5.984 1.00 0.00 C ATOM 0 HA PRO A 65 3.031 -1.358 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.515 -4.031 -8.852 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.681 -2.766 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.629 -5.002 -7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.020 -3.455 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.528 -5.073 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.235 -3.946 -4.930 1.00 0.00 H new ATOM 985 N GLY A 66 0.781 -3.209 -8.908 1.00 0.00 N ATOM 986 CA GLY A 66 -0.230 -3.181 -9.949 1.00 0.00 C ATOM 987 C GLY A 66 -1.330 -2.179 -9.661 1.00 0.00 C ATOM 988 O GLY A 66 -1.918 -1.609 -10.581 1.00 0.00 O ATOM 0 H GLY A 66 0.724 -4.008 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.240 -2.936 -10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.666 -4.174 -10.055 1.00 0.00 H new ATOM 992 N CYS A 67 -1.612 -1.963 -8.380 1.00 0.00 N ATOM 993 CA CYS A 67 -2.650 -1.024 -7.972 1.00 0.00 C ATOM 994 C CYS A 67 -2.136 0.412 -8.024 1.00 0.00 C ATOM 995 O CYS A 67 -2.886 1.340 -8.326 1.00 0.00 O ATOM 996 CB CYS A 67 -3.138 -1.353 -6.560 1.00 0.00 C ATOM 997 SG CYS A 67 -3.608 -3.097 -6.322 1.00 0.00 S ATOM 0 H CYS A 67 -1.135 -2.426 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.484 -1.117 -8.668 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.353 -1.099 -5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.996 -0.722 -6.327 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.541 -3.176 -5.420 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.853 0.586 -7.727 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.238 1.908 -7.739 1.00 0.00 C ATOM 1004 C PHE A 68 -0.365 2.555 -9.115 1.00 0.00 C ATOM 1005 O PHE A 68 -0.499 3.773 -9.230 1.00 0.00 O ATOM 1006 CB PHE A 68 1.237 1.812 -7.342 1.00 0.00 C ATOM 1007 CG PHE A 68 1.859 3.140 -7.022 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.412 3.888 -5.944 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.892 3.641 -7.797 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.983 5.111 -5.648 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.467 4.864 -7.505 1.00 0.00 C ATOM 1012 CZ PHE A 68 3.013 5.599 -6.428 1.00 0.00 C ATOM 0 H PHE A 68 -0.219 -0.172 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.762 2.531 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.330 1.158 -6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.794 1.345 -8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.609 3.511 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.253 3.069 -8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.624 5.685 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.270 5.244 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.462 6.553 -6.196 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.322 1.730 -10.156 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.433 2.220 -11.525 1.00 0.00 C ATOM 1024 C VAL A 69 -1.886 2.502 -11.892 1.00 0.00 C ATOM 1025 O VAL A 69 -2.217 3.584 -12.376 1.00 0.00 O ATOM 1026 CB VAL A 69 0.153 1.212 -12.531 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.143 1.793 -13.937 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.562 0.809 -12.122 1.00 0.00 C ATOM 0 H VAL A 69 -0.211 0.719 -10.078 1.00 0.00 H new ATOM 0 HA VAL A 69 0.138 3.147 -11.577 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.471 0.318 -12.529 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.561 1.066 -14.634 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.881 2.026 -14.227 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.743 2.703 -13.959 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.961 0.096 -12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.200 1.693 -12.094 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.537 0.349 -11.134 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.750 1.520 -11.657 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.169 1.661 -11.961 1.00 0.00 C ATOM 1040 C LYS A 70 -4.758 2.879 -11.256 1.00 0.00 C ATOM 1041 O LYS A 70 -5.495 3.660 -11.857 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.929 0.400 -11.543 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.773 -0.754 -12.518 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.894 -1.769 -12.365 1.00 0.00 C ATOM 1045 CE LYS A 70 -7.197 -1.253 -12.955 1.00 0.00 C ATOM 1046 NZ LYS A 70 -8.316 -2.215 -12.754 1.00 0.00 N ATOM 0 H LYS A 70 -2.492 0.618 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.272 1.800 -13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.580 0.084 -10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.988 0.640 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.765 -0.371 -13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.813 -1.243 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.613 -2.700 -12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.037 -1.998 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.451 -0.298 -12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.065 -1.067 -14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.187 -1.827 -13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.085 -3.118 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.459 -2.373 -11.736 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.427 3.035 -9.978 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.923 4.159 -9.192 1.00 0.00 C ATOM 1062 C ASN A 71 -3.884 5.274 -9.122 1.00 0.00 C ATOM 1063 O ASN A 71 -3.877 6.072 -8.184 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.289 3.698 -7.780 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.083 2.406 -7.781 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -5.691 1.423 -7.151 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -7.205 2.402 -8.490 1.00 0.00 N ATOM 0 H ASN A 71 -3.818 2.398 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.815 4.548 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.378 3.561 -7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.869 4.477 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.781 1.561 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.491 3.240 -8.997 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.008 5.323 -10.120 1.00 0.00 N ATOM 1075 CA ARG A 72 -1.964 6.339 -10.171 1.00 0.00 C ATOM 1076 C ARG A 72 -2.570 7.738 -10.229 1.00 0.00 C ATOM 1077 O ARG A 72 -2.144 8.640 -9.508 1.00 0.00 O ATOM 1078 CB ARG A 72 -1.061 6.113 -11.385 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.767 6.318 -12.716 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.947 5.766 -13.872 1.00 0.00 C ATOM 1081 NE ARG A 72 -1.360 6.330 -15.154 1.00 0.00 N ATOM 1082 CZ ARG A 72 -1.040 5.798 -16.328 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -0.307 4.695 -16.382 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -1.453 6.370 -17.452 1.00 0.00 N ATOM 0 H ARG A 72 -3.001 4.671 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.367 6.257 -9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.211 6.792 -11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.662 5.099 -11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.740 5.828 -12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.949 7.381 -12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.108 5.982 -13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.049 4.681 -13.903 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.925 7.179 -15.147 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.013 4.253 -15.520 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.063 4.289 -17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.017 7.219 -17.415 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.207 5.960 -18.353 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.567 7.911 -11.092 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.230 9.201 -11.244 1.00 0.00 C ATOM 1100 C GLU A 73 -5.156 9.479 -10.063 1.00 0.00 C ATOM 1101 O GLU A 73 -5.128 10.563 -9.482 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.025 9.240 -12.550 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.181 8.975 -13.785 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.739 9.642 -15.028 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -5.700 9.099 -15.611 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -4.214 10.706 -15.417 1.00 0.00 O ATOM 0 H GLU A 73 -3.933 7.175 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.462 9.974 -11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.824 8.500 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.500 10.216 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.166 9.332 -13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.116 7.900 -13.952 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.976 8.492 -9.716 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.911 8.631 -8.606 1.00 0.00 C ATOM 1115 C GLU A 74 -6.186 9.064 -7.335 1.00 0.00 C ATOM 1116 O GLU A 74 -6.641 9.960 -6.623 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.647 7.312 -8.362 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.926 7.468 -7.556 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.876 8.484 -8.160 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -10.658 8.104 -9.057 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -9.838 9.658 -7.737 1.00 0.00 O ATOM 0 H GLU A 74 -6.012 7.588 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.637 9.400 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.886 6.856 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.981 6.625 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.428 6.503 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.676 7.770 -6.539 1.00 0.00 H new ATOM 1128 N LEU A 75 -5.058 8.421 -7.056 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.269 8.739 -5.871 1.00 0.00 C ATOM 1130 C LEU A 75 -3.649 10.128 -5.986 1.00 0.00 C ATOM 1131 O LEU A 75 -3.533 10.851 -4.997 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.172 7.693 -5.669 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.629 6.336 -5.132 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.517 5.307 -5.265 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -4.073 6.459 -3.681 1.00 0.00 C ATOM 0 H LEU A 75 -4.669 7.676 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.935 8.729 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.670 7.533 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.430 8.102 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.480 6.000 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.861 4.348 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.246 5.198 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.647 5.636 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.395 5.484 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.241 6.817 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.902 7.164 -3.613 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.252 10.495 -7.201 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.651 11.797 -7.423 1.00 0.00 C ATOM 1149 C GLY A 76 -1.154 11.713 -7.646 1.00 0.00 C ATOM 1150 O GLY A 76 -0.392 12.512 -7.102 1.00 0.00 O ATOM 0 H GLY A 76 -3.336 9.914 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.118 12.267 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.852 12.438 -6.565 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.730 10.741 -8.447 1.00 0.00 N ATOM 1155 CA PHE A 77 0.686 10.553 -8.739 1.00 0.00 C ATOM 1156 C PHE A 77 1.103 11.370 -9.959 1.00 0.00 C ATOM 1157 O PHE A 77 0.825 10.992 -11.097 1.00 0.00 O ATOM 1158 CB PHE A 77 0.988 9.072 -8.976 1.00 0.00 C ATOM 1159 CG PHE A 77 2.447 8.733 -8.866 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.154 9.023 -7.710 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.112 8.123 -9.917 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.496 8.712 -7.606 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.455 7.810 -9.819 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.147 8.104 -8.661 1.00 0.00 C ATOM 0 H PHE A 77 -1.347 10.071 -8.906 1.00 0.00 H new ATOM 0 HA PHE A 77 1.258 10.900 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.429 8.475 -8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.631 8.791 -9.967 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.650 9.498 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.575 7.889 -10.824 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.036 8.944 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.962 7.336 -10.647 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.196 7.859 -8.581 1.00 0.00 H new ATOM 1174 N ARG A 78 1.770 12.493 -9.712 1.00 0.00 N ATOM 1175 CA ARG A 78 2.224 13.365 -10.788 1.00 0.00 C ATOM 1176 C ARG A 78 3.211 12.638 -11.697 1.00 0.00 C ATOM 1177 O ARG A 78 3.907 11.710 -11.284 1.00 0.00 O ATOM 1178 CB ARG A 78 2.876 14.624 -10.213 1.00 0.00 C ATOM 1179 CG ARG A 78 1.954 15.431 -9.315 1.00 0.00 C ATOM 1180 CD ARG A 78 0.855 16.113 -10.114 1.00 0.00 C ATOM 1181 NE ARG A 78 -0.071 16.848 -9.256 1.00 0.00 N ATOM 1182 CZ ARG A 78 -1.245 17.312 -9.669 1.00 0.00 C ATOM 1183 NH1 ARG A 78 -1.635 17.119 -10.922 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -2.032 17.971 -8.828 1.00 0.00 N ATOM 0 H ARG A 78 2.008 12.820 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 78 1.355 13.652 -11.380 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.762 14.338 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.214 15.256 -11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.508 14.776 -8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.533 16.181 -8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.302 16.798 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.304 15.365 -10.685 1.00 0.00 H new ATOM 0 HE ARG A 78 0.199 17.014 -8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.033 16.613 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.537 17.477 -11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.735 18.122 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.933 18.327 -9.146 1.00 0.00 H new ATOM 1198 N PRO A 79 3.273 13.067 -12.967 1.00 0.00 N ATOM 1199 CA PRO A 79 4.171 12.471 -13.961 1.00 0.00 C ATOM 1200 C PRO A 79 5.637 12.784 -13.680 1.00 0.00 C ATOM 1201 O PRO A 79 6.532 12.198 -14.286 1.00 0.00 O ATOM 1202 CB PRO A 79 3.728 13.122 -15.274 1.00 0.00 C ATOM 1203 CG PRO A 79 3.112 14.416 -14.867 1.00 0.00 C ATOM 1204 CD PRO A 79 2.473 14.168 -13.529 1.00 0.00 C ATOM 0 HA PRO A 79 4.109 11.383 -13.966 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.574 13.280 -15.943 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.014 12.494 -15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.864 15.202 -14.801 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.373 14.743 -15.598 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.509 15.055 -12.896 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.424 13.891 -13.630 1.00 0.00 H new ATOM 1212 N GLU A 80 5.873 13.712 -12.756 1.00 0.00 N ATOM 1213 CA GLU A 80 7.231 14.102 -12.396 1.00 0.00 C ATOM 1214 C GLU A 80 7.863 13.073 -11.463 1.00 0.00 C ATOM 1215 O GLU A 80 9.080 13.054 -11.276 1.00 0.00 O ATOM 1216 CB GLU A 80 7.230 15.478 -11.729 1.00 0.00 C ATOM 1217 CG GLU A 80 6.664 15.471 -10.319 1.00 0.00 C ATOM 1218 CD GLU A 80 6.047 16.801 -9.931 1.00 0.00 C ATOM 1219 OE1 GLU A 80 6.777 17.661 -9.397 1.00 0.00 O ATOM 1220 OE2 GLU A 80 4.833 16.981 -10.162 1.00 0.00 O ATOM 0 H GLU A 80 5.142 14.206 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 80 7.822 14.150 -13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.251 15.859 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.650 16.169 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.910 14.688 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.458 15.224 -9.614 1.00 0.00 H new ATOM 1227 N TYR A 81 7.028 12.219 -10.881 1.00 0.00 N ATOM 1228 CA TYR A 81 7.504 11.189 -9.966 1.00 0.00 C ATOM 1229 C TYR A 81 7.771 9.882 -10.707 1.00 0.00 C ATOM 1230 O TYR A 81 6.930 9.404 -11.468 1.00 0.00 O ATOM 1231 CB TYR A 81 6.483 10.957 -8.851 1.00 0.00 C ATOM 1232 CG TYR A 81 5.848 12.229 -8.337 1.00 0.00 C ATOM 1233 CD1 TYR A 81 6.577 13.409 -8.256 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.519 12.251 -7.932 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.001 14.574 -7.786 1.00 0.00 C ATOM 1236 CE2 TYR A 81 3.935 13.411 -7.462 1.00 0.00 C ATOM 1237 CZ TYR A 81 4.680 14.570 -7.391 1.00 0.00 C ATOM 1238 OH TYR A 81 4.102 15.728 -6.923 1.00 0.00 O ATOM 0 H TYR A 81 6.018 12.220 -11.027 1.00 0.00 H new ATOM 0 HA TYR A 81 8.440 11.534 -9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.701 10.293 -9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.972 10.445 -8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.612 13.416 -8.566 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.933 11.346 -7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.582 15.482 -7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.901 13.411 -7.152 1.00 0.00 H new ATOM 0 HH TYR A 81 3.167 15.555 -6.688 1.00 0.00 H new ATOM 1248 N SER A 82 8.947 9.309 -10.477 1.00 0.00 N ATOM 1249 CA SER A 82 9.328 8.059 -11.124 1.00 0.00 C ATOM 1250 C SER A 82 9.735 7.013 -10.090 1.00 0.00 C ATOM 1251 O SER A 82 9.824 7.306 -8.898 1.00 0.00 O ATOM 1252 CB SER A 82 10.478 8.297 -12.105 1.00 0.00 C ATOM 1253 OG SER A 82 11.556 8.965 -11.474 1.00 0.00 O ATOM 0 H SER A 82 9.653 9.690 -9.847 1.00 0.00 H new ATOM 0 HA SER A 82 8.463 7.685 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.822 7.343 -12.506 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.124 8.888 -12.949 1.00 0.00 H new ATOM 0 HG SER A 82 12.279 9.104 -12.121 1.00 0.00 H new ATOM 1259 N ALA A 83 9.981 5.793 -10.556 1.00 0.00 N ATOM 1260 CA ALA A 83 10.381 4.705 -9.674 1.00 0.00 C ATOM 1261 C ALA A 83 11.747 4.975 -9.052 1.00 0.00 C ATOM 1262 O ALA A 83 11.992 4.633 -7.895 1.00 0.00 O ATOM 1263 CB ALA A 83 10.397 3.387 -10.435 1.00 0.00 C ATOM 0 H ALA A 83 9.910 5.534 -11.540 1.00 0.00 H new ATOM 0 HA ALA A 83 9.651 4.638 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.698 2.583 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.401 3.180 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.104 3.453 -11.262 1.00 0.00 H new ATOM 1269 N SER A 84 12.634 5.591 -9.827 1.00 0.00 N ATOM 1270 CA SER A 84 13.977 5.903 -9.353 1.00 0.00 C ATOM 1271 C SER A 84 13.923 6.683 -8.043 1.00 0.00 C ATOM 1272 O SER A 84 14.760 6.493 -7.161 1.00 0.00 O ATOM 1273 CB SER A 84 14.738 6.708 -10.408 1.00 0.00 C ATOM 1274 OG SER A 84 15.148 5.881 -11.483 1.00 0.00 O ATOM 0 H SER A 84 12.447 5.884 -10.786 1.00 0.00 H new ATOM 0 HA SER A 84 14.501 4.964 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.104 7.511 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.610 7.177 -9.953 1.00 0.00 H new ATOM 0 HG SER A 84 15.166 4.947 -11.188 1.00 0.00 H new ATOM 1280 N GLN A 85 12.932 7.561 -7.925 1.00 0.00 N ATOM 1281 CA GLN A 85 12.769 8.371 -6.723 1.00 0.00 C ATOM 1282 C GLN A 85 12.215 7.535 -5.575 1.00 0.00 C ATOM 1283 O GLN A 85 12.565 7.746 -4.413 1.00 0.00 O ATOM 1284 CB GLN A 85 11.842 9.555 -7.002 1.00 0.00 C ATOM 1285 CG GLN A 85 12.474 10.632 -7.869 1.00 0.00 C ATOM 1286 CD GLN A 85 11.695 11.932 -7.845 1.00 0.00 C ATOM 1287 OE1 GLN A 85 11.975 12.771 -6.854 1.00 0.00 O flip ATOM 1288 NE2 GLN A 85 10.852 12.181 -8.707 1.00 0.00 N flip ATOM 0 H GLN A 85 12.231 7.730 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 85 13.750 8.748 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.938 9.191 -7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.536 9.997 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.492 10.817 -7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.542 10.273 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.669 11.507 -9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.337 13.061 -8.677 1.00 0.00 H new ATOM 1297 N LEU A 86 11.347 6.585 -5.906 1.00 0.00 N ATOM 1298 CA LEU A 86 10.742 5.717 -4.902 1.00 0.00 C ATOM 1299 C LEU A 86 11.811 5.078 -4.021 1.00 0.00 C ATOM 1300 O LEU A 86 12.556 4.204 -4.464 1.00 0.00 O ATOM 1301 CB LEU A 86 9.905 4.629 -5.578 1.00 0.00 C ATOM 1302 CG LEU A 86 8.733 5.117 -6.430 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.032 3.943 -7.096 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.753 5.914 -5.582 1.00 0.00 C ATOM 0 H LEU A 86 11.046 6.396 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 86 10.094 6.327 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.563 4.032 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.516 3.966 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 86 9.123 5.771 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.201 4.310 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.738 3.413 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.655 3.264 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.925 6.253 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.369 5.283 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.262 6.777 -5.153 1.00 0.00 H new ATOM 1316 N LYS A 87 11.879 5.518 -2.769 1.00 0.00 N ATOM 1317 CA LYS A 87 12.853 4.988 -1.823 1.00 0.00 C ATOM 1318 C LYS A 87 12.903 3.465 -1.890 1.00 0.00 C ATOM 1319 O LYS A 87 11.925 2.787 -1.579 1.00 0.00 O ATOM 1320 CB LYS A 87 12.508 5.435 -0.400 1.00 0.00 C ATOM 1321 CG LYS A 87 13.157 6.750 -0.002 1.00 0.00 C ATOM 1322 CD LYS A 87 13.436 6.804 1.490 1.00 0.00 C ATOM 1323 CE LYS A 87 12.181 7.138 2.281 1.00 0.00 C ATOM 1324 NZ LYS A 87 12.382 6.956 3.745 1.00 0.00 N ATOM 0 H LYS A 87 11.270 6.241 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 87 13.834 5.379 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.426 5.532 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.818 4.660 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.089 6.878 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.505 7.578 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.832 5.844 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.203 7.552 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.889 8.169 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.361 6.503 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.504 7.194 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.636 5.967 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.147 7.580 4.071 1.00 0.00 H new ATOM 1338 N GLY A 88 14.052 2.932 -2.297 1.00 0.00 N ATOM 1339 CA GLY A 88 14.208 1.493 -2.396 1.00 0.00 C ATOM 1340 C GLY A 88 14.538 1.041 -3.805 1.00 0.00 C ATOM 1341 O GLY A 88 15.290 0.086 -3.999 1.00 0.00 O ATOM 0 H GLY A 88 14.877 3.472 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.999 1.169 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.289 1.008 -2.068 1.00 0.00 H new ATOM 1345 N PHE A 89 13.973 1.728 -4.793 1.00 0.00 N ATOM 1346 CA PHE A 89 14.208 1.390 -6.191 1.00 0.00 C ATOM 1347 C PHE A 89 15.675 1.042 -6.427 1.00 0.00 C ATOM 1348 O PHE A 89 16.002 -0.071 -6.838 1.00 0.00 O ATOM 1349 CB PHE A 89 13.797 2.554 -7.096 1.00 0.00 C ATOM 1350 CG PHE A 89 13.967 2.265 -8.560 1.00 0.00 C ATOM 1351 CD1 PHE A 89 12.985 1.586 -9.264 1.00 0.00 C ATOM 1352 CD2 PHE A 89 15.108 2.672 -9.232 1.00 0.00 C ATOM 1353 CE1 PHE A 89 13.140 1.318 -10.611 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.267 2.408 -10.579 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.282 1.730 -11.270 1.00 0.00 C ATOM 0 H PHE A 89 13.349 2.522 -4.650 1.00 0.00 H new ATOM 0 HA PHE A 89 13.601 0.518 -6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.754 2.804 -6.902 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.388 3.432 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 89 12.089 1.263 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.882 3.202 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.368 0.787 -11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.161 2.732 -11.091 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.404 1.522 -12.323 1.00 0.00 H new ATOM 1365 N SER A 90 16.555 2.004 -6.165 1.00 0.00 N ATOM 1366 CA SER A 90 17.987 1.802 -6.353 1.00 0.00 C ATOM 1367 C SER A 90 18.453 0.531 -5.650 1.00 0.00 C ATOM 1368 O SER A 90 19.436 -0.091 -6.053 1.00 0.00 O ATOM 1369 CB SER A 90 18.767 3.007 -5.823 1.00 0.00 C ATOM 1370 OG SER A 90 20.164 2.793 -5.921 1.00 0.00 O ATOM 0 H SER A 90 16.301 2.930 -5.822 1.00 0.00 H new ATOM 0 HA SER A 90 18.177 1.696 -7.421 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.492 3.899 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.496 3.191 -4.783 1.00 0.00 H new ATOM 0 HG SER A 90 20.640 3.578 -5.577 1.00 0.00 H new ATOM 1376 N LEU A 91 17.740 0.150 -4.595 1.00 0.00 N ATOM 1377 CA LEU A 91 18.079 -1.047 -3.834 1.00 0.00 C ATOM 1378 C LEU A 91 17.519 -2.296 -4.507 1.00 0.00 C ATOM 1379 O LEU A 91 18.174 -3.339 -4.547 1.00 0.00 O ATOM 1380 CB LEU A 91 17.540 -0.937 -2.407 1.00 0.00 C ATOM 1381 CG LEU A 91 17.947 0.315 -1.630 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.225 0.372 -0.293 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.455 0.348 -1.425 1.00 0.00 C ATOM 0 H LEU A 91 16.924 0.653 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 91 19.165 -1.131 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.451 -0.977 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.871 -1.811 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 91 17.659 1.190 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.527 1.270 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.148 0.395 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.481 -0.508 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.727 1.246 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.765 -0.533 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.954 0.355 -2.394 1.00 0.00 H new ATOM 1395 N LEU A 92 16.306 -2.184 -5.036 1.00 0.00 N ATOM 1396 CA LEU A 92 15.658 -3.304 -5.709 1.00 0.00 C ATOM 1397 C LEU A 92 16.596 -3.942 -6.729 1.00 0.00 C ATOM 1398 O LEU A 92 17.430 -3.264 -7.329 1.00 0.00 O ATOM 1399 CB LEU A 92 14.376 -2.837 -6.400 1.00 0.00 C ATOM 1400 CG LEU A 92 13.336 -2.165 -5.503 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.187 -1.617 -6.335 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.820 -3.145 -4.459 1.00 0.00 C ATOM 0 H LEU A 92 15.751 -1.329 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 92 15.406 -4.052 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.648 -2.140 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.911 -3.699 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 92 13.813 -1.332 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.457 -1.143 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.569 -0.883 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.710 -2.433 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.081 -2.650 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.359 -3.998 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.650 -3.490 -3.842 1.00 0.00 H new ATOM 1414 N ALA A 93 16.451 -5.249 -6.922 1.00 0.00 N ATOM 1415 CA ALA A 93 17.282 -5.977 -7.872 1.00 0.00 C ATOM 1416 C ALA A 93 17.046 -5.487 -9.297 1.00 0.00 C ATOM 1417 O ALA A 93 15.904 -5.333 -9.731 1.00 0.00 O ATOM 1418 CB ALA A 93 17.010 -7.471 -7.775 1.00 0.00 C ATOM 0 H ALA A 93 15.766 -5.825 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 93 18.326 -5.791 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.638 -8.002 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.236 -7.817 -6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.961 -7.665 -7.999 1.00 0.00 H new ATOM 1424 N THR A 94 18.133 -5.241 -10.021 1.00 0.00 N ATOM 1425 CA THR A 94 18.044 -4.766 -11.396 1.00 0.00 C ATOM 1426 C THR A 94 16.827 -5.351 -12.103 1.00 0.00 C ATOM 1427 O THR A 94 15.897 -4.628 -12.456 1.00 0.00 O ATOM 1428 CB THR A 94 19.310 -5.124 -12.197 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.479 -4.810 -11.432 1.00 0.00 O ATOM 1430 CG2 THR A 94 19.346 -4.370 -13.518 1.00 0.00 C ATOM 0 H THR A 94 19.086 -5.363 -9.678 1.00 0.00 H new ATOM 0 HA THR A 94 17.947 -3.681 -11.349 1.00 0.00 H new ATOM 0 HB THR A 94 19.290 -6.193 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.279 -5.042 -11.948 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.249 -4.639 -14.066 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.470 -4.633 -14.111 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.345 -3.297 -13.325 1.00 0.00 H new ATOM 1438 N GLU A 95 16.841 -6.665 -12.304 1.00 0.00 N ATOM 1439 CA GLU A 95 15.737 -7.347 -12.970 1.00 0.00 C ATOM 1440 C GLU A 95 14.398 -6.737 -12.565 1.00 0.00 C ATOM 1441 O GLU A 95 13.545 -6.467 -13.412 1.00 0.00 O ATOM 1442 CB GLU A 95 15.752 -8.839 -12.632 1.00 0.00 C ATOM 1443 CG GLU A 95 15.504 -9.133 -11.162 1.00 0.00 C ATOM 1444 CD GLU A 95 15.741 -10.589 -10.810 1.00 0.00 C ATOM 1445 OE1 GLU A 95 16.918 -10.998 -10.736 1.00 0.00 O ATOM 1446 OE2 GLU A 95 14.748 -11.320 -10.609 1.00 0.00 O ATOM 0 H GLU A 95 17.604 -7.278 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 95 15.863 -7.224 -14.046 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.993 -9.346 -13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.716 -9.258 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.156 -8.505 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.478 -8.864 -10.910 1.00 0.00 H new ATOM 1453 N ASP A 96 14.221 -6.522 -11.266 1.00 0.00 N ATOM 1454 CA ASP A 96 12.987 -5.943 -10.748 1.00 0.00 C ATOM 1455 C ASP A 96 12.889 -4.463 -11.106 1.00 0.00 C ATOM 1456 O ASP A 96 11.878 -4.007 -11.640 1.00 0.00 O ATOM 1457 CB ASP A 96 12.913 -6.120 -9.231 1.00 0.00 C ATOM 1458 CG ASP A 96 12.871 -7.578 -8.820 1.00 0.00 C ATOM 1459 OD1 ASP A 96 12.047 -8.329 -9.382 1.00 0.00 O ATOM 1460 OD2 ASP A 96 13.661 -7.968 -7.935 1.00 0.00 O ATOM 0 H ASP A 96 14.917 -6.740 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 96 12.148 -6.466 -11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.776 -5.640 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.026 -5.613 -8.852 1.00 0.00 H new ATOM 1465 N LYS A 97 13.946 -3.716 -10.806 1.00 0.00 N ATOM 1466 CA LYS A 97 13.981 -2.287 -11.095 1.00 0.00 C ATOM 1467 C LYS A 97 13.323 -1.988 -12.438 1.00 0.00 C ATOM 1468 O LYS A 97 12.371 -1.212 -12.513 1.00 0.00 O ATOM 1469 CB LYS A 97 15.425 -1.782 -11.098 1.00 0.00 C ATOM 1470 CG LYS A 97 16.179 -2.084 -9.814 1.00 0.00 C ATOM 1471 CD LYS A 97 17.618 -1.601 -9.885 1.00 0.00 C ATOM 1472 CE LYS A 97 17.750 -0.169 -9.388 1.00 0.00 C ATOM 1473 NZ LYS A 97 18.865 0.551 -10.063 1.00 0.00 N ATOM 0 H LYS A 97 14.791 -4.077 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 97 13.424 -1.769 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.957 -2.233 -11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.424 -0.705 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.675 -1.606 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.164 -3.158 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.252 -2.255 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.974 -1.665 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.815 0.364 -9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.919 -0.172 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.922 1.523 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.761 0.057 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.692 0.577 -11.088 1.00 0.00 H new ATOM 1487 N GLU A 98 13.837 -2.608 -13.495 1.00 0.00 N ATOM 1488 CA GLU A 98 13.298 -2.407 -14.835 1.00 0.00 C ATOM 1489 C GLU A 98 11.786 -2.610 -14.849 1.00 0.00 C ATOM 1490 O GLU A 98 11.042 -1.780 -15.371 1.00 0.00 O ATOM 1491 CB GLU A 98 13.962 -3.366 -15.825 1.00 0.00 C ATOM 1492 CG GLU A 98 15.453 -3.128 -15.998 1.00 0.00 C ATOM 1493 CD GLU A 98 16.104 -4.145 -16.914 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.915 -4.043 -18.144 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.803 -5.044 -16.401 1.00 0.00 O ATOM 0 H GLU A 98 14.626 -3.253 -13.450 1.00 0.00 H new ATOM 0 HA GLU A 98 13.512 -1.381 -15.135 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.803 -4.390 -15.488 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.473 -3.270 -16.794 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.613 -2.128 -16.400 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.938 -3.161 -15.022 1.00 0.00 H new ATOM 1502 N ALA A 99 11.339 -3.721 -14.272 1.00 0.00 N ATOM 1503 CA ALA A 99 9.916 -4.034 -14.217 1.00 0.00 C ATOM 1504 C ALA A 99 9.100 -2.808 -13.822 1.00 0.00 C ATOM 1505 O ALA A 99 8.079 -2.503 -14.441 1.00 0.00 O ATOM 1506 CB ALA A 99 9.664 -5.174 -13.241 1.00 0.00 C ATOM 0 H ALA A 99 11.942 -4.419 -13.836 1.00 0.00 H new ATOM 0 HA ALA A 99 9.599 -4.345 -15.212 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.598 -5.397 -13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.211 -6.059 -13.566 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.003 -4.883 -12.247 1.00 0.00 H new ATOM 1512 N LEU A 100 9.555 -2.107 -12.789 1.00 0.00 N ATOM 1513 CA LEU A 100 8.866 -0.913 -12.311 1.00 0.00 C ATOM 1514 C LEU A 100 8.972 0.220 -13.327 1.00 0.00 C ATOM 1515 O LEU A 100 7.977 0.864 -13.661 1.00 0.00 O ATOM 1516 CB LEU A 100 9.448 -0.467 -10.969 1.00 0.00 C ATOM 1517 CG LEU A 100 9.059 -1.312 -9.755 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.822 -0.855 -8.521 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.559 -1.240 -9.514 1.00 0.00 C ATOM 0 H LEU A 100 10.398 -2.345 -12.266 1.00 0.00 H new ATOM 0 HA LEU A 100 7.813 -1.160 -12.178 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.535 -0.463 -11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.138 0.562 -10.785 1.00 0.00 H new ATOM 0 HG LEU A 100 9.324 -2.350 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.533 -1.467 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.893 -0.959 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.588 0.189 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.300 -1.847 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.269 -0.205 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.031 -1.616 -10.390 1.00 0.00 H new ATOM 1531 N LYS A 101 10.185 0.458 -13.815 1.00 0.00 N ATOM 1532 CA LYS A 101 10.422 1.511 -14.796 1.00 0.00 C ATOM 1533 C LYS A 101 9.351 1.495 -15.881 1.00 0.00 C ATOM 1534 O LYS A 101 8.761 2.527 -16.201 1.00 0.00 O ATOM 1535 CB LYS A 101 11.806 1.345 -15.427 1.00 0.00 C ATOM 1536 CG LYS A 101 12.949 1.672 -14.482 1.00 0.00 C ATOM 1537 CD LYS A 101 14.299 1.432 -15.137 1.00 0.00 C ATOM 1538 CE LYS A 101 14.703 2.600 -16.024 1.00 0.00 C ATOM 1539 NZ LYS A 101 15.137 3.780 -15.226 1.00 0.00 N ATOM 0 H LYS A 101 11.019 -0.064 -13.547 1.00 0.00 H new ATOM 0 HA LYS A 101 10.377 2.471 -14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.916 0.318 -15.775 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.876 1.988 -16.304 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.876 2.713 -14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.866 1.061 -13.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.056 1.279 -14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.259 0.519 -15.731 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.513 2.291 -16.685 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.863 2.881 -16.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.607 4.467 -15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.307 4.225 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.800 3.474 -14.486 1.00 0.00 H new ATOM 1553 N LYS A 102 9.103 0.317 -16.444 1.00 0.00 N ATOM 1554 CA LYS A 102 8.100 0.166 -17.492 1.00 0.00 C ATOM 1555 C LYS A 102 6.742 0.677 -17.024 1.00 0.00 C ATOM 1556 O LYS A 102 6.121 1.510 -17.684 1.00 0.00 O ATOM 1557 CB LYS A 102 7.988 -1.302 -17.911 1.00 0.00 C ATOM 1558 CG LYS A 102 9.126 -1.769 -18.803 1.00 0.00 C ATOM 1559 CD LYS A 102 8.712 -2.954 -19.659 1.00 0.00 C ATOM 1560 CE LYS A 102 7.790 -2.528 -20.792 1.00 0.00 C ATOM 1561 NZ LYS A 102 7.453 -3.667 -21.690 1.00 0.00 N ATOM 0 H LYS A 102 9.583 -0.547 -16.192 1.00 0.00 H new ATOM 0 HA LYS A 102 8.415 0.760 -18.350 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.959 -1.925 -17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.043 -1.451 -18.434 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.446 -0.949 -19.446 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.982 -2.045 -18.188 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.599 -3.434 -20.072 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.209 -3.695 -19.038 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.873 -2.109 -20.377 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.267 -1.738 -21.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.823 -3.336 -22.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.325 -4.051 -22.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.975 -4.411 -21.143 1.00 0.00 H new ATOM 1575 N GLN A 103 6.287 0.173 -15.881 1.00 0.00 N ATOM 1576 CA GLN A 103 5.002 0.581 -15.325 1.00 0.00 C ATOM 1577 C GLN A 103 4.955 2.090 -15.113 1.00 0.00 C ATOM 1578 O GLN A 103 4.011 2.758 -15.537 1.00 0.00 O ATOM 1579 CB GLN A 103 4.744 -0.140 -14.001 1.00 0.00 C ATOM 1580 CG GLN A 103 4.152 -1.530 -14.170 1.00 0.00 C ATOM 1581 CD GLN A 103 3.324 -1.962 -12.976 1.00 0.00 C ATOM 1582 OE1 GLN A 103 2.043 -2.225 -13.208 1.00 0.00 O flip ATOM 1583 NE2 GLN A 103 3.829 -2.057 -11.857 1.00 0.00 N flip ATOM 0 H GLN A 103 6.789 -0.518 -15.323 1.00 0.00 H new ATOM 0 HA GLN A 103 4.223 0.308 -16.037 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.682 -0.218 -13.451 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.068 0.463 -13.395 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.530 -1.549 -15.065 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.958 -2.247 -14.327 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.818 -1.845 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.258 -2.348 -11.063 1.00 0.00 H new ATOM 1592 N LEU A 104 5.978 2.623 -14.454 1.00 0.00 N ATOM 1593 CA LEU A 104 6.053 4.055 -14.185 1.00 0.00 C ATOM 1594 C LEU A 104 7.182 4.700 -14.983 1.00 0.00 C ATOM 1595 O LEU A 104 8.282 4.925 -14.478 1.00 0.00 O ATOM 1596 CB LEU A 104 6.263 4.302 -12.690 1.00 0.00 C ATOM 1597 CG LEU A 104 5.278 3.608 -11.750 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.871 3.480 -10.355 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.960 4.368 -11.703 1.00 0.00 C ATOM 0 H LEU A 104 6.767 2.085 -14.096 1.00 0.00 H new ATOM 0 HA LEU A 104 5.111 4.508 -14.493 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.271 3.982 -12.428 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.212 5.376 -12.509 1.00 0.00 H new ATOM 0 HG LEU A 104 5.084 2.606 -12.134 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.155 2.984 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.788 2.893 -10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.095 4.472 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.271 3.860 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.137 5.382 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.527 4.408 -12.703 1.00 0.00 H new ATOM 1611 N PRO A 105 6.904 5.007 -16.259 1.00 0.00 N ATOM 1612 CA PRO A 105 7.882 5.634 -17.153 1.00 0.00 C ATOM 1613 C PRO A 105 8.179 7.079 -16.766 1.00 0.00 C ATOM 1614 O PRO A 105 9.034 7.729 -17.366 1.00 0.00 O ATOM 1615 CB PRO A 105 7.200 5.576 -18.522 1.00 0.00 C ATOM 1616 CG PRO A 105 5.743 5.529 -18.217 1.00 0.00 C ATOM 1617 CD PRO A 105 5.614 4.768 -16.926 1.00 0.00 C ATOM 0 HA PRO A 105 8.847 5.128 -17.121 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.450 6.448 -19.126 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.515 4.697 -19.085 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.332 6.534 -18.120 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.192 5.035 -19.018 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.779 5.131 -16.327 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.443 3.706 -17.101 1.00 0.00 H new ATOM 1625 N GLY A 106 7.466 7.576 -15.760 1.00 0.00 N ATOM 1626 CA GLY A 106 7.668 8.941 -15.311 1.00 0.00 C ATOM 1627 C GLY A 106 6.712 9.915 -15.969 1.00 0.00 C ATOM 1628 O GLY A 106 5.541 9.994 -15.598 1.00 0.00 O ATOM 0 H GLY A 106 6.752 7.058 -15.248 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.541 8.987 -14.229 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.693 9.243 -15.525 1.00 0.00 H new