USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=21 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 97 THR OG1 : rot 177:sc= -0.755 USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0.505 USER MOD Set 2.1: A 45 THR OG1 : rot 117:sc= -1.29 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.0351 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 1 USER MOD Set 3.2: A 34 THR OG1 : rot -97:sc= 1.19 USER MOD Set 4.1: A 25 THR OG1 : rot 180:sc= -0.216 USER MOD Set 4.2: A 27 GLN : amide:sc= 0 X(o=-0.22,f=-0.22) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00203 USER MOD Single : A 51 ASN : amide:sc= -0.251 K(o=-0.25,f=-3.5!) USER MOD Single : A 54 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.1) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 150:sc= 0.397 USER MOD Single : A 61 TYR OH : rot -2:sc= -0.202 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -5.16 F(o=-6.7!,f=-5.2) USER MOD Single : A 74 THR OG1 : rot 68:sc= 1.05 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -173:sc= -0.175 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -160:sc= 0 USER MOD Single : A 99 SER OG : rot -35:sc= 0.947 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.415 F(o=-2.6,f=-0.41) USER MOD Single : A 107 SER OG : rot 54:sc= -1.04! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.328 2.682 0.738 1.00 0.00 N ATOM 186 CA GLY A 16 -16.188 2.039 0.112 1.00 0.00 C ATOM 187 C GLY A 16 -16.577 1.231 -1.110 1.00 0.00 C ATOM 188 O GLY A 16 -17.751 1.129 -1.465 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.459 2.797 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.701 1.386 0.836 1.00 0.00 H new ATOM 192 N PRO A 17 -15.574 0.641 -1.777 1.00 0.00 N ATOM 193 CA PRO A 17 -14.172 0.756 -1.364 1.00 0.00 C ATOM 194 C PRO A 17 -13.618 2.160 -1.578 1.00 0.00 C ATOM 195 O PRO A 17 -14.087 2.915 -2.430 1.00 0.00 O ATOM 196 CB PRO A 17 -13.452 -0.247 -2.269 1.00 0.00 C ATOM 197 CG PRO A 17 -14.320 -0.360 -3.474 1.00 0.00 C ATOM 198 CD PRO A 17 -15.732 -0.184 -2.987 1.00 0.00 C ATOM 0 HA PRO A 17 -14.043 0.559 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.453 0.102 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.333 -1.211 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.064 0.401 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.192 -1.329 -3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.356 0.310 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.202 -1.141 -2.762 1.00 0.00 H new ATOM 206 N PRO A 18 -12.596 2.521 -0.788 1.00 0.00 N ATOM 207 CA PRO A 18 -11.955 3.837 -0.874 1.00 0.00 C ATOM 208 C PRO A 18 -11.151 4.007 -2.158 1.00 0.00 C ATOM 209 O PRO A 18 -10.382 3.127 -2.541 1.00 0.00 O ATOM 210 CB PRO A 18 -11.029 3.860 0.344 1.00 0.00 C ATOM 211 CG PRO A 18 -10.743 2.426 0.630 1.00 0.00 C ATOM 212 CD PRO A 18 -11.987 1.672 0.249 1.00 0.00 C ATOM 0 HA PRO A 18 -12.685 4.646 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.113 4.412 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.506 4.346 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.884 2.077 0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.504 2.278 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.754 0.678 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.653 1.539 1.101 1.00 0.00 H new ATOM 220 N ALA A 19 -11.334 5.146 -2.818 1.00 0.00 N ATOM 221 CA ALA A 19 -10.623 5.433 -4.058 1.00 0.00 C ATOM 222 C ALA A 19 -9.136 5.125 -3.922 1.00 0.00 C ATOM 223 O ALA A 19 -8.429 5.708 -3.100 1.00 0.00 O ATOM 224 CB ALA A 19 -10.829 6.885 -4.461 1.00 0.00 C ATOM 0 H ALA A 19 -11.968 5.885 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.030 4.790 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.292 7.085 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.892 7.074 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.450 7.538 -3.675 1.00 0.00 H new ATOM 230 N PRO A 20 -8.647 4.186 -4.746 1.00 0.00 N ATOM 231 CA PRO A 20 -7.239 3.779 -4.737 1.00 0.00 C ATOM 232 C PRO A 20 -6.317 4.869 -5.273 1.00 0.00 C ATOM 233 O PRO A 20 -6.693 5.667 -6.131 1.00 0.00 O ATOM 234 CB PRO A 20 -7.216 2.558 -5.659 1.00 0.00 C ATOM 235 CG PRO A 20 -8.382 2.747 -6.567 1.00 0.00 C ATOM 236 CD PRO A 20 -9.432 3.450 -5.752 1.00 0.00 C ATOM 0 HA PRO A 20 -6.881 3.575 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.283 2.503 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.302 1.632 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.105 3.338 -7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.750 1.789 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.032 4.123 -6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.120 2.744 -5.287 1.00 0.00 H new ATOM 244 N PRO A 21 -5.080 4.906 -4.756 1.00 0.00 N ATOM 245 CA PRO A 21 -4.078 5.893 -5.170 1.00 0.00 C ATOM 246 C PRO A 21 -3.583 5.656 -6.592 1.00 0.00 C ATOM 247 O PRO A 21 -3.907 4.642 -7.210 1.00 0.00 O ATOM 248 CB PRO A 21 -2.941 5.686 -4.166 1.00 0.00 C ATOM 249 CG PRO A 21 -3.087 4.274 -3.714 1.00 0.00 C ATOM 250 CD PRO A 21 -4.563 3.985 -3.729 1.00 0.00 C ATOM 0 HA PRO A 21 -4.481 6.906 -5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.969 5.855 -4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.021 6.380 -3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.550 3.595 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.673 4.139 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.766 2.945 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.019 4.171 -2.756 1.00 0.00 H new ATOM 258 N GLN A 22 -2.797 6.597 -7.105 1.00 0.00 N ATOM 259 CA GLN A 22 -2.258 6.490 -8.455 1.00 0.00 C ATOM 260 C GLN A 22 -0.847 7.065 -8.526 1.00 0.00 C ATOM 261 O GLN A 22 -0.308 7.536 -7.525 1.00 0.00 O ATOM 262 CB GLN A 22 -3.167 7.215 -9.449 1.00 0.00 C ATOM 263 CG GLN A 22 -4.495 6.513 -9.683 1.00 0.00 C ATOM 264 CD GLN A 22 -5.130 6.890 -11.007 1.00 0.00 C ATOM 265 OE1 GLN A 22 -6.036 7.723 -11.060 1.00 0.00 O ATOM 266 NE2 GLN A 22 -4.657 6.278 -12.086 1.00 0.00 N ATOM 0 H GLN A 22 -2.519 7.442 -6.606 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.213 5.433 -8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.358 8.224 -9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.645 7.314 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.342 5.434 -9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.180 6.761 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.905 5.594 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.045 6.492 -13.005 1.00 0.00 H new ATOM 275 N ASP A 23 -0.255 7.022 -9.714 1.00 0.00 N ATOM 276 CA ASP A 23 1.093 7.539 -9.916 1.00 0.00 C ATOM 277 C ASP A 23 2.097 6.798 -9.038 1.00 0.00 C ATOM 278 O ASP A 23 3.078 7.377 -8.573 1.00 0.00 O ATOM 279 CB ASP A 23 1.139 9.037 -9.611 1.00 0.00 C ATOM 280 CG ASP A 23 0.834 9.886 -10.829 1.00 0.00 C ATOM 281 OD1 ASP A 23 0.005 9.457 -11.659 1.00 0.00 O ATOM 282 OD2 ASP A 23 1.424 10.979 -10.953 1.00 0.00 O ATOM 0 H ASP A 23 -0.688 6.634 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 23 1.363 7.380 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.422 9.266 -8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.126 9.297 -9.229 1.00 0.00 H new ATOM 287 N VAL A 24 1.843 5.512 -8.814 1.00 0.00 N ATOM 288 CA VAL A 24 2.724 4.691 -7.992 1.00 0.00 C ATOM 289 C VAL A 24 4.087 4.516 -8.652 1.00 0.00 C ATOM 290 O VAL A 24 4.181 4.114 -9.813 1.00 0.00 O ATOM 291 CB VAL A 24 2.111 3.302 -7.728 1.00 0.00 C ATOM 292 CG1 VAL A 24 3.035 2.469 -6.852 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.737 3.439 -7.090 1.00 0.00 C ATOM 0 H VAL A 24 1.035 5.017 -9.190 1.00 0.00 H new ATOM 0 HA VAL A 24 2.848 5.212 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 24 1.993 2.788 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.586 1.491 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.995 2.343 -7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.187 2.975 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.319 2.449 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.827 3.972 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.079 3.995 -7.758 1.00 0.00 H new ATOM 303 N THR A 25 5.143 4.821 -7.905 1.00 0.00 N ATOM 304 CA THR A 25 6.502 4.698 -8.417 1.00 0.00 C ATOM 305 C THR A 25 7.478 4.328 -7.306 1.00 0.00 C ATOM 306 O THR A 25 7.200 4.542 -6.125 1.00 0.00 O ATOM 307 CB THR A 25 6.972 6.005 -9.082 1.00 0.00 C ATOM 308 OG1 THR A 25 8.400 6.095 -9.033 1.00 0.00 O ATOM 309 CG2 THR A 25 6.359 7.214 -8.392 1.00 0.00 C ATOM 0 H THR A 25 5.083 5.155 -6.943 1.00 0.00 H new ATOM 0 HA THR A 25 6.487 3.903 -9.163 1.00 0.00 H new ATOM 0 HB THR A 25 6.645 5.995 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.690 6.928 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.706 8.125 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.272 7.158 -8.457 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.659 7.226 -7.344 1.00 0.00 H new ATOM 317 N VAL A 26 8.622 3.772 -7.690 1.00 0.00 N ATOM 318 CA VAL A 26 9.640 3.374 -6.725 1.00 0.00 C ATOM 319 C VAL A 26 10.913 4.195 -6.898 1.00 0.00 C ATOM 320 O VAL A 26 11.608 4.074 -7.907 1.00 0.00 O ATOM 321 CB VAL A 26 9.985 1.878 -6.858 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.090 1.496 -5.884 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.746 1.024 -6.633 1.00 0.00 C ATOM 0 H VAL A 26 8.867 3.587 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 26 9.225 3.557 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 26 10.346 1.695 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.320 0.436 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.982 2.085 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.760 1.693 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.008 -0.030 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.353 1.209 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.988 1.280 -7.374 1.00 0.00 H new ATOM 333 N GLN A 27 11.212 5.029 -5.908 1.00 0.00 N ATOM 334 CA GLN A 27 12.402 5.871 -5.951 1.00 0.00 C ATOM 335 C GLN A 27 13.585 5.175 -5.288 1.00 0.00 C ATOM 336 O GLN A 27 14.489 4.685 -5.964 1.00 0.00 O ATOM 337 CB GLN A 27 12.131 7.210 -5.263 1.00 0.00 C ATOM 338 CG GLN A 27 10.940 7.959 -5.838 1.00 0.00 C ATOM 339 CD GLN A 27 11.328 8.893 -6.967 1.00 0.00 C ATOM 340 OE1 GLN A 27 11.954 9.930 -6.744 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.957 8.531 -8.190 1.00 0.00 N ATOM 0 H GLN A 27 10.647 5.140 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 27 12.650 6.052 -6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.961 7.035 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.018 7.837 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.205 7.241 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.459 8.533 -5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.439 7.663 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.190 9.121 -8.989 1.00 0.00 H new ATOM 350 N ALA A 28 13.573 5.136 -3.959 1.00 0.00 N ATOM 351 CA ALA A 28 14.645 4.498 -3.204 1.00 0.00 C ATOM 352 C ALA A 28 14.341 4.502 -1.710 1.00 0.00 C ATOM 353 O ALA A 28 13.924 5.517 -1.154 1.00 0.00 O ATOM 354 CB ALA A 28 15.970 5.195 -3.477 1.00 0.00 C ATOM 0 H ALA A 28 12.833 5.538 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 28 14.719 3.461 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.761 4.708 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.200 5.136 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.899 6.241 -3.179 1.00 0.00 H new ATOM 360 N GLY A 29 14.553 3.359 -1.065 1.00 0.00 N ATOM 361 CA GLY A 29 14.295 3.252 0.359 1.00 0.00 C ATOM 362 C GLY A 29 15.464 3.731 1.198 1.00 0.00 C ATOM 363 O GLY A 29 16.622 3.562 0.815 1.00 0.00 O ATOM 0 H GLY A 29 14.899 2.505 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.409 3.835 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.074 2.214 0.608 1.00 0.00 H new ATOM 367 N VAL A 30 15.161 4.331 2.344 1.00 0.00 N ATOM 368 CA VAL A 30 16.195 4.837 3.239 1.00 0.00 C ATOM 369 C VAL A 30 17.371 3.870 3.321 1.00 0.00 C ATOM 370 O VAL A 30 18.515 4.281 3.521 1.00 0.00 O ATOM 371 CB VAL A 30 15.643 5.078 4.656 1.00 0.00 C ATOM 372 CG1 VAL A 30 16.746 5.561 5.585 1.00 0.00 C ATOM 373 CG2 VAL A 30 14.494 6.074 4.617 1.00 0.00 C ATOM 0 H VAL A 30 14.208 4.479 2.675 1.00 0.00 H new ATOM 0 HA VAL A 30 16.536 5.786 2.825 1.00 0.00 H new ATOM 0 HB VAL A 30 15.263 4.133 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.336 5.726 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.534 4.809 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.160 6.495 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.116 6.233 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 30 14.847 7.021 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.695 5.683 3.987 1.00 0.00 H new ATOM 383 N THR A 31 17.083 2.582 3.164 1.00 0.00 N ATOM 384 CA THR A 31 18.116 1.556 3.221 1.00 0.00 C ATOM 385 C THR A 31 18.204 0.790 1.906 1.00 0.00 C ATOM 386 O THR A 31 17.256 0.745 1.122 1.00 0.00 O ATOM 387 CB THR A 31 17.855 0.559 4.366 1.00 0.00 C ATOM 388 OG1 THR A 31 16.454 0.280 4.463 1.00 0.00 O ATOM 389 CG2 THR A 31 18.360 1.112 5.691 1.00 0.00 C ATOM 0 H THR A 31 16.142 2.225 2.996 1.00 0.00 H new ATOM 0 HA THR A 31 19.060 2.069 3.403 1.00 0.00 H new ATOM 0 HB THR A 31 18.394 -0.362 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.297 -0.356 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.165 0.391 6.484 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.432 1.296 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.845 2.046 5.915 1.00 0.00 H new ATOM 397 N PRO A 32 19.367 0.171 1.657 1.00 0.00 N ATOM 398 CA PRO A 32 19.606 -0.606 0.437 1.00 0.00 C ATOM 399 C PRO A 32 18.798 -1.900 0.407 1.00 0.00 C ATOM 400 O PRO A 32 18.843 -2.647 -0.569 1.00 0.00 O ATOM 401 CB PRO A 32 21.104 -0.913 0.499 1.00 0.00 C ATOM 402 CG PRO A 32 21.442 -0.862 1.949 1.00 0.00 C ATOM 403 CD PRO A 32 20.540 0.181 2.548 1.00 0.00 C ATOM 0 HA PRO A 32 19.306 -0.062 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.325 -1.893 0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.681 -0.183 -0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.284 -1.832 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.490 -0.603 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.267 -0.065 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.018 1.160 2.572 1.00 0.00 H new ATOM 411 N ALA A 33 18.060 -2.157 1.482 1.00 0.00 N ATOM 412 CA ALA A 33 17.241 -3.359 1.577 1.00 0.00 C ATOM 413 C ALA A 33 15.757 -3.020 1.483 1.00 0.00 C ATOM 414 O ALA A 33 14.900 -3.894 1.618 1.00 0.00 O ATOM 415 CB ALA A 33 17.536 -4.097 2.874 1.00 0.00 C ATOM 0 H ALA A 33 18.013 -1.549 2.299 1.00 0.00 H new ATOM 0 HA ALA A 33 17.492 -4.008 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.917 -4.993 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.588 -4.380 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.314 -3.448 3.721 1.00 0.00 H new ATOM 421 N THR A 34 15.459 -1.745 1.253 1.00 0.00 N ATOM 422 CA THR A 34 14.078 -1.291 1.144 1.00 0.00 C ATOM 423 C THR A 34 13.913 -0.307 -0.009 1.00 0.00 C ATOM 424 O THR A 34 14.887 0.069 -0.661 1.00 0.00 O ATOM 425 CB THR A 34 13.602 -0.623 2.447 1.00 0.00 C ATOM 426 OG1 THR A 34 14.351 0.574 2.686 1.00 0.00 O ATOM 427 CG2 THR A 34 13.758 -1.568 3.628 1.00 0.00 C ATOM 0 H THR A 34 16.155 -1.009 1.139 1.00 0.00 H new ATOM 0 HA THR A 34 13.468 -2.174 0.954 1.00 0.00 H new ATOM 0 HB THR A 34 12.546 -0.375 2.337 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.082 0.383 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.415 -1.074 4.537 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.164 -2.466 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.807 -1.843 3.738 1.00 0.00 H new ATOM 435 N ILE A 35 12.674 0.106 -0.254 1.00 0.00 N ATOM 436 CA ILE A 35 12.382 1.048 -1.328 1.00 0.00 C ATOM 437 C ILE A 35 11.376 2.101 -0.876 1.00 0.00 C ATOM 438 O ILE A 35 10.845 2.032 0.232 1.00 0.00 O ATOM 439 CB ILE A 35 11.833 0.329 -2.574 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.751 -0.677 -2.174 1.00 0.00 C ATOM 441 CG2 ILE A 35 12.959 -0.366 -3.324 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.770 -0.983 -3.283 1.00 0.00 C ATOM 0 H ILE A 35 11.857 -0.196 0.276 1.00 0.00 H new ATOM 0 HA ILE A 35 13.323 1.535 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 35 11.386 1.071 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.228 -1.604 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.205 -0.288 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.555 -0.870 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.698 0.372 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.433 -1.099 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.032 -1.703 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.265 -0.066 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.304 -1.402 -4.136 1.00 0.00 H new ATOM 454 N ARG A 36 11.116 3.074 -1.744 1.00 0.00 N ATOM 455 CA ARG A 36 10.172 4.141 -1.435 1.00 0.00 C ATOM 456 C ARG A 36 9.068 4.211 -2.486 1.00 0.00 C ATOM 457 O ARG A 36 9.256 4.776 -3.563 1.00 0.00 O ATOM 458 CB ARG A 36 10.898 5.485 -1.353 1.00 0.00 C ATOM 459 CG ARG A 36 10.048 6.602 -0.770 1.00 0.00 C ATOM 460 CD ARG A 36 10.884 7.833 -0.458 1.00 0.00 C ATOM 461 NE ARG A 36 11.198 8.601 -1.660 1.00 0.00 N ATOM 462 CZ ARG A 36 10.378 9.499 -2.194 1.00 0.00 C ATOM 463 NH1 ARG A 36 9.201 9.743 -1.634 1.00 0.00 N ATOM 464 NH2 ARG A 36 10.735 10.157 -3.289 1.00 0.00 N ATOM 0 H ARG A 36 11.546 3.145 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 36 9.717 3.921 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.795 5.367 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.226 5.773 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.259 6.866 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.560 6.252 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.346 8.467 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.810 7.528 0.030 1.00 0.00 H new ATOM 0 HE ARG A 36 12.097 8.439 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.923 9.240 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.573 10.433 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.640 9.974 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.104 10.846 -3.698 1.00 0.00 H new ATOM 478 N VAL A 37 7.915 3.632 -2.165 1.00 0.00 N ATOM 479 CA VAL A 37 6.780 3.629 -3.080 1.00 0.00 C ATOM 480 C VAL A 37 5.991 4.930 -2.981 1.00 0.00 C ATOM 481 O VAL A 37 5.184 5.110 -2.070 1.00 0.00 O ATOM 482 CB VAL A 37 5.835 2.446 -2.799 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.864 2.252 -3.953 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.634 1.176 -2.544 1.00 0.00 C ATOM 0 H VAL A 37 7.743 3.159 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 37 7.186 3.529 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 37 5.256 2.670 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.204 1.412 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.269 3.156 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.421 2.049 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.951 0.350 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.240 0.945 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.284 1.322 -1.682 1.00 0.00 H new ATOM 494 N SER A 38 6.230 5.834 -3.926 1.00 0.00 N ATOM 495 CA SER A 38 5.544 7.120 -3.944 1.00 0.00 C ATOM 496 C SER A 38 4.294 7.057 -4.817 1.00 0.00 C ATOM 497 O SER A 38 4.290 6.417 -5.869 1.00 0.00 O ATOM 498 CB SER A 38 6.482 8.215 -4.455 1.00 0.00 C ATOM 499 OG SER A 38 7.656 8.291 -3.665 1.00 0.00 O ATOM 0 H SER A 38 6.894 5.699 -4.689 1.00 0.00 H new ATOM 0 HA SER A 38 5.242 7.357 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.750 8.013 -5.492 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.967 9.176 -4.440 1.00 0.00 H new ATOM 0 HG SER A 38 8.240 8.997 -4.013 1.00 0.00 H new ATOM 505 N TRP A 39 3.236 7.726 -4.373 1.00 0.00 N ATOM 506 CA TRP A 39 1.980 7.746 -5.113 1.00 0.00 C ATOM 507 C TRP A 39 1.235 9.058 -4.886 1.00 0.00 C ATOM 508 O TRP A 39 1.744 9.964 -4.225 1.00 0.00 O ATOM 509 CB TRP A 39 1.099 6.567 -4.695 1.00 0.00 C ATOM 510 CG TRP A 39 0.782 6.551 -3.231 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.113 7.349 -2.577 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.361 5.697 -2.238 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.126 7.042 -1.237 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.769 6.031 -1.004 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.320 4.681 -2.272 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.107 5.386 0.182 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.655 4.042 -1.093 1.00 0.00 C ATOM 518 CH2 TRP A 39 2.049 4.395 0.120 1.00 0.00 C ATOM 0 H TRP A 39 3.223 8.261 -3.505 1.00 0.00 H new ATOM 0 HA TRP A 39 2.211 7.660 -6.175 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.168 6.600 -5.260 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.600 5.636 -4.961 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.721 8.110 -3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.707 7.493 -0.531 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.791 4.400 -3.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.642 5.658 1.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.397 3.257 -1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.331 3.875 1.024 1.00 0.00 H new ATOM 529 N ARG A 40 0.030 9.152 -5.437 1.00 0.00 N ATOM 530 CA ARG A 40 -0.783 10.354 -5.295 1.00 0.00 C ATOM 531 C ARG A 40 -2.120 10.031 -4.634 1.00 0.00 C ATOM 532 O ARG A 40 -3.015 9.444 -5.242 1.00 0.00 O ATOM 533 CB ARG A 40 -1.020 11.000 -6.661 1.00 0.00 C ATOM 534 CG ARG A 40 0.046 12.011 -7.050 1.00 0.00 C ATOM 535 CD ARG A 40 -0.017 13.253 -6.175 1.00 0.00 C ATOM 536 NE ARG A 40 -0.889 14.278 -6.742 1.00 0.00 N ATOM 537 CZ ARG A 40 -0.482 15.183 -7.625 1.00 0.00 C ATOM 538 NH1 ARG A 40 0.777 15.189 -8.040 1.00 0.00 N ATOM 539 NH2 ARG A 40 -1.335 16.084 -8.095 1.00 0.00 N ATOM 0 H ARG A 40 -0.405 8.411 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.242 11.055 -4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.062 10.219 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.992 11.493 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.032 11.553 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.083 12.294 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.376 12.980 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.987 13.660 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.864 14.300 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.436 14.498 -7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.087 15.885 -8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.305 16.082 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.021 16.778 -8.773 1.00 0.00 H new ATOM 553 N PRO A 41 -2.260 10.422 -3.359 1.00 0.00 N ATOM 554 CA PRO A 41 -3.484 10.185 -2.588 1.00 0.00 C ATOM 555 C PRO A 41 -4.652 11.033 -3.078 1.00 0.00 C ATOM 556 O PRO A 41 -4.540 12.248 -3.248 1.00 0.00 O ATOM 557 CB PRO A 41 -3.090 10.588 -1.164 1.00 0.00 C ATOM 558 CG PRO A 41 -1.979 11.565 -1.341 1.00 0.00 C ATOM 559 CD PRO A 41 -1.234 11.126 -2.571 1.00 0.00 C ATOM 0 HA PRO A 41 -3.827 9.154 -2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.930 11.035 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.769 9.724 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.365 12.578 -1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.324 11.573 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.822 11.975 -3.116 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.399 10.471 -2.323 1.00 0.00 H new ATOM 567 N PRO A 42 -5.801 10.382 -3.312 1.00 0.00 N ATOM 568 CA PRO A 42 -7.012 11.058 -3.785 1.00 0.00 C ATOM 569 C PRO A 42 -7.626 11.961 -2.721 1.00 0.00 C ATOM 570 O PRO A 42 -7.597 11.643 -1.531 1.00 0.00 O ATOM 571 CB PRO A 42 -7.958 9.901 -4.116 1.00 0.00 C ATOM 572 CG PRO A 42 -7.496 8.777 -3.255 1.00 0.00 C ATOM 573 CD PRO A 42 -6.006 8.935 -3.131 1.00 0.00 C ATOM 0 HA PRO A 42 -6.808 11.715 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.994 10.163 -3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.907 9.638 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.975 8.813 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.751 7.815 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.645 8.596 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.476 8.356 -3.887 1.00 0.00 H new ATOM 581 N VAL A 43 -8.182 13.087 -3.155 1.00 0.00 N ATOM 582 CA VAL A 43 -8.805 14.035 -2.239 1.00 0.00 C ATOM 583 C VAL A 43 -9.795 13.337 -1.315 1.00 0.00 C ATOM 584 O VAL A 43 -10.520 12.432 -1.733 1.00 0.00 O ATOM 585 CB VAL A 43 -9.534 15.157 -3.002 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.159 16.145 -2.030 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.579 15.863 -3.952 1.00 0.00 C ATOM 0 H VAL A 43 -8.214 13.365 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.004 14.472 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.334 14.710 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.669 16.930 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.877 15.626 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.380 16.588 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.111 16.653 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.756 16.298 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.184 15.145 -4.671 1.00 0.00 H new ATOM 597 N LEU A 44 -9.823 13.762 -0.056 1.00 0.00 N ATOM 598 CA LEU A 44 -10.726 13.177 0.929 1.00 0.00 C ATOM 599 C LEU A 44 -11.762 14.198 1.391 1.00 0.00 C ATOM 600 O LEU A 44 -11.427 15.340 1.706 1.00 0.00 O ATOM 601 CB LEU A 44 -9.935 12.657 2.130 1.00 0.00 C ATOM 602 CG LEU A 44 -9.017 11.463 1.863 1.00 0.00 C ATOM 603 CD1 LEU A 44 -8.211 11.120 3.106 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.827 10.260 1.401 1.00 0.00 C ATOM 0 H LEU A 44 -9.231 14.509 0.306 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.248 12.344 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.330 13.474 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.641 12.379 2.912 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.322 11.735 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.564 10.268 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.601 11.977 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.889 10.869 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.158 9.420 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.546 9.987 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.358 10.510 0.483 1.00 0.00 H new ATOM 616 N THR A 45 -13.022 13.777 1.432 1.00 0.00 N ATOM 617 CA THR A 45 -14.107 14.653 1.857 1.00 0.00 C ATOM 618 C THR A 45 -13.664 15.562 2.999 1.00 0.00 C ATOM 619 O THR A 45 -12.707 15.274 3.718 1.00 0.00 O ATOM 620 CB THR A 45 -15.338 13.845 2.308 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.946 12.836 3.245 1.00 0.00 O ATOM 622 CG2 THR A 45 -16.026 13.197 1.116 1.00 0.00 C ATOM 0 H THR A 45 -13.317 12.835 1.176 1.00 0.00 H new ATOM 0 HA THR A 45 -14.378 15.262 0.995 1.00 0.00 H new ATOM 0 HB THR A 45 -16.039 14.530 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.377 13.006 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.892 12.632 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.350 13.970 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.329 12.525 0.615 1.00 0.00 H new ATOM 630 N PRO A 46 -14.375 16.686 3.171 1.00 0.00 N ATOM 631 CA PRO A 46 -14.075 17.660 4.225 1.00 0.00 C ATOM 632 C PRO A 46 -14.397 17.126 5.616 1.00 0.00 C ATOM 633 O PRO A 46 -14.470 17.885 6.583 1.00 0.00 O ATOM 634 CB PRO A 46 -14.982 18.844 3.883 1.00 0.00 C ATOM 635 CG PRO A 46 -16.112 18.247 3.117 1.00 0.00 C ATOM 636 CD PRO A 46 -15.528 17.093 2.350 1.00 0.00 C ATOM 0 HA PRO A 46 -13.015 17.913 4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.336 19.345 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.453 19.590 3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.903 17.910 3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.556 18.979 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.247 16.281 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.222 17.391 1.347 1.00 0.00 H new ATOM 644 N THR A 47 -14.590 15.814 5.712 1.00 0.00 N ATOM 645 CA THR A 47 -14.905 15.179 6.985 1.00 0.00 C ATOM 646 C THR A 47 -13.958 14.019 7.270 1.00 0.00 C ATOM 647 O THR A 47 -13.806 13.597 8.416 1.00 0.00 O ATOM 648 CB THR A 47 -16.356 14.660 7.010 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.567 13.744 5.930 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.344 15.812 6.905 1.00 0.00 C ATOM 0 H THR A 47 -14.534 15.171 4.923 1.00 0.00 H new ATOM 0 HA THR A 47 -14.785 15.940 7.756 1.00 0.00 H new ATOM 0 HB THR A 47 -16.519 14.147 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.491 13.418 5.954 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.362 15.422 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.200 16.492 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.179 16.349 5.971 1.00 0.00 H new ATOM 658 N GLY A 48 -13.323 13.507 6.220 1.00 0.00 N ATOM 659 CA GLY A 48 -12.398 12.400 6.380 1.00 0.00 C ATOM 660 C GLY A 48 -12.904 11.125 5.736 1.00 0.00 C ATOM 661 O GLY A 48 -13.011 10.089 6.393 1.00 0.00 O ATOM 0 H GLY A 48 -13.433 13.839 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.436 12.668 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.227 12.224 7.442 1.00 0.00 H new ATOM 665 N LEU A 49 -13.217 11.199 4.447 1.00 0.00 N ATOM 666 CA LEU A 49 -13.716 10.041 3.713 1.00 0.00 C ATOM 667 C LEU A 49 -13.440 10.182 2.220 1.00 0.00 C ATOM 668 O LEU A 49 -13.749 11.209 1.616 1.00 0.00 O ATOM 669 CB LEU A 49 -15.217 9.869 3.952 1.00 0.00 C ATOM 670 CG LEU A 49 -15.678 9.944 5.408 1.00 0.00 C ATOM 671 CD1 LEU A 49 -17.191 10.074 5.483 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.207 8.720 6.181 1.00 0.00 C ATOM 0 H LEU A 49 -13.134 12.048 3.889 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.193 9.157 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.745 10.636 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.521 8.905 3.545 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.235 10.829 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.500 10.126 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.504 10.981 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.654 9.208 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.544 8.791 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.621 7.820 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.118 8.671 6.157 1.00 0.00 H new ATOM 684 N SER A 50 -12.859 9.143 1.629 1.00 0.00 N ATOM 685 CA SER A 50 -12.541 9.151 0.206 1.00 0.00 C ATOM 686 C SER A 50 -13.762 8.774 -0.626 1.00 0.00 C ATOM 687 O SER A 50 -14.345 9.615 -1.309 1.00 0.00 O ATOM 688 CB SER A 50 -11.391 8.185 -0.087 1.00 0.00 C ATOM 689 OG SER A 50 -10.641 8.610 -1.211 1.00 0.00 O ATOM 0 H SER A 50 -12.599 8.284 2.114 1.00 0.00 H new ATOM 0 HA SER A 50 -12.236 10.161 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.739 8.116 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.788 7.186 -0.268 1.00 0.00 H new ATOM 0 HG SER A 50 -9.911 7.977 -1.376 1.00 0.00 H new ATOM 695 N ASN A 51 -14.143 7.502 -0.564 1.00 0.00 N ATOM 696 CA ASN A 51 -15.295 7.012 -1.312 1.00 0.00 C ATOM 697 C ASN A 51 -16.406 6.564 -0.368 1.00 0.00 C ATOM 698 O ASN A 51 -17.208 5.693 -0.705 1.00 0.00 O ATOM 699 CB ASN A 51 -14.883 5.852 -2.220 1.00 0.00 C ATOM 700 CG ASN A 51 -15.999 5.424 -3.154 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.054 6.056 -3.209 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.770 4.345 -3.894 1.00 0.00 N ATOM 0 H ASN A 51 -13.671 6.792 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.673 7.829 -1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.013 6.146 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.581 5.003 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.484 4.009 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.880 3.852 -3.816 1.00 0.00 H new ATOM 709 N GLY A 52 -16.448 7.166 0.817 1.00 0.00 N ATOM 710 CA GLY A 52 -17.464 6.816 1.791 1.00 0.00 C ATOM 711 C GLY A 52 -16.890 6.097 2.996 1.00 0.00 C ATOM 712 O GLY A 52 -17.523 6.032 4.049 1.00 0.00 O ATOM 0 H GLY A 52 -15.796 7.890 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.974 7.721 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.214 6.183 1.317 1.00 0.00 H new ATOM 716 N ALA A 53 -15.687 5.554 2.841 1.00 0.00 N ATOM 717 CA ALA A 53 -15.027 4.836 3.924 1.00 0.00 C ATOM 718 C ALA A 53 -14.061 5.745 4.676 1.00 0.00 C ATOM 719 O ALA A 53 -13.657 6.791 4.171 1.00 0.00 O ATOM 720 CB ALA A 53 -14.295 3.618 3.382 1.00 0.00 C ATOM 0 H ALA A 53 -15.149 5.598 1.975 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.792 4.503 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.807 3.092 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.008 2.951 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.545 3.937 2.658 1.00 0.00 H new ATOM 726 N ASN A 54 -13.695 5.339 5.888 1.00 0.00 N ATOM 727 CA ASN A 54 -12.777 6.118 6.710 1.00 0.00 C ATOM 728 C ASN A 54 -11.336 5.660 6.501 1.00 0.00 C ATOM 729 O ASN A 54 -10.875 4.716 7.143 1.00 0.00 O ATOM 730 CB ASN A 54 -13.153 5.996 8.188 1.00 0.00 C ATOM 731 CG ASN A 54 -14.125 7.073 8.628 1.00 0.00 C ATOM 732 OD1 ASN A 54 -15.340 6.872 8.617 1.00 0.00 O ATOM 733 ND2 ASN A 54 -13.594 8.226 9.019 1.00 0.00 N ATOM 0 H ASN A 54 -14.020 4.475 6.322 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.855 7.162 6.407 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.595 5.016 8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.250 6.055 8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.199 8.988 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.582 8.350 9.012 1.00 0.00 H new ATOM 740 N VAL A 55 -10.631 6.336 5.600 1.00 0.00 N ATOM 741 CA VAL A 55 -9.243 5.999 5.307 1.00 0.00 C ATOM 742 C VAL A 55 -8.333 6.355 6.477 1.00 0.00 C ATOM 743 O VAL A 55 -8.300 7.501 6.928 1.00 0.00 O ATOM 744 CB VAL A 55 -8.744 6.726 4.044 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.286 6.386 3.773 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.614 6.372 2.847 1.00 0.00 C ATOM 0 H VAL A 55 -10.998 7.120 5.060 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.207 4.923 5.136 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.816 7.801 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.951 6.909 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.677 6.695 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.185 5.311 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.247 6.894 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.576 5.296 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.643 6.671 3.044 1.00 0.00 H new ATOM 756 N THR A 56 -7.593 5.365 6.967 1.00 0.00 N ATOM 757 CA THR A 56 -6.682 5.572 8.085 1.00 0.00 C ATOM 758 C THR A 56 -5.239 5.296 7.678 1.00 0.00 C ATOM 759 O THR A 56 -4.332 5.334 8.508 1.00 0.00 O ATOM 760 CB THR A 56 -7.047 4.672 9.281 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.818 3.299 8.949 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.502 4.867 9.680 1.00 0.00 C ATOM 0 H THR A 56 -7.607 4.411 6.606 1.00 0.00 H new ATOM 0 HA THR A 56 -6.779 6.616 8.382 1.00 0.00 H new ATOM 0 HB THR A 56 -6.415 4.951 10.124 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.051 2.734 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.737 4.221 10.526 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.666 5.907 9.961 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.147 4.612 8.839 1.00 0.00 H new ATOM 770 N GLY A 57 -5.034 5.018 6.394 1.00 0.00 N ATOM 771 CA GLY A 57 -3.699 4.740 5.900 1.00 0.00 C ATOM 772 C GLY A 57 -3.712 3.921 4.624 1.00 0.00 C ATOM 773 O GLY A 57 -4.773 3.655 4.059 1.00 0.00 O ATOM 0 H GLY A 57 -5.769 4.980 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.179 5.681 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.136 4.206 6.665 1.00 0.00 H new ATOM 777 N TYR A 58 -2.530 3.522 4.168 1.00 0.00 N ATOM 778 CA TYR A 58 -2.409 2.732 2.948 1.00 0.00 C ATOM 779 C TYR A 58 -1.709 1.405 3.225 1.00 0.00 C ATOM 780 O TYR A 58 -1.222 1.166 4.329 1.00 0.00 O ATOM 781 CB TYR A 58 -1.639 3.514 1.883 1.00 0.00 C ATOM 782 CG TYR A 58 -2.371 4.739 1.384 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.346 4.637 0.400 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.087 5.999 1.896 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.017 5.754 -0.060 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.754 7.121 1.443 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.718 6.993 0.465 1.00 0.00 C ATOM 788 OH TYR A 58 -4.383 8.109 0.011 1.00 0.00 O ATOM 0 H TYR A 58 -1.642 3.732 4.624 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.414 2.523 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.676 3.818 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.432 2.856 1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.584 3.668 -0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.332 6.103 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.772 5.657 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.522 8.093 1.853 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.441 8.771 0.731 1.00 0.00 H new ATOM 798 N GLY A 59 -1.664 0.544 2.213 1.00 0.00 N ATOM 799 CA GLY A 59 -1.022 -0.749 2.367 1.00 0.00 C ATOM 800 C GLY A 59 -0.285 -1.182 1.115 1.00 0.00 C ATOM 801 O GLY A 59 -0.817 -1.087 0.008 1.00 0.00 O ATOM 0 H GLY A 59 -2.060 0.718 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.322 -0.707 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.774 -1.497 2.620 1.00 0.00 H new ATOM 805 N VAL A 60 0.943 -1.660 1.288 1.00 0.00 N ATOM 806 CA VAL A 60 1.755 -2.109 0.164 1.00 0.00 C ATOM 807 C VAL A 60 1.717 -3.627 0.030 1.00 0.00 C ATOM 808 O VAL A 60 1.904 -4.352 1.008 1.00 0.00 O ATOM 809 CB VAL A 60 3.219 -1.654 0.311 1.00 0.00 C ATOM 810 CG1 VAL A 60 4.042 -2.110 -0.884 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.293 -0.144 0.474 1.00 0.00 C ATOM 0 H VAL A 60 1.398 -1.746 2.197 1.00 0.00 H new ATOM 0 HA VAL A 60 1.331 -1.657 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 60 3.636 -2.114 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.074 -1.780 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.015 -3.198 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.628 -1.680 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.335 0.160 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.859 0.338 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.739 0.153 1.364 1.00 0.00 H new ATOM 821 N TYR A 61 1.473 -4.103 -1.186 1.00 0.00 N ATOM 822 CA TYR A 61 1.409 -5.536 -1.447 1.00 0.00 C ATOM 823 C TYR A 61 2.284 -5.912 -2.639 1.00 0.00 C ATOM 824 O TYR A 61 2.494 -5.109 -3.547 1.00 0.00 O ATOM 825 CB TYR A 61 -0.037 -5.963 -1.707 1.00 0.00 C ATOM 826 CG TYR A 61 -0.944 -5.791 -0.510 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.460 -4.545 -0.178 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.285 -6.875 0.290 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.288 -4.383 0.916 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.114 -6.723 1.384 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.612 -5.475 1.694 1.00 0.00 C ATOM 832 OH TYR A 61 -3.438 -5.317 2.783 1.00 0.00 O ATOM 0 H TYR A 61 1.316 -3.517 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 61 1.783 -6.058 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.434 -5.382 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.049 -7.009 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.210 -3.688 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.895 -7.854 0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.679 -3.407 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.371 -7.577 1.993 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.676 -4.371 2.878 1.00 0.00 H new ATOM 842 N ALA A 62 2.792 -7.140 -2.627 1.00 0.00 N ATOM 843 CA ALA A 62 3.643 -7.626 -3.706 1.00 0.00 C ATOM 844 C ALA A 62 2.989 -8.793 -4.437 1.00 0.00 C ATOM 845 O ALA A 62 2.617 -8.679 -5.605 1.00 0.00 O ATOM 846 CB ALA A 62 5.003 -8.036 -3.163 1.00 0.00 C ATOM 0 H ALA A 62 2.629 -7.817 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 62 3.780 -6.814 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.627 -8.397 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.481 -7.177 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.876 -8.829 -2.426 1.00 0.00 H new ATOM 852 N LYS A 63 2.852 -9.918 -3.743 1.00 0.00 N ATOM 853 CA LYS A 63 2.242 -11.108 -4.325 1.00 0.00 C ATOM 854 C LYS A 63 1.078 -11.596 -3.470 1.00 0.00 C ATOM 855 O LYS A 63 0.943 -12.792 -3.212 1.00 0.00 O ATOM 856 CB LYS A 63 3.284 -12.220 -4.471 1.00 0.00 C ATOM 857 CG LYS A 63 4.496 -11.814 -5.291 1.00 0.00 C ATOM 858 CD LYS A 63 4.312 -12.149 -6.762 1.00 0.00 C ATOM 859 CE LYS A 63 3.732 -10.972 -7.532 1.00 0.00 C ATOM 860 NZ LYS A 63 3.325 -11.359 -8.911 1.00 0.00 N ATOM 0 H LYS A 63 3.156 -10.031 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 63 1.859 -10.845 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.614 -12.530 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.815 -13.087 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.670 -10.744 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.382 -12.322 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.272 -12.431 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.652 -13.011 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.869 -10.577 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.470 -10.171 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.935 -10.530 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.153 -11.712 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.602 -12.105 -8.863 1.00 0.00 H new ATOM 874 N GLY A 64 0.237 -10.663 -3.034 1.00 0.00 N ATOM 875 CA GLY A 64 -0.906 -11.019 -2.213 1.00 0.00 C ATOM 876 C GLY A 64 -0.563 -11.083 -0.738 1.00 0.00 C ATOM 877 O GLY A 64 -1.340 -11.603 0.063 1.00 0.00 O ATOM 0 H GLY A 64 0.327 -9.667 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.701 -10.289 -2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.294 -11.985 -2.535 1.00 0.00 H new ATOM 881 N GLN A 65 0.602 -10.554 -0.379 1.00 0.00 N ATOM 882 CA GLN A 65 1.046 -10.556 1.010 1.00 0.00 C ATOM 883 C GLN A 65 1.455 -9.155 1.452 1.00 0.00 C ATOM 884 O GLN A 65 2.440 -8.602 0.964 1.00 0.00 O ATOM 885 CB GLN A 65 2.217 -11.523 1.192 1.00 0.00 C ATOM 886 CG GLN A 65 1.835 -12.983 1.006 1.00 0.00 C ATOM 887 CD GLN A 65 1.548 -13.331 -0.442 1.00 0.00 C ATOM 888 OE1 GLN A 65 2.534 -13.125 -1.307 1.00 0.00 O flip ATOM 889 NE2 GLN A 65 0.452 -13.780 -0.779 1.00 0.00 N flip ATOM 0 H GLN A 65 1.255 -10.119 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 65 0.213 -10.885 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.002 -11.268 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.636 -11.390 2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.642 -13.616 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.955 -13.204 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.277 -13.922 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.274 -14.009 -1.757 1.00 0.00 H new ATOM 898 N ARG A 66 0.691 -8.586 2.379 1.00 0.00 N ATOM 899 CA ARG A 66 0.973 -7.249 2.887 1.00 0.00 C ATOM 900 C ARG A 66 2.430 -7.130 3.324 1.00 0.00 C ATOM 901 O ARG A 66 2.833 -7.698 4.340 1.00 0.00 O ATOM 902 CB ARG A 66 0.049 -6.920 4.060 1.00 0.00 C ATOM 903 CG ARG A 66 -0.144 -5.429 4.284 1.00 0.00 C ATOM 904 CD ARG A 66 -0.615 -5.134 5.700 1.00 0.00 C ATOM 905 NE ARG A 66 -2.021 -5.478 5.892 1.00 0.00 N ATOM 906 CZ ARG A 66 -2.563 -5.717 7.080 1.00 0.00 C ATOM 907 NH1 ARG A 66 -1.821 -5.650 8.177 1.00 0.00 N ATOM 908 NH2 ARG A 66 -3.851 -6.024 7.174 1.00 0.00 N ATOM 0 H ARG A 66 -0.128 -9.030 2.793 1.00 0.00 H new ATOM 0 HA ARG A 66 0.794 -6.536 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.923 -7.381 3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.456 -7.366 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.794 -4.907 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.872 -5.044 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.005 -5.694 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.468 -4.076 5.918 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.619 -5.538 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.831 -5.414 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.240 -5.834 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.425 -6.077 6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.266 -6.207 8.087 1.00 0.00 H new ATOM 922 N VAL A 67 3.216 -6.388 2.551 1.00 0.00 N ATOM 923 CA VAL A 67 4.628 -6.193 2.858 1.00 0.00 C ATOM 924 C VAL A 67 4.832 -4.982 3.761 1.00 0.00 C ATOM 925 O VAL A 67 5.666 -5.003 4.666 1.00 0.00 O ATOM 926 CB VAL A 67 5.462 -6.010 1.576 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.485 -7.297 0.766 1.00 0.00 C ATOM 928 CG2 VAL A 67 4.917 -4.858 0.746 1.00 0.00 C ATOM 0 H VAL A 67 2.899 -5.912 1.707 1.00 0.00 H new ATOM 0 HA VAL A 67 4.965 -7.090 3.377 1.00 0.00 H new ATOM 0 HB VAL A 67 6.486 -5.770 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.079 -7.149 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.926 -8.095 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.467 -7.571 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.518 -4.743 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.884 -5.066 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.958 -3.938 1.329 1.00 0.00 H new ATOM 938 N ALA A 68 4.065 -3.927 3.509 1.00 0.00 N ATOM 939 CA ALA A 68 4.159 -2.706 4.301 1.00 0.00 C ATOM 940 C ALA A 68 2.789 -2.061 4.480 1.00 0.00 C ATOM 941 O ALA A 68 1.833 -2.411 3.789 1.00 0.00 O ATOM 942 CB ALA A 68 5.125 -1.728 3.649 1.00 0.00 C ATOM 0 H ALA A 68 3.371 -3.893 2.762 1.00 0.00 H new ATOM 0 HA ALA A 68 4.538 -2.970 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.186 -0.821 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.113 -2.184 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.770 -1.477 2.649 1.00 0.00 H new ATOM 948 N GLU A 69 2.702 -1.117 5.412 1.00 0.00 N ATOM 949 CA GLU A 69 1.448 -0.425 5.682 1.00 0.00 C ATOM 950 C GLU A 69 1.699 0.894 6.408 1.00 0.00 C ATOM 951 O GLU A 69 2.309 0.921 7.477 1.00 0.00 O ATOM 952 CB GLU A 69 0.520 -1.310 6.517 1.00 0.00 C ATOM 953 CG GLU A 69 0.954 -1.449 7.967 1.00 0.00 C ATOM 954 CD GLU A 69 0.541 -2.776 8.575 1.00 0.00 C ATOM 955 OE1 GLU A 69 -0.645 -3.146 8.439 1.00 0.00 O ATOM 956 OE2 GLU A 69 1.401 -3.443 9.185 1.00 0.00 O ATOM 0 H GLU A 69 3.485 -0.814 5.992 1.00 0.00 H new ATOM 0 HA GLU A 69 0.970 -0.209 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.488 -0.896 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.472 -2.300 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.037 -1.346 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.523 -0.636 8.551 1.00 0.00 H new ATOM 963 N VAL A 70 1.226 1.987 5.818 1.00 0.00 N ATOM 964 CA VAL A 70 1.399 3.309 6.407 1.00 0.00 C ATOM 965 C VAL A 70 0.086 3.831 6.981 1.00 0.00 C ATOM 966 O VAL A 70 -0.912 3.945 6.269 1.00 0.00 O ATOM 967 CB VAL A 70 1.932 4.319 5.373 1.00 0.00 C ATOM 968 CG1 VAL A 70 1.115 4.253 4.092 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.922 5.727 5.950 1.00 0.00 C ATOM 0 H VAL A 70 0.720 1.983 4.932 1.00 0.00 H new ATOM 0 HA VAL A 70 2.128 3.204 7.211 1.00 0.00 H new ATOM 0 HB VAL A 70 2.962 4.057 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.506 4.973 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.179 3.250 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.074 4.489 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.302 6.428 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.903 6.002 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.555 5.761 6.837 1.00 0.00 H new ATOM 979 N ILE A 71 0.095 4.147 8.271 1.00 0.00 N ATOM 980 CA ILE A 71 -1.095 4.658 8.940 1.00 0.00 C ATOM 981 C ILE A 71 -1.312 6.134 8.623 1.00 0.00 C ATOM 982 O ILE A 71 -1.599 6.935 9.512 1.00 0.00 O ATOM 983 CB ILE A 71 -1.001 4.481 10.467 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.591 3.048 10.813 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.329 4.830 11.123 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.501 1.998 10.215 1.00 0.00 C ATOM 0 H ILE A 71 0.913 4.058 8.874 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.941 4.080 8.567 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.238 5.159 10.850 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.427 2.876 10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.580 2.933 11.897 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.247 4.700 12.202 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.583 5.866 10.901 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.109 4.174 10.737 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.150 1.007 10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.516 2.144 10.583 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.493 2.086 9.129 1.00 0.00 H new ATOM 998 N PHE A 72 -1.176 6.485 7.349 1.00 0.00 N ATOM 999 CA PHE A 72 -1.359 7.865 6.913 1.00 0.00 C ATOM 1000 C PHE A 72 -2.239 7.930 5.668 1.00 0.00 C ATOM 1001 O PHE A 72 -1.884 7.435 4.598 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.004 8.516 6.627 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.024 10.014 6.732 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.636 10.638 7.807 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.568 10.798 5.755 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -0.657 12.016 7.905 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.551 12.177 5.848 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.062 12.787 6.925 1.00 0.00 C ATOM 0 H PHE A 72 -0.940 5.834 6.600 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.855 8.410 7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.734 8.121 7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.321 8.234 5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.102 10.041 8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.048 10.326 4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.138 12.490 8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.016 12.777 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.076 13.864 7.001 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.418 8.554 5.810 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.375 8.699 4.709 1.00 0.00 C ATOM 1020 C PRO A 73 -3.881 9.664 3.636 1.00 0.00 C ATOM 1021 O PRO A 73 -4.230 9.535 2.462 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.624 9.257 5.395 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.112 9.950 6.610 1.00 0.00 C ATOM 1024 CD PRO A 73 -3.907 9.168 7.056 1.00 0.00 C ATOM 0 HA PRO A 73 -4.543 7.756 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.159 9.946 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.320 8.461 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.846 10.983 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.871 9.978 7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.154 9.813 7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.169 8.415 7.799 1.00 0.00 H new ATOM 1032 N THR A 74 -3.067 10.632 4.045 1.00 0.00 N ATOM 1033 CA THR A 74 -2.526 11.619 3.120 1.00 0.00 C ATOM 1034 C THR A 74 -1.065 11.328 2.798 1.00 0.00 C ATOM 1035 O THR A 74 -0.293 12.238 2.497 1.00 0.00 O ATOM 1036 CB THR A 74 -2.640 13.045 3.689 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.107 13.087 5.017 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.090 13.507 3.705 1.00 0.00 C ATOM 0 H THR A 74 -2.768 10.753 5.013 1.00 0.00 H new ATOM 0 HA THR A 74 -3.117 11.552 2.207 1.00 0.00 H new ATOM 0 HB THR A 74 -2.068 13.715 3.047 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.137 12.950 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.146 14.517 4.111 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.485 13.502 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.680 12.833 4.327 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.691 10.054 2.862 1.00 0.00 N ATOM 1047 CA ALA A 75 0.677 9.643 2.575 1.00 0.00 C ATOM 1048 C ALA A 75 0.898 9.480 1.075 1.00 0.00 C ATOM 1049 O ALA A 75 0.088 8.863 0.382 1.00 0.00 O ATOM 1050 CB ALA A 75 1.004 8.348 3.303 1.00 0.00 C ATOM 0 H ALA A 75 -1.318 9.288 3.110 1.00 0.00 H new ATOM 0 HA ALA A 75 1.347 10.425 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.029 8.054 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.896 8.497 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.321 7.564 2.975 1.00 0.00 H new ATOM 1056 N ASP A 76 1.998 10.035 0.579 1.00 0.00 N ATOM 1057 CA ASP A 76 2.325 9.951 -0.840 1.00 0.00 C ATOM 1058 C ASP A 76 3.595 9.134 -1.056 1.00 0.00 C ATOM 1059 O ASP A 76 4.151 9.113 -2.154 1.00 0.00 O ATOM 1060 CB ASP A 76 2.496 11.351 -1.430 1.00 0.00 C ATOM 1061 CG ASP A 76 1.302 12.244 -1.159 1.00 0.00 C ATOM 1062 OD1 ASP A 76 0.788 12.219 -0.020 1.00 0.00 O ATOM 1063 OD2 ASP A 76 0.881 12.969 -2.084 1.00 0.00 O ATOM 0 H ASP A 76 2.679 10.548 1.139 1.00 0.00 H new ATOM 0 HA ASP A 76 1.501 9.450 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.392 11.811 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.650 11.272 -2.506 1.00 0.00 H new ATOM 1068 N SER A 77 4.049 8.464 -0.002 1.00 0.00 N ATOM 1069 CA SER A 77 5.257 7.651 -0.076 1.00 0.00 C ATOM 1070 C SER A 77 5.432 6.823 1.194 1.00 0.00 C ATOM 1071 O SER A 77 5.223 7.313 2.304 1.00 0.00 O ATOM 1072 CB SER A 77 6.484 8.539 -0.292 1.00 0.00 C ATOM 1073 OG SER A 77 6.704 9.385 0.823 1.00 0.00 O ATOM 0 H SER A 77 3.599 8.468 0.913 1.00 0.00 H new ATOM 0 HA SER A 77 5.156 6.972 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.363 7.916 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.346 9.143 -1.189 1.00 0.00 H new ATOM 0 HG SER A 77 7.495 9.941 0.661 1.00 0.00 H new ATOM 1079 N THR A 78 5.819 5.562 1.022 1.00 0.00 N ATOM 1080 CA THR A 78 6.022 4.664 2.152 1.00 0.00 C ATOM 1081 C THR A 78 7.194 3.722 1.902 1.00 0.00 C ATOM 1082 O THR A 78 7.544 3.443 0.756 1.00 0.00 O ATOM 1083 CB THR A 78 4.760 3.830 2.440 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.819 3.294 3.767 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.619 2.696 1.435 1.00 0.00 C ATOM 0 H THR A 78 5.998 5.140 0.111 1.00 0.00 H new ATOM 0 HA THR A 78 6.241 5.289 3.018 1.00 0.00 H new ATOM 0 HB THR A 78 3.892 4.483 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.070 2.677 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.720 2.121 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.544 3.109 0.429 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.491 2.045 1.496 1.00 0.00 H new ATOM 1093 N ALA A 79 7.796 3.236 2.982 1.00 0.00 N ATOM 1094 CA ALA A 79 8.928 2.322 2.879 1.00 0.00 C ATOM 1095 C ALA A 79 8.459 0.873 2.806 1.00 0.00 C ATOM 1096 O ALA A 79 7.463 0.500 3.426 1.00 0.00 O ATOM 1097 CB ALA A 79 9.870 2.515 4.059 1.00 0.00 C ATOM 0 H ALA A 79 7.519 3.459 3.938 1.00 0.00 H new ATOM 0 HA ALA A 79 9.465 2.549 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.711 1.827 3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.240 3.540 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.335 2.316 4.988 1.00 0.00 H new ATOM 1103 N VAL A 80 9.182 0.060 2.043 1.00 0.00 N ATOM 1104 CA VAL A 80 8.840 -1.349 1.888 1.00 0.00 C ATOM 1105 C VAL A 80 10.092 -2.217 1.851 1.00 0.00 C ATOM 1106 O VAL A 80 11.084 -1.867 1.213 1.00 0.00 O ATOM 1107 CB VAL A 80 8.024 -1.590 0.605 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.728 -3.072 0.431 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.736 -0.782 0.633 1.00 0.00 C ATOM 0 H VAL A 80 10.009 0.353 1.522 1.00 0.00 H new ATOM 0 HA VAL A 80 8.235 -1.625 2.752 1.00 0.00 H new ATOM 0 HB VAL A 80 8.616 -1.259 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.151 -3.223 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.665 -3.625 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.156 -3.432 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.172 -0.965 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.138 -1.081 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.974 0.279 0.707 1.00 0.00 H new ATOM 1119 N GLU A 81 10.039 -3.353 2.540 1.00 0.00 N ATOM 1120 CA GLU A 81 11.170 -4.272 2.587 1.00 0.00 C ATOM 1121 C GLU A 81 11.332 -5.002 1.256 1.00 0.00 C ATOM 1122 O GLU A 81 10.381 -5.585 0.735 1.00 0.00 O ATOM 1123 CB GLU A 81 10.986 -5.286 3.718 1.00 0.00 C ATOM 1124 CG GLU A 81 11.572 -4.831 5.044 1.00 0.00 C ATOM 1125 CD GLU A 81 10.889 -5.474 6.235 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.827 -4.967 6.654 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.415 -6.483 6.748 1.00 0.00 O ATOM 0 H GLU A 81 9.225 -3.659 3.073 1.00 0.00 H new ATOM 0 HA GLU A 81 12.072 -3.689 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.922 -5.483 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.451 -6.228 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.635 -5.069 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.486 -3.747 5.122 1.00 0.00 H new ATOM 1134 N LEU A 82 12.544 -4.965 0.712 1.00 0.00 N ATOM 1135 CA LEU A 82 12.832 -5.622 -0.558 1.00 0.00 C ATOM 1136 C LEU A 82 12.913 -7.135 -0.382 1.00 0.00 C ATOM 1137 O LEU A 82 12.584 -7.895 -1.293 1.00 0.00 O ATOM 1138 CB LEU A 82 14.144 -5.095 -1.141 1.00 0.00 C ATOM 1139 CG LEU A 82 14.104 -3.676 -1.709 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.467 -3.280 -2.255 1.00 0.00 C ATOM 1141 CD2 LEU A 82 13.040 -3.565 -2.792 1.00 0.00 C ATOM 0 H LEU A 82 13.342 -4.487 1.130 1.00 0.00 H new ATOM 0 HA LEU A 82 12.018 -5.398 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.905 -5.132 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.465 -5.773 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 82 13.846 -2.990 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.419 -2.267 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.205 -3.319 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.756 -3.970 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.026 -2.548 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.267 -4.263 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.064 -3.804 -2.369 1.00 0.00 H new ATOM 1153 N VAL A 83 13.351 -7.567 0.797 1.00 0.00 N ATOM 1154 CA VAL A 83 13.471 -8.989 1.094 1.00 0.00 C ATOM 1155 C VAL A 83 12.142 -9.708 0.891 1.00 0.00 C ATOM 1156 O VAL A 83 12.097 -10.806 0.338 1.00 0.00 O ATOM 1157 CB VAL A 83 13.953 -9.222 2.538 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.815 -9.001 3.523 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.533 -10.620 2.687 1.00 0.00 C ATOM 0 H VAL A 83 13.629 -6.952 1.562 1.00 0.00 H new ATOM 0 HA VAL A 83 14.209 -9.395 0.402 1.00 0.00 H new ATOM 0 HB VAL A 83 14.740 -8.501 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.174 -9.170 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.450 -7.978 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.004 -9.696 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.869 -10.767 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.769 -11.359 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.378 -10.738 2.009 1.00 0.00 H new ATOM 1169 N ARG A 84 11.061 -9.079 1.342 1.00 0.00 N ATOM 1170 CA ARG A 84 9.730 -9.659 1.210 1.00 0.00 C ATOM 1171 C ARG A 84 9.405 -9.948 -0.252 1.00 0.00 C ATOM 1172 O ARG A 84 8.625 -10.850 -0.559 1.00 0.00 O ATOM 1173 CB ARG A 84 8.680 -8.717 1.801 1.00 0.00 C ATOM 1174 CG ARG A 84 8.765 -8.580 3.313 1.00 0.00 C ATOM 1175 CD ARG A 84 7.485 -7.998 3.892 1.00 0.00 C ATOM 1176 NE ARG A 84 6.416 -8.990 3.963 1.00 0.00 N ATOM 1177 CZ ARG A 84 6.354 -9.940 4.889 1.00 0.00 C ATOM 1178 NH1 ARG A 84 7.296 -10.027 5.818 1.00 0.00 N ATOM 1179 NH2 ARG A 84 5.349 -10.807 4.887 1.00 0.00 N ATOM 0 H ARG A 84 11.081 -8.169 1.802 1.00 0.00 H new ATOM 0 HA ARG A 84 9.715 -10.600 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.793 -7.732 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.688 -9.079 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.956 -9.557 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.608 -7.940 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.684 -7.607 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.159 -7.157 3.279 1.00 0.00 H new ATOM 0 HE ARG A 84 5.676 -8.951 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.071 -9.363 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.246 -10.758 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.623 -10.744 4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.303 -11.536 5.599 1.00 0.00 H new ATOM 1193 N LEU A 85 10.007 -9.176 -1.150 1.00 0.00 N ATOM 1194 CA LEU A 85 9.781 -9.348 -2.581 1.00 0.00 C ATOM 1195 C LEU A 85 10.617 -10.500 -3.129 1.00 0.00 C ATOM 1196 O LEU A 85 10.247 -11.131 -4.120 1.00 0.00 O ATOM 1197 CB LEU A 85 10.119 -8.057 -3.329 1.00 0.00 C ATOM 1198 CG LEU A 85 9.586 -6.764 -2.712 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.351 -5.562 -3.244 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.097 -6.615 -2.988 1.00 0.00 C ATOM 0 H LEU A 85 10.655 -8.425 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 85 8.728 -9.583 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.203 -7.979 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.732 -8.138 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 85 9.732 -6.813 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.957 -4.651 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.407 -5.663 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.238 -5.509 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.735 -5.689 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.927 -6.589 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.561 -7.460 -2.556 1.00 0.00 H new ATOM 1212 N ARG A 86 11.742 -10.771 -2.477 1.00 0.00 N ATOM 1213 CA ARG A 86 12.630 -11.848 -2.899 1.00 0.00 C ATOM 1214 C ARG A 86 11.976 -13.209 -2.676 1.00 0.00 C ATOM 1215 O ARG A 86 11.790 -13.981 -3.617 1.00 0.00 O ATOM 1216 CB ARG A 86 13.954 -11.775 -2.136 1.00 0.00 C ATOM 1217 CG ARG A 86 14.577 -10.389 -2.129 1.00 0.00 C ATOM 1218 CD ARG A 86 14.978 -9.952 -3.529 1.00 0.00 C ATOM 1219 NE ARG A 86 16.077 -10.754 -4.060 1.00 0.00 N ATOM 1220 CZ ARG A 86 17.356 -10.518 -3.791 1.00 0.00 C ATOM 1221 NH1 ARG A 86 17.696 -9.508 -3.002 1.00 0.00 N ATOM 1222 NH2 ARG A 86 18.299 -11.293 -4.312 1.00 0.00 N ATOM 0 H ARG A 86 12.061 -10.260 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 86 12.826 -11.728 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.789 -12.095 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.659 -12.479 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.869 -9.673 -1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.453 -10.386 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.118 -10.031 -4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.271 -8.902 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 86 15.850 -11.538 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.974 -8.910 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.679 -9.329 -2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.042 -12.071 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.281 -11.111 -4.105 1.00 0.00 H new ATOM 1236 N SER A 87 11.630 -13.496 -1.425 1.00 0.00 N ATOM 1237 CA SER A 87 11.002 -14.765 -1.078 1.00 0.00 C ATOM 1238 C SER A 87 9.822 -15.057 -2.000 1.00 0.00 C ATOM 1239 O SER A 87 9.616 -16.196 -2.423 1.00 0.00 O ATOM 1240 CB SER A 87 10.533 -14.745 0.378 1.00 0.00 C ATOM 1241 OG SER A 87 11.554 -15.198 1.249 1.00 0.00 O ATOM 0 H SER A 87 11.774 -12.867 -0.635 1.00 0.00 H new ATOM 0 HA SER A 87 11.743 -15.555 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.238 -13.733 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.651 -15.376 0.488 1.00 0.00 H new ATOM 0 HG SER A 87 11.230 -15.174 2.174 1.00 0.00 H new ATOM 1247 N LEU A 88 9.050 -14.021 -2.309 1.00 0.00 N ATOM 1248 CA LEU A 88 7.890 -14.165 -3.181 1.00 0.00 C ATOM 1249 C LEU A 88 8.281 -13.975 -4.643 1.00 0.00 C ATOM 1250 O LEU A 88 7.547 -14.371 -5.548 1.00 0.00 O ATOM 1251 CB LEU A 88 6.809 -13.154 -2.795 1.00 0.00 C ATOM 1252 CG LEU A 88 6.501 -13.037 -1.302 1.00 0.00 C ATOM 1253 CD1 LEU A 88 5.997 -11.642 -0.969 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.484 -14.088 -0.883 1.00 0.00 C ATOM 0 H LEU A 88 9.206 -13.072 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 88 7.496 -15.174 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.110 -12.173 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.889 -13.420 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 88 7.422 -13.210 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.783 -11.578 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.759 -10.908 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.087 -11.439 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.277 -13.990 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.562 -13.947 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.884 -15.082 -1.085 1.00 0.00 H new ATOM 1266 N GLU A 89 9.443 -13.368 -4.866 1.00 0.00 N ATOM 1267 CA GLU A 89 9.932 -13.128 -6.218 1.00 0.00 C ATOM 1268 C GLU A 89 9.013 -12.166 -6.966 1.00 0.00 C ATOM 1269 O GLU A 89 8.771 -12.325 -8.162 1.00 0.00 O ATOM 1270 CB GLU A 89 10.042 -14.446 -6.987 1.00 0.00 C ATOM 1271 CG GLU A 89 10.893 -15.491 -6.284 1.00 0.00 C ATOM 1272 CD GLU A 89 10.591 -16.901 -6.754 1.00 0.00 C ATOM 1273 OE1 GLU A 89 9.420 -17.177 -7.089 1.00 0.00 O ATOM 1274 OE2 GLU A 89 11.527 -17.727 -6.787 1.00 0.00 O ATOM 0 H GLU A 89 10.062 -13.034 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 89 10.921 -12.676 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.042 -14.850 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.464 -14.248 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.947 -15.272 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.726 -15.427 -5.209 1.00 0.00 H new ATOM 1281 N ALA A 90 8.504 -11.168 -6.251 1.00 0.00 N ATOM 1282 CA ALA A 90 7.613 -10.179 -6.846 1.00 0.00 C ATOM 1283 C ALA A 90 8.400 -9.117 -7.605 1.00 0.00 C ATOM 1284 O ALA A 90 9.314 -8.498 -7.059 1.00 0.00 O ATOM 1285 CB ALA A 90 6.750 -9.533 -5.773 1.00 0.00 C ATOM 0 H ALA A 90 8.693 -11.023 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 90 6.966 -10.691 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.090 -8.797 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.152 -10.298 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.389 -9.041 -5.040 1.00 0.00 H new ATOM 1291 N LYS A 91 8.041 -8.909 -8.867 1.00 0.00 N ATOM 1292 CA LYS A 91 8.713 -7.921 -9.702 1.00 0.00 C ATOM 1293 C LYS A 91 7.919 -6.619 -9.750 1.00 0.00 C ATOM 1294 O LYS A 91 8.013 -5.859 -10.713 1.00 0.00 O ATOM 1295 CB LYS A 91 8.904 -8.466 -11.120 1.00 0.00 C ATOM 1296 CG LYS A 91 10.167 -9.294 -11.287 1.00 0.00 C ATOM 1297 CD LYS A 91 11.404 -8.415 -11.363 1.00 0.00 C ATOM 1298 CE LYS A 91 12.678 -9.234 -11.232 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.897 -8.389 -11.366 1.00 0.00 N ATOM 0 H LYS A 91 7.287 -9.412 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 91 9.689 -7.715 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.041 -9.077 -11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.931 -7.632 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.262 -9.986 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.091 -9.896 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.412 -7.877 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.369 -7.666 -10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.689 -9.736 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.690 -10.012 -11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.744 -8.984 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.900 -7.929 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.899 -7.662 -10.622 1.00 0.00 H new ATOM 1313 N GLY A 92 7.139 -6.368 -8.703 1.00 0.00 N ATOM 1314 CA GLY A 92 6.342 -5.156 -8.645 1.00 0.00 C ATOM 1315 C GLY A 92 5.541 -5.050 -7.363 1.00 0.00 C ATOM 1316 O GLY A 92 5.285 -6.053 -6.697 1.00 0.00 O ATOM 0 H GLY A 92 7.045 -6.982 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.997 -4.289 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.663 -5.130 -9.497 1.00 0.00 H new ATOM 1320 N VAL A 93 5.145 -3.830 -7.014 1.00 0.00 N ATOM 1321 CA VAL A 93 4.368 -3.596 -5.803 1.00 0.00 C ATOM 1322 C VAL A 93 3.112 -2.785 -6.103 1.00 0.00 C ATOM 1323 O VAL A 93 2.934 -2.284 -7.214 1.00 0.00 O ATOM 1324 CB VAL A 93 5.200 -2.857 -4.737 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.299 -3.759 -4.198 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.784 -1.575 -5.312 1.00 0.00 C ATOM 0 H VAL A 93 5.350 -2.989 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 93 4.081 -4.574 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 93 4.544 -2.590 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.876 -3.220 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.853 -4.645 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.956 -4.059 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.369 -1.066 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.427 -1.816 -6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.975 -0.924 -5.644 1.00 0.00 H new ATOM 1336 N THR A 94 2.243 -2.660 -5.105 1.00 0.00 N ATOM 1337 CA THR A 94 1.003 -1.911 -5.262 1.00 0.00 C ATOM 1338 C THR A 94 0.631 -1.186 -3.973 1.00 0.00 C ATOM 1339 O THR A 94 1.216 -1.434 -2.919 1.00 0.00 O ATOM 1340 CB THR A 94 -0.162 -2.831 -5.673 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.536 -3.669 -4.574 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.226 -3.694 -6.865 1.00 0.00 C ATOM 0 H THR A 94 2.375 -3.068 -4.180 1.00 0.00 H new ATOM 0 HA THR A 94 1.175 -1.179 -6.051 1.00 0.00 H new ATOM 0 HB THR A 94 -1.008 -2.205 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.032 -4.445 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.612 -4.336 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.483 -3.054 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.085 -4.311 -6.603 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.346 -0.289 -4.064 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.797 0.470 -2.904 1.00 0.00 C ATOM 1352 C VAL A 95 -2.316 0.429 -2.777 1.00 0.00 C ATOM 1353 O VAL A 95 -3.037 0.718 -3.732 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.339 1.939 -2.982 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.585 2.646 -1.658 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.128 2.019 -3.374 1.00 0.00 C ATOM 0 H VAL A 95 -0.840 -0.070 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.349 0.003 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.925 2.444 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.255 3.682 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.649 2.620 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.027 2.143 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.435 3.064 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.732 1.499 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.270 1.552 -4.348 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.795 0.068 -1.591 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.228 -0.012 -1.338 1.00 0.00 C ATOM 1368 C ARG A 96 -4.641 0.959 -0.236 1.00 0.00 C ATOM 1369 O ARG A 96 -3.979 1.061 0.797 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.621 -1.439 -0.949 1.00 0.00 C ATOM 1371 CG ARG A 96 -4.069 -2.499 -1.888 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.748 -3.843 -1.670 1.00 0.00 C ATOM 1373 NE ARG A 96 -4.444 -4.789 -2.741 1.00 0.00 N ATOM 1374 CZ ARG A 96 -4.929 -6.024 -2.789 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.737 -6.461 -1.832 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -4.607 -6.826 -3.796 1.00 0.00 N ATOM 0 H ARG A 96 -2.211 -0.174 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.749 0.263 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.268 -1.642 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.708 -1.515 -0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.211 -2.181 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.995 -2.603 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.428 -4.261 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.827 -3.699 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.826 -4.484 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.987 -5.848 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.108 -7.410 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.986 -6.494 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.980 -7.775 -3.832 1.00 0.00 H new ATOM 1390 N THR A 97 -5.740 1.672 -0.463 1.00 0.00 N ATOM 1391 CA THR A 97 -6.241 2.635 0.509 1.00 0.00 C ATOM 1392 C THR A 97 -6.898 1.933 1.691 1.00 0.00 C ATOM 1393 O THR A 97 -7.986 1.368 1.565 1.00 0.00 O ATOM 1394 CB THR A 97 -7.257 3.601 -0.130 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.788 4.028 -1.413 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.485 4.813 0.761 1.00 0.00 C ATOM 0 H THR A 97 -6.300 1.600 -1.312 1.00 0.00 H new ATOM 0 HA THR A 97 -5.381 3.205 0.861 1.00 0.00 H new ATOM 0 HB THR A 97 -8.203 3.072 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.464 4.598 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.206 5.481 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.870 4.487 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.542 5.341 0.906 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.233 1.972 2.841 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.754 1.339 4.048 1.00 0.00 C ATOM 1406 C LEU A 98 -7.770 2.242 4.741 1.00 0.00 C ATOM 1407 O LEU A 98 -7.583 3.456 4.822 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.610 1.009 5.008 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.417 0.268 4.401 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.342 0.038 5.451 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.863 -1.053 3.793 1.00 0.00 C ATOM 0 H LEU A 98 -5.332 2.435 2.963 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.255 0.415 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.250 1.940 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.009 0.407 5.824 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.995 0.885 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.501 -0.490 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.002 0.998 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.751 -0.559 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.001 -1.566 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.310 -1.677 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.597 -0.864 3.010 1.00 0.00 H new ATOM 1423 N SER A 99 -8.844 1.640 5.241 1.00 0.00 N ATOM 1424 CA SER A 99 -9.891 2.389 5.926 1.00 0.00 C ATOM 1425 C SER A 99 -10.580 1.523 6.976 1.00 0.00 C ATOM 1426 O SER A 99 -10.288 0.335 7.105 1.00 0.00 O ATOM 1427 CB SER A 99 -10.920 2.906 4.919 1.00 0.00 C ATOM 1428 OG SER A 99 -11.546 1.835 4.234 1.00 0.00 O ATOM 0 H SER A 99 -9.012 0.636 5.185 1.00 0.00 H new ATOM 0 HA SER A 99 -9.427 3.238 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.673 3.500 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.432 3.565 4.201 1.00 0.00 H new ATOM 0 HG SER A 99 -10.898 1.113 4.093 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.497 2.129 7.724 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.230 1.414 8.761 1.00 0.00 C ATOM 1436 C ALA A 100 -13.128 0.339 8.158 1.00 0.00 C ATOM 1437 O ALA A 100 -13.443 -0.656 8.810 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.054 2.387 9.591 1.00 0.00 C ATOM 0 H ALA A 100 -11.749 3.113 7.631 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.505 0.923 9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.596 1.839 10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.393 3.115 10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.764 2.905 8.946 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.535 0.547 6.910 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.398 -0.405 6.220 1.00 0.00 C ATOM 1446 C GLN A 101 -13.584 -1.560 5.646 1.00 0.00 C ATOM 1447 O GLN A 101 -13.980 -2.721 5.745 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.172 0.295 5.101 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.458 0.955 5.572 1.00 0.00 C ATOM 1450 CD GLN A 101 -16.262 1.785 6.826 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -15.314 2.713 6.779 1.00 0.00 O flip ATOM 1452 NE2 GLN A 101 -16.956 1.595 7.825 1.00 0.00 N flip ATOM 0 H GLN A 101 -13.281 1.365 6.356 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.106 -0.808 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.532 1.050 4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.410 -0.432 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.848 1.591 4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.208 0.187 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.674 0.870 7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.813 2.162 8.661 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.444 -1.233 5.045 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.593 -2.255 4.463 1.00 0.00 C ATOM 1463 C GLY A 102 -10.532 -1.675 3.550 1.00 0.00 C ATOM 1464 O GLY A 102 -10.124 -0.525 3.715 1.00 0.00 O ATOM 0 H GLY A 102 -12.095 -0.279 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.112 -2.820 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.207 -2.958 3.900 1.00 0.00 H new ATOM 1468 N GLU A 103 -10.082 -2.472 2.586 1.00 0.00 N ATOM 1469 CA GLU A 103 -9.059 -2.030 1.645 1.00 0.00 C ATOM 1470 C GLU A 103 -9.645 -1.854 0.247 1.00 0.00 C ATOM 1471 O GLU A 103 -10.805 -2.186 0.003 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.905 -3.034 1.604 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.440 -3.484 2.979 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.152 -4.282 2.927 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -6.007 -5.115 2.008 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -5.289 -4.072 3.805 1.00 0.00 O ATOM 0 H GLU A 103 -10.409 -3.426 2.436 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.681 -1.066 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.215 -3.908 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.064 -2.587 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.296 -2.610 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.219 -4.089 3.442 1.00 0.00 H new ATOM 1483 N SER A 104 -8.835 -1.329 -0.666 1.00 0.00 N ATOM 1484 CA SER A 104 -9.273 -1.105 -2.039 1.00 0.00 C ATOM 1485 C SER A 104 -8.371 -1.841 -3.024 1.00 0.00 C ATOM 1486 O SER A 104 -7.322 -2.365 -2.651 1.00 0.00 O ATOM 1487 CB SER A 104 -9.280 0.392 -2.356 1.00 0.00 C ATOM 1488 OG SER A 104 -8.006 0.968 -2.125 1.00 0.00 O ATOM 0 H SER A 104 -7.872 -1.051 -0.480 1.00 0.00 H new ATOM 0 HA SER A 104 -10.286 -1.495 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.569 0.545 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.027 0.894 -1.740 1.00 0.00 H new ATOM 0 HG SER A 104 -8.036 1.924 -2.336 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.789 -1.877 -4.286 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.020 -2.548 -5.327 1.00 0.00 C ATOM 1496 C VAL A 105 -6.551 -2.141 -5.274 1.00 0.00 C ATOM 1497 O VAL A 105 -6.195 -1.146 -4.642 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.577 -2.234 -6.728 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.014 -2.718 -6.852 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.482 -0.743 -7.017 1.00 0.00 C ATOM 0 H VAL A 105 -9.656 -1.449 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.105 -3.619 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.975 -2.764 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.391 -2.488 -7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.050 -3.795 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.632 -2.218 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.880 -0.539 -8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.059 -0.191 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.439 -0.429 -6.972 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.704 -2.917 -5.941 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.273 -2.636 -5.972 1.00 0.00 C ATOM 1512 C ASP A 106 -3.943 -1.613 -7.054 1.00 0.00 C ATOM 1513 O ASP A 106 -4.240 -1.821 -8.230 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.485 -3.925 -6.213 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.254 -4.926 -7.051 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -5.032 -5.712 -6.470 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.078 -4.926 -8.287 1.00 0.00 O ATOM 0 H ASP A 106 -5.983 -3.745 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.988 -2.220 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.545 -3.685 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.232 -4.377 -5.254 1.00 0.00 H new ATOM 1522 N SER A 107 -3.327 -0.508 -6.647 1.00 0.00 N ATOM 1523 CA SER A 107 -2.960 0.551 -7.581 1.00 0.00 C ATOM 1524 C SER A 107 -2.072 0.007 -8.697 1.00 0.00 C ATOM 1525 O SER A 107 -1.728 -1.174 -8.711 1.00 0.00 O ATOM 1526 CB SER A 107 -2.239 1.682 -6.846 1.00 0.00 C ATOM 1527 OG SER A 107 -1.145 1.186 -6.095 1.00 0.00 O ATOM 0 H SER A 107 -3.071 -0.322 -5.677 1.00 0.00 H new ATOM 0 HA SER A 107 -3.875 0.942 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.885 2.420 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.938 2.193 -6.183 1.00 0.00 H new ATOM 0 HG SER A 107 -0.557 0.664 -6.680 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.706 0.879 -9.630 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.857 0.489 -10.749 1.00 0.00 C ATOM 1535 C ALA A 108 0.406 -0.213 -10.261 1.00 0.00 C ATOM 1536 O ALA A 108 1.296 0.416 -9.689 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.496 1.706 -11.587 1.00 0.00 C ATOM 0 H ALA A 108 -1.984 1.860 -9.633 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.415 -0.213 -11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.138 1.400 -12.419 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.406 2.164 -11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.039 2.427 -10.969 1.00 0.00 H new ATOM 1543 N VAL A 109 0.477 -1.521 -10.490 1.00 0.00 N ATOM 1544 CA VAL A 109 1.631 -2.308 -10.074 1.00 0.00 C ATOM 1545 C VAL A 109 2.933 -1.661 -10.533 1.00 0.00 C ATOM 1546 O VAL A 109 3.286 -1.721 -11.710 1.00 0.00 O ATOM 1547 CB VAL A 109 1.561 -3.743 -10.629 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.465 -3.725 -12.147 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.767 -4.550 -10.173 1.00 0.00 C ATOM 0 H VAL A 109 -0.251 -2.057 -10.961 1.00 0.00 H new ATOM 0 HA VAL A 109 1.612 -2.346 -8.985 1.00 0.00 H new ATOM 0 HB VAL A 109 0.663 -4.221 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.417 -4.748 -12.521 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.567 -3.186 -12.448 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.343 -3.229 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.701 -5.561 -10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.680 -4.075 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.786 -4.592 -9.084 1.00 0.00 H new ATOM 1559 N ALA A 110 3.642 -1.041 -9.595 1.00 0.00 N ATOM 1560 CA ALA A 110 4.906 -0.384 -9.903 1.00 0.00 C ATOM 1561 C ALA A 110 6.059 -1.383 -9.899 1.00 0.00 C ATOM 1562 O ALA A 110 6.591 -1.727 -8.844 1.00 0.00 O ATOM 1563 CB ALA A 110 5.173 0.737 -8.910 1.00 0.00 C ATOM 0 H ALA A 110 3.362 -0.980 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 110 4.832 0.042 -10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.120 1.219 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.368 1.470 -8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.222 0.326 -7.902 1.00 0.00 H new ATOM 1569 N ALA A 111 6.439 -1.845 -11.086 1.00 0.00 N ATOM 1570 CA ALA A 111 7.529 -2.803 -11.219 1.00 0.00 C ATOM 1571 C ALA A 111 8.811 -2.268 -10.588 1.00 0.00 C ATOM 1572 O ALA A 111 9.389 -1.291 -11.066 1.00 0.00 O ATOM 1573 CB ALA A 111 7.761 -3.139 -12.685 1.00 0.00 C ATOM 0 H ALA A 111 6.008 -1.571 -11.969 1.00 0.00 H new ATOM 0 HA ALA A 111 7.246 -3.713 -10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.578 -3.856 -12.769 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.854 -3.572 -13.107 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.017 -2.231 -13.230 1.00 0.00 H new ATOM 1579 N VAL A 112 9.249 -2.913 -9.512 1.00 0.00 N ATOM 1580 CA VAL A 112 10.463 -2.502 -8.816 1.00 0.00 C ATOM 1581 C VAL A 112 11.694 -2.701 -9.693 1.00 0.00 C ATOM 1582 O VAL A 112 11.833 -3.706 -10.391 1.00 0.00 O ATOM 1583 CB VAL A 112 10.649 -3.285 -7.503 1.00 0.00 C ATOM 1584 CG1 VAL A 112 11.950 -2.886 -6.823 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.463 -3.060 -6.577 1.00 0.00 C ATOM 0 H VAL A 112 8.782 -3.722 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 112 10.353 -1.442 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 112 10.701 -4.348 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.064 -3.449 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.788 -3.103 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.931 -1.819 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.611 -3.620 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.377 -1.998 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.550 -3.400 -7.066 1.00 0.00 H new ATOM 1595 N PRO A 113 12.610 -1.723 -9.657 1.00 0.00 N ATOM 1596 CA PRO A 113 13.847 -1.768 -10.442 1.00 0.00 C ATOM 1597 C PRO A 113 14.818 -2.829 -9.934 1.00 0.00 C ATOM 1598 O PRO A 113 14.910 -3.097 -8.736 1.00 0.00 O ATOM 1599 CB PRO A 113 14.438 -0.368 -10.254 1.00 0.00 C ATOM 1600 CG PRO A 113 13.883 0.106 -8.955 1.00 0.00 C ATOM 1601 CD PRO A 113 12.509 -0.497 -8.848 1.00 0.00 C ATOM 0 HA PRO A 113 13.659 -2.030 -11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.527 -0.398 -10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.154 0.295 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.513 -0.209 -8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.835 1.195 -8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.247 -0.719 -7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.744 0.177 -9.233 1.00 0.00 H new ATOM 1609 N PRO A 114 15.560 -3.447 -10.865 1.00 0.00 N ATOM 1610 CA PRO A 114 16.538 -4.488 -10.534 1.00 0.00 C ATOM 1611 C PRO A 114 17.750 -3.931 -9.797 1.00 0.00 C ATOM 1612 O PRO A 114 18.449 -4.661 -9.095 1.00 0.00 O ATOM 1613 CB PRO A 114 16.949 -5.036 -11.903 1.00 0.00 C ATOM 1614 CG PRO A 114 16.696 -3.915 -12.851 1.00 0.00 C ATOM 1615 CD PRO A 114 15.502 -3.178 -12.311 1.00 0.00 C ATOM 0 HA PRO A 114 16.121 -5.242 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.998 -5.333 -11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.366 -5.918 -12.168 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.563 -3.258 -12.918 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.502 -4.290 -13.856 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.559 -2.110 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.573 -3.541 -12.750 1.00 0.00 H new ATOM 1623 N GLU A 115 17.993 -2.634 -9.961 1.00 0.00 N ATOM 1624 CA GLU A 115 19.122 -1.981 -9.310 1.00 0.00 C ATOM 1625 C GLU A 115 18.889 -1.861 -7.807 1.00 0.00 C ATOM 1626 O GLU A 115 19.822 -1.982 -7.011 1.00 0.00 O ATOM 1627 CB GLU A 115 19.354 -0.594 -9.913 1.00 0.00 C ATOM 1628 CG GLU A 115 18.303 0.428 -9.512 1.00 0.00 C ATOM 1629 CD GLU A 115 18.743 1.854 -9.783 1.00 0.00 C ATOM 1630 OE1 GLU A 115 19.465 2.423 -8.938 1.00 0.00 O ATOM 1631 OE2 GLU A 115 18.364 2.400 -10.840 1.00 0.00 O ATOM 0 H GLU A 115 17.423 -2.016 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 115 20.008 -2.594 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.335 -0.233 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.371 -0.678 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.380 0.227 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.079 0.316 -8.451 1.00 0.00 H new ATOM 1638 N LEU A 116 17.639 -1.623 -7.425 1.00 0.00 N ATOM 1639 CA LEU A 116 17.282 -1.487 -6.017 1.00 0.00 C ATOM 1640 C LEU A 116 17.144 -2.854 -5.355 1.00 0.00 C ATOM 1641 O LEU A 116 17.515 -3.034 -4.195 1.00 0.00 O ATOM 1642 CB LEU A 116 15.975 -0.705 -5.876 1.00 0.00 C ATOM 1643 CG LEU A 116 15.988 0.727 -6.412 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.652 1.406 -6.155 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.122 1.522 -5.781 1.00 0.00 C ATOM 0 H LEU A 116 16.856 -1.520 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 116 18.081 -0.941 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.188 -1.257 -6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.706 -0.674 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 116 16.152 0.690 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.681 2.424 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.859 0.849 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.457 1.432 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.116 2.539 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.989 1.550 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.074 1.047 -6.017 1.00 0.00 H new ATOM 1657 N LEU A 117 16.610 -3.815 -6.101 1.00 0.00 N ATOM 1658 CA LEU A 117 16.425 -5.168 -5.588 1.00 0.00 C ATOM 1659 C LEU A 117 17.764 -5.800 -5.222 1.00 0.00 C ATOM 1660 O LEU A 117 17.856 -6.580 -4.274 1.00 0.00 O ATOM 1661 CB LEU A 117 15.705 -6.034 -6.623 1.00 0.00 C ATOM 1662 CG LEU A 117 14.258 -5.648 -6.932 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.844 -6.177 -8.296 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.324 -6.170 -5.849 1.00 0.00 C ATOM 0 H LEU A 117 16.298 -3.682 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 117 15.815 -5.107 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.274 -6.003 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.718 -7.067 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 117 14.188 -4.560 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.811 -5.893 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.494 -5.755 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.930 -7.264 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.298 -5.886 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.397 -7.256 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.607 -5.742 -4.887 1.00 0.00 H new ATOM 1676 N VAL A 118 18.801 -5.456 -5.979 1.00 0.00 N ATOM 1677 CA VAL A 118 20.136 -5.987 -5.733 1.00 0.00 C ATOM 1678 C VAL A 118 20.889 -5.132 -4.720 1.00 0.00 C ATOM 1679 O VAL A 118 20.990 -3.912 -4.851 1.00 0.00 O ATOM 1680 CB VAL A 118 20.958 -6.064 -7.034 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.141 -4.678 -7.633 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.304 -6.724 -6.775 1.00 0.00 C ATOM 0 H VAL A 118 18.742 -4.812 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 118 20.008 -6.993 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 118 20.412 -6.675 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.724 -4.752 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.165 -4.247 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.665 -4.040 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 118 22.871 -6.770 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 118 22.859 -6.142 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.147 -7.734 -6.395 1.00 0.00 H new