USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 74 GLN :FLIP amide:sc= -0.11 F(o=-0.73,f=-0.11) USER MOD Set 1.2: A 94 GLN : amide:sc= 0 K(o=-0.11,f=-0.73) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 1.07 K(o=1.1,f=-0.015) USER MOD Single : A 24 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 25 SER OG : rot 180:sc= -1.41 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 40 TYR OH : rot 70:sc= -4.35! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.72! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 25:sc= 0.214 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0995 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 60 THR OG1 : rot -27:sc= 0.817 USER MOD Single : A 62 ASN : amide:sc= -0.0457 K(o=-0.046,f=-2.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 70 GLN : amide:sc= -2.33! C(o=-2.3!,f=-2.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 76 ASN : amide:sc= -0.853 K(o=-0.85,f=-3.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 85 ASN : amide:sc= 1.28 K(o=1.3,f=-0.052) USER MOD Single : A 86 GLN : amide:sc= -0.0607 X(o=-0.061,f=0.29) USER MOD Single : A 88 SER OG : rot 76:sc= 0.0483 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.57 F(o=-4.1!,f=-1.6) USER MOD Single : A 97 THR OG1 : rot -167:sc= 2.02 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0643 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.174 -12.159 3.889 1.00 0.00 N ATOM 142 CA ALA A 12 2.222 -10.750 3.539 1.00 0.00 C ATOM 143 C ALA A 12 3.628 -10.215 3.750 1.00 0.00 C ATOM 144 O ALA A 12 4.404 -10.802 4.504 1.00 0.00 O ATOM 145 CB ALA A 12 1.245 -9.976 4.403 1.00 0.00 C ATOM 0 HA ALA A 12 1.948 -10.631 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.283 -8.919 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.236 -10.355 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.513 -10.097 5.453 1.00 0.00 H new ATOM 151 N PRO A 13 3.989 -9.106 3.091 1.00 0.00 N ATOM 152 CA PRO A 13 5.271 -8.449 3.325 1.00 0.00 C ATOM 153 C PRO A 13 5.289 -7.770 4.685 1.00 0.00 C ATOM 154 O PRO A 13 4.296 -7.162 5.094 1.00 0.00 O ATOM 155 CB PRO A 13 5.357 -7.401 2.204 1.00 0.00 C ATOM 156 CG PRO A 13 4.280 -7.763 1.242 1.00 0.00 C ATOM 157 CD PRO A 13 3.207 -8.395 2.071 1.00 0.00 C ATOM 0 HA PRO A 13 6.107 -9.148 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.212 -6.394 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.335 -7.419 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.906 -6.882 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.647 -8.452 0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.541 -7.653 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.586 -9.074 1.486 1.00 0.00 H new ATOM 165 N PRO A 14 6.405 -7.879 5.415 1.00 0.00 N ATOM 166 CA PRO A 14 6.569 -7.202 6.698 1.00 0.00 C ATOM 167 C PRO A 14 6.465 -5.698 6.523 1.00 0.00 C ATOM 168 O PRO A 14 6.647 -5.202 5.408 1.00 0.00 O ATOM 169 CB PRO A 14 7.972 -7.613 7.160 1.00 0.00 C ATOM 170 CG PRO A 14 8.664 -8.105 5.935 1.00 0.00 C ATOM 171 CD PRO A 14 7.593 -8.658 5.040 1.00 0.00 C ATOM 0 HA PRO A 14 5.801 -7.473 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.504 -6.769 7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.923 -8.391 7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.204 -7.296 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.397 -8.872 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.843 -8.529 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.443 -9.725 5.204 1.00 0.00 H new ATOM 179 N ASP A 15 6.186 -4.991 7.621 1.00 0.00 N ATOM 180 CA ASP A 15 5.861 -3.560 7.581 1.00 0.00 C ATOM 181 C ASP A 15 6.770 -2.797 6.617 1.00 0.00 C ATOM 182 O ASP A 15 7.964 -2.624 6.858 1.00 0.00 O ATOM 183 CB ASP A 15 5.922 -2.940 8.990 1.00 0.00 C ATOM 184 CG ASP A 15 7.311 -2.928 9.602 1.00 0.00 C ATOM 185 OD1 ASP A 15 7.781 -3.994 10.054 1.00 0.00 O ATOM 186 OD2 ASP A 15 7.935 -1.846 9.661 1.00 0.00 O ATOM 0 H ASP A 15 6.179 -5.391 8.559 1.00 0.00 H new ATOM 0 HA ASP A 15 4.840 -3.472 7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.549 -1.917 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.251 -3.493 9.648 1.00 0.00 H new ATOM 191 N PRO A 16 6.210 -2.381 5.472 1.00 0.00 N ATOM 192 CA PRO A 16 6.939 -1.607 4.463 1.00 0.00 C ATOM 193 C PRO A 16 7.293 -0.219 4.966 1.00 0.00 C ATOM 194 O PRO A 16 6.626 0.334 5.843 1.00 0.00 O ATOM 195 CB PRO A 16 5.957 -1.533 3.277 1.00 0.00 C ATOM 196 CG PRO A 16 4.967 -2.608 3.551 1.00 0.00 C ATOM 197 CD PRO A 16 4.832 -2.645 5.044 1.00 0.00 C ATOM 0 HA PRO A 16 7.892 -2.066 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.477 -0.556 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.467 -1.695 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.011 -2.394 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.309 -3.567 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.137 -1.890 5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.471 -3.610 5.399 1.00 0.00 H new ATOM 205 N THR A 17 8.354 0.328 4.418 1.00 0.00 N ATOM 206 CA THR A 17 8.832 1.636 4.819 1.00 0.00 C ATOM 207 C THR A 17 8.635 2.644 3.711 1.00 0.00 C ATOM 208 O THR A 17 8.949 2.396 2.545 1.00 0.00 O ATOM 209 CB THR A 17 10.318 1.582 5.224 1.00 0.00 C ATOM 210 OG1 THR A 17 10.502 0.612 6.265 1.00 0.00 O ATOM 211 CG2 THR A 17 10.812 2.941 5.701 1.00 0.00 C ATOM 0 H THR A 17 8.909 -0.116 3.686 1.00 0.00 H new ATOM 0 HA THR A 17 8.248 1.949 5.685 1.00 0.00 H new ATOM 0 HB THR A 17 10.897 1.297 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.448 0.580 6.518 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.863 2.869 5.979 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.698 3.671 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.229 3.257 6.566 1.00 0.00 H new ATOM 219 N VAL A 18 8.065 3.760 4.097 1.00 0.00 N ATOM 220 CA VAL A 18 7.893 4.894 3.207 1.00 0.00 C ATOM 221 C VAL A 18 9.195 5.681 3.105 1.00 0.00 C ATOM 222 O VAL A 18 9.760 6.110 4.111 1.00 0.00 O ATOM 223 CB VAL A 18 6.756 5.819 3.684 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.678 7.073 2.818 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.426 5.080 3.682 1.00 0.00 C ATOM 0 H VAL A 18 7.705 3.913 5.039 1.00 0.00 H new ATOM 0 HA VAL A 18 7.623 4.509 2.224 1.00 0.00 H new ATOM 0 HB VAL A 18 6.974 6.126 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.869 7.711 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.621 7.616 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.489 6.789 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.637 5.751 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.201 4.738 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.486 4.221 4.351 1.00 0.00 H new ATOM 235 N ASP A 19 9.661 5.854 1.880 1.00 0.00 N ATOM 236 CA ASP A 19 10.932 6.512 1.614 1.00 0.00 C ATOM 237 C ASP A 19 10.775 8.026 1.598 1.00 0.00 C ATOM 238 O ASP A 19 11.531 8.747 2.248 1.00 0.00 O ATOM 239 CB ASP A 19 11.492 6.027 0.276 1.00 0.00 C ATOM 240 CG ASP A 19 12.783 6.720 -0.111 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.815 6.483 0.549 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.774 7.492 -1.091 1.00 0.00 O ATOM 0 H ASP A 19 9.171 5.543 1.041 1.00 0.00 H new ATOM 0 HA ASP A 19 11.627 6.255 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.665 4.952 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.749 6.193 -0.504 1.00 0.00 H new ATOM 247 N GLN A 20 9.786 8.503 0.858 1.00 0.00 N ATOM 248 CA GLN A 20 9.555 9.934 0.717 1.00 0.00 C ATOM 249 C GLN A 20 8.077 10.253 0.819 1.00 0.00 C ATOM 250 O GLN A 20 7.229 9.492 0.342 1.00 0.00 O ATOM 251 CB GLN A 20 10.113 10.432 -0.617 1.00 0.00 C ATOM 252 CG GLN A 20 11.630 10.527 -0.643 1.00 0.00 C ATOM 253 CD GLN A 20 12.177 10.771 -2.033 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.322 11.915 -2.468 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.510 9.698 -2.728 1.00 0.00 N ATOM 0 H GLN A 20 9.128 7.918 0.344 1.00 0.00 H new ATOM 0 HA GLN A 20 10.073 10.446 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.785 9.762 -1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.692 11.414 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.951 11.334 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.054 9.604 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.373 8.769 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.904 9.798 -3.663 1.00 0.00 H new ATOM 264 N VAL A 21 7.777 11.370 1.465 1.00 0.00 N ATOM 265 CA VAL A 21 6.405 11.819 1.632 1.00 0.00 C ATOM 266 C VAL A 21 6.250 13.280 1.208 1.00 0.00 C ATOM 267 O VAL A 21 6.975 14.161 1.672 1.00 0.00 O ATOM 268 CB VAL A 21 5.909 11.646 3.092 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.872 10.179 3.480 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.781 12.418 4.071 1.00 0.00 C ATOM 0 H VAL A 21 8.473 11.986 1.885 1.00 0.00 H new ATOM 0 HA VAL A 21 5.791 11.191 0.987 1.00 0.00 H new ATOM 0 HB VAL A 21 4.898 12.051 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.521 10.083 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.195 9.643 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.873 9.755 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.405 12.275 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.807 12.054 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.757 13.479 3.822 1.00 0.00 H new ATOM 280 N ASP A 22 5.316 13.526 0.308 1.00 0.00 N ATOM 281 CA ASP A 22 5.007 14.878 -0.132 1.00 0.00 C ATOM 282 C ASP A 22 3.527 15.161 0.055 1.00 0.00 C ATOM 283 O ASP A 22 2.828 14.406 0.726 1.00 0.00 O ATOM 284 CB ASP A 22 5.392 15.084 -1.601 1.00 0.00 C ATOM 285 CG ASP A 22 6.877 15.311 -1.800 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.342 16.447 -1.569 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.585 14.361 -2.202 1.00 0.00 O ATOM 0 H ASP A 22 4.753 12.802 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 22 5.589 15.571 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.083 14.212 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.844 15.938 -1.998 1.00 0.00 H new ATOM 292 N ASP A 23 3.060 16.253 -0.527 1.00 0.00 N ATOM 293 CA ASP A 23 1.657 16.636 -0.456 1.00 0.00 C ATOM 294 C ASP A 23 0.753 15.600 -1.113 1.00 0.00 C ATOM 295 O ASP A 23 -0.066 14.964 -0.455 1.00 0.00 O ATOM 296 CB ASP A 23 1.454 18.000 -1.129 1.00 0.00 C ATOM 297 CG ASP A 23 2.207 18.130 -2.441 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.432 18.365 -2.401 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.580 18.001 -3.511 1.00 0.00 O ATOM 0 H ASP A 23 3.641 16.899 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 23 1.384 16.698 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.390 18.156 -1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.780 18.787 -0.449 1.00 0.00 H new ATOM 304 N THR A 24 0.922 15.439 -2.407 1.00 0.00 N ATOM 305 CA THR A 24 0.049 14.610 -3.213 1.00 0.00 C ATOM 306 C THR A 24 0.786 13.365 -3.713 1.00 0.00 C ATOM 307 O THR A 24 0.532 12.882 -4.812 1.00 0.00 O ATOM 308 CB THR A 24 -0.458 15.440 -4.406 1.00 0.00 C ATOM 309 OG1 THR A 24 0.655 16.038 -5.082 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.391 16.539 -3.922 1.00 0.00 C ATOM 0 H THR A 24 1.674 15.882 -2.935 1.00 0.00 H new ATOM 0 HA THR A 24 -0.792 14.278 -2.605 1.00 0.00 H new ATOM 0 HB THR A 24 -0.998 14.782 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.989 16.795 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.743 17.119 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.244 16.093 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.856 17.194 -3.234 1.00 0.00 H new ATOM 318 N SER A 25 1.686 12.840 -2.884 1.00 0.00 N ATOM 319 CA SER A 25 2.531 11.714 -3.270 1.00 0.00 C ATOM 320 C SER A 25 3.277 11.140 -2.063 1.00 0.00 C ATOM 321 O SER A 25 3.743 11.883 -1.200 1.00 0.00 O ATOM 322 CB SER A 25 3.527 12.136 -4.357 1.00 0.00 C ATOM 323 OG SER A 25 4.290 13.258 -3.949 1.00 0.00 O ATOM 0 H SER A 25 1.849 13.179 -1.936 1.00 0.00 H new ATOM 0 HA SER A 25 1.883 10.934 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.193 11.304 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.988 12.374 -5.274 1.00 0.00 H new ATOM 0 HG SER A 25 4.917 13.503 -4.661 1.00 0.00 H new ATOM 329 N ILE A 26 3.362 9.817 -2.006 1.00 0.00 N ATOM 330 CA ILE A 26 4.102 9.109 -0.948 1.00 0.00 C ATOM 331 C ILE A 26 4.639 7.800 -1.514 1.00 0.00 C ATOM 332 O ILE A 26 3.949 7.144 -2.273 1.00 0.00 O ATOM 333 CB ILE A 26 3.207 8.808 0.293 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.060 10.046 1.183 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.753 7.643 1.106 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.241 9.801 2.437 1.00 0.00 C ATOM 0 H ILE A 26 2.923 9.197 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 26 4.917 9.752 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 26 2.222 8.531 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.052 10.396 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.594 10.845 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.104 7.462 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.789 6.750 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.757 7.882 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.180 10.722 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.237 9.480 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.717 9.025 3.037 1.00 0.00 H new ATOM 348 N VAL A 27 5.853 7.405 -1.168 1.00 0.00 N ATOM 349 CA VAL A 27 6.408 6.188 -1.736 1.00 0.00 C ATOM 350 C VAL A 27 6.643 5.158 -0.655 1.00 0.00 C ATOM 351 O VAL A 27 7.294 5.447 0.341 1.00 0.00 O ATOM 352 CB VAL A 27 7.734 6.435 -2.454 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.205 5.145 -3.104 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.595 7.542 -3.481 1.00 0.00 C ATOM 0 H VAL A 27 6.461 7.896 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 27 5.678 5.826 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 27 8.479 6.757 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.151 5.320 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.343 4.381 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.460 4.807 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.552 7.699 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.844 7.261 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.289 8.463 -2.984 1.00 0.00 H new ATOM 364 N VAL A 28 6.144 3.951 -0.856 1.00 0.00 N ATOM 365 CA VAL A 28 6.265 2.926 0.161 1.00 0.00 C ATOM 366 C VAL A 28 6.935 1.689 -0.421 1.00 0.00 C ATOM 367 O VAL A 28 6.745 1.379 -1.593 1.00 0.00 O ATOM 368 CB VAL A 28 4.894 2.562 0.780 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.877 3.662 0.570 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.376 1.242 0.258 1.00 0.00 C ATOM 0 H VAL A 28 5.657 3.660 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 28 6.886 3.325 0.963 1.00 0.00 H new ATOM 0 HB VAL A 28 5.051 2.454 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.927 3.370 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.232 4.580 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.738 3.830 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.412 1.022 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.258 1.300 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.084 0.450 0.504 1.00 0.00 H new ATOM 380 N ARG A 29 7.719 0.998 0.398 1.00 0.00 N ATOM 381 CA ARG A 29 8.503 -0.149 -0.059 1.00 0.00 C ATOM 382 C ARG A 29 8.310 -1.339 0.868 1.00 0.00 C ATOM 383 O ARG A 29 8.613 -1.264 2.056 1.00 0.00 O ATOM 384 CB ARG A 29 9.990 0.216 -0.107 1.00 0.00 C ATOM 385 CG ARG A 29 10.278 1.541 -0.797 1.00 0.00 C ATOM 386 CD ARG A 29 11.750 1.899 -0.723 1.00 0.00 C ATOM 387 NE ARG A 29 12.231 1.938 0.658 1.00 0.00 N ATOM 388 CZ ARG A 29 13.166 2.777 1.099 1.00 0.00 C ATOM 389 NH1 ARG A 29 13.755 3.623 0.264 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.523 2.753 2.374 1.00 0.00 N ATOM 0 H ARG A 29 7.831 1.212 1.389 1.00 0.00 H new ATOM 0 HA ARG A 29 8.158 -0.418 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.377 0.256 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.532 -0.576 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.969 1.484 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.687 2.330 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.330 1.171 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.912 2.870 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 29 11.825 1.282 1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.492 3.633 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.471 4.264 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.082 2.093 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.239 3.394 2.715 1.00 0.00 H new ATOM 404 N TRP A 30 7.847 -2.439 0.297 1.00 0.00 N ATOM 405 CA TRP A 30 7.505 -3.640 1.060 1.00 0.00 C ATOM 406 C TRP A 30 8.426 -4.806 0.700 1.00 0.00 C ATOM 407 O TRP A 30 8.824 -4.966 -0.455 1.00 0.00 O ATOM 408 CB TRP A 30 6.030 -4.027 0.820 1.00 0.00 C ATOM 409 CG TRP A 30 5.672 -4.215 -0.617 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.845 -5.337 -1.352 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.047 -3.267 -1.479 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.413 -5.138 -2.635 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.903 -3.878 -2.735 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.604 -1.958 -1.314 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.331 -3.228 -3.817 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.030 -1.318 -2.389 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.897 -1.951 -3.622 1.00 0.00 C ATOM 0 H TRP A 30 7.696 -2.530 -0.708 1.00 0.00 H new ATOM 0 HA TRP A 30 7.643 -3.417 2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.816 -4.949 1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.390 -3.254 1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.265 -6.260 -0.979 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.464 -5.820 -3.392 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.708 -1.456 -0.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.233 -3.714 -4.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.676 -0.304 -2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.440 -1.418 -4.442 1.00 0.00 H new ATOM 428 N SER A 31 8.768 -5.614 1.695 1.00 0.00 N ATOM 429 CA SER A 31 9.590 -6.793 1.473 1.00 0.00 C ATOM 430 C SER A 31 8.698 -7.988 1.140 1.00 0.00 C ATOM 431 O SER A 31 8.123 -8.615 2.027 1.00 0.00 O ATOM 432 CB SER A 31 10.452 -7.086 2.706 1.00 0.00 C ATOM 433 OG SER A 31 11.419 -8.089 2.438 1.00 0.00 O ATOM 0 H SER A 31 8.487 -5.473 2.665 1.00 0.00 H new ATOM 0 HA SER A 31 10.258 -6.608 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.953 -6.173 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.814 -7.405 3.530 1.00 0.00 H new ATOM 0 HG SER A 31 11.953 -8.252 3.243 1.00 0.00 H new ATOM 439 N ARG A 32 8.585 -8.273 -0.151 1.00 0.00 N ATOM 440 CA ARG A 32 7.691 -9.304 -0.680 1.00 0.00 C ATOM 441 C ARG A 32 7.870 -10.667 0.008 1.00 0.00 C ATOM 442 O ARG A 32 8.915 -10.951 0.597 1.00 0.00 O ATOM 443 CB ARG A 32 7.925 -9.459 -2.187 1.00 0.00 C ATOM 444 CG ARG A 32 8.030 -8.136 -2.930 1.00 0.00 C ATOM 445 CD ARG A 32 9.449 -7.587 -2.921 1.00 0.00 C ATOM 446 NE ARG A 32 9.981 -7.428 -4.276 1.00 0.00 N ATOM 447 CZ ARG A 32 11.281 -7.368 -4.571 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.195 -7.456 -3.610 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.663 -7.219 -5.832 1.00 0.00 N ATOM 0 H ARG A 32 9.118 -7.789 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 32 6.671 -8.976 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.841 -10.029 -2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.109 -10.041 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.701 -8.272 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.358 -7.410 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.463 -6.624 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.094 -8.258 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 32 9.314 -7.359 -5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.905 -7.570 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.187 -7.409 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.964 -7.151 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.656 -7.173 -6.062 1.00 0.00 H new ATOM 463 N PRO A 33 6.843 -11.533 -0.089 1.00 0.00 N ATOM 464 CA PRO A 33 6.811 -12.840 0.558 1.00 0.00 C ATOM 465 C PRO A 33 7.562 -13.893 -0.244 1.00 0.00 C ATOM 466 O PRO A 33 7.880 -13.693 -1.416 1.00 0.00 O ATOM 467 CB PRO A 33 5.307 -13.189 0.586 1.00 0.00 C ATOM 468 CG PRO A 33 4.599 -12.030 -0.041 1.00 0.00 C ATOM 469 CD PRO A 33 5.625 -11.324 -0.863 1.00 0.00 C ATOM 0 HA PRO A 33 7.284 -12.817 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.110 -14.109 0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.963 -13.349 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.767 -12.368 -0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.183 -11.368 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.703 -11.745 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.394 -10.265 -0.979 1.00 0.00 H new ATOM 477 N GLN A 34 7.828 -15.023 0.396 1.00 0.00 N ATOM 478 CA GLN A 34 8.483 -16.140 -0.266 1.00 0.00 C ATOM 479 C GLN A 34 7.436 -17.018 -0.940 1.00 0.00 C ATOM 480 O GLN A 34 7.760 -17.981 -1.636 1.00 0.00 O ATOM 481 CB GLN A 34 9.294 -16.948 0.740 1.00 0.00 C ATOM 482 CG GLN A 34 10.246 -16.099 1.567 1.00 0.00 C ATOM 483 CD GLN A 34 11.054 -16.917 2.552 1.00 0.00 C ATOM 484 OE1 GLN A 34 12.151 -17.383 2.239 1.00 0.00 O ATOM 485 NE2 GLN A 34 10.519 -17.098 3.748 1.00 0.00 N ATOM 0 H GLN A 34 7.599 -15.190 1.376 1.00 0.00 H new ATOM 0 HA GLN A 34 9.166 -15.758 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.611 -17.472 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.866 -17.709 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.925 -15.567 0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.676 -15.345 2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.608 -16.694 3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.018 -17.641 4.453 1.00 0.00 H new ATOM 494 N ALA A 35 6.174 -16.673 -0.704 1.00 0.00 N ATOM 495 CA ALA A 35 5.048 -17.329 -1.346 1.00 0.00 C ATOM 496 C ALA A 35 4.977 -16.963 -2.819 1.00 0.00 C ATOM 497 O ALA A 35 5.370 -15.859 -3.206 1.00 0.00 O ATOM 498 CB ALA A 35 3.753 -16.909 -0.668 1.00 0.00 C ATOM 0 H ALA A 35 5.906 -15.929 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 35 5.185 -18.407 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.911 -17.404 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.784 -17.193 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.634 -15.828 -0.748 1.00 0.00 H new ATOM 504 N PRO A 36 4.496 -17.881 -3.667 1.00 0.00 N ATOM 505 CA PRO A 36 4.176 -17.556 -5.049 1.00 0.00 C ATOM 506 C PRO A 36 2.922 -16.693 -5.107 1.00 0.00 C ATOM 507 O PRO A 36 1.837 -17.130 -4.724 1.00 0.00 O ATOM 508 CB PRO A 36 3.927 -18.923 -5.708 1.00 0.00 C ATOM 509 CG PRO A 36 4.377 -19.940 -4.711 1.00 0.00 C ATOM 510 CD PRO A 36 4.239 -19.292 -3.366 1.00 0.00 C ATOM 0 HA PRO A 36 4.965 -16.993 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.873 -19.054 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.484 -19.016 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.769 -20.843 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.409 -20.238 -4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.246 -19.442 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.955 -19.691 -2.648 1.00 0.00 H new ATOM 518 N ILE A 37 3.083 -15.473 -5.578 1.00 0.00 N ATOM 519 CA ILE A 37 2.001 -14.503 -5.610 1.00 0.00 C ATOM 520 C ILE A 37 1.827 -13.990 -7.045 1.00 0.00 C ATOM 521 O ILE A 37 2.767 -14.031 -7.836 1.00 0.00 O ATOM 522 CB ILE A 37 2.302 -13.325 -4.641 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.589 -12.621 -5.063 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.397 -13.799 -3.179 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.228 -11.811 -3.962 1.00 0.00 C ATOM 0 H ILE A 37 3.966 -15.124 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 37 1.076 -14.979 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 37 1.473 -12.620 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.302 -13.367 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.374 -11.965 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.608 -12.947 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.452 -14.254 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.198 -14.532 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.137 -11.341 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.533 -11.041 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.476 -12.465 -3.126 1.00 0.00 H new ATOM 537 N THR A 38 0.623 -13.542 -7.387 1.00 0.00 N ATOM 538 CA THR A 38 0.325 -13.103 -8.750 1.00 0.00 C ATOM 539 C THR A 38 0.492 -11.597 -8.944 1.00 0.00 C ATOM 540 O THR A 38 0.868 -11.149 -10.026 1.00 0.00 O ATOM 541 CB THR A 38 -1.097 -13.510 -9.176 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.042 -13.174 -8.153 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.163 -14.989 -9.477 1.00 0.00 C ATOM 0 H THR A 38 -0.163 -13.473 -6.741 1.00 0.00 H new ATOM 0 HA THR A 38 1.056 -13.607 -9.382 1.00 0.00 H new ATOM 0 HB THR A 38 -1.350 -12.960 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.941 -13.437 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.177 -15.255 -9.776 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.472 -15.227 -10.286 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.888 -15.554 -8.587 1.00 0.00 H new ATOM 551 N GLY A 39 0.216 -10.815 -7.910 1.00 0.00 N ATOM 552 CA GLY A 39 0.304 -9.379 -8.038 1.00 0.00 C ATOM 553 C GLY A 39 0.225 -8.693 -6.701 1.00 0.00 C ATOM 554 O GLY A 39 0.415 -9.336 -5.679 1.00 0.00 O ATOM 0 H GLY A 39 -0.066 -11.150 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.241 -9.114 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.502 -9.021 -8.678 1.00 0.00 H new ATOM 558 N TYR A 40 -0.057 -7.397 -6.710 1.00 0.00 N ATOM 559 CA TYR A 40 -0.285 -6.634 -5.487 1.00 0.00 C ATOM 560 C TYR A 40 -1.393 -5.616 -5.672 1.00 0.00 C ATOM 561 O TYR A 40 -1.445 -4.923 -6.688 1.00 0.00 O ATOM 562 CB TYR A 40 0.973 -5.880 -5.057 1.00 0.00 C ATOM 563 CG TYR A 40 1.913 -6.674 -4.185 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.463 -7.862 -4.624 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.267 -6.217 -2.928 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.338 -8.573 -3.842 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.136 -6.928 -2.136 1.00 0.00 C ATOM 568 CZ TYR A 40 3.668 -8.103 -2.597 1.00 0.00 C ATOM 569 OH TYR A 40 4.547 -8.801 -1.818 1.00 0.00 O ATOM 0 H TYR A 40 -0.134 -6.844 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.565 -7.358 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.510 -5.558 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.675 -4.979 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.200 -8.239 -5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.854 -5.288 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.764 -9.497 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.398 -6.562 -1.154 1.00 0.00 H new ATOM 0 HH TYR A 40 5.446 -8.739 -2.203 1.00 0.00 H new ATOM 579 N ARG A 41 -2.283 -5.538 -4.697 1.00 0.00 N ATOM 580 CA ARG A 41 -3.221 -4.428 -4.617 1.00 0.00 C ATOM 581 C ARG A 41 -2.716 -3.438 -3.602 1.00 0.00 C ATOM 582 O ARG A 41 -2.042 -3.817 -2.662 1.00 0.00 O ATOM 583 CB ARG A 41 -4.586 -4.891 -4.177 1.00 0.00 C ATOM 584 CG ARG A 41 -4.972 -6.234 -4.748 1.00 0.00 C ATOM 585 CD ARG A 41 -5.340 -6.137 -6.217 1.00 0.00 C ATOM 586 NE ARG A 41 -6.457 -5.218 -6.437 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.286 -5.282 -7.478 1.00 0.00 C ATOM 588 NH1 ARG A 41 -7.176 -6.264 -8.364 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.242 -4.373 -7.619 1.00 0.00 N ATOM 0 H ARG A 41 -2.377 -6.227 -3.951 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.302 -3.980 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.610 -4.946 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.327 -4.150 -4.476 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.144 -6.932 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.815 -6.638 -4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.474 -5.800 -6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.604 -7.126 -6.592 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.611 -4.481 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.454 -6.975 -8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.814 -6.308 -9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.341 -3.627 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.877 -4.421 -8.415 1.00 0.00 H new ATOM 603 N ILE A 42 -2.992 -2.176 -3.801 1.00 0.00 N ATOM 604 CA ILE A 42 -2.543 -1.170 -2.845 1.00 0.00 C ATOM 605 C ILE A 42 -3.593 -0.112 -2.589 1.00 0.00 C ATOM 606 O ILE A 42 -3.792 0.758 -3.416 1.00 0.00 O ATOM 607 CB ILE A 42 -1.255 -0.497 -3.349 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.254 -1.561 -3.775 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.659 0.393 -2.267 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.903 -1.029 -4.567 1.00 0.00 C ATOM 0 H ILE A 42 -3.515 -1.814 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.353 -1.687 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.495 0.129 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.128 -2.062 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.771 -2.315 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.252 0.861 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.378 1.165 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.423 -0.209 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.570 -1.849 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.534 -0.553 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.447 -0.297 -3.970 1.00 0.00 H new ATOM 622 N VAL A 43 -4.204 -0.144 -1.411 1.00 0.00 N ATOM 623 CA VAL A 43 -5.253 0.815 -1.077 1.00 0.00 C ATOM 624 C VAL A 43 -4.768 1.805 -0.032 1.00 0.00 C ATOM 625 O VAL A 43 -4.550 1.452 1.121 1.00 0.00 O ATOM 626 CB VAL A 43 -6.539 0.130 -0.561 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.550 1.160 -0.101 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.146 -0.758 -1.631 1.00 0.00 C ATOM 0 H VAL A 43 -3.994 -0.818 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.493 1.338 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.266 -0.493 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.447 0.655 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.122 1.755 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.810 1.812 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.050 -1.229 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.396 -0.156 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.429 -1.528 -1.915 1.00 0.00 H new ATOM 638 N TYR A 44 -4.599 3.040 -0.446 1.00 0.00 N ATOM 639 CA TYR A 44 -4.175 4.099 0.443 1.00 0.00 C ATOM 640 C TYR A 44 -5.265 5.132 0.580 1.00 0.00 C ATOM 641 O TYR A 44 -5.827 5.611 -0.418 1.00 0.00 O ATOM 642 CB TYR A 44 -2.857 4.725 -0.028 1.00 0.00 C ATOM 643 CG TYR A 44 -2.702 4.802 -1.530 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.397 3.664 -2.266 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.849 6.002 -2.210 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.246 3.712 -3.631 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.696 6.063 -3.579 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.397 4.917 -4.286 1.00 0.00 C ATOM 649 OH TYR A 44 -2.243 4.985 -5.647 1.00 0.00 O ATOM 0 H TYR A 44 -4.752 3.339 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.990 3.671 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.779 5.731 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.028 4.147 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.276 2.721 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.086 6.901 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.011 2.815 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.810 7.005 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.384 5.907 -5.947 1.00 0.00 H new ATOM 659 N SER A 45 -5.573 5.427 1.830 1.00 0.00 N ATOM 660 CA SER A 45 -6.687 6.308 2.167 1.00 0.00 C ATOM 661 C SER A 45 -6.372 7.196 3.373 1.00 0.00 C ATOM 662 O SER A 45 -5.684 6.773 4.296 1.00 0.00 O ATOM 663 CB SER A 45 -7.926 5.460 2.461 1.00 0.00 C ATOM 664 OG SER A 45 -7.647 4.455 3.422 1.00 0.00 O ATOM 0 H SER A 45 -5.065 5.068 2.638 1.00 0.00 H new ATOM 0 HA SER A 45 -6.868 6.964 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.730 6.100 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.279 4.997 1.540 1.00 0.00 H new ATOM 0 HG SER A 45 -8.457 3.930 3.591 1.00 0.00 H new ATOM 670 N PRO A 46 -6.881 8.443 3.378 1.00 0.00 N ATOM 671 CA PRO A 46 -6.736 9.373 4.497 1.00 0.00 C ATOM 672 C PRO A 46 -7.757 9.083 5.589 1.00 0.00 C ATOM 673 O PRO A 46 -8.826 8.532 5.322 1.00 0.00 O ATOM 674 CB PRO A 46 -7.025 10.738 3.874 1.00 0.00 C ATOM 675 CG PRO A 46 -7.352 10.498 2.437 1.00 0.00 C ATOM 676 CD PRO A 46 -7.679 9.044 2.309 1.00 0.00 C ATOM 0 HA PRO A 46 -5.754 9.304 4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.856 11.227 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.162 11.396 3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.195 11.114 2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.509 10.763 1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.744 8.855 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.406 8.652 1.329 1.00 0.00 H new ATOM 744 N SER A 52 -8.549 8.506 -1.986 1.00 0.00 N ATOM 745 CA SER A 52 -8.085 7.140 -1.808 1.00 0.00 C ATOM 746 C SER A 52 -7.754 6.531 -3.156 1.00 0.00 C ATOM 747 O SER A 52 -8.393 6.858 -4.156 1.00 0.00 O ATOM 748 CB SER A 52 -9.148 6.307 -1.093 1.00 0.00 C ATOM 749 OG SER A 52 -9.610 6.973 0.074 1.00 0.00 O ATOM 0 HA SER A 52 -7.185 7.148 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.985 6.121 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.734 5.335 -0.823 1.00 0.00 H new ATOM 0 HG SER A 52 -9.476 7.939 -0.026 1.00 0.00 H new ATOM 755 N THR A 53 -6.762 5.668 -3.209 1.00 0.00 N ATOM 756 CA THR A 53 -6.440 5.016 -4.471 1.00 0.00 C ATOM 757 C THR A 53 -5.923 3.594 -4.252 1.00 0.00 C ATOM 758 O THR A 53 -5.316 3.298 -3.224 1.00 0.00 O ATOM 759 CB THR A 53 -5.405 5.839 -5.269 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.822 7.210 -5.353 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.228 5.286 -6.674 1.00 0.00 C ATOM 0 H THR A 53 -6.175 5.403 -2.418 1.00 0.00 H new ATOM 0 HA THR A 53 -7.362 4.957 -5.049 1.00 0.00 H new ATOM 0 HB THR A 53 -4.452 5.773 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.158 7.723 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.494 5.886 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.882 4.254 -6.618 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.181 5.321 -7.202 1.00 0.00 H new ATOM 769 N GLU A 54 -6.212 2.717 -5.210 1.00 0.00 N ATOM 770 CA GLU A 54 -5.667 1.376 -5.234 1.00 0.00 C ATOM 771 C GLU A 54 -4.785 1.195 -6.462 1.00 0.00 C ATOM 772 O GLU A 54 -5.256 1.318 -7.595 1.00 0.00 O ATOM 773 CB GLU A 54 -6.782 0.324 -5.242 1.00 0.00 C ATOM 774 CG GLU A 54 -6.257 -1.105 -5.317 1.00 0.00 C ATOM 775 CD GLU A 54 -7.355 -2.145 -5.398 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.310 -1.952 -6.175 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.255 -3.181 -4.714 1.00 0.00 O ATOM 0 H GLU A 54 -6.834 2.924 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.072 1.238 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.385 0.436 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.440 0.508 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.610 -1.201 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.641 -1.305 -4.440 1.00 0.00 H new ATOM 784 N LEU A 55 -3.507 0.928 -6.245 1.00 0.00 N ATOM 785 CA LEU A 55 -2.616 0.615 -7.353 1.00 0.00 C ATOM 786 C LEU A 55 -2.449 -0.886 -7.478 1.00 0.00 C ATOM 787 O LEU A 55 -2.705 -1.629 -6.529 1.00 0.00 O ATOM 788 CB LEU A 55 -1.250 1.328 -7.238 1.00 0.00 C ATOM 789 CG LEU A 55 -1.330 2.843 -7.416 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.045 3.451 -7.625 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.252 3.213 -8.569 1.00 0.00 C ATOM 0 H LEU A 55 -3.067 0.921 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.078 0.995 -8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.817 1.108 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.572 0.919 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.746 3.254 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.049 4.530 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.672 3.238 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.501 3.022 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.289 4.298 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.874 2.774 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.254 2.833 -8.370 1.00 0.00 H new ATOM 803 N ASN A 56 -2.082 -1.328 -8.666 1.00 0.00 N ATOM 804 CA ASN A 56 -1.861 -2.737 -8.921 1.00 0.00 C ATOM 805 C ASN A 56 -0.429 -2.943 -9.376 1.00 0.00 C ATOM 806 O ASN A 56 -0.039 -2.475 -10.445 1.00 0.00 O ATOM 807 CB ASN A 56 -2.829 -3.247 -9.991 1.00 0.00 C ATOM 808 CG ASN A 56 -2.810 -4.759 -10.117 1.00 0.00 C ATOM 809 OD1 ASN A 56 -2.015 -5.329 -10.866 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.704 -5.418 -9.400 1.00 0.00 N ATOM 0 H ASN A 56 -1.930 -0.725 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.038 -3.298 -8.003 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.840 -2.918 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.571 -2.802 -10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.753 -6.435 -9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.345 -4.909 -8.791 1.00 0.00 H new ATOM 817 N LEU A 57 0.354 -3.630 -8.569 1.00 0.00 N ATOM 818 CA LEU A 57 1.757 -3.804 -8.862 1.00 0.00 C ATOM 819 C LEU A 57 2.017 -5.253 -9.205 1.00 0.00 C ATOM 820 O LEU A 57 1.214 -6.125 -8.883 1.00 0.00 O ATOM 821 CB LEU A 57 2.639 -3.354 -7.681 1.00 0.00 C ATOM 822 CG LEU A 57 2.715 -1.849 -7.431 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.073 -1.481 -6.878 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.433 -1.056 -8.686 1.00 0.00 C ATOM 0 H LEU A 57 0.040 -4.075 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 57 2.018 -3.177 -9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.269 -3.834 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.650 -3.725 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 57 1.946 -1.597 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.116 -0.406 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.238 -2.008 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.846 -1.764 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.497 0.009 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.166 -1.313 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.432 -1.292 -9.048 1.00 0.00 H new ATOM 836 N PRO A 58 3.101 -5.526 -9.923 1.00 0.00 N ATOM 837 CA PRO A 58 3.492 -6.890 -10.228 1.00 0.00 C ATOM 838 C PRO A 58 3.912 -7.646 -8.971 1.00 0.00 C ATOM 839 O PRO A 58 4.375 -7.058 -7.996 1.00 0.00 O ATOM 840 CB PRO A 58 4.671 -6.736 -11.194 1.00 0.00 C ATOM 841 CG PRO A 58 5.166 -5.343 -11.010 1.00 0.00 C ATOM 842 CD PRO A 58 4.004 -4.527 -10.517 1.00 0.00 C ATOM 0 HA PRO A 58 2.671 -7.467 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.454 -7.462 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.358 -6.907 -12.224 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.987 -5.317 -10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.548 -4.942 -11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.319 -3.785 -9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.522 -3.985 -11.331 1.00 0.00 H new ATOM 850 N GLU A 59 3.695 -8.954 -9.019 1.00 0.00 N ATOM 851 CA GLU A 59 4.073 -9.901 -7.957 1.00 0.00 C ATOM 852 C GLU A 59 5.469 -9.646 -7.384 1.00 0.00 C ATOM 853 O GLU A 59 5.747 -9.984 -6.234 1.00 0.00 O ATOM 854 CB GLU A 59 4.048 -11.320 -8.524 1.00 0.00 C ATOM 855 CG GLU A 59 4.967 -11.494 -9.725 1.00 0.00 C ATOM 856 CD GLU A 59 5.174 -12.940 -10.115 1.00 0.00 C ATOM 857 OE1 GLU A 59 6.117 -13.573 -9.585 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.418 -13.443 -10.968 1.00 0.00 O ATOM 0 H GLU A 59 3.241 -9.405 -9.813 1.00 0.00 H new ATOM 0 HA GLU A 59 3.354 -9.767 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.341 -12.023 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.028 -11.572 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.550 -10.952 -10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.934 -11.043 -9.502 1.00 0.00 H new ATOM 865 N THR A 60 6.337 -9.071 -8.194 1.00 0.00 N ATOM 866 CA THR A 60 7.735 -8.906 -7.836 1.00 0.00 C ATOM 867 C THR A 60 8.041 -7.455 -7.448 1.00 0.00 C ATOM 868 O THR A 60 9.183 -7.101 -7.159 1.00 0.00 O ATOM 869 CB THR A 60 8.645 -9.366 -9.004 1.00 0.00 C ATOM 870 OG1 THR A 60 10.030 -9.148 -8.700 1.00 0.00 O ATOM 871 CG2 THR A 60 8.280 -8.648 -10.294 1.00 0.00 C ATOM 0 H THR A 60 6.096 -8.706 -9.115 1.00 0.00 H new ATOM 0 HA THR A 60 7.940 -9.531 -6.966 1.00 0.00 H new ATOM 0 HB THR A 60 8.484 -10.435 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.113 -8.406 -8.065 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.933 -8.989 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.244 -8.867 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.401 -7.573 -10.159 1.00 0.00 H new ATOM 879 N ALA A 61 7.009 -6.621 -7.397 1.00 0.00 N ATOM 880 CA ALA A 61 7.194 -5.216 -7.064 1.00 0.00 C ATOM 881 C ALA A 61 7.448 -5.064 -5.578 1.00 0.00 C ATOM 882 O ALA A 61 7.003 -5.892 -4.785 1.00 0.00 O ATOM 883 CB ALA A 61 5.978 -4.404 -7.469 1.00 0.00 C ATOM 0 H ALA A 61 6.043 -6.892 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 61 8.057 -4.842 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.137 -3.357 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.822 -4.493 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.099 -4.778 -6.943 1.00 0.00 H new ATOM 889 N ASN A 62 8.163 -4.018 -5.197 1.00 0.00 N ATOM 890 CA ASN A 62 8.488 -3.809 -3.797 1.00 0.00 C ATOM 891 C ASN A 62 8.286 -2.362 -3.380 1.00 0.00 C ATOM 892 O ASN A 62 8.781 -1.955 -2.337 1.00 0.00 O ATOM 893 CB ASN A 62 9.933 -4.226 -3.498 1.00 0.00 C ATOM 894 CG ASN A 62 10.974 -3.319 -4.136 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.771 -2.778 -5.223 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.098 -3.148 -3.457 1.00 0.00 N ATOM 0 H ASN A 62 8.526 -3.307 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 62 7.806 -4.434 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.084 -4.235 -2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.088 -5.246 -3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.834 -2.550 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.227 -3.614 -2.559 1.00 0.00 H new ATOM 903 N SER A 63 7.561 -1.584 -4.173 1.00 0.00 N ATOM 904 CA SER A 63 7.356 -0.183 -3.838 1.00 0.00 C ATOM 905 C SER A 63 6.309 0.474 -4.734 1.00 0.00 C ATOM 906 O SER A 63 6.307 0.272 -5.946 1.00 0.00 O ATOM 907 CB SER A 63 8.683 0.572 -3.950 1.00 0.00 C ATOM 908 OG SER A 63 9.326 0.304 -5.188 1.00 0.00 O ATOM 0 H SER A 63 7.113 -1.892 -5.036 1.00 0.00 H new ATOM 0 HA SER A 63 6.986 -0.138 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.504 1.643 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.338 0.284 -3.128 1.00 0.00 H new ATOM 0 HG SER A 63 10.170 0.801 -5.233 1.00 0.00 H new ATOM 914 N VAL A 64 5.431 1.269 -4.131 1.00 0.00 N ATOM 915 CA VAL A 64 4.428 2.018 -4.882 1.00 0.00 C ATOM 916 C VAL A 64 4.604 3.518 -4.653 1.00 0.00 C ATOM 917 O VAL A 64 4.889 3.957 -3.528 1.00 0.00 O ATOM 918 CB VAL A 64 2.976 1.626 -4.508 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.751 1.711 -3.024 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.991 2.493 -5.234 1.00 0.00 C ATOM 0 H VAL A 64 5.393 1.412 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 64 4.584 1.768 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 64 2.824 0.591 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.723 1.430 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.435 1.033 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.932 2.732 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.977 2.202 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.156 3.536 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.123 2.372 -6.309 1.00 0.00 H new ATOM 930 N THR A 65 4.470 4.289 -5.727 1.00 0.00 N ATOM 931 CA THR A 65 4.398 5.721 -5.641 1.00 0.00 C ATOM 932 C THR A 65 2.936 6.168 -5.698 1.00 0.00 C ATOM 933 O THR A 65 2.313 6.188 -6.761 1.00 0.00 O ATOM 934 CB THR A 65 5.189 6.336 -6.797 1.00 0.00 C ATOM 935 OG1 THR A 65 6.585 6.035 -6.641 1.00 0.00 O ATOM 936 CG2 THR A 65 4.981 7.846 -6.890 1.00 0.00 C ATOM 0 H THR A 65 4.409 3.926 -6.678 1.00 0.00 H new ATOM 0 HA THR A 65 4.828 6.056 -4.697 1.00 0.00 H new ATOM 0 HB THR A 65 4.821 5.900 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.089 6.428 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.560 8.242 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.924 8.059 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.310 8.316 -5.963 1.00 0.00 H new ATOM 944 N LEU A 66 2.396 6.485 -4.540 1.00 0.00 N ATOM 945 CA LEU A 66 1.027 6.954 -4.411 1.00 0.00 C ATOM 946 C LEU A 66 0.962 8.421 -4.771 1.00 0.00 C ATOM 947 O LEU A 66 1.888 9.173 -4.458 1.00 0.00 O ATOM 948 CB LEU A 66 0.526 6.800 -2.984 1.00 0.00 C ATOM 949 CG LEU A 66 1.304 5.835 -2.111 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.019 6.111 -0.663 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.941 4.411 -2.466 1.00 0.00 C ATOM 0 H LEU A 66 2.896 6.425 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 66 0.405 6.358 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.537 7.780 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.513 6.473 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 66 2.371 5.973 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.581 5.414 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.315 7.132 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.047 5.988 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.504 3.724 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.126 4.257 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.183 4.224 -3.512 1.00 0.00 H new ATOM 963 N SER A 67 -0.136 8.830 -5.381 1.00 0.00 N ATOM 964 CA SER A 67 -0.291 10.200 -5.815 1.00 0.00 C ATOM 965 C SER A 67 -1.714 10.668 -5.521 1.00 0.00 C ATOM 966 O SER A 67 -2.525 9.894 -5.007 1.00 0.00 O ATOM 967 CB SER A 67 0.046 10.313 -7.308 1.00 0.00 C ATOM 968 OG SER A 67 0.113 11.667 -7.726 1.00 0.00 O ATOM 0 H SER A 67 -0.934 8.228 -5.586 1.00 0.00 H new ATOM 0 HA SER A 67 0.397 10.845 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.000 9.823 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.709 9.788 -7.893 1.00 0.00 H new ATOM 0 HG SER A 67 0.331 11.704 -8.681 1.00 0.00 H new ATOM 974 N ASP A 68 -1.998 11.933 -5.828 1.00 0.00 N ATOM 975 CA ASP A 68 -3.310 12.537 -5.567 1.00 0.00 C ATOM 976 C ASP A 68 -3.606 12.635 -4.076 1.00 0.00 C ATOM 977 O ASP A 68 -4.763 12.752 -3.681 1.00 0.00 O ATOM 978 CB ASP A 68 -4.441 11.761 -6.252 1.00 0.00 C ATOM 979 CG ASP A 68 -4.760 12.279 -7.636 1.00 0.00 C ATOM 980 OD1 ASP A 68 -5.409 13.343 -7.741 1.00 0.00 O ATOM 981 OD2 ASP A 68 -4.383 11.620 -8.628 1.00 0.00 O ATOM 0 H ASP A 68 -1.330 12.569 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.265 13.543 -5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.164 10.709 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.337 11.815 -5.634 1.00 0.00 H new ATOM 986 N LEU A 69 -2.573 12.594 -3.245 1.00 0.00 N ATOM 987 CA LEU A 69 -2.767 12.712 -1.803 1.00 0.00 C ATOM 988 C LEU A 69 -3.140 14.143 -1.434 1.00 0.00 C ATOM 989 O LEU A 69 -3.340 14.992 -2.300 1.00 0.00 O ATOM 990 CB LEU A 69 -1.524 12.309 -1.003 1.00 0.00 C ATOM 991 CG LEU A 69 -0.778 11.072 -1.460 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.381 10.816 -0.527 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.712 9.886 -1.458 1.00 0.00 C ATOM 0 H LEU A 69 -1.603 12.481 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.574 12.026 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.828 13.147 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.824 12.159 0.034 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.401 11.224 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.920 9.927 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.054 11.673 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.006 10.663 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.173 8.998 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.094 9.726 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.544 10.077 -2.136 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.254 14.399 -0.145 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.572 15.725 0.343 1.00 0.00 C ATOM 1007 C GLN A 70 -2.551 16.117 1.407 1.00 0.00 C ATOM 1008 O GLN A 70 -2.278 15.335 2.316 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.994 15.739 0.913 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.486 17.117 1.333 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.595 18.080 0.167 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.833 17.676 -0.972 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.431 19.361 0.443 1.00 0.00 N ATOM 0 H GLN A 70 -3.130 13.700 0.587 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.528 16.448 -0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.677 15.334 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.034 15.073 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.461 17.020 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.805 17.530 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.235 19.656 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.500 20.056 -0.301 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.935 17.305 1.276 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.913 17.784 2.218 1.00 0.00 C ATOM 1024 C PRO A 71 -1.429 17.935 3.647 1.00 0.00 C ATOM 1025 O PRO A 71 -2.514 18.473 3.873 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.506 19.146 1.658 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.599 19.542 0.727 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.171 18.266 0.186 1.00 0.00 C ATOM 0 HA PRO A 71 -0.091 17.072 2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.388 19.878 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.449 19.085 1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.362 20.121 1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.216 20.169 -0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.232 18.365 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.675 17.961 -0.735 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.641 17.450 4.603 1.00 0.00 N ATOM 1037 CA GLY A 72 -0.989 17.576 6.003 1.00 0.00 C ATOM 1038 C GLY A 72 -1.999 16.538 6.442 1.00 0.00 C ATOM 1039 O GLY A 72 -2.864 16.817 7.271 1.00 0.00 O ATOM 0 H GLY A 72 0.240 16.968 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.088 17.481 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.392 18.572 6.186 1.00 0.00 H new ATOM 1043 N VAL A 73 -1.892 15.337 5.890 1.00 0.00 N ATOM 1044 CA VAL A 73 -2.866 14.289 6.158 1.00 0.00 C ATOM 1045 C VAL A 73 -2.185 12.959 6.454 1.00 0.00 C ATOM 1046 O VAL A 73 -1.096 12.678 5.953 1.00 0.00 O ATOM 1047 CB VAL A 73 -3.818 14.113 4.959 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -4.899 13.110 5.244 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.477 15.410 4.574 1.00 0.00 C ATOM 0 H VAL A 73 -1.142 15.065 5.255 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.436 14.595 7.036 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.195 13.758 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.548 13.017 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.448 12.143 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.487 13.442 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.140 15.243 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.055 15.789 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.714 16.139 4.301 1.00 0.00 H new ATOM 1059 N GLN A 74 -2.845 12.145 7.266 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.350 10.844 7.631 1.00 0.00 C ATOM 1061 C GLN A 74 -2.878 9.809 6.646 1.00 0.00 C ATOM 1062 O GLN A 74 -4.058 9.450 6.674 1.00 0.00 O ATOM 1063 CB GLN A 74 -2.824 10.526 9.038 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.454 9.130 9.511 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.069 9.065 10.127 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -0.049 8.878 9.301 1.00 0.00 O flip ATOM 1067 NE2 GLN A 74 -0.911 9.200 11.339 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.744 12.379 7.688 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.261 10.828 7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.401 11.257 9.727 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.907 10.638 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.188 8.793 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.504 8.441 8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.718 9.342 11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.027 9.170 11.737 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.011 9.360 5.763 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.385 8.405 4.742 1.00 0.00 C ATOM 1078 C TYR A 75 -2.029 6.986 5.141 1.00 0.00 C ATOM 1079 O TYR A 75 -0.869 6.673 5.406 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.730 8.770 3.412 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.615 9.660 2.572 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.636 11.036 2.755 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.461 9.113 1.617 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.470 11.841 2.004 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.301 9.910 0.867 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.302 11.273 1.063 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.150 12.070 0.324 1.00 0.00 O ATOM 0 H TYR A 75 -1.032 9.645 5.733 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.468 8.448 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.783 9.275 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.501 7.859 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.990 11.484 3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.462 8.045 1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.470 12.911 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.954 9.467 0.130 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.667 11.513 -0.295 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.042 6.140 5.193 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.859 4.735 5.495 1.00 0.00 C ATOM 1099 C ASN A 76 -2.680 3.963 4.200 1.00 0.00 C ATOM 1100 O ASN A 76 -3.611 3.876 3.386 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.061 4.169 6.266 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.376 4.937 7.540 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.504 5.555 8.147 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -5.627 4.885 7.965 1.00 0.00 N ATOM 0 H ASN A 76 -4.012 6.408 5.027 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.973 4.631 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.937 4.180 5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.864 3.127 6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.895 5.368 8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.324 4.362 7.435 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.478 3.446 3.994 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.176 2.628 2.831 1.00 0.00 C ATOM 1113 C ILE A 77 -1.332 1.167 3.174 1.00 0.00 C ATOM 1114 O ILE A 77 -0.642 0.643 4.049 1.00 0.00 O ATOM 1115 CB ILE A 77 0.257 2.852 2.303 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.481 4.288 1.869 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.574 1.933 1.137 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.945 5.215 2.971 1.00 0.00 C ATOM 0 H ILE A 77 -0.688 3.581 4.625 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.878 2.924 2.052 1.00 0.00 H new ATOM 0 HB ILE A 77 0.924 2.623 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.219 4.300 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.448 4.677 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.591 2.120 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.484 0.895 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.126 2.123 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.079 6.219 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.199 5.238 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.892 4.856 3.374 1.00 0.00 H new ATOM 1130 N THR A 78 -2.243 0.524 2.490 1.00 0.00 N ATOM 1131 CA THR A 78 -2.502 -0.861 2.705 1.00 0.00 C ATOM 1132 C THR A 78 -1.979 -1.694 1.535 1.00 0.00 C ATOM 1133 O THR A 78 -2.461 -1.558 0.405 1.00 0.00 O ATOM 1134 CB THR A 78 -4.002 -1.081 2.875 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.514 -0.203 3.889 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.298 -2.521 3.253 1.00 0.00 C ATOM 0 H THR A 78 -2.823 0.954 1.769 1.00 0.00 H new ATOM 0 HA THR A 78 -1.985 -1.179 3.611 1.00 0.00 H new ATOM 0 HB THR A 78 -4.488 -0.864 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.478 -0.348 3.992 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.374 -2.653 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.933 -3.185 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.800 -2.760 4.193 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.990 -2.545 1.806 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.424 -3.399 0.754 1.00 0.00 C ATOM 1146 C ILE A 79 -1.087 -4.773 0.796 1.00 0.00 C ATOM 1147 O ILE A 79 -1.301 -5.337 1.867 1.00 0.00 O ATOM 1148 CB ILE A 79 1.116 -3.622 0.848 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.931 -2.354 1.049 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.627 -4.275 -0.406 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.560 -1.206 0.150 1.00 0.00 C ATOM 0 H ILE A 79 -0.568 -2.663 2.727 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.618 -2.865 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 79 1.246 -4.250 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.824 -2.033 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.984 -2.590 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.704 -4.424 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.136 -5.239 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.412 -3.636 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.198 -0.350 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.695 -1.500 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.518 -0.935 0.318 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.406 -5.299 -0.368 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.012 -6.609 -0.492 1.00 0.00 C ATOM 1165 C TYR A 80 -1.197 -7.474 -1.449 1.00 0.00 C ATOM 1166 O TYR A 80 -1.172 -7.202 -2.653 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.427 -6.494 -1.065 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.381 -5.610 -0.294 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.178 -6.146 0.709 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.520 -4.252 -0.591 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -6.081 -5.365 1.398 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.419 -3.465 0.102 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.199 -4.028 1.093 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.108 -3.252 1.778 1.00 0.00 O ATOM 0 H TYR A 80 -1.252 -4.828 -1.259 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.043 -7.056 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.356 -6.116 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.856 -7.494 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.089 -7.194 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.917 -3.812 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.693 -5.800 2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.512 -2.414 -0.130 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.068 -2.331 1.445 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.548 -8.507 -0.931 1.00 0.00 N ATOM 1185 CA ALA A 81 0.108 -9.490 -1.786 1.00 0.00 C ATOM 1186 C ALA A 81 -0.946 -10.454 -2.303 1.00 0.00 C ATOM 1187 O ALA A 81 -1.536 -11.207 -1.528 1.00 0.00 O ATOM 1188 CB ALA A 81 1.202 -10.242 -1.029 1.00 0.00 C ATOM 0 H ALA A 81 -0.461 -8.687 0.069 1.00 0.00 H new ATOM 0 HA ALA A 81 0.590 -8.980 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.672 -10.967 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.952 -9.534 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.764 -10.762 -0.177 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.210 -10.417 -3.596 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.288 -11.241 -4.145 1.00 0.00 C ATOM 1196 C VAL A 82 -1.731 -12.453 -4.865 1.00 0.00 C ATOM 1197 O VAL A 82 -0.750 -12.354 -5.594 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.253 -10.458 -5.084 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.550 -9.893 -6.293 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.400 -11.343 -5.538 1.00 0.00 C ATOM 0 H VAL A 82 -0.712 -9.843 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.879 -11.565 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.641 -9.623 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.268 -9.357 -6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.766 -9.208 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.107 -10.705 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.061 -10.775 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.004 -12.202 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.960 -11.688 -4.669 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.355 -13.594 -4.623 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.997 -14.846 -5.248 1.00 0.00 C ATOM 1212 C GLU A 83 -3.186 -15.329 -6.072 1.00 0.00 C ATOM 1213 O GLU A 83 -4.281 -14.785 -5.932 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.645 -15.860 -4.171 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.295 -17.235 -4.699 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.895 -18.344 -3.867 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.052 -18.727 -4.144 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.224 -18.839 -2.944 1.00 0.00 O ATOM 0 H GLU A 83 -3.138 -13.672 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.133 -14.719 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.802 -15.481 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.487 -15.951 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.646 -17.326 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.211 -17.347 -4.721 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.972 -16.316 -6.930 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.037 -16.895 -7.749 1.00 0.00 C ATOM 1227 C GLU A 84 -5.322 -17.140 -6.947 1.00 0.00 C ATOM 1228 O GLU A 84 -6.413 -16.746 -7.372 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.563 -18.222 -8.340 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.203 -18.142 -9.007 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.716 -19.487 -9.494 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.193 -20.261 -8.669 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.850 -19.777 -10.701 1.00 0.00 O ATOM 0 H GLU A 84 -2.057 -16.741 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.265 -16.178 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.526 -18.970 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.296 -18.567 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.255 -17.452 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.480 -17.731 -8.302 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.189 -17.764 -5.783 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.356 -18.232 -5.041 1.00 0.00 C ATOM 1242 C ASN A 85 -6.770 -17.276 -3.928 1.00 0.00 C ATOM 1243 O ASN A 85 -7.960 -17.128 -3.648 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.080 -19.611 -4.429 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.578 -20.620 -5.442 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -6.360 -21.322 -6.083 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -4.264 -20.702 -5.590 1.00 0.00 N ATOM 0 H ASN A 85 -4.294 -17.957 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.174 -18.288 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.344 -19.508 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.994 -19.989 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.866 -21.365 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.650 -20.102 -5.039 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.805 -16.614 -3.304 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.075 -15.885 -2.069 1.00 0.00 C ATOM 1256 C GLN A 86 -5.235 -14.631 -1.970 1.00 0.00 C ATOM 1257 O GLN A 86 -4.307 -14.435 -2.740 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.779 -16.763 -0.851 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.842 -17.808 -0.562 1.00 0.00 C ATOM 1260 CD GLN A 86 -8.138 -17.190 -0.081 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -9.028 -16.880 -0.873 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -8.246 -16.995 1.222 1.00 0.00 N ATOM 0 H GLN A 86 -4.839 -16.566 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.129 -15.609 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.824 -17.266 -1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.667 -16.124 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.032 -18.389 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.471 -18.502 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.484 -17.267 1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.091 -16.573 1.606 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.562 -13.801 -1.001 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.788 -12.606 -0.720 1.00 0.00 C ATOM 1273 C GLU A 87 -4.154 -12.731 0.651 1.00 0.00 C ATOM 1274 O GLU A 87 -4.728 -13.340 1.557 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.672 -11.362 -0.769 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.323 -11.127 -2.119 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.111 -9.840 -2.160 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.225 -9.802 -1.592 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -6.628 -8.861 -2.760 1.00 0.00 O ATOM 0 H GLU A 87 -6.367 -13.933 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.012 -12.504 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.450 -11.451 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.072 -10.490 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.554 -11.104 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.984 -11.962 -2.351 1.00 0.00 H new ATOM 1286 N SER A 88 -2.967 -12.182 0.796 1.00 0.00 N ATOM 1287 CA SER A 88 -2.266 -12.207 2.064 1.00 0.00 C ATOM 1288 C SER A 88 -2.861 -11.191 3.029 1.00 0.00 C ATOM 1289 O SER A 88 -3.694 -10.367 2.641 1.00 0.00 O ATOM 1290 CB SER A 88 -0.789 -11.908 1.834 1.00 0.00 C ATOM 1291 OG SER A 88 -0.248 -12.772 0.850 1.00 0.00 O ATOM 0 H SER A 88 -2.463 -11.709 0.046 1.00 0.00 H new ATOM 0 HA SER A 88 -2.372 -13.198 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.668 -10.871 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.240 -12.025 2.768 1.00 0.00 H new ATOM 0 HG SER A 88 -0.542 -12.481 -0.038 1.00 0.00 H new ATOM 1297 N THR A 89 -2.445 -11.265 4.284 1.00 0.00 N ATOM 1298 CA THR A 89 -2.832 -10.279 5.276 1.00 0.00 C ATOM 1299 C THR A 89 -2.386 -8.886 4.833 1.00 0.00 C ATOM 1300 O THR A 89 -1.370 -8.731 4.157 1.00 0.00 O ATOM 1301 CB THR A 89 -2.237 -10.625 6.653 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.907 -11.143 6.503 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.104 -11.645 7.377 1.00 0.00 C ATOM 0 H THR A 89 -1.836 -12.002 4.639 1.00 0.00 H new ATOM 0 HA THR A 89 -3.918 -10.287 5.367 1.00 0.00 H new ATOM 0 HB THR A 89 -2.204 -9.711 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.538 -11.358 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.663 -11.874 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.104 -11.236 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.166 -12.557 6.783 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.163 -7.858 5.162 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.895 -6.505 4.697 1.00 0.00 C ATOM 1313 C PRO A 90 -1.781 -5.793 5.466 1.00 0.00 C ATOM 1314 O PRO A 90 -1.686 -5.878 6.694 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.230 -5.798 4.925 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.842 -6.511 6.081 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.377 -7.933 5.993 1.00 0.00 C ATOM 0 HA PRO A 90 -2.545 -6.504 3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.086 -4.740 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.866 -5.857 4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.534 -6.059 7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.930 -6.455 6.041 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.161 -8.345 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.133 -8.573 5.539 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.955 -5.082 4.716 1.00 0.00 N ATOM 1326 CA VAL A 91 -0.006 -4.133 5.267 1.00 0.00 C ATOM 1327 C VAL A 91 -0.735 -2.844 5.539 1.00 0.00 C ATOM 1328 O VAL A 91 -1.369 -2.328 4.634 1.00 0.00 O ATOM 1329 CB VAL A 91 1.079 -3.774 4.247 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.741 -2.466 4.643 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.110 -4.873 4.103 1.00 0.00 C ATOM 0 H VAL A 91 -0.925 -5.149 3.699 1.00 0.00 H new ATOM 0 HA VAL A 91 0.436 -4.582 6.157 1.00 0.00 H new ATOM 0 HB VAL A 91 0.601 -3.658 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.512 -2.214 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.993 -1.673 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.193 -2.571 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.859 -4.575 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.593 -5.048 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.621 -5.789 3.771 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.661 -2.318 6.744 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.170 -0.983 6.978 1.00 0.00 C ATOM 1343 C VAL A 92 -0.074 -0.106 7.563 1.00 0.00 C ATOM 1344 O VAL A 92 0.291 -0.239 8.732 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.398 -0.967 7.909 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -3.027 0.416 7.907 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.418 -2.017 7.489 1.00 0.00 C ATOM 0 H VAL A 92 -0.263 -2.782 7.560 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.491 -0.592 6.013 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.069 -1.208 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.895 0.422 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.299 1.147 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.339 0.672 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.274 -1.983 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.750 -1.815 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.961 -3.006 7.532 1.00 0.00 H new ATOM 1357 N ILE A 93 0.447 0.785 6.736 1.00 0.00 N ATOM 1358 CA ILE A 93 1.483 1.716 7.151 1.00 0.00 C ATOM 1359 C ILE A 93 0.995 3.145 6.975 1.00 0.00 C ATOM 1360 O ILE A 93 0.715 3.585 5.862 1.00 0.00 O ATOM 1361 CB ILE A 93 2.795 1.509 6.361 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.510 1.335 4.873 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.555 0.309 6.903 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.716 1.589 4.015 1.00 0.00 C ATOM 0 H ILE A 93 0.165 0.883 5.761 1.00 0.00 H new ATOM 0 HA ILE A 93 1.696 1.525 8.203 1.00 0.00 H new ATOM 0 HB ILE A 93 3.414 2.398 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.149 0.322 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.711 2.016 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.477 0.176 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.795 0.475 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.939 -0.585 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.452 1.450 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.064 2.610 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.508 0.891 4.285 1.00 0.00 H new ATOM 1376 N GLN A 94 0.864 3.861 8.075 1.00 0.00 N ATOM 1377 CA GLN A 94 0.326 5.209 8.031 1.00 0.00 C ATOM 1378 C GLN A 94 1.436 6.251 8.067 1.00 0.00 C ATOM 1379 O GLN A 94 2.286 6.249 8.958 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.672 5.422 9.171 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.127 5.113 10.552 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.207 5.149 11.613 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.480 6.191 12.210 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.828 4.007 11.857 1.00 0.00 N ATOM 0 H GLN A 94 1.121 3.535 9.007 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.203 5.333 7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.010 6.458 9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.547 4.797 8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.340 4.128 10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.651 5.833 10.803 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.571 3.166 11.340 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.564 3.967 12.562 1.00 0.00 H new ATOM 1393 N GLN A 95 1.427 7.126 7.074 1.00 0.00 N ATOM 1394 CA GLN A 95 2.401 8.200 6.974 1.00 0.00 C ATOM 1395 C GLN A 95 1.699 9.535 6.774 1.00 0.00 C ATOM 1396 O GLN A 95 0.826 9.652 5.922 1.00 0.00 O ATOM 1397 CB GLN A 95 3.348 7.945 5.800 1.00 0.00 C ATOM 1398 CG GLN A 95 4.795 7.750 6.217 1.00 0.00 C ATOM 1399 CD GLN A 95 5.373 8.972 6.905 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.838 10.142 6.584 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.275 8.862 7.735 1.00 0.00 N flip ATOM 0 H GLN A 95 0.745 7.111 6.316 1.00 0.00 H new ATOM 0 HA GLN A 95 2.973 8.232 7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.012 7.060 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.288 8.784 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.864 6.893 6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.394 7.515 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.658 7.942 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.639 9.691 8.205 1.00 0.00 H new ATOM 1410 N GLU A 96 2.081 10.538 7.549 1.00 0.00 N ATOM 1411 CA GLU A 96 1.514 11.869 7.387 1.00 0.00 C ATOM 1412 C GLU A 96 2.276 12.638 6.322 1.00 0.00 C ATOM 1413 O GLU A 96 3.502 12.744 6.370 1.00 0.00 O ATOM 1414 CB GLU A 96 1.547 12.657 8.696 1.00 0.00 C ATOM 1415 CG GLU A 96 0.710 12.055 9.807 1.00 0.00 C ATOM 1416 CD GLU A 96 0.810 12.850 11.089 1.00 0.00 C ATOM 1417 OE1 GLU A 96 0.197 13.937 11.172 1.00 0.00 O ATOM 1418 OE2 GLU A 96 1.521 12.407 12.013 1.00 0.00 O ATOM 0 H GLU A 96 2.776 10.458 8.291 1.00 0.00 H new ATOM 0 HA GLU A 96 0.474 11.746 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.580 12.732 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.200 13.672 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.332 12.008 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.034 11.031 9.990 1.00 0.00 H new ATOM 1425 N THR A 97 1.540 13.162 5.363 1.00 0.00 N ATOM 1426 CA THR A 97 2.119 13.916 4.271 1.00 0.00 C ATOM 1427 C THR A 97 2.656 15.257 4.770 1.00 0.00 C ATOM 1428 O THR A 97 1.916 16.063 5.336 1.00 0.00 O ATOM 1429 CB THR A 97 1.065 14.142 3.170 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.092 14.774 3.731 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.656 12.820 2.536 1.00 0.00 C ATOM 0 H THR A 97 0.524 13.077 5.319 1.00 0.00 H new ATOM 0 HA THR A 97 2.950 13.345 3.856 1.00 0.00 H new ATOM 0 HB THR A 97 1.502 14.781 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.833 14.728 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.089 13.003 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.530 12.343 2.093 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.233 12.166 3.299 1.00 0.00 H new ATOM 1439 N THR A 98 3.952 15.477 4.582 1.00 0.00 N ATOM 1440 CA THR A 98 4.595 16.704 5.034 1.00 0.00 C ATOM 1441 C THR A 98 4.130 17.892 4.199 1.00 0.00 C ATOM 1442 O THR A 98 4.047 19.022 4.684 1.00 0.00 O ATOM 1443 CB THR A 98 6.123 16.581 4.932 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.542 15.322 5.476 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.818 17.712 5.676 1.00 0.00 C ATOM 0 H THR A 98 4.579 14.820 4.118 1.00 0.00 H new ATOM 0 HA THR A 98 4.315 16.865 6.075 1.00 0.00 H new ATOM 0 HB THR A 98 6.400 16.643 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.517 15.245 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.898 17.597 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.517 18.668 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.537 17.682 6.729 1.00 0.00 H new