USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= -1.45! C(o=-1.5!,f=-8!) USER MOD Set 1.2: A 101 GLN : amide:sc= -0.0394 K(o=-1.5,f=-10!) USER MOD Set 2.1: A 97 THR OG1 : rot -180:sc= -1.07 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.418 USER MOD Set 3.1: A 45 THR OG1 : rot -89:sc= -0.0578 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 0.569 USER MOD Set 4.2: A 34 THR OG1 : rot -93:sc= 0.634 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -13:sc= 0.789 USER MOD Single : A 50 SER OG : rot 180:sc=-0.000782 USER MOD Single : A 51 ASN : amide:sc= 0.209 K(o=0.21,f=-2.1) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 147:sc= 0.441 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -5.02 K(o=-5,f=-10!) USER MOD Single : A 74 THR OG1 : rot 59:sc= -0.701! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.13 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0382) USER MOD Single : A 94 THR OG1 : rot -150:sc= 0 USER MOD Single : A 99 SER OG : rot -49:sc= 0.377 USER MOD Single : A 107 SER OG : rot 0:sc= -3.17! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.270 2.870 1.181 1.00 0.00 N ATOM 186 CA GLY A 16 -16.183 2.265 0.435 1.00 0.00 C ATOM 187 C GLY A 16 -16.669 1.491 -0.775 1.00 0.00 C ATOM 188 O GLY A 16 -17.862 1.458 -1.079 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.492 3.043 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.625 1.596 1.090 1.00 0.00 H new ATOM 192 N PRO A 17 -15.731 0.850 -1.488 1.00 0.00 N ATOM 193 CA PRO A 17 -14.309 0.883 -1.136 1.00 0.00 C ATOM 194 C PRO A 17 -13.686 2.255 -1.366 1.00 0.00 C ATOM 195 O PRO A 17 -14.154 3.047 -2.184 1.00 0.00 O ATOM 196 CB PRO A 17 -13.687 -0.151 -2.078 1.00 0.00 C ATOM 197 CG PRO A 17 -14.611 -0.205 -3.245 1.00 0.00 C ATOM 198 CD PRO A 17 -15.988 0.046 -2.695 1.00 0.00 C ATOM 0 HA PRO A 17 -14.146 0.671 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.683 0.144 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.601 -1.125 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.345 0.546 -3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.559 -1.175 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.615 0.581 -3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.501 -0.885 -2.456 1.00 0.00 H new ATOM 206 N PRO A 18 -12.604 2.546 -0.628 1.00 0.00 N ATOM 207 CA PRO A 18 -11.893 3.823 -0.735 1.00 0.00 C ATOM 208 C PRO A 18 -11.149 3.964 -2.059 1.00 0.00 C ATOM 209 O PRO A 18 -10.564 3.003 -2.558 1.00 0.00 O ATOM 210 CB PRO A 18 -10.903 3.777 0.432 1.00 0.00 C ATOM 211 CG PRO A 18 -10.687 2.326 0.688 1.00 0.00 C ATOM 212 CD PRO A 18 -11.991 1.650 0.367 1.00 0.00 C ATOM 0 HA PRO A 18 -12.575 4.673 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.969 4.278 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.305 4.279 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.882 1.936 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.402 2.151 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.836 0.649 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.618 1.544 1.253 1.00 0.00 H new ATOM 220 N ALA A 19 -11.175 5.167 -2.622 1.00 0.00 N ATOM 221 CA ALA A 19 -10.501 5.433 -3.887 1.00 0.00 C ATOM 222 C ALA A 19 -9.013 5.114 -3.794 1.00 0.00 C ATOM 223 O ALA A 19 -8.285 5.669 -2.970 1.00 0.00 O ATOM 224 CB ALA A 19 -10.707 6.883 -4.300 1.00 0.00 C ATOM 0 H ALA A 19 -11.655 5.973 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.938 4.785 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.198 7.068 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.773 7.080 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.298 7.541 -3.534 1.00 0.00 H new ATOM 230 N PRO A 20 -8.548 4.198 -4.656 1.00 0.00 N ATOM 231 CA PRO A 20 -7.142 3.784 -4.690 1.00 0.00 C ATOM 232 C PRO A 20 -6.226 4.885 -5.214 1.00 0.00 C ATOM 233 O PRO A 20 -6.616 5.708 -6.043 1.00 0.00 O ATOM 234 CB PRO A 20 -7.147 2.591 -5.649 1.00 0.00 C ATOM 235 CG PRO A 20 -8.332 2.813 -6.524 1.00 0.00 C ATOM 236 CD PRO A 20 -9.359 3.496 -5.665 1.00 0.00 C ATOM 0 HA PRO A 20 -6.762 3.548 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.227 2.548 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.226 1.648 -5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.071 3.429 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.713 1.868 -6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.969 4.190 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.040 2.779 -5.206 1.00 0.00 H new ATOM 244 N PRO A 21 -4.979 4.903 -4.721 1.00 0.00 N ATOM 245 CA PRO A 21 -3.982 5.898 -5.127 1.00 0.00 C ATOM 246 C PRO A 21 -3.515 5.698 -6.565 1.00 0.00 C ATOM 247 O PRO A 21 -3.867 4.710 -7.208 1.00 0.00 O ATOM 248 CB PRO A 21 -2.826 5.659 -4.152 1.00 0.00 C ATOM 249 CG PRO A 21 -2.970 4.236 -3.735 1.00 0.00 C ATOM 250 CD PRO A 21 -4.446 3.953 -3.730 1.00 0.00 C ATOM 0 HA PRO A 21 -4.382 6.912 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.862 5.836 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.885 6.330 -3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.448 3.573 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.538 4.073 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.658 2.921 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.883 4.113 -2.744 1.00 0.00 H new ATOM 258 N GLN A 22 -2.722 6.642 -7.061 1.00 0.00 N ATOM 259 CA GLN A 22 -2.209 6.568 -8.424 1.00 0.00 C ATOM 260 C GLN A 22 -0.782 7.103 -8.497 1.00 0.00 C ATOM 261 O GLN A 22 -0.203 7.494 -7.484 1.00 0.00 O ATOM 262 CB GLN A 22 -3.111 7.356 -9.375 1.00 0.00 C ATOM 263 CG GLN A 22 -4.509 6.775 -9.508 1.00 0.00 C ATOM 264 CD GLN A 22 -5.509 7.778 -10.049 1.00 0.00 C ATOM 265 OE1 GLN A 22 -5.141 8.727 -10.743 1.00 0.00 O ATOM 266 NE2 GLN A 22 -6.783 7.574 -9.735 1.00 0.00 N ATOM 0 H GLN A 22 -2.421 7.466 -6.540 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.202 5.521 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.186 8.385 -9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.645 7.390 -10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.477 5.908 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.846 6.422 -8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.044 6.775 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.500 8.216 -10.071 1.00 0.00 H new ATOM 275 N ASP A 23 -0.222 7.115 -9.702 1.00 0.00 N ATOM 276 CA ASP A 23 1.137 7.603 -9.908 1.00 0.00 C ATOM 277 C ASP A 23 2.130 6.821 -9.054 1.00 0.00 C ATOM 278 O ASP A 23 3.170 7.345 -8.655 1.00 0.00 O ATOM 279 CB ASP A 23 1.223 9.093 -9.577 1.00 0.00 C ATOM 280 CG ASP A 23 2.293 9.804 -10.381 1.00 0.00 C ATOM 281 OD1 ASP A 23 2.365 9.575 -11.607 1.00 0.00 O ATOM 282 OD2 ASP A 23 3.058 10.591 -9.785 1.00 0.00 O ATOM 0 H ASP A 23 -0.688 6.793 -10.550 1.00 0.00 H new ATOM 0 HA ASP A 23 1.394 7.457 -10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.257 9.561 -9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.431 9.215 -8.514 1.00 0.00 H new ATOM 287 N VAL A 24 1.801 5.563 -8.774 1.00 0.00 N ATOM 288 CA VAL A 24 2.664 4.709 -7.967 1.00 0.00 C ATOM 289 C VAL A 24 4.024 4.520 -8.628 1.00 0.00 C ATOM 290 O VAL A 24 4.112 4.178 -9.808 1.00 0.00 O ATOM 291 CB VAL A 24 2.024 3.328 -7.731 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.906 2.477 -6.830 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.631 3.481 -7.138 1.00 0.00 C ATOM 0 H VAL A 24 0.943 5.114 -9.094 1.00 0.00 H new ATOM 0 HA VAL A 24 2.796 5.209 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 24 1.931 2.821 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.437 1.505 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.880 2.339 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.034 2.976 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.194 2.496 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.697 4.008 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.004 4.049 -7.825 1.00 0.00 H new ATOM 303 N THR A 25 5.086 4.745 -7.860 1.00 0.00 N ATOM 304 CA THR A 25 6.443 4.600 -8.371 1.00 0.00 C ATOM 305 C THR A 25 7.406 4.184 -7.265 1.00 0.00 C ATOM 306 O THR A 25 7.051 4.189 -6.086 1.00 0.00 O ATOM 307 CB THR A 25 6.946 5.909 -9.008 1.00 0.00 C ATOM 308 OG1 THR A 25 8.376 5.895 -9.093 1.00 0.00 O ATOM 309 CG2 THR A 25 6.493 7.114 -8.197 1.00 0.00 C ATOM 0 H THR A 25 5.032 5.028 -6.882 1.00 0.00 H new ATOM 0 HA THR A 25 6.412 3.822 -9.133 1.00 0.00 H new ATOM 0 HB THR A 25 6.524 5.985 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.688 6.730 -9.501 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.860 8.027 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.404 7.138 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.890 7.041 -7.185 1.00 0.00 H new ATOM 317 N VAL A 26 8.626 3.825 -7.652 1.00 0.00 N ATOM 318 CA VAL A 26 9.640 3.407 -6.692 1.00 0.00 C ATOM 319 C VAL A 26 10.937 4.185 -6.889 1.00 0.00 C ATOM 320 O VAL A 26 11.641 3.995 -7.880 1.00 0.00 O ATOM 321 CB VAL A 26 9.936 1.900 -6.808 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.064 1.503 -5.867 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.682 1.088 -6.523 1.00 0.00 C ATOM 0 H VAL A 26 8.936 3.815 -8.624 1.00 0.00 H new ATOM 0 HA VAL A 26 9.241 3.616 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 26 10.255 1.687 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.259 0.435 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.965 2.061 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.777 1.729 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.909 0.025 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.331 1.303 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.906 1.353 -7.241 1.00 0.00 H new ATOM 333 N GLN A 27 11.245 5.061 -5.938 1.00 0.00 N ATOM 334 CA GLN A 27 12.457 5.868 -6.008 1.00 0.00 C ATOM 335 C GLN A 27 13.639 5.131 -5.386 1.00 0.00 C ATOM 336 O GLN A 27 14.501 4.611 -6.094 1.00 0.00 O ATOM 337 CB GLN A 27 12.246 7.207 -5.299 1.00 0.00 C ATOM 338 CG GLN A 27 11.073 8.006 -5.845 1.00 0.00 C ATOM 339 CD GLN A 27 11.479 8.950 -6.959 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.030 10.023 -6.710 1.00 0.00 O ATOM 341 NE2 GLN A 27 11.208 8.556 -8.198 1.00 0.00 N ATOM 0 H GLN A 27 10.672 5.230 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 27 12.679 6.053 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.088 7.025 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.154 7.803 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.311 7.320 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.620 8.579 -5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.750 7.659 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.458 9.150 -8.988 1.00 0.00 H new ATOM 350 N ALA A 28 13.672 5.092 -4.058 1.00 0.00 N ATOM 351 CA ALA A 28 14.747 4.417 -3.340 1.00 0.00 C ATOM 352 C ALA A 28 14.504 4.445 -1.835 1.00 0.00 C ATOM 353 O ALA A 28 13.991 5.425 -1.297 1.00 0.00 O ATOM 354 CB ALA A 28 16.086 5.057 -3.673 1.00 0.00 C ATOM 0 H ALA A 28 12.967 5.520 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 28 14.766 3.375 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.880 4.544 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.270 4.979 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.069 6.108 -3.383 1.00 0.00 H new ATOM 360 N GLY A 29 14.876 3.361 -1.160 1.00 0.00 N ATOM 361 CA GLY A 29 14.689 3.282 0.277 1.00 0.00 C ATOM 362 C GLY A 29 15.928 3.696 1.046 1.00 0.00 C ATOM 363 O GLY A 29 17.051 3.399 0.637 1.00 0.00 O ATOM 0 H GLY A 29 15.303 2.537 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.855 3.920 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.420 2.262 0.550 1.00 0.00 H new ATOM 367 N VAL A 30 15.725 4.387 2.163 1.00 0.00 N ATOM 368 CA VAL A 30 16.835 4.844 2.992 1.00 0.00 C ATOM 369 C VAL A 30 17.943 3.799 3.051 1.00 0.00 C ATOM 370 O VAL A 30 19.126 4.135 3.118 1.00 0.00 O ATOM 371 CB VAL A 30 16.371 5.165 4.424 1.00 0.00 C ATOM 372 CG1 VAL A 30 17.514 5.755 5.237 1.00 0.00 C ATOM 373 CG2 VAL A 30 15.180 6.113 4.399 1.00 0.00 C ATOM 0 H VAL A 30 14.802 4.643 2.515 1.00 0.00 H new ATOM 0 HA VAL A 30 17.221 5.753 2.531 1.00 0.00 H new ATOM 0 HB VAL A 30 16.058 4.237 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 30 17.167 5.975 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 30 18.335 5.039 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.861 6.674 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.865 6.329 5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.464 7.041 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.357 5.649 3.856 1.00 0.00 H new ATOM 383 N THR A 31 17.553 2.528 3.024 1.00 0.00 N ATOM 384 CA THR A 31 18.513 1.433 3.075 1.00 0.00 C ATOM 385 C THR A 31 18.430 0.570 1.822 1.00 0.00 C ATOM 386 O THR A 31 17.414 0.539 1.127 1.00 0.00 O ATOM 387 CB THR A 31 18.286 0.544 4.313 1.00 0.00 C ATOM 388 OG1 THR A 31 16.883 0.369 4.540 1.00 0.00 O ATOM 389 CG2 THR A 31 18.931 1.159 5.546 1.00 0.00 C ATOM 0 H THR A 31 16.579 2.232 2.967 1.00 0.00 H new ATOM 0 HA THR A 31 19.503 1.884 3.137 1.00 0.00 H new ATOM 0 HB THR A 31 18.747 -0.426 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.747 -0.198 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.758 0.514 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.003 1.264 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.495 2.140 5.734 1.00 0.00 H new ATOM 397 N PRO A 32 19.522 -0.149 1.524 1.00 0.00 N ATOM 398 CA PRO A 32 19.596 -1.028 0.353 1.00 0.00 C ATOM 399 C PRO A 32 18.705 -2.257 0.493 1.00 0.00 C ATOM 400 O PRO A 32 18.663 -3.110 -0.394 1.00 0.00 O ATOM 401 CB PRO A 32 21.070 -1.438 0.310 1.00 0.00 C ATOM 402 CG PRO A 32 21.541 -1.308 1.717 1.00 0.00 C ATOM 403 CD PRO A 32 20.769 -0.161 2.308 1.00 0.00 C ATOM 0 HA PRO A 32 19.251 -0.530 -0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.186 -2.459 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.641 -0.794 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.362 -2.227 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.613 -1.116 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.575 -0.312 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.312 0.780 2.214 1.00 0.00 H new ATOM 411 N ALA A 33 17.994 -2.342 1.612 1.00 0.00 N ATOM 412 CA ALA A 33 17.101 -3.467 1.867 1.00 0.00 C ATOM 413 C ALA A 33 15.641 -3.035 1.795 1.00 0.00 C ATOM 414 O ALA A 33 14.733 -3.843 1.996 1.00 0.00 O ATOM 415 CB ALA A 33 17.405 -4.085 3.224 1.00 0.00 C ATOM 0 H ALA A 33 18.018 -1.646 2.357 1.00 0.00 H new ATOM 0 HA ALA A 33 17.270 -4.216 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.731 -4.923 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.436 -4.438 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.266 -3.337 4.004 1.00 0.00 H new ATOM 421 N THR A 34 15.419 -1.756 1.508 1.00 0.00 N ATOM 422 CA THR A 34 14.069 -1.217 1.411 1.00 0.00 C ATOM 423 C THR A 34 13.960 -0.208 0.274 1.00 0.00 C ATOM 424 O THR A 34 14.969 0.220 -0.287 1.00 0.00 O ATOM 425 CB THR A 34 13.639 -0.539 2.726 1.00 0.00 C ATOM 426 OG1 THR A 34 14.439 0.625 2.961 1.00 0.00 O ATOM 427 CG2 THR A 34 13.774 -1.499 3.899 1.00 0.00 C ATOM 0 H THR A 34 16.158 -1.074 1.339 1.00 0.00 H new ATOM 0 HA THR A 34 13.406 -2.059 1.211 1.00 0.00 H new ATOM 0 HB THR A 34 12.593 -0.248 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.210 0.385 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.465 -0.998 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.142 -2.371 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.813 -1.817 3.991 1.00 0.00 H new ATOM 435 N ILE A 35 12.730 0.168 -0.062 1.00 0.00 N ATOM 436 CA ILE A 35 12.490 1.128 -1.132 1.00 0.00 C ATOM 437 C ILE A 35 11.485 2.191 -0.702 1.00 0.00 C ATOM 438 O ILE A 35 10.949 2.141 0.406 1.00 0.00 O ATOM 439 CB ILE A 35 11.973 0.434 -2.406 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.899 -0.597 -2.051 1.00 0.00 C ATOM 441 CG2 ILE A 35 13.122 -0.227 -3.153 1.00 0.00 C ATOM 442 CD1 ILE A 35 10.021 -0.981 -3.221 1.00 0.00 C ATOM 0 H ILE A 35 11.884 -0.178 0.392 1.00 0.00 H new ATOM 0 HA ILE A 35 13.447 1.603 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 35 11.528 1.187 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.382 -1.493 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.273 -0.198 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.740 -0.713 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.856 0.528 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.594 -0.970 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.283 -1.715 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.510 -0.095 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.636 -1.410 -4.012 1.00 0.00 H new ATOM 454 N ARG A 36 11.232 3.150 -1.585 1.00 0.00 N ATOM 455 CA ARG A 36 10.290 4.225 -1.298 1.00 0.00 C ATOM 456 C ARG A 36 9.173 4.262 -2.336 1.00 0.00 C ATOM 457 O ARG A 36 9.321 4.859 -3.402 1.00 0.00 O ATOM 458 CB ARG A 36 11.015 5.572 -1.265 1.00 0.00 C ATOM 459 CG ARG A 36 10.168 6.707 -0.712 1.00 0.00 C ATOM 460 CD ARG A 36 11.024 7.901 -0.321 1.00 0.00 C ATOM 461 NE ARG A 36 11.303 8.771 -1.461 1.00 0.00 N ATOM 462 CZ ARG A 36 12.261 9.690 -1.466 1.00 0.00 C ATOM 463 NH1 ARG A 36 13.029 9.858 -0.399 1.00 0.00 N ATOM 464 NH2 ARG A 36 12.454 10.443 -2.542 1.00 0.00 N ATOM 0 H ARG A 36 11.666 3.205 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 36 9.847 4.034 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.917 5.475 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.335 5.828 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.435 7.012 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.611 6.357 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.516 8.473 0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.964 7.549 0.105 1.00 0.00 H new ATOM 0 HE ARG A 36 10.731 8.667 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.885 9.280 0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.764 10.565 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.866 10.316 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.190 11.149 -2.545 1.00 0.00 H new ATOM 478 N VAL A 37 8.055 3.618 -2.017 1.00 0.00 N ATOM 479 CA VAL A 37 6.912 3.576 -2.922 1.00 0.00 C ATOM 480 C VAL A 37 6.092 4.858 -2.830 1.00 0.00 C ATOM 481 O VAL A 37 5.310 5.042 -1.897 1.00 0.00 O ATOM 482 CB VAL A 37 5.999 2.373 -2.619 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.918 2.242 -3.681 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.818 1.096 -2.519 1.00 0.00 C ATOM 0 H VAL A 37 7.916 3.118 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 37 7.311 3.474 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 37 5.512 2.541 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.283 1.387 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.313 3.149 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.382 2.096 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.157 0.256 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.334 0.920 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.550 1.195 -1.718 1.00 0.00 H new ATOM 494 N SER A 38 6.275 5.743 -3.805 1.00 0.00 N ATOM 495 CA SER A 38 5.555 7.010 -3.833 1.00 0.00 C ATOM 496 C SER A 38 4.260 6.882 -4.629 1.00 0.00 C ATOM 497 O SER A 38 4.102 5.964 -5.434 1.00 0.00 O ATOM 498 CB SER A 38 6.433 8.107 -4.439 1.00 0.00 C ATOM 499 OG SER A 38 6.151 9.367 -3.854 1.00 0.00 O ATOM 0 H SER A 38 6.916 5.605 -4.586 1.00 0.00 H new ATOM 0 HA SER A 38 5.305 7.280 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.484 7.860 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.267 8.157 -5.515 1.00 0.00 H new ATOM 0 HG SER A 38 5.315 9.312 -3.346 1.00 0.00 H new ATOM 505 N TRP A 39 3.336 7.808 -4.398 1.00 0.00 N ATOM 506 CA TRP A 39 2.054 7.799 -5.093 1.00 0.00 C ATOM 507 C TRP A 39 1.310 9.112 -4.880 1.00 0.00 C ATOM 508 O TRP A 39 1.813 10.021 -4.218 1.00 0.00 O ATOM 509 CB TRP A 39 1.197 6.628 -4.609 1.00 0.00 C ATOM 510 CG TRP A 39 0.889 6.684 -3.143 1.00 0.00 C ATOM 511 CD1 TRP A 39 0.028 7.541 -2.519 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.441 5.849 -2.120 1.00 0.00 C ATOM 513 NE1 TRP A 39 0.012 7.289 -1.168 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.869 6.256 -0.898 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.360 4.797 -2.116 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.190 5.646 0.313 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.677 4.194 -0.914 1.00 0.00 C ATOM 518 CH2 TRP A 39 2.093 4.619 0.287 1.00 0.00 C ATOM 0 H TRP A 39 3.451 8.574 -3.735 1.00 0.00 H new ATOM 0 HA TRP A 39 2.248 7.682 -6.159 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.262 6.615 -5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.713 5.694 -4.829 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.554 8.304 -3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.548 7.790 -0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.815 4.461 -3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.742 5.973 1.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.387 3.381 -0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.361 4.126 1.210 1.00 0.00 H new ATOM 529 N ARG A 40 0.111 9.207 -5.446 1.00 0.00 N ATOM 530 CA ARG A 40 -0.701 10.411 -5.318 1.00 0.00 C ATOM 531 C ARG A 40 -2.039 10.096 -4.655 1.00 0.00 C ATOM 532 O ARG A 40 -2.907 9.442 -5.232 1.00 0.00 O ATOM 533 CB ARG A 40 -0.936 11.041 -6.692 1.00 0.00 C ATOM 534 CG ARG A 40 0.304 11.688 -7.286 1.00 0.00 C ATOM 535 CD ARG A 40 0.624 13.009 -6.605 1.00 0.00 C ATOM 536 NE ARG A 40 -0.082 14.128 -7.222 1.00 0.00 N ATOM 537 CZ ARG A 40 0.269 14.668 -8.384 1.00 0.00 C ATOM 538 NH1 ARG A 40 1.313 14.194 -9.050 1.00 0.00 N ATOM 539 NH2 ARG A 40 -0.424 15.685 -8.881 1.00 0.00 N ATOM 0 H ARG A 40 -0.319 8.465 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.161 11.119 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.299 10.274 -7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.722 11.791 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.152 11.011 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.153 11.854 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.355 12.948 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.698 13.189 -6.650 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.889 14.517 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.848 13.413 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.581 14.610 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.227 16.053 -8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.154 16.099 -9.773 1.00 0.00 H new ATOM 553 N PRO A 41 -2.210 10.572 -3.413 1.00 0.00 N ATOM 554 CA PRO A 41 -3.440 10.355 -2.644 1.00 0.00 C ATOM 555 C PRO A 41 -4.623 11.132 -3.211 1.00 0.00 C ATOM 556 O PRO A 41 -4.556 12.342 -3.427 1.00 0.00 O ATOM 557 CB PRO A 41 -3.081 10.870 -1.248 1.00 0.00 C ATOM 558 CG PRO A 41 -1.995 11.864 -1.478 1.00 0.00 C ATOM 559 CD PRO A 41 -1.218 11.361 -2.663 1.00 0.00 C ATOM 0 HA PRO A 41 -3.752 9.311 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.942 11.330 -0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.745 10.059 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.407 12.854 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.355 11.953 -0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.822 12.182 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.368 10.751 -2.357 1.00 0.00 H new ATOM 567 N PRO A 42 -5.734 10.422 -3.458 1.00 0.00 N ATOM 568 CA PRO A 42 -6.954 11.026 -4.002 1.00 0.00 C ATOM 569 C PRO A 42 -7.645 11.942 -2.998 1.00 0.00 C ATOM 570 O PRO A 42 -7.734 11.625 -1.811 1.00 0.00 O ATOM 571 CB PRO A 42 -7.838 9.816 -4.317 1.00 0.00 C ATOM 572 CG PRO A 42 -7.362 8.748 -3.395 1.00 0.00 C ATOM 573 CD PRO A 42 -5.885 8.976 -3.224 1.00 0.00 C ATOM 0 HA PRO A 42 -6.746 11.657 -4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.891 10.042 -4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.737 9.513 -5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.879 8.801 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.559 7.759 -3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.547 8.693 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.303 8.391 -3.936 1.00 0.00 H new ATOM 581 N VAL A 43 -8.133 13.080 -3.481 1.00 0.00 N ATOM 582 CA VAL A 43 -8.818 14.043 -2.626 1.00 0.00 C ATOM 583 C VAL A 43 -9.751 13.341 -1.645 1.00 0.00 C ATOM 584 O VAL A 43 -10.410 12.359 -1.993 1.00 0.00 O ATOM 585 CB VAL A 43 -9.630 15.053 -3.457 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.374 16.018 -2.546 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.721 15.807 -4.416 1.00 0.00 C ATOM 0 H VAL A 43 -8.067 13.358 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.047 14.578 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.366 14.505 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.942 16.724 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.055 15.460 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.658 16.562 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.312 16.517 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.961 16.345 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.238 15.100 -5.091 1.00 0.00 H new ATOM 597 N LEU A 44 -9.803 13.849 -0.419 1.00 0.00 N ATOM 598 CA LEU A 44 -10.656 13.271 0.613 1.00 0.00 C ATOM 599 C LEU A 44 -11.716 14.271 1.066 1.00 0.00 C ATOM 600 O LEU A 44 -11.417 15.440 1.313 1.00 0.00 O ATOM 601 CB LEU A 44 -9.813 12.827 1.809 1.00 0.00 C ATOM 602 CG LEU A 44 -8.872 11.647 1.566 1.00 0.00 C ATOM 603 CD1 LEU A 44 -8.018 11.383 2.796 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.663 10.403 1.188 1.00 0.00 C ATOM 0 H LEU A 44 -9.264 14.660 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.160 12.402 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.218 13.677 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.486 12.567 2.626 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.211 11.900 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.355 10.540 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.424 12.268 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.663 11.152 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.977 9.573 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.348 10.148 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.231 10.596 0.278 1.00 0.00 H new ATOM 616 N THR A 45 -12.955 13.803 1.176 1.00 0.00 N ATOM 617 CA THR A 45 -14.059 14.655 1.600 1.00 0.00 C ATOM 618 C THR A 45 -13.612 15.641 2.673 1.00 0.00 C ATOM 619 O THR A 45 -12.623 15.425 3.375 1.00 0.00 O ATOM 620 CB THR A 45 -15.235 13.822 2.143 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.770 12.912 3.146 1.00 0.00 O ATOM 622 CG2 THR A 45 -15.911 13.046 1.022 1.00 0.00 C ATOM 0 H THR A 45 -13.219 12.838 0.977 1.00 0.00 H new ATOM 0 HA THR A 45 -14.389 15.206 0.719 1.00 0.00 H new ATOM 0 HB THR A 45 -15.962 14.505 2.582 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.493 12.073 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.738 12.465 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.290 13.743 0.274 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.189 12.374 0.558 1.00 0.00 H new ATOM 630 N PRO A 46 -14.355 16.749 2.807 1.00 0.00 N ATOM 631 CA PRO A 46 -14.055 17.789 3.795 1.00 0.00 C ATOM 632 C PRO A 46 -14.313 17.324 5.224 1.00 0.00 C ATOM 633 O PRO A 46 -14.330 18.128 6.157 1.00 0.00 O ATOM 634 CB PRO A 46 -15.013 18.922 3.419 1.00 0.00 C ATOM 635 CG PRO A 46 -16.146 18.247 2.727 1.00 0.00 C ATOM 636 CD PRO A 46 -15.548 17.071 2.006 1.00 0.00 C ATOM 0 HA PRO A 46 -13.004 18.077 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.354 19.462 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.529 19.650 2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.903 17.923 3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.637 18.925 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.242 16.231 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.286 17.321 0.978 1.00 0.00 H new ATOM 644 N THR A 47 -14.516 16.021 5.390 1.00 0.00 N ATOM 645 CA THR A 47 -14.775 15.449 6.706 1.00 0.00 C ATOM 646 C THR A 47 -13.819 14.300 7.003 1.00 0.00 C ATOM 647 O THR A 47 -13.707 13.852 8.143 1.00 0.00 O ATOM 648 CB THR A 47 -16.224 14.940 6.822 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.536 14.094 5.710 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.203 16.103 6.871 1.00 0.00 C ATOM 0 H THR A 47 -14.506 15.341 4.629 1.00 0.00 H new ATOM 0 HA THR A 47 -14.619 16.245 7.434 1.00 0.00 H new ATOM 0 HB THR A 47 -16.313 14.371 7.747 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.458 13.773 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.220 15.719 6.953 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.981 16.729 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.111 16.695 5.960 1.00 0.00 H new ATOM 658 N GLY A 48 -13.130 13.826 5.969 1.00 0.00 N ATOM 659 CA GLY A 48 -12.192 12.732 6.141 1.00 0.00 C ATOM 660 C GLY A 48 -12.783 11.394 5.746 1.00 0.00 C ATOM 661 O GLY A 48 -12.939 10.504 6.583 1.00 0.00 O ATOM 0 H GLY A 48 -13.205 14.180 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.302 12.923 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.873 12.691 7.182 1.00 0.00 H new ATOM 665 N LEU A 49 -13.114 11.250 4.467 1.00 0.00 N ATOM 666 CA LEU A 49 -13.693 10.010 3.962 1.00 0.00 C ATOM 667 C LEU A 49 -13.470 9.877 2.459 1.00 0.00 C ATOM 668 O LEU A 49 -13.802 10.779 1.690 1.00 0.00 O ATOM 669 CB LEU A 49 -15.190 9.959 4.273 1.00 0.00 C ATOM 670 CG LEU A 49 -15.573 10.069 5.749 1.00 0.00 C ATOM 671 CD1 LEU A 49 -17.073 10.274 5.897 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.124 8.831 6.510 1.00 0.00 C ATOM 0 H LEU A 49 -12.991 11.976 3.761 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.196 9.177 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.681 10.766 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.590 9.023 3.883 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.065 10.935 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.327 10.350 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.367 11.191 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.601 9.428 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.405 8.927 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.603 7.949 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.042 8.729 6.432 1.00 0.00 H new ATOM 684 N SER A 50 -12.906 8.746 2.047 1.00 0.00 N ATOM 685 CA SER A 50 -12.637 8.495 0.636 1.00 0.00 C ATOM 686 C SER A 50 -13.700 7.582 0.034 1.00 0.00 C ATOM 687 O SER A 50 -13.657 6.364 0.207 1.00 0.00 O ATOM 688 CB SER A 50 -11.252 7.869 0.463 1.00 0.00 C ATOM 689 OG SER A 50 -10.677 8.236 -0.779 1.00 0.00 O ATOM 0 H SER A 50 -12.626 7.989 2.671 1.00 0.00 H new ATOM 0 HA SER A 50 -12.664 9.450 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.601 8.188 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.330 6.784 0.524 1.00 0.00 H new ATOM 0 HG SER A 50 -9.792 7.824 -0.864 1.00 0.00 H new ATOM 695 N ASN A 51 -14.653 8.179 -0.674 1.00 0.00 N ATOM 696 CA ASN A 51 -15.728 7.421 -1.302 1.00 0.00 C ATOM 697 C ASN A 51 -16.707 6.897 -0.256 1.00 0.00 C ATOM 698 O ASN A 51 -17.391 5.898 -0.475 1.00 0.00 O ATOM 699 CB ASN A 51 -15.154 6.254 -2.108 1.00 0.00 C ATOM 700 CG ASN A 51 -16.167 5.660 -3.068 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.275 6.176 -3.215 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.790 4.569 -3.724 1.00 0.00 N ATOM 0 H ASN A 51 -14.702 9.186 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.265 8.090 -1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.284 6.596 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.808 5.479 -1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.429 4.123 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.861 4.177 -3.570 1.00 0.00 H new ATOM 709 N GLY A 52 -16.769 7.579 0.884 1.00 0.00 N ATOM 710 CA GLY A 52 -17.667 7.168 1.947 1.00 0.00 C ATOM 711 C GLY A 52 -16.985 6.286 2.973 1.00 0.00 C ATOM 712 O GLY A 52 -17.562 5.975 4.015 1.00 0.00 O ATOM 0 H GLY A 52 -16.213 8.409 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.068 8.052 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.513 6.632 1.517 1.00 0.00 H new ATOM 716 N ALA A 53 -15.755 5.879 2.678 1.00 0.00 N ATOM 717 CA ALA A 53 -14.994 5.027 3.583 1.00 0.00 C ATOM 718 C ALA A 53 -14.047 5.853 4.448 1.00 0.00 C ATOM 719 O ALA A 53 -13.644 6.951 4.069 1.00 0.00 O ATOM 720 CB ALA A 53 -14.217 3.982 2.796 1.00 0.00 C ATOM 0 H ALA A 53 -15.264 6.126 1.819 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.698 4.520 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.653 3.353 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.912 3.365 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.529 4.479 2.112 1.00 0.00 H new ATOM 726 N ASN A 54 -13.697 5.316 5.613 1.00 0.00 N ATOM 727 CA ASN A 54 -12.799 6.004 6.532 1.00 0.00 C ATOM 728 C ASN A 54 -11.356 5.558 6.318 1.00 0.00 C ATOM 729 O ASN A 54 -10.872 4.642 6.984 1.00 0.00 O ATOM 730 CB ASN A 54 -13.217 5.740 7.980 1.00 0.00 C ATOM 731 CG ASN A 54 -14.721 5.785 8.165 1.00 0.00 C ATOM 732 OD1 ASN A 54 -15.476 5.277 7.335 1.00 0.00 O ATOM 733 ND2 ASN A 54 -15.165 6.396 9.257 1.00 0.00 N ATOM 0 H ASN A 54 -14.022 4.407 5.942 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.864 7.073 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.845 4.764 8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.751 6.480 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.167 6.458 9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.504 6.803 9.918 1.00 0.00 H new ATOM 740 N VAL A 55 -10.672 6.213 5.385 1.00 0.00 N ATOM 741 CA VAL A 55 -9.283 5.886 5.084 1.00 0.00 C ATOM 742 C VAL A 55 -8.366 6.262 6.243 1.00 0.00 C ATOM 743 O VAL A 55 -8.222 7.438 6.578 1.00 0.00 O ATOM 744 CB VAL A 55 -8.802 6.603 3.809 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.390 6.163 3.449 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.760 6.341 2.657 1.00 0.00 C ATOM 0 H VAL A 55 -11.057 6.973 4.825 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.238 4.809 4.925 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.785 7.676 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.067 6.680 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.713 6.406 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.377 5.087 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.405 6.855 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.811 5.270 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.752 6.710 2.918 1.00 0.00 H new ATOM 756 N THR A 56 -7.747 5.255 6.851 1.00 0.00 N ATOM 757 CA THR A 56 -6.845 5.480 7.973 1.00 0.00 C ATOM 758 C THR A 56 -5.391 5.293 7.555 1.00 0.00 C ATOM 759 O THR A 56 -4.480 5.398 8.375 1.00 0.00 O ATOM 760 CB THR A 56 -7.156 4.528 9.144 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.926 3.172 8.748 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.597 4.690 9.604 1.00 0.00 C ATOM 0 H THR A 56 -7.854 4.276 6.585 1.00 0.00 H new ATOM 0 HA THR A 56 -6.998 6.509 8.300 1.00 0.00 H new ATOM 0 HB THR A 56 -6.495 4.780 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.124 2.574 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.794 4.008 10.431 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.761 5.716 9.933 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.270 4.462 8.778 1.00 0.00 H new ATOM 770 N GLY A 57 -5.180 5.015 6.271 1.00 0.00 N ATOM 771 CA GLY A 57 -3.834 4.819 5.767 1.00 0.00 C ATOM 772 C GLY A 57 -3.803 3.968 4.512 1.00 0.00 C ATOM 773 O GLY A 57 -4.846 3.676 3.926 1.00 0.00 O ATOM 0 H GLY A 57 -5.917 4.922 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.384 5.789 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.226 4.346 6.538 1.00 0.00 H new ATOM 777 N TYR A 58 -2.605 3.570 4.098 1.00 0.00 N ATOM 778 CA TYR A 58 -2.443 2.751 2.903 1.00 0.00 C ATOM 779 C TYR A 58 -1.766 1.426 3.239 1.00 0.00 C ATOM 780 O TYR A 58 -1.320 1.210 4.365 1.00 0.00 O ATOM 781 CB TYR A 58 -1.625 3.502 1.852 1.00 0.00 C ATOM 782 CG TYR A 58 -2.309 4.744 1.326 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.186 4.674 0.250 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.079 5.986 1.903 1.00 0.00 C ATOM 785 CE1 TYR A 58 -3.813 5.806 -0.235 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.702 7.123 1.426 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.569 7.027 0.357 1.00 0.00 C ATOM 788 OH TYR A 58 -4.191 8.157 -0.122 1.00 0.00 O ATOM 0 H TYR A 58 -1.732 3.801 4.572 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.434 2.540 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.664 3.782 2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.417 2.831 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.381 3.719 -0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.401 6.064 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.490 5.735 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.512 8.081 1.887 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.362 8.775 0.619 1.00 0.00 H new ATOM 798 N GLY A 59 -1.692 0.539 2.250 1.00 0.00 N ATOM 799 CA GLY A 59 -1.068 -0.754 2.459 1.00 0.00 C ATOM 800 C GLY A 59 -0.445 -1.308 1.193 1.00 0.00 C ATOM 801 O GLY A 59 -1.086 -1.349 0.143 1.00 0.00 O ATOM 0 H GLY A 59 -2.053 0.694 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.301 -0.664 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.813 -1.457 2.832 1.00 0.00 H new ATOM 805 N VAL A 60 0.811 -1.735 1.290 1.00 0.00 N ATOM 806 CA VAL A 60 1.521 -2.288 0.144 1.00 0.00 C ATOM 807 C VAL A 60 1.399 -3.808 0.103 1.00 0.00 C ATOM 808 O VAL A 60 1.427 -4.471 1.140 1.00 0.00 O ATOM 809 CB VAL A 60 3.013 -1.904 0.169 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.712 -2.398 -1.088 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.172 -0.399 0.322 1.00 0.00 C ATOM 0 H VAL A 60 1.357 -1.708 2.151 1.00 0.00 H new ATOM 0 HA VAL A 60 1.060 -1.865 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 60 3.481 -2.385 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.765 -2.118 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.627 -3.483 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.246 -1.948 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.232 -0.145 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.691 0.105 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.708 -0.077 1.254 1.00 0.00 H new ATOM 821 N TYR A 61 1.265 -4.353 -1.100 1.00 0.00 N ATOM 822 CA TYR A 61 1.137 -5.794 -1.277 1.00 0.00 C ATOM 823 C TYR A 61 2.055 -6.291 -2.389 1.00 0.00 C ATOM 824 O TYR A 61 2.260 -5.607 -3.392 1.00 0.00 O ATOM 825 CB TYR A 61 -0.313 -6.164 -1.594 1.00 0.00 C ATOM 826 CG TYR A 61 -1.267 -5.909 -0.449 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.684 -4.620 -0.140 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.753 -6.958 0.323 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.555 -4.383 0.906 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.626 -6.730 1.369 1.00 0.00 C ATOM 831 CZ TYR A 61 -3.023 -5.441 1.657 1.00 0.00 C ATOM 832 OH TYR A 61 -3.892 -5.209 2.698 1.00 0.00 O ATOM 0 H TYR A 61 1.242 -3.818 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 61 1.432 -6.276 -0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.642 -5.596 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.359 -7.218 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.321 -3.789 -0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.443 -7.968 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.868 -3.375 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.996 -7.556 1.958 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.127 -6.060 3.124 1.00 0.00 H new ATOM 842 N ALA A 62 2.605 -7.486 -2.204 1.00 0.00 N ATOM 843 CA ALA A 62 3.500 -8.077 -3.192 1.00 0.00 C ATOM 844 C ALA A 62 3.136 -9.533 -3.460 1.00 0.00 C ATOM 845 O ALA A 62 3.413 -10.414 -2.646 1.00 0.00 O ATOM 846 CB ALA A 62 4.944 -7.969 -2.727 1.00 0.00 C ATOM 0 H ALA A 62 2.447 -8.064 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 62 3.388 -7.524 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.601 -8.414 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.206 -6.919 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.062 -8.496 -1.780 1.00 0.00 H new ATOM 852 N LYS A 63 2.512 -9.781 -4.608 1.00 0.00 N ATOM 853 CA LYS A 63 2.110 -11.130 -4.985 1.00 0.00 C ATOM 854 C LYS A 63 0.970 -11.626 -4.100 1.00 0.00 C ATOM 855 O LYS A 63 0.819 -12.827 -3.881 1.00 0.00 O ATOM 856 CB LYS A 63 3.301 -12.087 -4.884 1.00 0.00 C ATOM 857 CG LYS A 63 4.558 -11.567 -5.560 1.00 0.00 C ATOM 858 CD LYS A 63 4.623 -11.992 -7.017 1.00 0.00 C ATOM 859 CE LYS A 63 3.957 -10.972 -7.927 1.00 0.00 C ATOM 860 NZ LYS A 63 3.992 -11.394 -9.354 1.00 0.00 N ATOM 0 H LYS A 63 2.274 -9.064 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 63 1.760 -11.102 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.516 -12.276 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.027 -13.043 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.583 -10.479 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.436 -11.938 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.664 -12.120 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.136 -12.960 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.922 -10.829 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.457 -10.009 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.528 -10.672 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.980 -11.506 -9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.492 -12.300 -9.460 1.00 0.00 H new ATOM 874 N GLY A 64 0.170 -10.692 -3.596 1.00 0.00 N ATOM 875 CA GLY A 64 -0.947 -11.054 -2.742 1.00 0.00 C ATOM 876 C GLY A 64 -0.550 -11.163 -1.284 1.00 0.00 C ATOM 877 O GLY A 64 -1.230 -11.822 -0.497 1.00 0.00 O ATOM 0 H GLY A 64 0.275 -9.691 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.736 -10.309 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.361 -12.006 -3.075 1.00 0.00 H new ATOM 881 N GLN A 65 0.554 -10.518 -0.923 1.00 0.00 N ATOM 882 CA GLN A 65 1.041 -10.548 0.452 1.00 0.00 C ATOM 883 C GLN A 65 1.485 -9.160 0.902 1.00 0.00 C ATOM 884 O GLN A 65 2.401 -8.573 0.326 1.00 0.00 O ATOM 885 CB GLN A 65 2.203 -11.535 0.582 1.00 0.00 C ATOM 886 CG GLN A 65 1.805 -12.979 0.323 1.00 0.00 C ATOM 887 CD GLN A 65 1.911 -13.360 -1.141 1.00 0.00 C ATOM 888 OE1 GLN A 65 2.322 -12.554 -1.976 1.00 0.00 O ATOM 889 NE2 GLN A 65 1.539 -14.595 -1.460 1.00 0.00 N ATOM 0 H GLN A 65 1.128 -9.969 -1.562 1.00 0.00 H new ATOM 0 HA GLN A 65 0.223 -10.874 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.989 -11.252 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.625 -11.457 1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.441 -13.639 0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.781 -13.136 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.204 -15.230 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.588 -14.908 -2.430 1.00 0.00 H new ATOM 898 N ARG A 66 0.830 -8.642 1.936 1.00 0.00 N ATOM 899 CA ARG A 66 1.156 -7.322 2.463 1.00 0.00 C ATOM 900 C ARG A 66 2.615 -7.260 2.908 1.00 0.00 C ATOM 901 O ARG A 66 3.079 -8.109 3.669 1.00 0.00 O ATOM 902 CB ARG A 66 0.238 -6.977 3.637 1.00 0.00 C ATOM 903 CG ARG A 66 0.099 -5.483 3.882 1.00 0.00 C ATOM 904 CD ARG A 66 -0.168 -5.183 5.349 1.00 0.00 C ATOM 905 NE ARG A 66 -1.560 -5.432 5.714 1.00 0.00 N ATOM 906 CZ ARG A 66 -1.971 -5.612 6.964 1.00 0.00 C ATOM 907 NH1 ARG A 66 -1.101 -5.571 7.964 1.00 0.00 N ATOM 908 NH2 ARG A 66 -3.254 -5.835 7.217 1.00 0.00 N ATOM 0 H ARG A 66 0.071 -9.116 2.425 1.00 0.00 H new ATOM 0 HA ARG A 66 1.005 -6.593 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.749 -7.400 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.623 -7.451 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.010 -4.975 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.715 -5.087 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.485 -5.797 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.081 -4.142 5.557 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.255 -5.470 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.113 -5.401 7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.419 -5.710 8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.927 -5.868 6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.568 -5.973 8.178 1.00 0.00 H new ATOM 922 N VAL A 67 3.332 -6.249 2.428 1.00 0.00 N ATOM 923 CA VAL A 67 4.737 -6.075 2.777 1.00 0.00 C ATOM 924 C VAL A 67 4.943 -4.823 3.622 1.00 0.00 C ATOM 925 O VAL A 67 5.869 -4.751 4.430 1.00 0.00 O ATOM 926 CB VAL A 67 5.620 -5.982 1.519 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.777 -7.351 0.875 1.00 0.00 C ATOM 928 CG2 VAL A 67 5.037 -4.983 0.532 1.00 0.00 C ATOM 0 H VAL A 67 2.963 -5.538 1.796 1.00 0.00 H new ATOM 0 HA VAL A 67 5.030 -6.952 3.354 1.00 0.00 H new ATOM 0 HB VAL A 67 6.608 -5.631 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.404 -7.266 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.243 -8.035 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.797 -7.734 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.674 -4.930 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.037 -5.302 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.982 -4.000 0.999 1.00 0.00 H new ATOM 938 N ALA A 68 4.072 -3.837 3.431 1.00 0.00 N ATOM 939 CA ALA A 68 4.156 -2.588 4.178 1.00 0.00 C ATOM 940 C ALA A 68 2.769 -2.011 4.442 1.00 0.00 C ATOM 941 O ALA A 68 1.779 -2.471 3.875 1.00 0.00 O ATOM 942 CB ALA A 68 5.014 -1.581 3.427 1.00 0.00 C ATOM 0 H ALA A 68 3.300 -3.879 2.765 1.00 0.00 H new ATOM 0 HA ALA A 68 4.622 -2.800 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.068 -0.653 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.018 -1.985 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.572 -1.383 2.451 1.00 0.00 H new ATOM 948 N GLU A 69 2.707 -1.003 5.306 1.00 0.00 N ATOM 949 CA GLU A 69 1.440 -0.366 5.645 1.00 0.00 C ATOM 950 C GLU A 69 1.673 0.960 6.364 1.00 0.00 C ATOM 951 O GLU A 69 2.340 1.010 7.397 1.00 0.00 O ATOM 952 CB GLU A 69 0.596 -1.293 6.523 1.00 0.00 C ATOM 953 CG GLU A 69 1.095 -1.395 7.954 1.00 0.00 C ATOM 954 CD GLU A 69 0.620 -2.657 8.648 1.00 0.00 C ATOM 955 OE1 GLU A 69 0.811 -3.754 8.082 1.00 0.00 O ATOM 956 OE2 GLU A 69 0.057 -2.547 9.758 1.00 0.00 O ATOM 0 H GLU A 69 3.518 -0.610 5.783 1.00 0.00 H new ATOM 0 HA GLU A 69 0.903 -0.168 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.433 -0.935 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.584 -2.289 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.185 -1.371 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.755 -0.525 8.516 1.00 0.00 H new ATOM 963 N VAL A 70 1.119 2.033 5.808 1.00 0.00 N ATOM 964 CA VAL A 70 1.266 3.360 6.395 1.00 0.00 C ATOM 965 C VAL A 70 -0.059 3.859 6.962 1.00 0.00 C ATOM 966 O VAL A 70 -1.052 3.967 6.242 1.00 0.00 O ATOM 967 CB VAL A 70 1.785 4.377 5.361 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.979 4.289 4.074 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.742 5.786 5.933 1.00 0.00 C ATOM 0 H VAL A 70 0.565 2.009 4.952 1.00 0.00 H new ATOM 0 HA VAL A 70 1.993 3.271 7.202 1.00 0.00 H new ATOM 0 HB VAL A 70 2.822 4.136 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.360 5.015 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.067 3.286 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.069 4.504 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.112 6.492 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.715 6.041 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.368 5.836 6.824 1.00 0.00 H new ATOM 979 N ILE A 71 -0.066 4.163 8.255 1.00 0.00 N ATOM 980 CA ILE A 71 -1.268 4.653 8.918 1.00 0.00 C ATOM 981 C ILE A 71 -1.506 6.126 8.605 1.00 0.00 C ATOM 982 O ILE A 71 -1.811 6.920 9.496 1.00 0.00 O ATOM 983 CB ILE A 71 -1.183 4.471 10.445 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.778 3.036 10.787 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.513 4.821 11.095 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.693 1.990 10.189 1.00 0.00 C ATOM 0 H ILE A 71 0.747 4.079 8.865 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.102 4.063 8.536 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.422 5.146 10.835 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.239 2.861 10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.766 2.919 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.437 4.687 12.174 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.764 5.859 10.875 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.293 4.168 10.703 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.345 0.997 10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.707 2.139 10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.687 2.080 9.103 1.00 0.00 H new ATOM 998 N PHE A 72 -1.367 6.486 7.334 1.00 0.00 N ATOM 999 CA PHE A 72 -1.568 7.864 6.902 1.00 0.00 C ATOM 1000 C PHE A 72 -2.396 7.919 5.622 1.00 0.00 C ATOM 1001 O PHE A 72 -1.957 7.501 4.550 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.220 8.553 6.681 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.284 10.049 6.800 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.963 10.645 7.851 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.334 10.859 5.861 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -1.024 12.021 7.962 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.276 12.236 5.967 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.403 12.818 7.020 1.00 0.00 C ATOM 0 H PHE A 72 -1.116 5.842 6.584 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.112 8.388 7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.498 8.169 7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.155 8.291 5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.450 10.027 8.591 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.867 10.409 5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.557 12.473 8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.761 12.856 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.448 13.894 7.107 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.625 8.445 5.735 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.541 8.566 4.597 1.00 0.00 C ATOM 1020 C PRO A 73 -4.079 9.613 3.590 1.00 0.00 C ATOM 1021 O PRO A 73 -4.454 9.571 2.417 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.859 8.996 5.248 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.455 9.670 6.513 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.214 8.962 6.982 1.00 0.00 C ATOM 0 HA PRO A 73 -4.612 7.638 4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.418 9.672 4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.502 8.138 5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.260 10.729 6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.247 9.606 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.534 9.641 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.449 8.158 7.679 1.00 0.00 H new ATOM 1032 N THR A 74 -3.261 10.554 4.053 1.00 0.00 N ATOM 1033 CA THR A 74 -2.748 11.612 3.192 1.00 0.00 C ATOM 1034 C THR A 74 -1.284 11.374 2.842 1.00 0.00 C ATOM 1035 O THR A 74 -0.556 12.308 2.506 1.00 0.00 O ATOM 1036 CB THR A 74 -2.886 12.994 3.859 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.233 12.991 5.133 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.351 13.366 4.034 1.00 0.00 C ATOM 0 H THR A 74 -2.940 10.604 5.020 1.00 0.00 H new ATOM 0 HA THR A 74 -3.344 11.595 2.280 1.00 0.00 H new ATOM 0 HB THR A 74 -2.414 13.734 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.287 12.764 5.015 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.424 14.345 4.507 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.838 13.397 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.843 12.623 4.662 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.858 10.117 2.921 1.00 0.00 N ATOM 1047 CA ALA A 75 0.519 9.756 2.609 1.00 0.00 C ATOM 1048 C ALA A 75 0.762 9.768 1.103 1.00 0.00 C ATOM 1049 O ALA A 75 -0.126 9.434 0.319 1.00 0.00 O ATOM 1050 CB ALA A 75 0.851 8.389 3.188 1.00 0.00 C ATOM 0 H ALA A 75 -1.447 9.332 3.198 1.00 0.00 H new ATOM 0 HA ALA A 75 1.175 10.499 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.883 8.133 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.726 8.412 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.182 7.641 2.762 1.00 0.00 H new ATOM 1056 N ASP A 76 1.969 10.156 0.707 1.00 0.00 N ATOM 1057 CA ASP A 76 2.329 10.211 -0.705 1.00 0.00 C ATOM 1058 C ASP A 76 3.512 9.293 -1.001 1.00 0.00 C ATOM 1059 O ASP A 76 3.968 9.200 -2.141 1.00 0.00 O ATOM 1060 CB ASP A 76 2.667 11.646 -1.112 1.00 0.00 C ATOM 1061 CG ASP A 76 4.055 12.063 -0.667 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.341 11.970 0.545 1.00 0.00 O ATOM 1063 OD2 ASP A 76 4.854 12.482 -1.530 1.00 0.00 O ATOM 0 H ASP A 76 2.715 10.437 1.344 1.00 0.00 H new ATOM 0 HA ASP A 76 1.473 9.869 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.592 11.740 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.931 12.325 -0.682 1.00 0.00 H new ATOM 1068 N SER A 77 4.004 8.619 0.033 1.00 0.00 N ATOM 1069 CA SER A 77 5.137 7.713 -0.115 1.00 0.00 C ATOM 1070 C SER A 77 5.385 6.938 1.176 1.00 0.00 C ATOM 1071 O SER A 77 5.246 7.476 2.274 1.00 0.00 O ATOM 1072 CB SER A 77 6.394 8.493 -0.504 1.00 0.00 C ATOM 1073 OG SER A 77 6.606 9.587 0.371 1.00 0.00 O ATOM 0 H SER A 77 3.636 8.683 0.982 1.00 0.00 H new ATOM 0 HA SER A 77 4.900 7.002 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.259 7.830 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.299 8.855 -1.528 1.00 0.00 H new ATOM 0 HG SER A 77 7.416 10.069 0.102 1.00 0.00 H new ATOM 1079 N THR A 78 5.752 5.668 1.035 1.00 0.00 N ATOM 1080 CA THR A 78 6.018 4.817 2.188 1.00 0.00 C ATOM 1081 C THR A 78 7.212 3.903 1.933 1.00 0.00 C ATOM 1082 O THR A 78 7.633 3.720 0.791 1.00 0.00 O ATOM 1083 CB THR A 78 4.793 3.954 2.544 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.867 3.540 3.913 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.711 2.732 1.642 1.00 0.00 C ATOM 0 H THR A 78 5.872 5.206 0.133 1.00 0.00 H new ATOM 0 HA THR A 78 6.242 5.479 3.024 1.00 0.00 H new ATOM 0 HB THR A 78 3.896 4.556 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.289 2.761 4.051 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.838 2.138 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.625 3.051 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.611 2.130 1.763 1.00 0.00 H new ATOM 1093 N ALA A 79 7.753 3.331 3.004 1.00 0.00 N ATOM 1094 CA ALA A 79 8.896 2.434 2.895 1.00 0.00 C ATOM 1095 C ALA A 79 8.449 0.977 2.852 1.00 0.00 C ATOM 1096 O ALA A 79 7.463 0.601 3.486 1.00 0.00 O ATOM 1097 CB ALA A 79 9.856 2.660 4.054 1.00 0.00 C ATOM 0 H ALA A 79 7.418 3.473 3.957 1.00 0.00 H new ATOM 0 HA ALA A 79 9.412 2.655 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.705 1.983 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.210 3.691 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.341 2.468 4.995 1.00 0.00 H new ATOM 1103 N VAL A 80 9.180 0.161 2.099 1.00 0.00 N ATOM 1104 CA VAL A 80 8.859 -1.256 1.974 1.00 0.00 C ATOM 1105 C VAL A 80 10.123 -2.108 1.971 1.00 0.00 C ATOM 1106 O VAL A 80 11.147 -1.715 1.414 1.00 0.00 O ATOM 1107 CB VAL A 80 8.060 -1.538 0.687 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.815 -3.031 0.527 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.746 -0.771 0.697 1.00 0.00 C ATOM 0 H VAL A 80 9.998 0.457 1.567 1.00 0.00 H new ATOM 0 HA VAL A 80 8.249 -1.520 2.838 1.00 0.00 H new ATOM 0 HB VAL A 80 8.646 -1.197 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.249 -3.211 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.770 -3.553 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.249 -3.401 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.195 -0.982 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.152 -1.079 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.949 0.298 0.760 1.00 0.00 H new ATOM 1119 N GLU A 81 10.042 -3.278 2.598 1.00 0.00 N ATOM 1120 CA GLU A 81 11.181 -4.186 2.668 1.00 0.00 C ATOM 1121 C GLU A 81 11.335 -4.966 1.366 1.00 0.00 C ATOM 1122 O GLU A 81 10.408 -5.645 0.922 1.00 0.00 O ATOM 1123 CB GLU A 81 11.017 -5.155 3.840 1.00 0.00 C ATOM 1124 CG GLU A 81 11.597 -4.636 5.145 1.00 0.00 C ATOM 1125 CD GLU A 81 10.979 -5.297 6.362 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.860 -4.897 6.749 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.612 -6.212 6.927 1.00 0.00 O ATOM 0 H GLU A 81 9.201 -3.619 3.064 1.00 0.00 H new ATOM 0 HA GLU A 81 12.080 -3.590 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.957 -5.365 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.498 -6.100 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.674 -4.805 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.443 -3.559 5.204 1.00 0.00 H new ATOM 1134 N LEU A 82 12.512 -4.865 0.758 1.00 0.00 N ATOM 1135 CA LEU A 82 12.790 -5.561 -0.493 1.00 0.00 C ATOM 1136 C LEU A 82 12.844 -7.070 -0.278 1.00 0.00 C ATOM 1137 O LEU A 82 12.464 -7.847 -1.153 1.00 0.00 O ATOM 1138 CB LEU A 82 14.111 -5.071 -1.090 1.00 0.00 C ATOM 1139 CG LEU A 82 14.122 -3.632 -1.606 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.523 -3.232 -2.041 1.00 0.00 C ATOM 1141 CD2 LEU A 82 13.138 -3.470 -2.755 1.00 0.00 C ATOM 0 H LEU A 82 13.289 -4.307 1.112 1.00 0.00 H new ATOM 0 HA LEU A 82 11.980 -5.342 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.888 -5.170 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.382 -5.733 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 82 13.814 -2.973 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.511 -2.205 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.203 -3.309 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.860 -3.896 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.159 -2.440 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.416 -4.140 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.133 -3.715 -2.411 1.00 0.00 H new ATOM 1153 N VAL A 83 13.317 -7.478 0.896 1.00 0.00 N ATOM 1154 CA VAL A 83 13.418 -8.894 1.229 1.00 0.00 C ATOM 1155 C VAL A 83 12.082 -9.601 1.030 1.00 0.00 C ATOM 1156 O VAL A 83 12.034 -10.734 0.550 1.00 0.00 O ATOM 1157 CB VAL A 83 13.883 -9.097 2.683 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.712 -8.948 3.643 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.547 -10.456 2.845 1.00 0.00 C ATOM 0 H VAL A 83 13.636 -6.848 1.632 1.00 0.00 H new ATOM 0 HA VAL A 83 14.158 -9.326 0.556 1.00 0.00 H new ATOM 0 HB VAL A 83 14.618 -8.329 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.059 -9.095 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.285 -7.950 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.952 -9.693 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.869 -10.583 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.836 -11.241 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.412 -10.519 2.185 1.00 0.00 H new ATOM 1169 N ARG A 84 11.000 -8.926 1.401 1.00 0.00 N ATOM 1170 CA ARG A 84 9.663 -9.490 1.264 1.00 0.00 C ATOM 1171 C ARG A 84 9.340 -9.774 -0.200 1.00 0.00 C ATOM 1172 O ARG A 84 8.468 -10.589 -0.508 1.00 0.00 O ATOM 1173 CB ARG A 84 8.621 -8.536 1.852 1.00 0.00 C ATOM 1174 CG ARG A 84 8.509 -8.614 3.365 1.00 0.00 C ATOM 1175 CD ARG A 84 7.741 -7.429 3.929 1.00 0.00 C ATOM 1176 NE ARG A 84 7.023 -7.773 5.153 1.00 0.00 N ATOM 1177 CZ ARG A 84 7.617 -7.946 6.329 1.00 0.00 C ATOM 1178 NH1 ARG A 84 8.930 -7.807 6.439 1.00 0.00 N ATOM 1179 NH2 ARG A 84 6.895 -8.259 7.398 1.00 0.00 N ATOM 0 H ARG A 84 11.023 -7.987 1.799 1.00 0.00 H new ATOM 0 HA ARG A 84 9.635 -10.431 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.874 -7.515 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.649 -8.758 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.009 -9.540 3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.506 -8.645 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.434 -6.612 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.033 -7.068 3.183 1.00 0.00 H new ATOM 0 HE ARG A 84 6.011 -7.887 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.488 -7.567 5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.383 -7.940 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.884 -8.367 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.351 -8.392 8.301 1.00 0.00 H new ATOM 1193 N LEU A 85 10.047 -9.098 -1.098 1.00 0.00 N ATOM 1194 CA LEU A 85 9.835 -9.277 -2.530 1.00 0.00 C ATOM 1195 C LEU A 85 10.683 -10.426 -3.066 1.00 0.00 C ATOM 1196 O LEU A 85 10.351 -11.033 -4.085 1.00 0.00 O ATOM 1197 CB LEU A 85 10.172 -7.987 -3.281 1.00 0.00 C ATOM 1198 CG LEU A 85 9.706 -6.687 -2.623 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.459 -5.498 -3.199 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.206 -6.507 -2.799 1.00 0.00 C ATOM 0 H LEU A 85 10.772 -8.421 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 85 8.784 -9.519 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.253 -7.938 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.733 -8.045 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 85 9.921 -6.745 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.114 -4.582 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.527 -5.622 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.276 -5.437 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.893 -5.577 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.966 -6.471 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.682 -7.344 -2.337 1.00 0.00 H new ATOM 1212 N ARG A 86 11.778 -10.720 -2.373 1.00 0.00 N ATOM 1213 CA ARG A 86 12.673 -11.797 -2.779 1.00 0.00 C ATOM 1214 C ARG A 86 12.017 -13.158 -2.564 1.00 0.00 C ATOM 1215 O ARG A 86 11.985 -13.992 -3.469 1.00 0.00 O ATOM 1216 CB ARG A 86 13.984 -11.722 -1.995 1.00 0.00 C ATOM 1217 CG ARG A 86 14.576 -10.323 -1.931 1.00 0.00 C ATOM 1218 CD ARG A 86 14.918 -9.799 -3.317 1.00 0.00 C ATOM 1219 NE ARG A 86 16.101 -10.451 -3.872 1.00 0.00 N ATOM 1220 CZ ARG A 86 16.408 -10.439 -5.164 1.00 0.00 C ATOM 1221 NH1 ARG A 86 15.625 -9.811 -6.030 1.00 0.00 N ATOM 1222 NH2 ARG A 86 17.502 -11.056 -5.593 1.00 0.00 N ATOM 0 H ARG A 86 12.067 -10.228 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 86 12.886 -11.678 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.812 -12.081 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.710 -12.394 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.867 -9.648 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.474 -10.335 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.070 -9.957 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.087 -8.723 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 86 16.725 -10.942 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.784 -9.335 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.864 -9.804 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.108 -11.540 -4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.737 -11.046 -6.586 1.00 0.00 H new ATOM 1236 N SER A 87 11.497 -13.376 -1.361 1.00 0.00 N ATOM 1237 CA SER A 87 10.846 -14.637 -1.026 1.00 0.00 C ATOM 1238 C SER A 87 9.748 -14.966 -2.033 1.00 0.00 C ATOM 1239 O SER A 87 9.575 -16.120 -2.426 1.00 0.00 O ATOM 1240 CB SER A 87 10.258 -14.573 0.385 1.00 0.00 C ATOM 1241 OG SER A 87 10.229 -15.856 0.984 1.00 0.00 O ATOM 0 H SER A 87 11.514 -12.695 -0.601 1.00 0.00 H new ATOM 0 HA SER A 87 11.597 -15.426 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.851 -13.895 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.248 -14.165 0.343 1.00 0.00 H new ATOM 0 HG SER A 87 9.851 -15.788 1.885 1.00 0.00 H new ATOM 1247 N LEU A 88 9.007 -13.943 -2.445 1.00 0.00 N ATOM 1248 CA LEU A 88 7.924 -14.121 -3.406 1.00 0.00 C ATOM 1249 C LEU A 88 8.399 -13.817 -4.824 1.00 0.00 C ATOM 1250 O LEU A 88 7.707 -14.115 -5.797 1.00 0.00 O ATOM 1251 CB LEU A 88 6.743 -13.219 -3.047 1.00 0.00 C ATOM 1252 CG LEU A 88 6.318 -13.222 -1.578 1.00 0.00 C ATOM 1253 CD1 LEU A 88 5.676 -11.895 -1.205 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.365 -14.375 -1.300 1.00 0.00 C ATOM 0 H LEU A 88 9.136 -12.982 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 88 7.603 -15.162 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.993 -12.197 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.887 -13.517 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 88 7.208 -13.357 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.380 -11.916 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.391 -11.088 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.796 -11.729 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.073 -14.361 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.477 -14.272 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.860 -15.319 -1.526 1.00 0.00 H new ATOM 1266 N GLU A 89 9.583 -13.223 -4.931 1.00 0.00 N ATOM 1267 CA GLU A 89 10.150 -12.879 -6.230 1.00 0.00 C ATOM 1268 C GLU A 89 9.247 -11.902 -6.976 1.00 0.00 C ATOM 1269 O GLU A 89 9.164 -11.930 -8.204 1.00 0.00 O ATOM 1270 CB GLU A 89 10.358 -14.141 -7.070 1.00 0.00 C ATOM 1271 CG GLU A 89 11.268 -15.166 -6.414 1.00 0.00 C ATOM 1272 CD GLU A 89 10.959 -16.585 -6.850 1.00 0.00 C ATOM 1273 OE1 GLU A 89 11.290 -16.936 -8.001 1.00 0.00 O ATOM 1274 OE2 GLU A 89 10.386 -17.343 -6.040 1.00 0.00 O ATOM 0 H GLU A 89 10.168 -12.970 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 89 11.114 -12.400 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.389 -14.600 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.778 -13.859 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.305 -14.933 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.170 -15.093 -5.331 1.00 0.00 H new ATOM 1281 N ALA A 90 8.571 -11.038 -6.225 1.00 0.00 N ATOM 1282 CA ALA A 90 7.675 -10.051 -6.815 1.00 0.00 C ATOM 1283 C ALA A 90 8.459 -8.947 -7.516 1.00 0.00 C ATOM 1284 O ALA A 90 9.268 -8.256 -6.896 1.00 0.00 O ATOM 1285 CB ALA A 90 6.766 -9.459 -5.747 1.00 0.00 C ATOM 0 H ALA A 90 8.627 -11.002 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 90 7.061 -10.554 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.102 -8.723 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.172 -10.253 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.372 -8.976 -4.980 1.00 0.00 H new ATOM 1291 N LYS A 91 8.216 -8.787 -8.812 1.00 0.00 N ATOM 1292 CA LYS A 91 8.899 -7.767 -9.599 1.00 0.00 C ATOM 1293 C LYS A 91 8.093 -6.472 -9.628 1.00 0.00 C ATOM 1294 O LYS A 91 8.265 -5.643 -10.520 1.00 0.00 O ATOM 1295 CB LYS A 91 9.133 -8.266 -11.027 1.00 0.00 C ATOM 1296 CG LYS A 91 10.361 -9.148 -11.169 1.00 0.00 C ATOM 1297 CD LYS A 91 11.626 -8.320 -11.327 1.00 0.00 C ATOM 1298 CE LYS A 91 12.865 -9.201 -11.385 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.182 -9.799 -10.059 1.00 0.00 N ATOM 0 H LYS A 91 7.550 -9.351 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 91 9.862 -7.565 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.256 -8.823 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.234 -7.408 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.452 -9.790 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.243 -9.802 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.560 -7.723 -12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.712 -7.623 -10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.712 -9.996 -12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.714 -8.611 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.103 -10.280 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.220 -9.049 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.445 -10.487 -9.803 1.00 0.00 H new ATOM 1313 N GLY A 92 7.214 -6.305 -8.644 1.00 0.00 N ATOM 1314 CA GLY A 92 6.396 -5.109 -8.575 1.00 0.00 C ATOM 1315 C GLY A 92 5.543 -5.061 -7.323 1.00 0.00 C ATOM 1316 O GLY A 92 5.246 -6.096 -6.726 1.00 0.00 O ATOM 0 H GLY A 92 7.054 -6.977 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.040 -4.230 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.751 -5.063 -9.452 1.00 0.00 H new ATOM 1320 N VAL A 93 5.148 -3.856 -6.924 1.00 0.00 N ATOM 1321 CA VAL A 93 4.323 -3.678 -5.734 1.00 0.00 C ATOM 1322 C VAL A 93 3.115 -2.797 -6.031 1.00 0.00 C ATOM 1323 O VAL A 93 3.081 -2.087 -7.036 1.00 0.00 O ATOM 1324 CB VAL A 93 5.130 -3.052 -4.581 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.071 -4.079 -3.969 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.901 -1.835 -5.069 1.00 0.00 C ATOM 0 H VAL A 93 5.385 -2.989 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 93 3.982 -4.669 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 93 4.434 -2.726 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.633 -3.619 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.492 -4.917 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.763 -4.438 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.465 -1.406 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.588 -2.133 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.203 -1.093 -5.455 1.00 0.00 H new ATOM 1336 N THR A 94 2.122 -2.847 -5.148 1.00 0.00 N ATOM 1337 CA THR A 94 0.910 -2.055 -5.314 1.00 0.00 C ATOM 1338 C THR A 94 0.528 -1.354 -4.015 1.00 0.00 C ATOM 1339 O THR A 94 1.025 -1.699 -2.943 1.00 0.00 O ATOM 1340 CB THR A 94 -0.271 -2.926 -5.781 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.713 -3.766 -4.709 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.126 -3.783 -6.973 1.00 0.00 C ATOM 0 H THR A 94 2.134 -3.428 -4.310 1.00 0.00 H new ATOM 0 HA THR A 94 1.124 -1.307 -6.077 1.00 0.00 H new ATOM 0 HB THR A 94 -1.084 -2.266 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.083 -4.596 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.725 -4.389 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.434 -3.140 -7.797 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.953 -4.435 -6.693 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.357 -0.368 -4.118 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.807 0.380 -2.950 1.00 0.00 C ATOM 1352 C VAL A 95 -2.325 0.327 -2.815 1.00 0.00 C ATOM 1353 O VAL A 95 -3.053 0.641 -3.757 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.360 1.852 -3.020 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.572 2.539 -1.680 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.096 1.946 -3.452 1.00 0.00 C ATOM 0 H VAL A 95 -0.777 -0.068 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.351 -0.089 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.970 2.364 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.250 3.578 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.629 2.503 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.011 2.029 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.396 2.993 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.724 1.419 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.213 1.493 -4.436 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.795 -0.070 -1.638 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.227 -0.165 -1.379 1.00 0.00 C ATOM 1368 C ARG A 96 -4.643 0.795 -0.269 1.00 0.00 C ATOM 1369 O ARG A 96 -4.027 0.835 0.797 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.605 -1.597 -0.998 1.00 0.00 C ATOM 1371 CG ARG A 96 -3.937 -2.654 -1.863 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.569 -4.022 -1.659 1.00 0.00 C ATOM 1373 NE ARG A 96 -4.147 -4.978 -2.679 1.00 0.00 N ATOM 1374 CZ ARG A 96 -4.660 -6.197 -2.801 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.610 -6.606 -1.972 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -4.224 -7.009 -3.756 1.00 0.00 N ATOM 0 H ARG A 96 -2.205 -0.331 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.755 0.111 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.336 -1.770 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.687 -1.710 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.014 -2.369 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.875 -2.703 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.301 -4.402 -0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.655 -3.926 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.418 -4.694 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.949 -5.984 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.002 -7.543 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.494 -6.697 -4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.618 -7.945 -3.849 1.00 0.00 H new ATOM 1390 N THR A 97 -5.694 1.569 -0.525 1.00 0.00 N ATOM 1391 CA THR A 97 -6.192 2.530 0.451 1.00 0.00 C ATOM 1392 C THR A 97 -6.890 1.825 1.609 1.00 0.00 C ATOM 1393 O THR A 97 -8.008 1.329 1.464 1.00 0.00 O ATOM 1394 CB THR A 97 -7.172 3.528 -0.193 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.718 3.883 -1.504 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.304 4.782 0.659 1.00 0.00 C ATOM 0 H THR A 97 -6.217 1.548 -1.401 1.00 0.00 H new ATOM 0 HA THR A 97 -5.327 3.075 0.829 1.00 0.00 H new ATOM 0 HB THR A 97 -8.149 3.050 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.343 4.522 -1.905 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.001 5.473 0.184 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.676 4.513 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.329 5.260 0.756 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.225 1.786 2.759 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.783 1.142 3.943 1.00 0.00 C ATOM 1406 C LEU A 98 -7.853 2.019 4.586 1.00 0.00 C ATOM 1407 O LEU A 98 -7.702 3.237 4.673 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.675 0.845 4.956 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.413 0.188 4.396 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.362 0.038 5.485 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.744 -1.165 3.782 1.00 0.00 C ATOM 0 H LEU A 98 -5.300 2.192 2.896 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.245 0.205 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.390 1.780 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.084 0.198 5.732 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.008 0.830 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.471 -0.431 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.104 1.021 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.757 -0.583 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.834 -1.618 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.173 -1.815 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.462 -1.032 2.973 1.00 0.00 H new ATOM 1423 N SER A 99 -8.934 1.389 5.036 1.00 0.00 N ATOM 1424 CA SER A 99 -10.031 2.112 5.670 1.00 0.00 C ATOM 1425 C SER A 99 -10.738 1.233 6.697 1.00 0.00 C ATOM 1426 O SER A 99 -10.390 0.067 6.877 1.00 0.00 O ATOM 1427 CB SER A 99 -11.031 2.590 4.616 1.00 0.00 C ATOM 1428 OG SER A 99 -11.529 1.503 3.855 1.00 0.00 O ATOM 0 H SER A 99 -9.074 0.381 4.973 1.00 0.00 H new ATOM 0 HA SER A 99 -9.614 2.978 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.858 3.106 5.103 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.550 3.311 3.955 1.00 0.00 H new ATOM 0 HG SER A 99 -10.781 0.954 3.540 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.734 1.803 7.368 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.492 1.073 8.376 1.00 0.00 C ATOM 1436 C ALA A 100 -13.445 0.074 7.729 1.00 0.00 C ATOM 1437 O ALA A 100 -13.897 -0.873 8.373 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.262 2.041 9.262 1.00 0.00 C ATOM 0 H ALA A 100 -12.034 2.768 7.231 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.786 0.516 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.823 1.481 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.563 2.713 9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.952 2.623 8.651 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.746 0.291 6.453 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.647 -0.591 5.720 1.00 0.00 C ATOM 1446 C GLN A 101 -13.884 -1.759 5.105 1.00 0.00 C ATOM 1447 O GLN A 101 -14.361 -2.893 5.104 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.379 0.188 4.626 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.498 1.072 5.152 1.00 0.00 C ATOM 1450 CD GLN A 101 -15.985 2.225 5.992 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -14.956 2.825 5.681 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -16.703 2.542 7.063 1.00 0.00 N ATOM 0 H GLN A 101 -13.379 1.070 5.905 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.378 -0.989 6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.660 0.807 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.793 -0.517 3.905 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -17.070 1.466 4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.182 0.469 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.550 2.017 7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.408 3.310 7.666 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.695 -1.474 4.582 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.885 -2.511 3.971 1.00 0.00 C ATOM 1463 C GLY A 102 -10.885 -1.956 2.977 1.00 0.00 C ATOM 1464 O GLY A 102 -10.983 -0.799 2.570 1.00 0.00 O ATOM 0 H GLY A 102 -12.279 -0.543 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.353 -3.058 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.535 -3.226 3.467 1.00 0.00 H new ATOM 1468 N GLU A 103 -9.920 -2.783 2.585 1.00 0.00 N ATOM 1469 CA GLU A 103 -8.897 -2.365 1.634 1.00 0.00 C ATOM 1470 C GLU A 103 -9.484 -2.218 0.233 1.00 0.00 C ATOM 1471 O GLU A 103 -10.515 -2.811 -0.085 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.747 -3.374 1.613 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.293 -3.807 2.997 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.706 -5.205 3.006 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -6.422 -5.738 1.913 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -6.530 -5.767 4.108 1.00 0.00 O ATOM 0 H GLU A 103 -9.826 -3.745 2.911 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.515 -1.395 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.057 -4.254 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.901 -2.937 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.549 -3.102 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.140 -3.768 3.682 1.00 0.00 H new ATOM 1483 N SER A 104 -8.821 -1.423 -0.600 1.00 0.00 N ATOM 1484 CA SER A 104 -9.278 -1.194 -1.966 1.00 0.00 C ATOM 1485 C SER A 104 -8.409 -1.952 -2.964 1.00 0.00 C ATOM 1486 O SER A 104 -7.436 -2.605 -2.588 1.00 0.00 O ATOM 1487 CB SER A 104 -9.259 0.301 -2.288 1.00 0.00 C ATOM 1488 OG SER A 104 -7.949 0.830 -2.179 1.00 0.00 O ATOM 0 H SER A 104 -7.965 -0.926 -0.353 1.00 0.00 H new ATOM 0 HA SER A 104 -10.300 -1.563 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.637 0.464 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.926 0.831 -1.608 1.00 0.00 H new ATOM 0 HG SER A 104 -7.964 1.787 -2.391 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.769 -1.861 -4.241 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.023 -2.537 -5.295 1.00 0.00 C ATOM 1496 C VAL A 105 -6.545 -2.166 -5.247 1.00 0.00 C ATOM 1497 O VAL A 105 -6.165 -1.167 -4.637 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.582 -2.193 -6.688 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.034 -2.632 -6.805 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.444 -0.703 -6.964 1.00 0.00 C ATOM 0 H VAL A 105 -9.573 -1.326 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.132 -3.608 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.002 -2.734 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.411 -2.380 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.102 -3.709 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.631 -2.121 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.844 -0.478 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.997 -0.141 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.392 -0.422 -6.926 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.716 -2.977 -5.895 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.278 -2.733 -5.928 1.00 0.00 C ATOM 1512 C ASP A 106 -3.927 -1.697 -6.992 1.00 0.00 C ATOM 1513 O ASP A 106 -4.177 -1.903 -8.179 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.525 -4.036 -6.199 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.332 -5.008 -7.038 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -4.311 -4.880 -8.280 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.983 -5.898 -6.452 1.00 0.00 O ATOM 0 H ASP A 106 -6.015 -3.809 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.977 -2.344 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.588 -3.811 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.267 -4.507 -5.251 1.00 0.00 H new ATOM 1522 N SER A 107 -3.347 -0.583 -6.557 1.00 0.00 N ATOM 1523 CA SER A 107 -2.966 0.487 -7.470 1.00 0.00 C ATOM 1524 C SER A 107 -2.068 -0.043 -8.584 1.00 0.00 C ATOM 1525 O SER A 107 -1.705 -1.219 -8.597 1.00 0.00 O ATOM 1526 CB SER A 107 -2.248 1.604 -6.710 1.00 0.00 C ATOM 1527 OG SER A 107 -1.002 1.158 -6.205 1.00 0.00 O ATOM 0 H SER A 107 -3.131 -0.398 -5.577 1.00 0.00 H new ATOM 0 HA SER A 107 -3.875 0.888 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.092 2.456 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.875 1.950 -5.888 1.00 0.00 H new ATOM 0 HG SER A 107 -0.866 0.219 -6.452 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.715 0.834 -9.518 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.858 0.456 -10.635 1.00 0.00 C ATOM 1535 C ALA A 108 0.413 -0.229 -10.146 1.00 0.00 C ATOM 1536 O ALA A 108 1.315 0.420 -9.615 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.513 1.678 -11.473 1.00 0.00 C ATOM 0 H ALA A 108 -2.009 1.811 -9.523 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.405 -0.254 -11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.127 1.381 -12.303 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.429 2.123 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.010 2.407 -10.855 1.00 0.00 H new ATOM 1543 N VAL A 109 0.479 -1.544 -10.326 1.00 0.00 N ATOM 1544 CA VAL A 109 1.640 -2.317 -9.903 1.00 0.00 C ATOM 1545 C VAL A 109 2.935 -1.674 -10.387 1.00 0.00 C ATOM 1546 O VAL A 109 3.278 -1.756 -11.566 1.00 0.00 O ATOM 1547 CB VAL A 109 1.573 -3.764 -10.426 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.421 -3.779 -11.939 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.807 -4.543 -9.998 1.00 0.00 C ATOM 0 H VAL A 109 -0.259 -2.097 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 109 1.629 -2.331 -8.813 1.00 0.00 H new ATOM 0 HB VAL A 109 0.698 -4.248 -9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.375 -4.810 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.504 -3.260 -12.218 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.275 -3.278 -12.395 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.743 -5.563 -10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.699 -4.062 -10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.866 -4.563 -8.910 1.00 0.00 H new ATOM 1559 N ALA A 110 3.650 -1.033 -9.468 1.00 0.00 N ATOM 1560 CA ALA A 110 4.909 -0.377 -9.801 1.00 0.00 C ATOM 1561 C ALA A 110 6.065 -1.371 -9.791 1.00 0.00 C ATOM 1562 O ALA A 110 6.596 -1.710 -8.733 1.00 0.00 O ATOM 1563 CB ALA A 110 5.182 0.763 -8.831 1.00 0.00 C ATOM 0 H ALA A 110 3.379 -0.954 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 110 4.823 0.030 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.125 1.244 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.374 1.492 -8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.243 0.370 -7.816 1.00 0.00 H new ATOM 1569 N ALA A 111 6.450 -1.835 -10.975 1.00 0.00 N ATOM 1570 CA ALA A 111 7.545 -2.790 -11.102 1.00 0.00 C ATOM 1571 C ALA A 111 8.833 -2.230 -10.507 1.00 0.00 C ATOM 1572 O ALA A 111 9.413 -1.282 -11.037 1.00 0.00 O ATOM 1573 CB ALA A 111 7.754 -3.161 -12.563 1.00 0.00 C ATOM 0 H ALA A 111 6.020 -1.566 -11.860 1.00 0.00 H new ATOM 0 HA ALA A 111 7.278 -3.688 -10.545 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.574 -3.874 -12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.843 -3.610 -12.958 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.995 -2.265 -13.135 1.00 0.00 H new ATOM 1579 N VAL A 112 9.275 -2.823 -9.403 1.00 0.00 N ATOM 1580 CA VAL A 112 10.495 -2.384 -8.736 1.00 0.00 C ATOM 1581 C VAL A 112 11.718 -2.623 -9.614 1.00 0.00 C ATOM 1582 O VAL A 112 11.848 -3.654 -10.274 1.00 0.00 O ATOM 1583 CB VAL A 112 10.692 -3.110 -7.392 1.00 0.00 C ATOM 1584 CG1 VAL A 112 12.005 -2.692 -6.746 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.520 -2.837 -6.462 1.00 0.00 C ATOM 0 H VAL A 112 8.807 -3.609 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 112 10.387 -1.315 -8.551 1.00 0.00 H new ATOM 0 HB VAL A 112 10.733 -4.183 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.127 -3.215 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.833 -2.944 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.997 -1.617 -6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.676 -3.358 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.444 -1.765 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.599 -3.192 -6.924 1.00 0.00 H new ATOM 1595 N PRO A 113 12.638 -1.647 -9.625 1.00 0.00 N ATOM 1596 CA PRO A 113 13.869 -1.728 -10.418 1.00 0.00 C ATOM 1597 C PRO A 113 14.839 -2.772 -9.877 1.00 0.00 C ATOM 1598 O PRO A 113 14.951 -2.984 -8.669 1.00 0.00 O ATOM 1599 CB PRO A 113 14.466 -0.325 -10.290 1.00 0.00 C ATOM 1600 CG PRO A 113 13.924 0.202 -9.006 1.00 0.00 C ATOM 1601 CD PRO A 113 12.549 -0.390 -8.863 1.00 0.00 C ATOM 0 HA PRO A 113 13.672 -2.030 -11.447 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.555 -0.358 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.177 0.306 -11.130 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.560 -0.082 -8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.881 1.291 -9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.296 -0.570 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.783 0.271 -9.267 1.00 0.00 H new ATOM 1609 N PRO A 114 15.560 -3.441 -10.789 1.00 0.00 N ATOM 1610 CA PRO A 114 16.535 -4.473 -10.426 1.00 0.00 C ATOM 1611 C PRO A 114 17.765 -3.892 -9.737 1.00 0.00 C ATOM 1612 O PRO A 114 18.497 -4.604 -9.051 1.00 0.00 O ATOM 1613 CB PRO A 114 16.918 -5.089 -11.774 1.00 0.00 C ATOM 1614 CG PRO A 114 16.657 -4.012 -12.770 1.00 0.00 C ATOM 1615 CD PRO A 114 15.478 -3.240 -12.246 1.00 0.00 C ATOM 0 HA PRO A 114 16.124 -5.190 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.964 -5.395 -11.787 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.323 -5.977 -11.987 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.527 -3.366 -12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.443 -4.433 -13.752 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.539 -2.184 -12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.539 -3.616 -12.652 1.00 0.00 H new ATOM 1623 N GLU A 115 17.986 -2.595 -9.925 1.00 0.00 N ATOM 1624 CA GLU A 115 19.128 -1.919 -9.321 1.00 0.00 C ATOM 1625 C GLU A 115 18.938 -1.770 -7.815 1.00 0.00 C ATOM 1626 O GLU A 115 19.904 -1.780 -7.051 1.00 0.00 O ATOM 1627 CB GLU A 115 19.332 -0.544 -9.960 1.00 0.00 C ATOM 1628 CG GLU A 115 18.321 0.495 -9.504 1.00 0.00 C ATOM 1629 CD GLU A 115 18.088 1.576 -10.541 1.00 0.00 C ATOM 1630 OE1 GLU A 115 19.070 2.235 -10.943 1.00 0.00 O ATOM 1631 OE2 GLU A 115 16.923 1.764 -10.950 1.00 0.00 O ATOM 0 H GLU A 115 17.389 -1.991 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 115 20.014 -2.529 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.336 -0.189 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.274 -0.644 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.375 0.002 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.669 0.954 -8.578 1.00 0.00 H new ATOM 1638 N LEU A 116 17.685 -1.630 -7.394 1.00 0.00 N ATOM 1639 CA LEU A 116 17.366 -1.478 -5.979 1.00 0.00 C ATOM 1640 C LEU A 116 17.181 -2.838 -5.312 1.00 0.00 C ATOM 1641 O LEU A 116 17.532 -3.023 -4.147 1.00 0.00 O ATOM 1642 CB LEU A 116 16.100 -0.637 -5.809 1.00 0.00 C ATOM 1643 CG LEU A 116 16.140 0.767 -6.413 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.839 1.504 -6.137 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.325 1.549 -5.866 1.00 0.00 C ATOM 0 H LEU A 116 16.874 -1.619 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 116 18.201 -0.969 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.266 -1.179 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.889 -0.546 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 116 16.259 0.674 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.886 2.501 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.008 0.953 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.689 1.587 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.338 2.546 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.237 1.632 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.250 1.030 -6.116 1.00 0.00 H new ATOM 1657 N LEU A 117 16.629 -3.787 -6.061 1.00 0.00 N ATOM 1658 CA LEU A 117 16.399 -5.131 -5.544 1.00 0.00 C ATOM 1659 C LEU A 117 17.715 -5.799 -5.158 1.00 0.00 C ATOM 1660 O LEU A 117 17.788 -6.526 -4.167 1.00 0.00 O ATOM 1661 CB LEU A 117 15.669 -5.981 -6.585 1.00 0.00 C ATOM 1662 CG LEU A 117 14.210 -5.609 -6.852 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.781 -6.087 -8.230 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.305 -6.193 -5.777 1.00 0.00 C ATOM 0 H LEU A 117 16.333 -3.650 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 117 15.779 -5.049 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.217 -5.918 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.705 -7.022 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 117 14.121 -4.523 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.740 -5.813 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.409 -5.620 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.886 -7.170 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.271 -5.918 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.398 -7.279 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.597 -5.801 -4.803 1.00 0.00 H new ATOM 1676 N VAL A 118 18.755 -5.545 -5.946 1.00 0.00 N ATOM 1677 CA VAL A 118 20.070 -6.119 -5.686 1.00 0.00 C ATOM 1678 C VAL A 118 20.858 -5.262 -4.701 1.00 0.00 C ATOM 1679 O VAL A 118 21.057 -4.064 -4.904 1.00 0.00 O ATOM 1680 CB VAL A 118 20.884 -6.269 -6.985 1.00 0.00 C ATOM 1681 CG1 VAL A 118 20.985 -4.935 -7.709 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.267 -6.828 -6.685 1.00 0.00 C ATOM 0 H VAL A 118 18.712 -4.945 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 118 19.905 -7.106 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 118 20.367 -6.972 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.564 -5.061 -8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.985 -4.579 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.479 -4.208 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 118 22.829 -6.928 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 118 22.795 -6.152 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.170 -7.806 -6.213 1.00 0.00 H new