USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 GLN : amide:sc= 0.443 X(o=0.44,f=-0.00075) USER MOD Single : A 16 THR OG1 : rot 67:sc= 1.02 USER MOD Single : A 20 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.26) USER MOD Single : A 25 SER OG : rot 97:sc= 1.19 USER MOD Single : A 26 THR OG1 : rot -42:sc= 1.06 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 11:sc= 0.892 USER MOD Single : A 57 MET CE :methyl -161:sc= -0.0888 (180deg=-0.534) USER MOD Single : A 67 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.033) USER MOD Single : A 71 GLN : amide:sc= -3.3! K(o=-3.3!,f=-0.45) USER MOD Single : A 79 GLN : amide:sc= -14.4! C(o=-14!,f=-11!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.18) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 120 MET CE :methyl 145:sc= -0.126 (180deg=-0.795) USER MOD Single : A 122 SER OG : rot 75:sc= 0.0395 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 10.891 1.656 7.655 1.00 0.00 N ATOM 126 CA LEU A 10 10.130 0.558 7.075 1.00 0.00 C ATOM 127 C LEU A 10 10.833 0.009 5.835 1.00 0.00 C ATOM 128 O LEU A 10 10.853 -1.202 5.615 1.00 0.00 O ATOM 129 CB LEU A 10 8.718 1.031 6.716 1.00 0.00 C ATOM 130 CG LEU A 10 7.789 -0.041 6.142 1.00 0.00 C ATOM 131 CD1 LEU A 10 7.541 -1.144 7.161 1.00 0.00 C ATOM 132 CD2 LEU A 10 6.477 0.581 5.697 1.00 0.00 C ATOM 0 HA LEU A 10 10.061 -0.242 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.255 1.447 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.799 1.842 5.992 1.00 0.00 H new ATOM 0 HG LEU A 10 8.274 -0.486 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.878 -1.895 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.489 -1.609 7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.078 -0.719 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.826 -0.194 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.990 1.053 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.671 1.331 4.930 1.00 0.00 H new ATOM 144 N TRP A 11 11.435 0.905 5.050 1.00 0.00 N ATOM 145 CA TRP A 11 12.127 0.524 3.821 1.00 0.00 C ATOM 146 C TRP A 11 13.218 -0.509 4.098 1.00 0.00 C ATOM 147 O TRP A 11 13.427 -1.428 3.306 1.00 0.00 O ATOM 148 CB TRP A 11 12.739 1.753 3.140 1.00 0.00 C ATOM 149 CG TRP A 11 11.985 2.224 1.929 1.00 0.00 C ATOM 150 CD1 TRP A 11 11.562 3.497 1.660 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.567 1.423 0.818 1.00 0.00 C ATOM 152 NE1 TRP A 11 10.919 3.533 0.443 1.00 0.00 N ATOM 153 CE2 TRP A 11 10.909 2.273 -0.092 1.00 0.00 C ATOM 154 CE3 TRP A 11 11.692 0.070 0.500 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.379 1.806 -1.293 1.00 0.00 C ATOM 156 CZ3 TRP A 11 11.166 -0.389 -0.689 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.517 0.479 -1.572 1.00 0.00 C ATOM 0 H TRP A 11 11.456 1.906 5.247 1.00 0.00 H new ATOM 0 HA TRP A 11 11.389 0.078 3.154 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.789 2.568 3.862 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.764 1.521 2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.711 4.349 2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.516 4.364 0.010 1.00 0.00 H new ATOM 0 HE3 TRP A 11 12.193 -0.608 1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.877 2.472 -1.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 11.257 -1.435 -0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.116 0.089 -2.496 1.00 0.00 H new ATOM 168 N GLN A 12 13.895 -0.362 5.231 1.00 0.00 N ATOM 169 CA GLN A 12 14.945 -1.292 5.633 1.00 0.00 C ATOM 170 C GLN A 12 14.403 -2.717 5.698 1.00 0.00 C ATOM 171 O GLN A 12 15.037 -3.661 5.221 1.00 0.00 O ATOM 172 CB GLN A 12 15.517 -0.883 6.993 1.00 0.00 C ATOM 173 CG GLN A 12 16.546 -1.854 7.555 1.00 0.00 C ATOM 174 CD GLN A 12 17.808 -1.924 6.717 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.755 -1.172 6.940 1.00 0.00 O ATOM 176 NE2 GLN A 12 17.832 -2.830 5.751 1.00 0.00 N ATOM 0 H GLN A 12 13.734 0.398 5.892 1.00 0.00 H new ATOM 0 HA GLN A 12 15.741 -1.259 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.976 0.101 6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.697 -0.787 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.806 -1.554 8.570 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.103 -2.848 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.025 -3.435 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.658 -2.923 5.159 1.00 0.00 H new ATOM 185 N ARG A 13 13.223 -2.861 6.281 1.00 0.00 N ATOM 186 CA ARG A 13 12.587 -4.163 6.417 1.00 0.00 C ATOM 187 C ARG A 13 12.046 -4.649 5.073 1.00 0.00 C ATOM 188 O ARG A 13 12.031 -5.847 4.800 1.00 0.00 O ATOM 189 CB ARG A 13 11.464 -4.107 7.458 1.00 0.00 C ATOM 190 CG ARG A 13 11.962 -3.860 8.874 1.00 0.00 C ATOM 191 CD ARG A 13 12.864 -4.989 9.345 1.00 0.00 C ATOM 192 NE ARG A 13 13.436 -4.736 10.669 1.00 0.00 N ATOM 193 CZ ARG A 13 14.172 -5.627 11.338 1.00 0.00 C ATOM 194 NH1 ARG A 13 14.410 -6.821 10.807 1.00 0.00 N ATOM 195 NH2 ARG A 13 14.668 -5.326 12.531 1.00 0.00 N ATOM 0 H ARG A 13 12.683 -2.088 6.670 1.00 0.00 H new ATOM 0 HA ARG A 13 13.340 -4.874 6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.764 -3.317 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.910 -5.046 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.507 -2.917 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.112 -3.764 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.294 -5.918 9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.671 -5.129 8.625 1.00 0.00 H new ATOM 0 HE ARG A 13 13.263 -3.830 11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.031 -7.056 9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.972 -7.503 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.488 -4.410 12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.229 -6.011 13.037 1.00 0.00 H new ATOM 209 N LEU A 14 11.627 -3.712 4.233 1.00 0.00 N ATOM 210 CA LEU A 14 11.066 -4.049 2.927 1.00 0.00 C ATOM 211 C LEU A 14 12.145 -4.615 2.005 1.00 0.00 C ATOM 212 O LEU A 14 11.917 -5.598 1.298 1.00 0.00 O ATOM 213 CB LEU A 14 10.412 -2.821 2.294 1.00 0.00 C ATOM 214 CG LEU A 14 9.357 -2.127 3.162 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.724 -0.966 2.411 1.00 0.00 C ATOM 216 CD2 LEU A 14 8.295 -3.120 3.612 1.00 0.00 C ATOM 0 H LEU A 14 11.664 -2.712 4.431 1.00 0.00 H new ATOM 0 HA LEU A 14 10.303 -4.814 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.191 -2.099 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.948 -3.120 1.354 1.00 0.00 H new ATOM 0 HG LEU A 14 9.851 -1.730 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.978 -0.487 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.494 -0.242 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.246 -1.337 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.555 -2.608 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.805 -3.550 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.763 -3.914 4.193 1.00 0.00 H new ATOM 228 N LEU A 15 13.323 -3.991 2.019 1.00 0.00 N ATOM 229 CA LEU A 15 14.473 -4.506 1.283 1.00 0.00 C ATOM 230 C LEU A 15 14.879 -5.882 1.802 1.00 0.00 C ATOM 231 O LEU A 15 15.482 -6.676 1.082 1.00 0.00 O ATOM 232 CB LEU A 15 15.662 -3.542 1.374 1.00 0.00 C ATOM 233 CG LEU A 15 15.723 -2.469 0.285 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.569 -1.493 0.406 1.00 0.00 C ATOM 235 CD2 LEU A 15 17.051 -1.730 0.337 1.00 0.00 C ATOM 0 H LEU A 15 13.504 -3.128 2.532 1.00 0.00 H new ATOM 0 HA LEU A 15 14.180 -4.598 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.634 -3.048 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.583 -4.124 1.339 1.00 0.00 H new ATOM 0 HG LEU A 15 15.638 -2.969 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.642 -0.744 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.626 -2.031 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.608 -1.002 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.076 -0.971 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.164 -1.252 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.867 -2.436 0.183 1.00 0.00 H new ATOM 247 N THR A 16 14.563 -6.151 3.061 1.00 0.00 N ATOM 248 CA THR A 16 14.829 -7.453 3.648 1.00 0.00 C ATOM 249 C THR A 16 13.851 -8.483 3.084 1.00 0.00 C ATOM 250 O THR A 16 14.265 -9.497 2.517 1.00 0.00 O ATOM 251 CB THR A 16 14.717 -7.407 5.185 1.00 0.00 C ATOM 252 OG1 THR A 16 15.549 -6.356 5.703 1.00 0.00 O ATOM 253 CG2 THR A 16 15.128 -8.735 5.808 1.00 0.00 C ATOM 0 H THR A 16 14.122 -5.484 3.694 1.00 0.00 H new ATOM 0 HA THR A 16 15.849 -7.740 3.393 1.00 0.00 H new ATOM 0 HB THR A 16 13.675 -7.215 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.196 -5.488 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.038 -8.671 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.479 -9.528 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.161 -8.957 5.542 1.00 0.00 H new ATOM 261 N ARG A 17 12.555 -8.199 3.238 1.00 0.00 N ATOM 262 CA ARG A 17 11.492 -9.028 2.674 1.00 0.00 C ATOM 263 C ARG A 17 10.134 -8.446 3.052 1.00 0.00 C ATOM 264 O ARG A 17 9.910 -8.090 4.208 1.00 0.00 O ATOM 265 CB ARG A 17 11.580 -10.473 3.176 1.00 0.00 C ATOM 266 CG ARG A 17 10.710 -11.436 2.390 1.00 0.00 C ATOM 267 CD ARG A 17 10.764 -12.836 2.968 1.00 0.00 C ATOM 268 NE ARG A 17 10.118 -13.813 2.093 1.00 0.00 N ATOM 269 CZ ARG A 17 9.338 -14.805 2.525 1.00 0.00 C ATOM 270 NH1 ARG A 17 8.961 -14.851 3.797 1.00 0.00 N ATOM 271 NH2 ARG A 17 8.894 -15.723 1.674 1.00 0.00 N ATOM 0 H ARG A 17 12.216 -7.389 3.757 1.00 0.00 H new ATOM 0 HA ARG A 17 11.611 -9.035 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.617 -10.806 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.288 -10.504 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.680 -11.081 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.038 -11.458 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.803 -13.123 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.278 -12.845 3.943 1.00 0.00 H new ATOM 0 HE ARG A 17 10.274 -13.731 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.268 -14.127 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.364 -15.611 4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.149 -15.670 0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.298 -16.481 2.007 1.00 0.00 H new ATOM 285 N GLY A 18 9.239 -8.343 2.081 1.00 0.00 N ATOM 286 CA GLY A 18 7.912 -7.826 2.352 1.00 0.00 C ATOM 287 C GLY A 18 7.339 -7.085 1.169 1.00 0.00 C ATOM 288 O GLY A 18 6.793 -7.698 0.252 1.00 0.00 O ATOM 0 H GLY A 18 9.407 -8.608 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.250 -8.650 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.952 -7.158 3.213 1.00 0.00 H new ATOM 292 N TRP A 19 7.462 -5.766 1.182 1.00 0.00 N ATOM 293 CA TRP A 19 6.976 -4.952 0.083 1.00 0.00 C ATOM 294 C TRP A 19 8.093 -4.730 -0.921 1.00 0.00 C ATOM 295 O TRP A 19 9.112 -4.117 -0.608 1.00 0.00 O ATOM 296 CB TRP A 19 6.466 -3.594 0.569 1.00 0.00 C ATOM 297 CG TRP A 19 5.363 -3.660 1.584 1.00 0.00 C ATOM 298 CD1 TRP A 19 4.714 -4.770 2.043 1.00 0.00 C ATOM 299 CD2 TRP A 19 4.778 -2.544 2.261 1.00 0.00 C ATOM 300 NE1 TRP A 19 3.770 -4.412 2.973 1.00 0.00 N ATOM 301 CE2 TRP A 19 3.790 -3.050 3.122 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.000 -1.163 2.225 1.00 0.00 C ATOM 303 CZ2 TRP A 19 3.025 -2.225 3.938 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.240 -0.346 3.035 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.264 -0.877 3.882 1.00 0.00 C ATOM 0 H TRP A 19 7.894 -5.239 1.941 1.00 0.00 H new ATOM 0 HA TRP A 19 6.146 -5.484 -0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.302 -3.041 0.997 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.115 -3.025 -0.292 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.914 -5.781 1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.154 -5.055 3.472 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.753 -0.744 1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 2.269 -2.632 4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.402 0.722 3.014 1.00 0.00 H new ATOM 0 HH2 TRP A 19 2.686 -0.211 4.506 1.00 0.00 H new ATOM 316 N GLN A 20 7.903 -5.242 -2.117 1.00 0.00 N ATOM 317 CA GLN A 20 8.878 -5.082 -3.175 1.00 0.00 C ATOM 318 C GLN A 20 8.613 -3.799 -3.950 1.00 0.00 C ATOM 319 O GLN A 20 7.474 -3.528 -4.334 1.00 0.00 O ATOM 320 CB GLN A 20 8.842 -6.296 -4.097 1.00 0.00 C ATOM 321 CG GLN A 20 10.012 -7.251 -3.894 1.00 0.00 C ATOM 322 CD GLN A 20 10.215 -7.632 -2.435 1.00 0.00 C ATOM 323 OE1 GLN A 20 9.640 -8.604 -1.948 1.00 0.00 O ATOM 324 NE2 GLN A 20 11.043 -6.872 -1.730 1.00 0.00 N ATOM 0 H GLN A 20 7.076 -5.777 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 20 9.874 -5.009 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.910 -6.837 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.837 -5.955 -5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.844 -8.154 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.923 -6.789 -4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.502 -6.074 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.221 -7.086 -0.749 1.00 0.00 H new ATOM 333 N PRO A 21 9.658 -2.983 -4.166 1.00 0.00 N ATOM 334 CA PRO A 21 9.534 -1.705 -4.875 1.00 0.00 C ATOM 335 C PRO A 21 9.075 -1.886 -6.314 1.00 0.00 C ATOM 336 O PRO A 21 9.834 -2.346 -7.168 1.00 0.00 O ATOM 337 CB PRO A 21 10.948 -1.118 -4.834 1.00 0.00 C ATOM 338 CG PRO A 21 11.645 -1.863 -3.748 1.00 0.00 C ATOM 339 CD PRO A 21 11.040 -3.235 -3.739 1.00 0.00 C ATOM 0 HA PRO A 21 8.785 -1.061 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.456 -1.247 -5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.925 -0.048 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.718 -1.910 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.509 -1.369 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.557 -3.910 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.081 -3.689 -2.749 1.00 0.00 H new ATOM 347 N VAL A 22 7.821 -1.542 -6.569 1.00 0.00 N ATOM 348 CA VAL A 22 7.261 -1.648 -7.906 1.00 0.00 C ATOM 349 C VAL A 22 7.522 -0.379 -8.708 1.00 0.00 C ATOM 350 O VAL A 22 8.038 0.609 -8.179 1.00 0.00 O ATOM 351 CB VAL A 22 5.745 -1.943 -7.881 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.484 -3.331 -7.320 1.00 0.00 C ATOM 353 CG2 VAL A 22 4.991 -0.893 -7.073 1.00 0.00 C ATOM 0 H VAL A 22 7.173 -1.187 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 22 7.761 -2.488 -8.388 1.00 0.00 H new ATOM 0 HB VAL A 22 5.379 -1.904 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.411 -3.523 -7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.980 -4.075 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.874 -3.392 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.927 -1.128 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.361 -0.888 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.146 0.090 -7.519 1.00 0.00 H new ATOM 363 N GLU A 23 7.137 -0.410 -9.975 1.00 0.00 N ATOM 364 CA GLU A 23 7.430 0.664 -10.902 1.00 0.00 C ATOM 365 C GLU A 23 6.373 0.692 -11.986 1.00 0.00 C ATOM 366 O GLU A 23 5.490 -0.159 -12.015 1.00 0.00 O ATOM 367 CB GLU A 23 8.806 0.436 -11.524 1.00 0.00 C ATOM 368 CG GLU A 23 9.668 1.679 -11.607 1.00 0.00 C ATOM 369 CD GLU A 23 9.586 2.367 -12.954 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.639 3.144 -13.171 1.00 0.00 O ATOM 371 OE2 GLU A 23 10.464 2.121 -13.806 1.00 0.00 O ATOM 0 H GLU A 23 6.613 -1.182 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 23 7.429 1.617 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.334 -0.319 -10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.675 0.031 -12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.363 2.379 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.705 1.410 -11.405 1.00 0.00 H new ATOM 378 N ALA A 24 6.493 1.642 -12.887 1.00 0.00 N ATOM 379 CA ALA A 24 5.545 1.789 -13.981 1.00 0.00 C ATOM 380 C ALA A 24 5.913 0.844 -15.108 1.00 0.00 C ATOM 381 O ALA A 24 5.050 0.286 -15.784 1.00 0.00 O ATOM 382 CB ALA A 24 5.529 3.226 -14.478 1.00 0.00 C ATOM 0 H ALA A 24 7.244 2.333 -12.887 1.00 0.00 H new ATOM 0 HA ALA A 24 4.547 1.540 -13.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.815 3.320 -15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.237 3.889 -13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.523 3.500 -14.831 1.00 0.00 H new ATOM 388 N SER A 25 7.213 0.654 -15.283 1.00 0.00 N ATOM 389 CA SER A 25 7.738 -0.228 -16.316 1.00 0.00 C ATOM 390 C SER A 25 7.318 -1.680 -16.067 1.00 0.00 C ATOM 391 O SER A 25 7.120 -2.450 -17.004 1.00 0.00 O ATOM 392 CB SER A 25 9.262 -0.126 -16.342 1.00 0.00 C ATOM 393 OG SER A 25 9.678 1.230 -16.303 1.00 0.00 O ATOM 0 H SER A 25 7.931 1.105 -14.716 1.00 0.00 H new ATOM 0 HA SER A 25 7.330 0.082 -17.278 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.681 -0.664 -15.492 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.647 -0.603 -17.243 1.00 0.00 H new ATOM 0 HG SER A 25 9.891 1.480 -15.380 1.00 0.00 H new ATOM 399 N THR A 26 7.160 -2.039 -14.797 1.00 0.00 N ATOM 400 CA THR A 26 6.864 -3.415 -14.427 1.00 0.00 C ATOM 401 C THR A 26 5.549 -3.521 -13.647 1.00 0.00 C ATOM 402 O THR A 26 5.274 -4.544 -13.018 1.00 0.00 O ATOM 403 CB THR A 26 8.022 -4.020 -13.593 1.00 0.00 C ATOM 404 OG1 THR A 26 7.749 -5.393 -13.273 1.00 0.00 O ATOM 405 CG2 THR A 26 8.249 -3.232 -12.308 1.00 0.00 C ATOM 0 H THR A 26 7.232 -1.396 -14.009 1.00 0.00 H new ATOM 0 HA THR A 26 6.756 -3.982 -15.352 1.00 0.00 H new ATOM 0 HB THR A 26 8.927 -3.964 -14.199 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.810 -5.487 -13.009 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.067 -3.681 -11.745 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.501 -2.200 -12.554 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.341 -3.250 -11.705 1.00 0.00 H new ATOM 413 N VAL A 27 4.723 -2.481 -13.712 1.00 0.00 N ATOM 414 CA VAL A 27 3.456 -2.480 -12.987 1.00 0.00 C ATOM 415 C VAL A 27 2.507 -3.522 -13.581 1.00 0.00 C ATOM 416 O VAL A 27 1.863 -4.273 -12.852 1.00 0.00 O ATOM 417 CB VAL A 27 2.786 -1.076 -12.970 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.380 -0.621 -14.367 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.593 -1.061 -12.024 1.00 0.00 C ATOM 0 H VAL A 27 4.905 -1.636 -14.253 1.00 0.00 H new ATOM 0 HA VAL A 27 3.673 -2.741 -11.951 1.00 0.00 H new ATOM 0 HB VAL A 27 3.527 -0.365 -12.604 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.916 0.364 -14.309 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.263 -0.569 -15.004 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.670 -1.332 -14.789 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.139 -0.070 -12.027 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.859 -1.797 -12.352 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.926 -1.305 -11.015 1.00 0.00 H new ATOM 429 N ASP A 28 2.471 -3.591 -14.909 1.00 0.00 N ATOM 430 CA ASP A 28 1.646 -4.566 -15.616 1.00 0.00 C ATOM 431 C ASP A 28 2.014 -5.980 -15.202 1.00 0.00 C ATOM 432 O ASP A 28 1.146 -6.817 -14.952 1.00 0.00 O ATOM 433 CB ASP A 28 1.841 -4.428 -17.125 1.00 0.00 C ATOM 434 CG ASP A 28 1.275 -3.146 -17.695 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.961 -2.104 -17.626 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.150 -3.183 -18.247 1.00 0.00 O ATOM 0 H ASP A 28 3.009 -2.978 -15.521 1.00 0.00 H new ATOM 0 HA ASP A 28 0.604 -4.373 -15.359 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.906 -4.477 -17.351 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.370 -5.276 -17.623 1.00 0.00 H new ATOM 441 N ASP A 29 3.314 -6.226 -15.122 1.00 0.00 N ATOM 442 CA ASP A 29 3.833 -7.551 -14.814 1.00 0.00 C ATOM 443 C ASP A 29 3.428 -7.983 -13.415 1.00 0.00 C ATOM 444 O ASP A 29 2.873 -9.063 -13.236 1.00 0.00 O ATOM 445 CB ASP A 29 5.360 -7.560 -14.947 1.00 0.00 C ATOM 446 CG ASP A 29 5.952 -8.953 -14.850 1.00 0.00 C ATOM 447 OD1 ASP A 29 5.873 -9.702 -15.847 1.00 0.00 O ATOM 448 OD2 ASP A 29 6.518 -9.296 -13.791 1.00 0.00 O ATOM 0 H ASP A 29 4.034 -5.518 -15.268 1.00 0.00 H new ATOM 0 HA ASP A 29 3.407 -8.259 -15.525 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.639 -7.118 -15.903 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.791 -6.932 -14.167 1.00 0.00 H new ATOM 453 N TRP A 30 3.673 -7.118 -12.437 1.00 0.00 N ATOM 454 CA TRP A 30 3.397 -7.443 -11.043 1.00 0.00 C ATOM 455 C TRP A 30 1.909 -7.715 -10.829 1.00 0.00 C ATOM 456 O TRP A 30 1.543 -8.687 -10.168 1.00 0.00 O ATOM 457 CB TRP A 30 3.867 -6.304 -10.131 1.00 0.00 C ATOM 458 CG TRP A 30 3.785 -6.622 -8.666 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.746 -7.222 -7.903 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.686 -6.351 -7.787 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.309 -7.346 -6.607 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.049 -6.819 -6.510 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.429 -5.761 -7.954 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.202 -6.714 -5.410 1.00 0.00 C ATOM 465 CZ3 TRP A 30 0.592 -5.657 -6.860 1.00 0.00 C ATOM 466 CH2 TRP A 30 0.981 -6.131 -5.604 1.00 0.00 C ATOM 0 H TRP A 30 4.062 -6.187 -12.584 1.00 0.00 H new ATOM 0 HA TRP A 30 3.947 -8.349 -10.789 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.898 -6.054 -10.381 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.266 -5.418 -10.334 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.709 -7.551 -8.266 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.837 -7.763 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.118 -5.393 -8.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.499 -7.080 -4.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.380 -5.201 -6.977 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.303 -6.035 -4.769 1.00 0.00 H new ATOM 477 N ILE A 31 1.056 -6.869 -11.409 1.00 0.00 N ATOM 478 CA ILE A 31 -0.388 -7.027 -11.268 1.00 0.00 C ATOM 479 C ILE A 31 -0.838 -8.382 -11.810 1.00 0.00 C ATOM 480 O ILE A 31 -1.643 -9.075 -11.189 1.00 0.00 O ATOM 481 CB ILE A 31 -1.161 -5.895 -11.989 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.785 -4.533 -11.401 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.666 -6.118 -11.893 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.338 -3.363 -12.186 1.00 0.00 C ATOM 0 H ILE A 31 1.341 -6.072 -11.978 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.615 -6.971 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.881 -5.910 -13.042 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.149 -4.476 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.301 -4.451 -11.359 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.187 -5.310 -12.407 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.923 -7.069 -12.358 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.965 -6.134 -10.845 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.032 -2.430 -11.712 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.954 -3.395 -13.206 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.426 -3.420 -12.206 1.00 0.00 H new ATOM 496 N LYS A 32 -0.291 -8.766 -12.957 1.00 0.00 N ATOM 497 CA LYS A 32 -0.615 -10.048 -13.567 1.00 0.00 C ATOM 498 C LYS A 32 -0.036 -11.205 -12.750 1.00 0.00 C ATOM 499 O LYS A 32 -0.655 -12.260 -12.610 1.00 0.00 O ATOM 500 CB LYS A 32 -0.086 -10.082 -15.011 1.00 0.00 C ATOM 501 CG LYS A 32 -0.159 -11.448 -15.678 1.00 0.00 C ATOM 502 CD LYS A 32 -1.553 -12.020 -15.658 1.00 0.00 C ATOM 503 CE LYS A 32 -1.604 -13.368 -16.361 1.00 0.00 C ATOM 504 NZ LYS A 32 -2.969 -13.962 -16.364 1.00 0.00 N ATOM 0 H LYS A 32 0.380 -8.206 -13.483 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.699 -10.165 -13.583 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.653 -9.369 -15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.951 -9.746 -15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.183 -11.365 -16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.520 -12.134 -15.172 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.888 -12.132 -14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.240 -11.327 -16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.261 -13.251 -17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.914 -14.055 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.948 -14.879 -16.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.289 -14.101 -15.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.625 -13.322 -16.855 1.00 0.00 H new ATOM 518 N ARG A 33 1.143 -10.987 -12.198 1.00 0.00 N ATOM 519 CA ARG A 33 1.868 -12.008 -11.490 1.00 0.00 C ATOM 520 C ARG A 33 1.227 -12.356 -10.148 1.00 0.00 C ATOM 521 O ARG A 33 1.081 -13.533 -9.820 1.00 0.00 O ATOM 522 CB ARG A 33 3.305 -11.535 -11.312 1.00 0.00 C ATOM 523 CG ARG A 33 4.188 -11.786 -12.531 1.00 0.00 C ATOM 524 CD ARG A 33 4.197 -13.254 -12.941 1.00 0.00 C ATOM 525 NE ARG A 33 4.878 -14.102 -11.960 1.00 0.00 N ATOM 526 CZ ARG A 33 4.289 -15.081 -11.274 1.00 0.00 C ATOM 527 NH1 ARG A 33 2.990 -15.317 -11.421 1.00 0.00 N ATOM 528 NH2 ARG A 33 5.007 -15.828 -10.447 1.00 0.00 N ATOM 0 H ARG A 33 1.622 -10.087 -12.232 1.00 0.00 H new ATOM 0 HA ARG A 33 1.845 -12.928 -12.074 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.302 -10.468 -11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.740 -12.039 -10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.835 -11.179 -13.365 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.206 -11.465 -12.312 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.171 -13.600 -13.067 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.688 -13.355 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 33 5.869 -13.932 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.437 -14.747 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.545 -16.068 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.006 -15.652 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.561 -16.578 -9.920 1.00 0.00 H new ATOM 542 N VAL A 34 0.826 -11.351 -9.379 1.00 0.00 N ATOM 543 CA VAL A 34 0.239 -11.610 -8.068 1.00 0.00 C ATOM 544 C VAL A 34 -1.279 -11.762 -8.152 1.00 0.00 C ATOM 545 O VAL A 34 -1.862 -12.615 -7.484 1.00 0.00 O ATOM 546 CB VAL A 34 0.598 -10.517 -7.035 1.00 0.00 C ATOM 547 CG1 VAL A 34 2.106 -10.460 -6.827 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.048 -9.156 -7.446 1.00 0.00 C ATOM 0 H VAL A 34 0.894 -10.365 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 34 0.670 -12.551 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 34 0.129 -10.781 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.344 -9.686 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.460 -11.424 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.595 -10.229 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.320 -8.412 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.468 -8.870 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.038 -9.211 -7.525 1.00 0.00 H new ATOM 558 N GLY A 35 -1.907 -10.935 -8.975 1.00 0.00 N ATOM 559 CA GLY A 35 -3.347 -10.980 -9.138 1.00 0.00 C ATOM 560 C GLY A 35 -4.066 -10.080 -8.156 1.00 0.00 C ATOM 561 O GLY A 35 -4.848 -9.220 -8.549 1.00 0.00 O ATOM 0 H GLY A 35 -1.439 -10.226 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.605 -10.683 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.693 -12.005 -9.008 1.00 0.00 H new ATOM 565 N ASP A 36 -3.783 -10.267 -6.878 1.00 0.00 N ATOM 566 CA ASP A 36 -4.447 -9.502 -5.835 1.00 0.00 C ATOM 567 C ASP A 36 -3.423 -8.766 -4.986 1.00 0.00 C ATOM 568 O ASP A 36 -2.509 -9.377 -4.425 1.00 0.00 O ATOM 569 CB ASP A 36 -5.288 -10.418 -4.947 1.00 0.00 C ATOM 570 CG ASP A 36 -6.335 -11.203 -5.719 1.00 0.00 C ATOM 571 OD1 ASP A 36 -7.243 -10.578 -6.312 1.00 0.00 O ATOM 572 OD2 ASP A 36 -6.243 -12.451 -5.737 1.00 0.00 O ATOM 0 H ASP A 36 -3.098 -10.942 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.104 -8.775 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.630 -11.115 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.783 -9.818 -4.183 1.00 0.00 H new ATOM 577 N GLY A 37 -3.570 -7.459 -4.901 1.00 0.00 N ATOM 578 CA GLY A 37 -2.660 -6.661 -4.113 1.00 0.00 C ATOM 579 C GLY A 37 -2.893 -5.178 -4.295 1.00 0.00 C ATOM 580 O GLY A 37 -3.935 -4.767 -4.804 1.00 0.00 O ATOM 0 H GLY A 37 -4.308 -6.931 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.773 -6.918 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.634 -6.902 -4.391 1.00 0.00 H new ATOM 584 N VAL A 38 -1.932 -4.372 -3.875 1.00 0.00 N ATOM 585 CA VAL A 38 -2.045 -2.922 -3.983 1.00 0.00 C ATOM 586 C VAL A 38 -0.707 -2.302 -4.364 1.00 0.00 C ATOM 587 O VAL A 38 0.348 -2.792 -3.960 1.00 0.00 O ATOM 588 CB VAL A 38 -2.539 -2.272 -2.662 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.973 -2.674 -2.359 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.626 -2.641 -1.498 1.00 0.00 C ATOM 0 H VAL A 38 -1.061 -4.696 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.782 -2.727 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.508 -1.190 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.294 -2.205 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.622 -2.348 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.034 -3.758 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.994 -2.173 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.616 -3.724 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.615 -2.290 -1.703 1.00 0.00 H new ATOM 600 N ILE A 39 -0.760 -1.241 -5.161 1.00 0.00 N ATOM 601 CA ILE A 39 0.429 -0.464 -5.483 1.00 0.00 C ATOM 602 C ILE A 39 0.399 0.841 -4.699 1.00 0.00 C ATOM 603 O ILE A 39 -0.476 1.689 -4.914 1.00 0.00 O ATOM 604 CB ILE A 39 0.562 -0.153 -7.004 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.045 -1.379 -7.793 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.515 1.011 -7.242 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.023 -2.486 -7.913 1.00 0.00 C ATOM 0 H ILE A 39 -1.617 -0.899 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 39 1.294 -1.067 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.432 0.119 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.337 -1.060 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.939 -1.777 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.590 1.207 -8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.138 1.899 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.500 0.761 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.447 -3.312 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.252 -2.837 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.864 -2.109 -8.423 1.00 0.00 H new ATOM 619 N LEU A 40 1.319 0.975 -3.762 1.00 0.00 N ATOM 620 CA LEU A 40 1.469 2.210 -3.011 1.00 0.00 C ATOM 621 C LEU A 40 2.399 3.141 -3.785 1.00 0.00 C ATOM 622 O LEU A 40 3.606 2.913 -3.828 1.00 0.00 O ATOM 623 CB LEU A 40 2.038 1.903 -1.617 1.00 0.00 C ATOM 624 CG LEU A 40 1.662 2.885 -0.497 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.103 2.340 0.853 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.285 4.253 -0.728 1.00 0.00 C ATOM 0 H LEU A 40 1.977 0.241 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 40 0.502 2.696 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.707 0.907 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.125 1.868 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 40 0.578 2.997 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.830 3.046 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.612 1.385 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.184 2.198 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.000 4.924 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.371 4.158 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.932 4.658 -1.676 1.00 0.00 H new ATOM 638 N LEU A 41 1.831 4.160 -4.429 1.00 0.00 N ATOM 639 CA LEU A 41 2.607 5.080 -5.261 1.00 0.00 C ATOM 640 C LEU A 41 3.648 5.825 -4.439 1.00 0.00 C ATOM 641 O LEU A 41 3.323 6.431 -3.419 1.00 0.00 O ATOM 642 CB LEU A 41 1.694 6.083 -5.979 1.00 0.00 C ATOM 643 CG LEU A 41 1.030 5.578 -7.270 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.062 4.442 -6.983 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.317 6.720 -7.976 1.00 0.00 C ATOM 0 H LEU A 41 0.834 4.370 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 41 3.122 4.479 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.911 6.392 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.278 6.972 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 41 1.812 5.193 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.392 4.106 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.600 3.613 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.717 4.790 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.149 6.349 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.449 7.132 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.037 7.499 -8.227 1.00 0.00 H new ATOM 657 N SER A 42 4.895 5.789 -4.918 1.00 0.00 N ATOM 658 CA SER A 42 6.049 6.372 -4.224 1.00 0.00 C ATOM 659 C SER A 42 6.144 5.894 -2.770 1.00 0.00 C ATOM 660 O SER A 42 5.517 4.908 -2.387 1.00 0.00 O ATOM 661 CB SER A 42 6.022 7.910 -4.304 1.00 0.00 C ATOM 662 OG SER A 42 4.867 8.465 -3.696 1.00 0.00 O ATOM 0 H SER A 42 5.135 5.350 -5.807 1.00 0.00 H new ATOM 0 HA SER A 42 6.946 6.022 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.912 8.312 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.062 8.217 -5.349 1.00 0.00 H new ATOM 0 HG SER A 42 4.394 7.768 -3.195 1.00 0.00 H new ATOM 863 N VAL A 56 3.637 2.492 7.752 1.00 0.00 N ATOM 864 CA VAL A 56 3.621 1.165 8.357 1.00 0.00 C ATOM 865 C VAL A 56 2.186 0.665 8.544 1.00 0.00 C ATOM 866 O VAL A 56 1.947 -0.530 8.714 1.00 0.00 O ATOM 867 CB VAL A 56 4.350 1.169 9.724 1.00 0.00 C ATOM 868 CG1 VAL A 56 4.514 -0.245 10.266 1.00 0.00 C ATOM 869 CG2 VAL A 56 5.705 1.852 9.606 1.00 0.00 C ATOM 0 HA VAL A 56 4.145 0.491 7.679 1.00 0.00 H new ATOM 0 HB VAL A 56 3.736 1.731 10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.029 -0.209 11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.532 -0.700 10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.098 -0.839 9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.202 1.845 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.319 1.319 8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.566 2.882 9.277 1.00 0.00 H new ATOM 879 N MET A 57 1.229 1.588 8.497 1.00 0.00 N ATOM 880 CA MET A 57 -0.182 1.251 8.703 1.00 0.00 C ATOM 881 C MET A 57 -0.679 0.229 7.681 1.00 0.00 C ATOM 882 O MET A 57 -1.499 -0.627 8.003 1.00 0.00 O ATOM 883 CB MET A 57 -1.055 2.505 8.642 1.00 0.00 C ATOM 884 CG MET A 57 -0.820 3.470 9.792 1.00 0.00 C ATOM 885 SD MET A 57 -1.920 4.901 9.737 1.00 0.00 S ATOM 886 CE MET A 57 -1.435 5.644 8.180 1.00 0.00 C ATOM 0 H MET A 57 1.402 2.577 8.318 1.00 0.00 H new ATOM 0 HA MET A 57 -0.260 0.806 9.695 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.867 3.022 7.701 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.103 2.207 8.638 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.961 2.944 10.736 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.215 3.811 9.769 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.760 6.684 8.156 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.351 5.600 8.078 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.899 5.100 7.357 1.00 0.00 H new ATOM 896 N ILE A 58 -0.164 0.304 6.459 1.00 0.00 N ATOM 897 CA ILE A 58 -0.607 -0.592 5.392 1.00 0.00 C ATOM 898 C ILE A 58 -0.154 -2.034 5.672 1.00 0.00 C ATOM 899 O ILE A 58 -0.783 -2.997 5.230 1.00 0.00 O ATOM 900 CB ILE A 58 -0.103 -0.130 3.990 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.693 1.236 3.603 1.00 0.00 C ATOM 902 CG2 ILE A 58 -0.452 -1.153 2.918 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.017 2.422 4.221 1.00 0.00 C ATOM 0 H ILE A 58 0.556 0.971 6.181 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.696 -0.558 5.376 1.00 0.00 H new ATOM 0 HB ILE A 58 0.981 -0.038 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.665 1.336 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.742 1.262 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.089 -0.805 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.016 -2.107 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.534 -1.280 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.464 3.344 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.034 2.351 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.060 2.426 3.906 1.00 0.00 H new ATOM 915 N ALA A 59 0.921 -2.176 6.445 1.00 0.00 N ATOM 916 CA ALA A 59 1.451 -3.493 6.784 1.00 0.00 C ATOM 917 C ALA A 59 0.489 -4.253 7.691 1.00 0.00 C ATOM 918 O ALA A 59 0.193 -5.425 7.458 1.00 0.00 O ATOM 919 CB ALA A 59 2.813 -3.362 7.449 1.00 0.00 C ATOM 0 H ALA A 59 1.441 -1.396 6.847 1.00 0.00 H new ATOM 0 HA ALA A 59 1.565 -4.059 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.194 -4.353 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.504 -2.866 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.717 -2.773 8.361 1.00 0.00 H new ATOM 925 N GLU A 60 -0.004 -3.575 8.720 1.00 0.00 N ATOM 926 CA GLU A 60 -0.964 -4.175 9.638 1.00 0.00 C ATOM 927 C GLU A 60 -2.320 -4.337 8.969 1.00 0.00 C ATOM 928 O GLU A 60 -3.062 -5.267 9.282 1.00 0.00 O ATOM 929 CB GLU A 60 -1.091 -3.343 10.914 1.00 0.00 C ATOM 930 CG GLU A 60 -0.172 -3.805 12.034 1.00 0.00 C ATOM 931 CD GLU A 60 1.286 -3.847 11.627 1.00 0.00 C ATOM 932 OE1 GLU A 60 1.968 -2.812 11.747 1.00 0.00 O ATOM 933 OE2 GLU A 60 1.760 -4.920 11.199 1.00 0.00 O ATOM 0 H GLU A 60 0.245 -2.610 8.940 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.596 -5.164 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.872 -2.301 10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.123 -3.382 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.286 -3.137 12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.480 -4.798 12.363 1.00 0.00 H new ATOM 940 N LEU A 61 -2.620 -3.433 8.039 1.00 0.00 N ATOM 941 CA LEU A 61 -3.847 -3.498 7.247 1.00 0.00 C ATOM 942 C LEU A 61 -3.989 -4.867 6.607 1.00 0.00 C ATOM 943 O LEU A 61 -5.051 -5.486 6.652 1.00 0.00 O ATOM 944 CB LEU A 61 -3.802 -2.440 6.146 1.00 0.00 C ATOM 945 CG LEU A 61 -5.069 -2.310 5.298 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.250 -1.881 6.153 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.846 -1.326 4.160 1.00 0.00 C ATOM 0 H LEU A 61 -2.022 -2.638 7.813 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.697 -3.317 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.593 -1.473 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.966 -2.666 5.484 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.298 -3.287 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.139 -1.795 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.424 -2.623 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.035 -0.916 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.756 -1.244 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.591 -0.348 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.031 -1.679 3.528 1.00 0.00 H new ATOM 959 N LEU A 62 -2.900 -5.314 6.003 1.00 0.00 N ATOM 960 CA LEU A 62 -2.833 -6.636 5.389 1.00 0.00 C ATOM 961 C LEU A 62 -3.215 -7.714 6.406 1.00 0.00 C ATOM 962 O LEU A 62 -4.060 -8.565 6.133 1.00 0.00 O ATOM 963 CB LEU A 62 -1.410 -6.887 4.855 1.00 0.00 C ATOM 964 CG LEU A 62 -1.263 -7.966 3.764 1.00 0.00 C ATOM 965 CD1 LEU A 62 0.150 -7.958 3.210 1.00 0.00 C ATOM 966 CD2 LEU A 62 -1.595 -9.354 4.292 1.00 0.00 C ATOM 0 H LEU A 62 -2.038 -4.775 5.923 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.539 -6.679 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.024 -5.948 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.774 -7.164 5.696 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.973 -7.728 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.243 -8.724 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.366 -6.981 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.857 -8.164 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.479 -10.085 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.920 -9.603 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.624 -9.370 4.652 1.00 0.00 H new ATOM 978 N ARG A 63 -2.602 -7.653 7.584 1.00 0.00 N ATOM 979 CA ARG A 63 -2.788 -8.685 8.600 1.00 0.00 C ATOM 980 C ARG A 63 -4.237 -8.753 9.076 1.00 0.00 C ATOM 981 O ARG A 63 -4.840 -9.825 9.110 1.00 0.00 O ATOM 982 CB ARG A 63 -1.887 -8.437 9.811 1.00 0.00 C ATOM 983 CG ARG A 63 -0.424 -8.193 9.479 1.00 0.00 C ATOM 984 CD ARG A 63 0.418 -8.226 10.744 1.00 0.00 C ATOM 985 NE ARG A 63 1.734 -7.614 10.570 1.00 0.00 N ATOM 986 CZ ARG A 63 2.886 -8.258 10.758 1.00 0.00 C ATOM 987 NH1 ARG A 63 2.885 -9.572 10.966 1.00 0.00 N ATOM 988 NH2 ARG A 63 4.038 -7.593 10.711 1.00 0.00 N ATOM 0 H ARG A 63 -1.972 -6.900 7.859 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.521 -9.632 8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.269 -7.576 10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.955 -9.296 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.072 -8.951 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.312 -7.228 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.115 -7.709 11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.544 -9.261 11.063 1.00 0.00 H new ATOM 0 HE ARG A 63 1.773 -6.635 10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.004 -10.085 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.766 -10.066 11.110 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.040 -6.589 10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.918 -8.087 10.855 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.798 -7.604 9.438 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.115 -7.559 10.051 1.00 0.00 C ATOM 1004 C GLU A 64 -7.225 -7.368 9.017 1.00 0.00 C ATOM 1005 O GLU A 64 -8.305 -6.872 9.344 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.159 -6.449 11.102 1.00 0.00 C ATOM 1007 CG GLU A 64 -5.841 -5.062 10.568 1.00 0.00 C ATOM 1008 CD GLU A 64 -5.752 -4.029 11.671 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.801 -3.475 12.059 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.632 -3.777 12.164 1.00 0.00 O ATOM 0 H GLU A 64 -4.358 -6.692 9.316 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.293 -8.520 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.151 -6.432 11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.452 -6.690 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.897 -5.092 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.610 -4.764 9.855 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.964 -7.772 7.780 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.985 -7.740 6.743 1.00 0.00 C ATOM 1019 C PHE A 65 -8.821 -9.017 6.821 1.00 0.00 C ATOM 1020 O PHE A 65 -8.345 -10.100 6.476 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.342 -7.610 5.358 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.165 -6.809 4.389 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.317 -5.443 4.564 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.778 -7.415 3.307 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.069 -4.695 3.680 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.532 -6.672 2.417 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.677 -5.310 2.604 1.00 0.00 C ATOM 0 H PHE A 65 -6.058 -8.124 7.472 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.628 -6.874 6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.362 -7.144 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.178 -8.606 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.841 -4.957 5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.667 -8.479 3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.181 -3.631 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.007 -7.156 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.265 -4.728 1.910 1.00 0.00 H new ATOM 1037 N PRO A 66 -10.075 -8.915 7.289 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.932 -10.073 7.548 1.00 0.00 C ATOM 1039 C PRO A 66 -11.608 -10.613 6.289 1.00 0.00 C ATOM 1040 O PRO A 66 -12.399 -11.556 6.353 1.00 0.00 O ATOM 1041 CB PRO A 66 -11.990 -9.534 8.525 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.661 -8.089 8.749 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.770 -7.668 7.616 1.00 0.00 C ATOM 0 HA PRO A 66 -10.353 -10.911 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.993 -9.645 8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.969 -10.087 9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.568 -7.485 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.160 -7.950 9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.341 -7.286 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.077 -6.882 7.914 1.00 0.00 H new ATOM 1051 N GLN A 67 -11.288 -10.019 5.150 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.890 -10.421 3.887 1.00 0.00 C ATOM 1053 C GLN A 67 -11.098 -11.554 3.244 1.00 0.00 C ATOM 1054 O GLN A 67 -11.625 -12.644 3.030 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.974 -9.227 2.933 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.780 -8.063 3.486 1.00 0.00 C ATOM 1057 CD GLN A 67 -14.240 -8.412 3.725 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -14.878 -7.872 4.627 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.777 -9.313 2.914 1.00 0.00 N ATOM 0 H GLN A 67 -10.615 -9.257 5.073 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.899 -10.781 4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.965 -8.884 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.420 -9.554 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.333 -7.732 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.721 -7.225 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.213 -9.737 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.755 -9.582 3.026 1.00 0.00 H new ATOM 1068 N PHE A 68 -9.829 -11.295 2.952 1.00 0.00 N ATOM 1069 CA PHE A 68 -8.981 -12.268 2.276 1.00 0.00 C ATOM 1070 C PHE A 68 -7.507 -11.934 2.470 1.00 0.00 C ATOM 1071 O PHE A 68 -7.153 -11.137 3.339 1.00 0.00 O ATOM 1072 CB PHE A 68 -9.311 -12.327 0.776 1.00 0.00 C ATOM 1073 CG PHE A 68 -9.401 -10.985 0.090 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.449 -9.994 0.304 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -10.440 -10.727 -0.787 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.540 -8.775 -0.338 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -10.535 -9.509 -1.431 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.583 -8.534 -1.208 1.00 0.00 C ATOM 0 H PHE A 68 -9.363 -10.415 3.174 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.177 -13.245 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.549 -12.924 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.260 -12.848 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.628 -10.180 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.185 -11.487 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.797 -8.012 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.354 -9.319 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.655 -7.583 -1.715 1.00 0.00 H new ATOM 1088 N ASP A 69 -6.661 -12.552 1.658 1.00 0.00 N ATOM 1089 CA ASP A 69 -5.233 -12.277 1.673 1.00 0.00 C ATOM 1090 C ASP A 69 -4.811 -11.675 0.339 1.00 0.00 C ATOM 1091 O ASP A 69 -5.401 -11.968 -0.703 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.434 -13.555 1.951 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.532 -14.565 0.826 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -5.612 -15.174 0.658 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -3.523 -14.778 0.122 1.00 0.00 O ATOM 0 H ASP A 69 -6.944 -13.254 0.974 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.025 -11.565 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.387 -13.296 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.794 -14.010 2.874 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.804 -10.821 0.383 1.00 0.00 N ATOM 1101 CA TRP A 70 -3.319 -10.130 -0.799 1.00 0.00 C ATOM 1102 C TRP A 70 -1.861 -9.722 -0.624 1.00 0.00 C ATOM 1103 O TRP A 70 -1.345 -9.692 0.494 1.00 0.00 O ATOM 1104 CB TRP A 70 -4.191 -8.901 -1.106 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.414 -7.953 0.049 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.980 -8.085 1.340 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -5.144 -6.721 0.002 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.398 -7.016 2.092 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.112 -6.163 1.294 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.822 -6.034 -1.011 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.730 -4.954 1.599 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.435 -4.834 -0.705 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.385 -4.304 0.590 1.00 0.00 C ATOM 0 H TRP A 70 -3.300 -10.587 1.238 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.384 -10.815 -1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.731 -8.347 -1.924 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.162 -9.246 -1.462 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.393 -8.911 1.713 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.208 -6.879 3.085 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.865 -6.434 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.694 -4.544 2.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.962 -4.295 -1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.873 -3.363 0.796 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.198 -9.419 -1.729 1.00 0.00 N ATOM 1125 CA GLN A 71 0.203 -9.026 -1.688 1.00 0.00 C ATOM 1126 C GLN A 71 0.344 -7.514 -1.808 1.00 0.00 C ATOM 1127 O GLN A 71 -0.020 -6.925 -2.819 1.00 0.00 O ATOM 1128 CB GLN A 71 1.006 -9.715 -2.800 1.00 0.00 C ATOM 1129 CG GLN A 71 1.167 -11.223 -2.619 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.068 -12.020 -2.995 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.345 -13.067 -2.416 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -0.810 -11.539 -3.977 1.00 0.00 N ATOM 0 H GLN A 71 -1.606 -9.437 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 71 0.604 -9.343 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.517 -9.526 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.995 -9.260 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.007 -11.565 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.419 -11.430 -1.579 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.547 -10.666 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.645 -12.041 -4.278 1.00 0.00 H new ATOM 1141 N VAL A 72 0.862 -6.888 -0.766 1.00 0.00 N ATOM 1142 CA VAL A 72 1.066 -5.449 -0.769 1.00 0.00 C ATOM 1143 C VAL A 72 2.462 -5.104 -1.277 1.00 0.00 C ATOM 1144 O VAL A 72 3.451 -5.718 -0.875 1.00 0.00 O ATOM 1145 CB VAL A 72 0.865 -4.853 0.640 1.00 0.00 C ATOM 1146 CG1 VAL A 72 1.150 -3.359 0.642 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.549 -5.121 1.138 1.00 0.00 C ATOM 0 H VAL A 72 1.150 -7.354 0.095 1.00 0.00 H new ATOM 0 HA VAL A 72 0.324 -5.014 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 72 1.570 -5.338 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.002 -2.962 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.180 -3.185 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.473 -2.858 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.672 -4.693 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.267 -4.666 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.722 -6.196 1.182 1.00 0.00 H new ATOM 1157 N ALA A 73 2.532 -4.132 -2.172 1.00 0.00 N ATOM 1158 CA ALA A 73 3.801 -3.661 -2.698 1.00 0.00 C ATOM 1159 C ALA A 73 3.863 -2.146 -2.634 1.00 0.00 C ATOM 1160 O ALA A 73 2.837 -1.469 -2.711 1.00 0.00 O ATOM 1161 CB ALA A 73 3.992 -4.133 -4.127 1.00 0.00 C ATOM 0 H ALA A 73 1.717 -3.651 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 73 4.604 -4.073 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.948 -3.771 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.980 -5.223 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.185 -3.745 -4.749 1.00 0.00 H new ATOM 1167 N VAL A 74 5.064 -1.619 -2.494 1.00 0.00 N ATOM 1168 CA VAL A 74 5.266 -0.183 -2.459 1.00 0.00 C ATOM 1169 C VAL A 74 6.143 0.223 -3.635 1.00 0.00 C ATOM 1170 O VAL A 74 7.023 -0.528 -4.045 1.00 0.00 O ATOM 1171 CB VAL A 74 5.899 0.272 -1.119 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.245 -0.398 -0.896 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.040 1.787 -1.061 1.00 0.00 C ATOM 0 H VAL A 74 5.919 -2.167 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 74 4.297 0.310 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 74 5.227 -0.035 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.667 -0.061 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.113 -1.480 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.922 -0.134 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.487 2.075 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.678 2.125 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.057 2.248 -1.154 1.00 0.00 H new ATOM 1183 N ALA A 75 5.879 1.383 -4.200 1.00 0.00 N ATOM 1184 CA ALA A 75 6.572 1.812 -5.397 1.00 0.00 C ATOM 1185 C ALA A 75 7.875 2.533 -5.063 1.00 0.00 C ATOM 1186 O ALA A 75 8.031 3.073 -3.969 1.00 0.00 O ATOM 1187 CB ALA A 75 5.656 2.682 -6.229 1.00 0.00 C ATOM 0 H ALA A 75 5.188 2.046 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 75 6.842 0.930 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.179 3.004 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.769 2.114 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.359 3.556 -5.650 1.00 0.00 H new ATOM 1193 N ASP A 76 8.800 2.534 -6.023 1.00 0.00 N ATOM 1194 CA ASP A 76 10.146 3.086 -5.832 1.00 0.00 C ATOM 1195 C ASP A 76 10.122 4.602 -5.575 1.00 0.00 C ATOM 1196 O ASP A 76 9.968 5.037 -4.437 1.00 0.00 O ATOM 1197 CB ASP A 76 11.017 2.752 -7.051 1.00 0.00 C ATOM 1198 CG ASP A 76 12.444 3.252 -6.929 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.228 2.654 -6.168 1.00 0.00 O ATOM 1200 OD2 ASP A 76 12.791 4.233 -7.624 1.00 0.00 O ATOM 0 H ASP A 76 8.640 2.153 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 76 10.575 2.625 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.030 1.671 -7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.563 3.186 -7.942 1.00 0.00 H new ATOM 1205 N LEU A 77 10.254 5.413 -6.627 1.00 0.00 N ATOM 1206 CA LEU A 77 10.300 6.864 -6.451 1.00 0.00 C ATOM 1207 C LEU A 77 9.780 7.605 -7.685 1.00 0.00 C ATOM 1208 O LEU A 77 8.651 8.102 -7.691 1.00 0.00 O ATOM 1209 CB LEU A 77 11.736 7.301 -6.140 1.00 0.00 C ATOM 1210 CG LEU A 77 11.928 8.791 -5.857 1.00 0.00 C ATOM 1211 CD1 LEU A 77 11.142 9.209 -4.623 1.00 0.00 C ATOM 1212 CD2 LEU A 77 13.404 9.108 -5.687 1.00 0.00 C ATOM 0 H LEU A 77 10.330 5.096 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 77 9.648 7.121 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.089 6.737 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.371 7.025 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 77 11.548 9.357 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.292 10.273 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.082 9.015 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.488 8.639 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.527 10.172 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.806 8.532 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.940 8.847 -6.600 1.00 0.00 H new ATOM 1224 N GLU A 78 10.602 7.649 -8.729 1.00 0.00 N ATOM 1225 CA GLU A 78 10.301 8.387 -9.950 1.00 0.00 C ATOM 1226 C GLU A 78 9.043 7.854 -10.633 1.00 0.00 C ATOM 1227 O GLU A 78 8.333 8.591 -11.320 1.00 0.00 O ATOM 1228 CB GLU A 78 11.491 8.304 -10.899 1.00 0.00 C ATOM 1229 CG GLU A 78 12.790 8.834 -10.305 1.00 0.00 C ATOM 1230 CD GLU A 78 12.707 10.294 -9.897 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.706 11.168 -10.788 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.671 10.574 -8.679 1.00 0.00 O ATOM 0 H GLU A 78 11.502 7.170 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 78 10.114 9.427 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.635 7.265 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.261 8.865 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.056 8.234 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.592 8.712 -11.033 1.00 0.00 H new ATOM 1239 N GLN A 79 8.792 6.565 -10.442 1.00 0.00 N ATOM 1240 CA GLN A 79 7.662 5.865 -11.062 1.00 0.00 C ATOM 1241 C GLN A 79 6.320 6.555 -10.833 1.00 0.00 C ATOM 1242 O GLN A 79 5.408 6.420 -11.645 1.00 0.00 O ATOM 1243 CB GLN A 79 7.593 4.433 -10.528 1.00 0.00 C ATOM 1244 CG GLN A 79 7.928 4.279 -9.044 1.00 0.00 C ATOM 1245 CD GLN A 79 6.908 4.901 -8.108 1.00 0.00 C ATOM 1246 OE1 GLN A 79 5.713 4.920 -8.383 1.00 0.00 O ATOM 1247 NE2 GLN A 79 7.377 5.424 -6.990 1.00 0.00 N ATOM 0 H GLN A 79 9.368 5.967 -9.849 1.00 0.00 H new ATOM 0 HA GLN A 79 7.842 5.873 -12.137 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.589 4.045 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.278 3.813 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.018 3.218 -8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.902 4.731 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.377 5.391 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.739 5.861 -6.324 1.00 0.00 H new ATOM 1256 N SER A 80 6.210 7.276 -9.729 1.00 0.00 N ATOM 1257 CA SER A 80 4.984 7.989 -9.377 1.00 0.00 C ATOM 1258 C SER A 80 4.488 8.851 -10.542 1.00 0.00 C ATOM 1259 O SER A 80 3.282 8.984 -10.760 1.00 0.00 O ATOM 1260 CB SER A 80 5.232 8.860 -8.142 1.00 0.00 C ATOM 1261 OG SER A 80 4.033 9.449 -7.672 1.00 0.00 O ATOM 0 H SER A 80 6.964 7.386 -9.051 1.00 0.00 H new ATOM 0 HA SER A 80 4.211 7.254 -9.154 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.675 8.254 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.951 9.642 -8.386 1.00 0.00 H new ATOM 0 HG SER A 80 4.225 9.997 -6.883 1.00 0.00 H new ATOM 1267 N GLU A 81 5.432 9.407 -11.298 1.00 0.00 N ATOM 1268 CA GLU A 81 5.115 10.268 -12.427 1.00 0.00 C ATOM 1269 C GLU A 81 4.350 9.491 -13.499 1.00 0.00 C ATOM 1270 O GLU A 81 3.276 9.903 -13.942 1.00 0.00 O ATOM 1271 CB GLU A 81 6.412 10.836 -13.015 1.00 0.00 C ATOM 1272 CG GLU A 81 6.210 12.031 -13.932 1.00 0.00 C ATOM 1273 CD GLU A 81 5.748 13.260 -13.179 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.604 13.963 -12.595 1.00 0.00 O ATOM 1275 OE2 GLU A 81 4.531 13.525 -13.158 1.00 0.00 O ATOM 0 H GLU A 81 6.431 9.273 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 81 4.483 11.086 -12.081 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.071 11.127 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.921 10.048 -13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.145 12.253 -14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.476 11.779 -14.697 1.00 0.00 H new ATOM 1282 N ALA A 82 4.904 8.351 -13.891 1.00 0.00 N ATOM 1283 CA ALA A 82 4.335 7.553 -14.967 1.00 0.00 C ATOM 1284 C ALA A 82 3.120 6.755 -14.501 1.00 0.00 C ATOM 1285 O ALA A 82 2.116 6.683 -15.207 1.00 0.00 O ATOM 1286 CB ALA A 82 5.390 6.626 -15.548 1.00 0.00 C ATOM 0 H ALA A 82 5.750 7.958 -13.478 1.00 0.00 H new ATOM 0 HA ALA A 82 3.996 8.238 -15.744 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.952 6.035 -16.352 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.217 7.217 -15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.759 5.960 -14.768 1.00 0.00 H new ATOM 1292 N ILE A 83 3.208 6.158 -13.314 1.00 0.00 N ATOM 1293 CA ILE A 83 2.116 5.334 -12.791 1.00 0.00 C ATOM 1294 C ILE A 83 0.828 6.146 -12.668 1.00 0.00 C ATOM 1295 O ILE A 83 -0.249 5.688 -13.062 1.00 0.00 O ATOM 1296 CB ILE A 83 2.465 4.717 -11.415 1.00 0.00 C ATOM 1297 CG1 ILE A 83 3.621 3.723 -11.552 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.248 4.035 -10.806 1.00 0.00 C ATOM 1299 CD1 ILE A 83 3.978 3.014 -10.261 1.00 0.00 C ATOM 0 H ILE A 83 4.018 6.228 -12.698 1.00 0.00 H new ATOM 0 HA ILE A 83 1.967 4.524 -13.505 1.00 0.00 H new ATOM 0 HB ILE A 83 2.776 5.522 -10.749 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.360 2.978 -12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.500 4.252 -11.920 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.516 3.608 -9.839 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.451 4.766 -10.672 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.905 3.242 -11.470 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.805 2.327 -10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.272 3.749 -9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.114 2.455 -9.902 1.00 0.00 H new ATOM 1311 N GLY A 84 0.951 7.358 -12.143 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.206 8.210 -11.967 1.00 0.00 C ATOM 1313 C GLY A 84 -0.845 8.597 -13.287 1.00 0.00 C ATOM 1314 O GLY A 84 -2.065 8.694 -13.382 1.00 0.00 O ATOM 0 H GLY A 84 1.834 7.766 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.941 7.696 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.089 9.112 -11.431 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.018 8.799 -14.302 1.00 0.00 N ATOM 1319 CA ASP A 85 -0.494 9.236 -15.613 1.00 0.00 C ATOM 1320 C ASP A 85 -1.083 8.064 -16.390 1.00 0.00 C ATOM 1321 O ASP A 85 -2.059 8.217 -17.124 1.00 0.00 O ATOM 1322 CB ASP A 85 0.652 9.857 -16.410 1.00 0.00 C ATOM 1323 CG ASP A 85 0.169 10.627 -17.623 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -0.133 11.833 -17.490 1.00 0.00 O ATOM 1325 OD2 ASP A 85 0.097 10.036 -18.719 1.00 0.00 O ATOM 0 H ASP A 85 0.992 8.667 -14.245 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.273 9.983 -15.461 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.219 10.525 -15.762 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.334 9.070 -16.732 1.00 0.00 H new ATOM 1330 N ARG A 86 -0.471 6.897 -16.197 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.847 5.657 -16.880 1.00 0.00 C ATOM 1332 C ARG A 86 -2.354 5.437 -16.899 1.00 0.00 C ATOM 1333 O ARG A 86 -2.942 5.202 -17.953 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.169 4.471 -16.190 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.663 3.107 -16.652 1.00 0.00 C ATOM 1336 CD ARG A 86 -0.319 2.825 -18.108 1.00 0.00 C ATOM 1337 NE ARG A 86 -0.890 1.556 -18.550 1.00 0.00 N ATOM 1338 CZ ARG A 86 -0.271 0.384 -18.438 1.00 0.00 C ATOM 1339 NH1 ARG A 86 0.977 0.327 -17.994 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -0.889 -0.734 -18.790 1.00 0.00 N ATOM 0 H ARG A 86 0.312 6.783 -15.553 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.516 5.740 -17.915 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.906 4.532 -16.362 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.325 4.555 -15.114 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.225 2.333 -16.022 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.744 3.052 -16.520 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.694 3.633 -18.736 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.764 2.802 -18.231 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.819 1.569 -18.970 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.466 1.184 -17.737 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.448 -0.574 -17.910 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.843 -0.698 -19.149 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.410 -1.631 -18.702 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.972 5.502 -15.734 1.00 0.00 N ATOM 1355 CA PHE A 87 -4.411 5.259 -15.642 1.00 0.00 C ATOM 1356 C PHE A 87 -5.138 6.463 -15.069 1.00 0.00 C ATOM 1357 O PHE A 87 -6.298 6.373 -14.669 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.723 3.983 -14.844 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.779 3.698 -13.710 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.868 4.399 -12.522 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.811 2.713 -13.832 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -3.008 4.126 -11.477 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.947 2.437 -12.790 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.047 3.145 -11.609 1.00 0.00 C ATOM 0 H PHE A 87 -2.515 5.717 -14.848 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.779 5.102 -16.656 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.734 4.060 -14.445 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.714 3.134 -15.527 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.618 5.168 -12.410 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.731 2.155 -14.753 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.088 4.682 -10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.195 1.669 -12.899 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.375 2.932 -10.791 1.00 0.00 H new ATOM 1374 N ASN A 88 -4.432 7.586 -15.057 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.999 8.886 -14.705 1.00 0.00 C ATOM 1376 C ASN A 88 -5.497 8.937 -13.261 1.00 0.00 C ATOM 1377 O ASN A 88 -6.684 8.767 -12.983 1.00 0.00 O ATOM 1378 CB ASN A 88 -6.121 9.272 -15.676 1.00 0.00 C ATOM 1379 CG ASN A 88 -6.555 10.717 -15.511 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -7.497 11.020 -14.777 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -5.862 11.622 -16.185 1.00 0.00 N ATOM 0 H ASN A 88 -3.440 7.623 -15.293 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.192 9.614 -14.790 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.783 9.111 -16.700 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.978 8.617 -15.516 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.102 12.610 -16.106 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.088 11.331 -16.783 1.00 0.00 H new ATOM 1388 N VAL A 89 -4.563 9.141 -12.345 1.00 0.00 N ATOM 1389 CA VAL A 89 -4.890 9.417 -10.947 1.00 0.00 C ATOM 1390 C VAL A 89 -4.697 10.911 -10.687 1.00 0.00 C ATOM 1391 O VAL A 89 -4.725 11.379 -9.548 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.995 8.601 -9.977 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.551 8.626 -8.559 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -3.840 7.170 -10.456 1.00 0.00 C ATOM 0 H VAL A 89 -3.563 9.121 -12.543 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.924 9.124 -10.767 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.011 9.071 -9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.902 8.046 -7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.598 9.656 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.552 8.195 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.208 6.619 -9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.820 6.696 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.380 7.165 -11.444 1.00 0.00 H new ATOM 1404 N ARG A 90 -4.498 11.646 -11.782 1.00 0.00 N ATOM 1405 CA ARG A 90 -4.181 13.072 -11.744 1.00 0.00 C ATOM 1406 C ARG A 90 -2.780 13.271 -11.169 1.00 0.00 C ATOM 1407 O ARG A 90 -2.422 14.367 -10.734 1.00 0.00 O ATOM 1408 CB ARG A 90 -5.211 13.863 -10.924 1.00 0.00 C ATOM 1409 CG ARG A 90 -5.228 15.346 -11.250 1.00 0.00 C ATOM 1410 CD ARG A 90 -5.866 16.159 -10.139 1.00 0.00 C ATOM 1411 NE ARG A 90 -4.981 16.296 -8.981 1.00 0.00 N ATOM 1412 CZ ARG A 90 -5.172 17.179 -8.002 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -6.231 17.981 -8.024 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -4.301 17.260 -7.008 1.00 0.00 N ATOM 0 H ARG A 90 -4.553 11.265 -12.726 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.215 13.453 -12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.203 13.448 -11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.997 13.734 -9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.208 15.694 -11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.775 15.508 -12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.125 17.148 -10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.796 15.683 -9.830 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.171 15.679 -8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.900 17.921 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.375 18.656 -7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.486 16.647 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.445 17.935 -6.257 1.00 0.00 H new ATOM 1428 N ARG A 91 -1.995 12.190 -11.190 1.00 0.00 N ATOM 1429 CA ARG A 91 -0.622 12.203 -10.696 1.00 0.00 C ATOM 1430 C ARG A 91 -0.596 12.586 -9.211 1.00 0.00 C ATOM 1431 O ARG A 91 -0.324 13.733 -8.850 1.00 0.00 O ATOM 1432 CB ARG A 91 0.220 13.158 -11.554 1.00 0.00 C ATOM 1433 CG ARG A 91 1.725 13.010 -11.401 1.00 0.00 C ATOM 1434 CD ARG A 91 2.300 14.053 -10.464 1.00 0.00 C ATOM 1435 NE ARG A 91 3.696 14.342 -10.773 1.00 0.00 N ATOM 1436 CZ ARG A 91 4.460 15.172 -10.070 1.00 0.00 C ATOM 1437 NH1 ARG A 91 3.976 15.770 -8.990 1.00 0.00 N ATOM 1438 NH2 ARG A 91 5.706 15.405 -10.457 1.00 0.00 N ATOM 0 H ARG A 91 -2.296 11.284 -11.550 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.188 11.206 -10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.039 13.004 -12.601 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.055 14.183 -11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.956 12.014 -11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.200 13.097 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.714 14.969 -10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.220 13.702 -9.435 1.00 0.00 H new ATOM 0 HE ARG A 91 4.112 13.878 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.015 15.594 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.565 16.406 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.075 14.948 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.296 16.041 -9.921 1.00 0.00 H new ATOM 1452 N PHE A 92 -0.918 11.617 -8.362 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.023 11.846 -6.927 1.00 0.00 C ATOM 1454 C PHE A 92 -0.637 10.578 -6.163 1.00 0.00 C ATOM 1455 O PHE A 92 -1.059 9.480 -6.530 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.459 12.264 -6.579 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.665 12.624 -5.132 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.284 13.868 -4.655 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.244 11.723 -4.253 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -2.472 14.206 -3.328 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -3.434 12.054 -2.925 1.00 0.00 C ATOM 1462 CZ PHE A 92 -3.048 13.298 -2.462 1.00 0.00 C ATOM 0 H PHE A 92 -1.112 10.657 -8.647 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.340 12.644 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.736 13.118 -7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.135 11.450 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.834 14.583 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.550 10.751 -4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.169 15.179 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.884 11.341 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.197 13.559 -1.425 1.00 0.00 H new ATOM 1472 N PRO A 93 0.189 10.710 -5.111 1.00 0.00 N ATOM 1473 CA PRO A 93 0.606 9.574 -4.279 1.00 0.00 C ATOM 1474 C PRO A 93 -0.546 8.999 -3.460 1.00 0.00 C ATOM 1475 O PRO A 93 -1.113 9.676 -2.600 1.00 0.00 O ATOM 1476 CB PRO A 93 1.677 10.164 -3.350 1.00 0.00 C ATOM 1477 CG PRO A 93 2.021 11.495 -3.929 1.00 0.00 C ATOM 1478 CD PRO A 93 0.790 11.965 -4.647 1.00 0.00 C ATOM 0 HA PRO A 93 0.968 8.746 -4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.301 10.265 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.554 9.518 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.309 12.198 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.866 11.416 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.120 12.514 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.034 12.629 -5.477 1.00 0.00 H new ATOM 1486 N ALA A 94 -0.894 7.752 -3.746 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.956 7.057 -3.033 1.00 0.00 C ATOM 1488 C ALA A 94 -1.831 5.554 -3.244 1.00 0.00 C ATOM 1489 O ALA A 94 -0.904 5.089 -3.907 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.321 7.545 -3.499 1.00 0.00 C ATOM 0 H ALA A 94 -0.450 7.196 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.859 7.272 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.102 7.014 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.409 8.615 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.430 7.356 -4.567 1.00 0.00 H new ATOM 1496 N THR A 95 -2.763 4.798 -2.686 1.00 0.00 N ATOM 1497 CA THR A 95 -2.743 3.353 -2.818 1.00 0.00 C ATOM 1498 C THR A 95 -3.890 2.880 -3.708 1.00 0.00 C ATOM 1499 O THR A 95 -5.064 3.096 -3.391 1.00 0.00 O ATOM 1500 CB THR A 95 -2.847 2.678 -1.439 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.892 3.263 -0.543 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.594 1.182 -1.547 1.00 0.00 C ATOM 0 H THR A 95 -3.542 5.162 -2.138 1.00 0.00 H new ATOM 0 HA THR A 95 -1.796 3.072 -3.278 1.00 0.00 H new ATOM 0 HB THR A 95 -3.856 2.832 -1.055 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.961 2.833 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.673 0.727 -0.559 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.333 0.735 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.595 1.010 -1.947 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.544 2.263 -4.833 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.533 1.721 -5.750 1.00 0.00 C ATOM 1512 C LEU A 96 -4.817 0.263 -5.401 1.00 0.00 C ATOM 1513 O LEU A 96 -3.897 -0.504 -5.113 1.00 0.00 O ATOM 1514 CB LEU A 96 -4.027 1.819 -7.195 1.00 0.00 C ATOM 1515 CG LEU A 96 -4.006 3.216 -7.844 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -5.382 3.589 -8.365 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -3.504 4.297 -6.893 1.00 0.00 C ATOM 0 H LEU A 96 -2.578 2.127 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.452 2.300 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.014 1.418 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.646 1.169 -7.814 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.305 3.159 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.343 4.579 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.699 2.860 -9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.094 3.596 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.510 5.261 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.154 4.344 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.488 4.060 -6.577 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.089 -0.107 -5.424 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.514 -1.449 -5.047 1.00 0.00 C ATOM 1531 C VAL A 97 -6.670 -2.339 -6.279 1.00 0.00 C ATOM 1532 O VAL A 97 -7.437 -2.020 -7.193 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.851 -1.413 -4.274 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.259 -2.810 -3.821 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.757 -0.471 -3.083 1.00 0.00 C ATOM 0 H VAL A 97 -6.852 0.510 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.740 -1.863 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.620 -1.039 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.203 -2.756 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.377 -3.455 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.489 -3.220 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.709 -0.460 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.970 -0.812 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.525 0.535 -3.432 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.946 -3.450 -6.297 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.983 -4.374 -7.421 1.00 0.00 C ATOM 1547 C PHE A 98 -6.396 -5.768 -6.969 1.00 0.00 C ATOM 1548 O PHE A 98 -5.611 -6.487 -6.360 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.613 -4.457 -8.103 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.148 -3.170 -8.715 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.508 -2.214 -7.946 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.351 -2.918 -10.059 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -3.072 -1.034 -8.510 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.917 -1.738 -10.629 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.281 -0.792 -9.852 1.00 0.00 C ATOM 0 H PHE A 98 -5.323 -3.734 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.719 -3.994 -8.130 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.875 -4.785 -7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.653 -5.221 -8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.348 -2.394 -6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.855 -3.652 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.567 -0.299 -7.901 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.075 -1.556 -11.682 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.948 0.136 -10.293 1.00 0.00 H new ATOM 1565 N THR A 99 -7.629 -6.139 -7.254 1.00 0.00 N ATOM 1566 CA THR A 99 -8.083 -7.497 -7.017 1.00 0.00 C ATOM 1567 C THR A 99 -8.612 -8.062 -8.321 1.00 0.00 C ATOM 1568 O THR A 99 -8.996 -7.295 -9.208 1.00 0.00 O ATOM 1569 CB THR A 99 -9.179 -7.578 -5.931 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.327 -6.818 -6.325 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.663 -7.070 -4.592 1.00 0.00 C ATOM 0 H THR A 99 -8.335 -5.519 -7.650 1.00 0.00 H new ATOM 0 HA THR A 99 -7.235 -8.078 -6.653 1.00 0.00 H new ATOM 0 HB THR A 99 -9.461 -8.625 -5.819 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.014 -6.879 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.456 -7.139 -3.847 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.814 -7.676 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.349 -6.031 -4.693 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.607 -9.385 -8.452 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.038 -10.047 -9.686 1.00 0.00 C ATOM 1581 C ASP A 100 -8.039 -9.787 -10.807 1.00 0.00 C ATOM 1582 O ASP A 100 -8.328 -10.035 -11.982 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.418 -9.549 -10.141 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.556 -9.955 -9.229 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.054 -11.091 -9.368 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.987 -9.121 -8.401 1.00 0.00 O ATOM 0 H ASP A 100 -8.308 -10.025 -7.717 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.096 -11.114 -9.472 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.394 -8.462 -10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.617 -9.929 -11.143 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.863 -9.297 -10.439 1.00 0.00 N ATOM 1592 CA GLY A 101 -5.896 -8.859 -11.423 1.00 0.00 C ATOM 1593 C GLY A 101 -6.350 -7.596 -12.126 1.00 0.00 C ATOM 1594 O GLY A 101 -5.872 -7.277 -13.214 1.00 0.00 O ATOM 0 H GLY A 101 -6.561 -9.195 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.937 -8.681 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.740 -9.649 -12.158 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.277 -6.879 -11.505 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.856 -5.697 -12.119 1.00 0.00 C ATOM 1600 C LYS A 102 -7.918 -4.538 -11.123 1.00 0.00 C ATOM 1601 O LYS A 102 -8.083 -4.747 -9.921 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.258 -6.043 -12.614 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.780 -5.137 -13.711 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.142 -5.605 -14.186 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.568 -4.908 -15.462 1.00 0.00 C ATOM 1606 NZ LYS A 102 -12.910 -5.362 -15.899 1.00 0.00 N ATOM 0 H LYS A 102 -7.642 -7.097 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.231 -5.382 -12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.257 -7.070 -12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.947 -6.005 -11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.849 -4.113 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.080 -5.128 -14.547 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.118 -6.682 -14.352 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.881 -5.419 -13.407 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.580 -3.830 -15.304 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.840 -5.107 -16.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.175 -4.868 -16.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.890 -6.387 -16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.607 -5.150 -15.157 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.778 -3.317 -11.625 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.878 -2.131 -10.785 1.00 0.00 C ATOM 1622 C LEU A 103 -9.317 -1.933 -10.314 1.00 0.00 C ATOM 1623 O LEU A 103 -10.243 -1.836 -11.124 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.395 -0.891 -11.547 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.454 0.423 -10.763 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.625 0.331 -9.492 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.977 1.579 -11.628 1.00 0.00 C ATOM 0 H LEU A 103 -7.595 -3.123 -12.609 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.241 -2.273 -9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.366 -1.059 -11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.995 -0.783 -12.450 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.491 0.606 -10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.682 1.276 -8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.011 -0.471 -8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.587 0.122 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.025 2.506 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.949 1.399 -11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.615 1.662 -12.508 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.501 -1.885 -9.004 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.830 -1.744 -8.425 1.00 0.00 C ATOM 1641 C ARG A 104 -11.079 -0.325 -7.917 1.00 0.00 C ATOM 1642 O ARG A 104 -12.212 0.155 -7.931 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.021 -2.751 -7.292 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.073 -4.197 -7.761 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.203 -4.416 -8.752 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.431 -5.832 -9.039 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.340 -6.272 -9.907 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.007 -5.411 -10.669 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.556 -7.573 -10.035 1.00 0.00 N ATOM 0 H ARG A 104 -8.747 -1.942 -8.320 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.557 -1.945 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.206 -2.639 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.944 -2.517 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.123 -4.466 -8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.207 -4.855 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.119 -3.977 -8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.974 -3.893 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.862 -6.521 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.823 -4.411 -10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.703 -5.750 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.026 -8.236 -9.469 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.252 -7.911 -10.699 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.026 0.342 -7.466 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.177 1.696 -6.960 1.00 0.00 C ATOM 1665 C GLY A 105 -8.925 2.204 -6.277 1.00 0.00 C ATOM 1666 O GLY A 105 -7.851 1.629 -6.444 1.00 0.00 O ATOM 0 H GLY A 105 -9.075 -0.025 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.433 2.362 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.009 1.726 -6.256 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.063 3.276 -5.506 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.937 3.873 -4.800 1.00 0.00 C ATOM 1672 C ALA A 106 -8.396 4.516 -3.498 1.00 0.00 C ATOM 1673 O ALA A 106 -9.585 4.776 -3.316 1.00 0.00 O ATOM 1674 CB ALA A 106 -7.255 4.911 -5.679 1.00 0.00 C ATOM 0 H ALA A 106 -9.952 3.753 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.225 3.082 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.415 5.349 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.892 4.435 -6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.968 5.694 -5.938 1.00 0.00 H new ATOM 1680 N LEU A 107 -7.452 4.770 -2.603 1.00 0.00 N ATOM 1681 CA LEU A 107 -7.758 5.403 -1.325 1.00 0.00 C ATOM 1682 C LEU A 107 -7.776 6.924 -1.451 1.00 0.00 C ATOM 1683 O LEU A 107 -6.738 7.581 -1.348 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.749 4.986 -0.249 1.00 0.00 C ATOM 1685 CG LEU A 107 -7.089 3.706 0.518 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -8.412 3.863 1.251 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -7.124 2.501 -0.412 1.00 0.00 C ATOM 0 H LEU A 107 -6.466 4.548 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.751 5.066 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.775 4.857 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.651 5.802 0.467 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.304 3.533 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.640 2.944 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.341 4.691 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.205 4.066 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.368 1.606 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.880 2.657 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.149 2.376 -0.882 1.00 0.00 H new ATOM 1699 N SER A 108 -8.958 7.477 -1.673 1.00 0.00 N ATOM 1700 CA SER A 108 -9.115 8.916 -1.808 1.00 0.00 C ATOM 1701 C SER A 108 -9.750 9.504 -0.553 1.00 0.00 C ATOM 1702 O SER A 108 -10.664 8.911 0.025 1.00 0.00 O ATOM 1703 CB SER A 108 -9.973 9.235 -3.033 1.00 0.00 C ATOM 1704 OG SER A 108 -9.523 8.509 -4.167 1.00 0.00 O ATOM 0 H SER A 108 -9.826 6.948 -1.764 1.00 0.00 H new ATOM 0 HA SER A 108 -8.130 9.364 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.015 8.988 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.934 10.304 -3.241 1.00 0.00 H new ATOM 0 HG SER A 108 -10.086 8.726 -4.939 1.00 0.00 H new ATOM 1710 N GLY A 109 -9.251 10.659 -0.129 1.00 0.00 N ATOM 1711 CA GLY A 109 -9.780 11.310 1.049 1.00 0.00 C ATOM 1712 C GLY A 109 -8.771 11.349 2.172 1.00 0.00 C ATOM 1713 O GLY A 109 -7.709 10.734 2.076 1.00 0.00 O ATOM 0 H GLY A 109 -8.486 11.156 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.082 12.327 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.675 10.785 1.383 1.00 0.00 H new ATOM 1717 N ILE A 110 -9.087 12.078 3.230 1.00 0.00 N ATOM 1718 CA ILE A 110 -8.221 12.145 4.397 1.00 0.00 C ATOM 1719 C ILE A 110 -9.001 11.738 5.640 1.00 0.00 C ATOM 1720 O ILE A 110 -9.640 12.565 6.290 1.00 0.00 O ATOM 1721 CB ILE A 110 -7.619 13.557 4.603 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -6.869 14.007 3.346 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -6.683 13.564 5.807 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -6.268 15.393 3.452 1.00 0.00 C ATOM 0 H ILE A 110 -9.939 12.633 3.305 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.393 11.456 4.228 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.434 14.256 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.074 13.292 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.554 13.983 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.268 14.563 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -7.238 13.281 6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.873 12.853 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.754 15.639 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.060 16.120 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.557 15.419 4.278 1.00 0.00 H new ATOM 1736 N HIS A 111 -8.979 10.449 5.936 1.00 0.00 N ATOM 1737 CA HIS A 111 -9.703 9.906 7.073 1.00 0.00 C ATOM 1738 C HIS A 111 -8.958 8.713 7.651 1.00 0.00 C ATOM 1739 O HIS A 111 -8.278 7.993 6.924 1.00 0.00 O ATOM 1740 CB HIS A 111 -11.116 9.489 6.653 1.00 0.00 C ATOM 1741 CG HIS A 111 -12.153 10.541 6.890 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -12.429 11.556 6.004 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -12.980 10.729 7.939 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -13.378 12.323 6.503 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -13.733 11.846 7.680 1.00 0.00 N ATOM 0 H HIS A 111 -8.462 9.753 5.398 1.00 0.00 H new ATOM 0 HA HIS A 111 -9.777 10.679 7.838 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -11.109 9.232 5.594 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -11.396 8.587 7.198 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -13.039 10.112 8.823 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -13.796 13.198 6.027 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -14.446 12.240 8.293 1.00 0.00 H new ATOM 1754 N PRO A 112 -9.055 8.500 8.969 1.00 0.00 N ATOM 1755 CA PRO A 112 -8.442 7.356 9.632 1.00 0.00 C ATOM 1756 C PRO A 112 -9.315 6.111 9.530 1.00 0.00 C ATOM 1757 O PRO A 112 -10.211 5.909 10.352 1.00 0.00 O ATOM 1758 CB PRO A 112 -8.309 7.805 11.099 1.00 0.00 C ATOM 1759 CG PRO A 112 -8.916 9.176 11.176 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.743 9.357 9.934 1.00 0.00 C ATOM 0 HA PRO A 112 -7.489 7.083 9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -8.824 7.114 11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.263 7.825 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.533 9.276 12.069 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -8.140 9.939 11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.777 9.048 10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.766 10.397 9.609 1.00 0.00 H new ATOM 1768 N TRP A 113 -9.093 5.328 8.467 1.00 0.00 N ATOM 1769 CA TRP A 113 -9.782 4.050 8.249 1.00 0.00 C ATOM 1770 C TRP A 113 -11.235 4.275 7.794 1.00 0.00 C ATOM 1771 O TRP A 113 -11.906 3.354 7.324 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.738 3.192 9.527 1.00 0.00 C ATOM 1773 CG TRP A 113 -9.878 1.717 9.292 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.012 1.042 8.950 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -8.846 0.732 9.410 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.748 -0.298 8.834 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.425 -0.515 9.112 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.486 0.784 9.732 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.695 -1.698 9.129 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.762 -0.392 9.750 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.368 -1.618 9.448 1.00 0.00 C ATOM 0 H TRP A 113 -8.428 5.564 7.731 1.00 0.00 H new ATOM 0 HA TRP A 113 -9.262 3.515 7.454 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.795 3.377 10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.535 3.518 10.196 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.979 1.497 8.793 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.427 -1.016 8.582 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.011 1.726 9.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.159 -2.646 8.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.712 -0.366 10.001 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.774 -2.520 9.468 1.00 0.00 H new ATOM 1792 N ALA A 114 -11.707 5.511 7.904 1.00 0.00 N ATOM 1793 CA ALA A 114 -13.088 5.839 7.578 1.00 0.00 C ATOM 1794 C ALA A 114 -13.331 5.841 6.071 1.00 0.00 C ATOM 1795 O ALA A 114 -14.472 5.741 5.625 1.00 0.00 O ATOM 1796 CB ALA A 114 -13.471 7.178 8.185 1.00 0.00 C ATOM 0 H ALA A 114 -11.150 6.306 8.218 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.722 5.063 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.506 7.409 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.364 7.130 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.818 7.957 7.790 1.00 0.00 H new ATOM 1802 N GLU A 115 -12.264 5.946 5.290 1.00 0.00 N ATOM 1803 CA GLU A 115 -12.390 5.880 3.841 1.00 0.00 C ATOM 1804 C GLU A 115 -12.325 4.428 3.392 1.00 0.00 C ATOM 1805 O GLU A 115 -13.034 4.019 2.467 1.00 0.00 O ATOM 1806 CB GLU A 115 -11.323 6.728 3.126 1.00 0.00 C ATOM 1807 CG GLU A 115 -10.215 7.263 4.027 1.00 0.00 C ATOM 1808 CD GLU A 115 -9.218 6.201 4.443 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -9.562 5.373 5.312 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -8.085 6.210 3.910 1.00 0.00 O ATOM 0 H GLU A 115 -11.312 6.076 5.631 1.00 0.00 H new ATOM 0 HA GLU A 115 -13.357 6.301 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.871 6.126 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.815 7.571 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.688 8.063 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.661 7.702 4.919 1.00 0.00 H new ATOM 1817 N LEU A 116 -11.487 3.654 4.076 1.00 0.00 N ATOM 1818 CA LEU A 116 -11.407 2.211 3.871 1.00 0.00 C ATOM 1819 C LEU A 116 -12.761 1.554 4.105 1.00 0.00 C ATOM 1820 O LEU A 116 -13.127 0.615 3.404 1.00 0.00 O ATOM 1821 CB LEU A 116 -10.374 1.600 4.821 1.00 0.00 C ATOM 1822 CG LEU A 116 -8.912 1.822 4.434 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -7.999 1.484 5.602 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -8.553 0.969 3.226 1.00 0.00 C ATOM 0 H LEU A 116 -10.846 4.008 4.786 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.104 2.033 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.534 2.011 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.556 0.527 4.886 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.776 2.872 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.961 1.647 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.243 2.123 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.138 0.440 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.509 1.136 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.702 -0.084 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.190 1.243 2.385 1.00 0.00 H new ATOM 1836 N LEU A 117 -13.495 2.062 5.090 1.00 0.00 N ATOM 1837 CA LEU A 117 -14.797 1.513 5.456 1.00 0.00 C ATOM 1838 C LEU A 117 -15.734 1.426 4.255 1.00 0.00 C ATOM 1839 O LEU A 117 -16.232 0.348 3.920 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.439 2.374 6.547 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.740 1.650 7.860 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -16.722 0.514 7.630 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.454 1.131 8.481 1.00 0.00 C ATOM 0 H LEU A 117 -13.207 2.861 5.654 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.635 0.502 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -14.779 3.215 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.369 2.789 6.159 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.196 2.358 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -16.924 0.011 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -17.652 0.913 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.295 -0.198 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.682 0.618 9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -13.973 0.436 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.783 1.967 8.681 1.00 0.00 H new ATOM 1855 N THR A 118 -15.969 2.559 3.610 1.00 0.00 N ATOM 1856 CA THR A 118 -16.901 2.622 2.498 1.00 0.00 C ATOM 1857 C THR A 118 -16.358 1.880 1.276 1.00 0.00 C ATOM 1858 O THR A 118 -17.103 1.191 0.575 1.00 0.00 O ATOM 1859 CB THR A 118 -17.199 4.086 2.122 1.00 0.00 C ATOM 1860 OG1 THR A 118 -17.361 4.865 3.313 1.00 0.00 O ATOM 1861 CG2 THR A 118 -18.461 4.183 1.278 1.00 0.00 C ATOM 0 H THR A 118 -15.525 3.448 3.840 1.00 0.00 H new ATOM 0 HA THR A 118 -17.824 2.138 2.817 1.00 0.00 H new ATOM 0 HB THR A 118 -16.361 4.469 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.549 5.796 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.650 5.226 1.025 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.332 3.606 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 118 -19.306 3.787 1.841 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.057 2.004 1.034 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.432 1.349 -0.107 1.00 0.00 C ATOM 1871 C LEU A 119 -14.476 -0.165 0.050 1.00 0.00 C ATOM 1872 O LEU A 119 -14.725 -0.890 -0.913 1.00 0.00 O ATOM 1873 CB LEU A 119 -12.990 1.827 -0.280 1.00 0.00 C ATOM 1874 CG LEU A 119 -12.842 3.302 -0.661 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -11.376 3.682 -0.759 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -13.557 3.590 -1.974 1.00 0.00 C ATOM 0 H LEU A 119 -14.418 2.550 1.611 1.00 0.00 H new ATOM 0 HA LEU A 119 -14.993 1.617 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.450 1.651 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -12.510 1.219 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 119 -13.303 3.906 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.290 4.734 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.892 3.515 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.892 3.070 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -13.441 4.644 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -13.126 2.976 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -14.617 3.357 -1.870 1.00 0.00 H new ATOM 1888 N MET A 120 -14.243 -0.634 1.270 1.00 0.00 N ATOM 1889 CA MET A 120 -14.332 -2.056 1.582 1.00 0.00 C ATOM 1890 C MET A 120 -15.725 -2.585 1.254 1.00 0.00 C ATOM 1891 O MET A 120 -15.872 -3.650 0.661 1.00 0.00 O ATOM 1892 CB MET A 120 -14.009 -2.293 3.063 1.00 0.00 C ATOM 1893 CG MET A 120 -14.110 -3.747 3.501 1.00 0.00 C ATOM 1894 SD MET A 120 -13.664 -3.980 5.234 1.00 0.00 S ATOM 1895 CE MET A 120 -14.873 -2.936 6.042 1.00 0.00 C ATOM 0 H MET A 120 -13.989 -0.046 2.064 1.00 0.00 H new ATOM 0 HA MET A 120 -13.604 -2.593 0.974 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.000 -1.934 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.687 -1.695 3.671 1.00 0.00 H new ATOM 0 HG2 MET A 120 -15.128 -4.101 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 120 -13.458 -4.357 2.876 1.00 0.00 H new ATOM 0 HE1 MET A 120 -15.167 -3.387 6.990 1.00 0.00 H new ATOM 0 HE2 MET A 120 -14.440 -1.953 6.227 1.00 0.00 H new ATOM 0 HE3 MET A 120 -15.749 -2.832 5.402 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.740 -1.808 1.616 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.128 -2.183 1.370 1.00 0.00 C ATOM 1907 C ARG A 121 -18.392 -2.394 -0.123 1.00 0.00 C ATOM 1908 O ARG A 121 -19.033 -3.369 -0.515 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.068 -1.104 1.919 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.541 -1.376 1.645 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.014 -2.684 2.264 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.121 -2.606 3.721 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.503 -3.626 4.492 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.766 -4.814 3.952 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -21.616 -3.455 5.803 1.00 0.00 N ATOM 0 H ARG A 121 -16.626 -0.909 2.084 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.318 -3.126 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.918 -1.018 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.798 -0.143 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.139 -0.554 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.708 -1.405 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.984 -2.951 1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.321 -3.481 1.996 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.890 -1.721 4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.676 -4.948 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.058 -5.591 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.411 -2.546 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.908 -4.232 6.395 1.00 0.00 H new ATOM 1929 N SER A 122 -17.904 -1.476 -0.945 1.00 0.00 N ATOM 1930 CA SER A 122 -18.123 -1.524 -2.369 1.00 0.00 C ATOM 1931 C SER A 122 -17.272 -2.599 -3.053 1.00 0.00 C ATOM 1932 O SER A 122 -17.768 -3.348 -3.897 1.00 0.00 O ATOM 1933 CB SER A 122 -17.789 -0.153 -2.942 1.00 0.00 C ATOM 1934 OG SER A 122 -18.555 0.868 -2.326 1.00 0.00 O ATOM 0 H SER A 122 -17.346 -0.680 -0.636 1.00 0.00 H new ATOM 0 HA SER A 122 -19.165 -1.785 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 122 -16.728 0.052 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.975 -0.151 -4.016 1.00 0.00 H new ATOM 0 HG SER A 122 -18.200 1.048 -1.430 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.998 -2.679 -2.685 1.00 0.00 N ATOM 1941 CA ILE A 123 -15.050 -3.529 -3.400 1.00 0.00 C ATOM 1942 C ILE A 123 -15.137 -4.993 -2.968 1.00 0.00 C ATOM 1943 O ILE A 123 -15.120 -5.894 -3.807 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.601 -3.021 -3.223 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.477 -1.577 -3.719 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.618 -3.920 -3.960 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -13.947 -1.372 -5.147 1.00 0.00 C ATOM 0 H ILE A 123 -15.598 -2.168 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 123 -15.325 -3.473 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.358 -3.048 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -14.054 -0.927 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -12.435 -1.266 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.605 -3.542 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.685 -4.934 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.859 -3.929 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -13.827 -0.324 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -13.355 -1.994 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -14.998 -1.650 -5.228 1.00 0.00 H new ATOM 1959 N VAL A 124 -15.247 -5.234 -1.670 1.00 0.00 N ATOM 1960 CA VAL A 124 -15.238 -6.595 -1.157 1.00 0.00 C ATOM 1961 C VAL A 124 -16.495 -6.881 -0.344 1.00 0.00 C ATOM 1962 O VAL A 124 -16.482 -6.945 0.884 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.955 -6.903 -0.344 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.754 -6.971 -1.274 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.715 -5.859 0.731 1.00 0.00 C ATOM 0 H VAL A 124 -15.343 -4.510 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.234 -7.265 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 124 -14.093 -7.867 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.857 -7.188 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.909 -7.759 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.634 -6.015 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.807 -6.106 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.603 -4.879 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.562 -5.841 1.417 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.589 -7.047 -1.071 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.897 -7.334 -0.485 1.00 0.00 C ATOM 1977 C ASP A 125 -18.969 -8.785 0.014 1.00 0.00 C ATOM 1978 O ASP A 125 -19.950 -9.198 0.635 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.978 -7.073 -1.539 1.00 0.00 C ATOM 1980 CG ASP A 125 -21.392 -7.242 -1.019 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.891 -6.333 -0.318 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -22.023 -8.270 -1.335 1.00 0.00 O ATOM 0 H ASP A 125 -17.599 -6.987 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 125 -19.057 -6.684 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.861 -6.060 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.826 -7.752 -2.378 1.00 0.00 H new