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 : amide:sc= -4.01 X(o=-4.1,f=-4.1!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.0737 F(o=-6.4!,f=-4.1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -17:sc= 0.452 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 40 TYR OH : rot 21:sc= -4.63! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -27:sc= 0.393 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00225 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.967 USER MOD Single : A 62 ASN : amide:sc= -0.176 K(o=-0.18,f=-3.2!) 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= -0.0111 USER MOD Single : A 70 GLN : amide:sc= -0.911 K(o=-0.91,f=-5.4!) USER MOD Single : A 75 TYR OH : rot 173:sc= -0.894 USER MOD Single : A 78 THR OG1 : rot 85:sc= 0.00585 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 86 GLN : amide:sc= 1.3 K(o=1.3,f=-0.11) USER MOD Single : A 88 SER OG : rot 83:sc= 0.0414 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 94 GLN : amide:sc=-0.00167 K(o=-0.0017,f=-0.8) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.152 F(o=-2.2,f=-0.15) USER MOD Single : A 97 THR OG1 : rot -163:sc= 2.18 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.172 -11.700 4.249 1.00 0.00 N ATOM 142 CA ALA A 12 2.273 -10.354 3.704 1.00 0.00 C ATOM 143 C ALA A 12 3.701 -9.844 3.850 1.00 0.00 C ATOM 144 O ALA A 12 4.479 -10.398 4.631 1.00 0.00 O ATOM 145 CB ALA A 12 1.320 -9.430 4.438 1.00 0.00 C ATOM 0 HA ALA A 12 2.007 -10.375 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.399 -8.424 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.299 -9.791 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.576 -9.410 5.497 1.00 0.00 H new ATOM 151 N PRO A 13 4.076 -8.787 3.111 1.00 0.00 N ATOM 152 CA PRO A 13 5.385 -8.153 3.263 1.00 0.00 C ATOM 153 C PRO A 13 5.498 -7.419 4.593 1.00 0.00 C ATOM 154 O PRO A 13 4.613 -6.635 4.951 1.00 0.00 O ATOM 155 CB PRO A 13 5.439 -7.145 2.107 1.00 0.00 C ATOM 156 CG PRO A 13 4.339 -7.541 1.187 1.00 0.00 C ATOM 157 CD PRO A 13 3.282 -8.124 2.066 1.00 0.00 C ATOM 0 HA PRO A 13 6.196 -8.881 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.302 -6.126 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.404 -7.177 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.961 -6.682 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.684 -8.268 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.627 -7.357 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.648 -8.829 1.528 1.00 0.00 H new ATOM 165 N PRO A 14 6.568 -7.685 5.357 1.00 0.00 N ATOM 166 CA PRO A 14 6.858 -6.941 6.582 1.00 0.00 C ATOM 167 C PRO A 14 6.864 -5.455 6.318 1.00 0.00 C ATOM 168 O PRO A 14 7.348 -5.016 5.273 1.00 0.00 O ATOM 169 CB PRO A 14 8.249 -7.429 6.988 1.00 0.00 C ATOM 170 CG PRO A 14 8.389 -8.772 6.355 1.00 0.00 C ATOM 171 CD PRO A 14 7.564 -8.737 5.095 1.00 0.00 C ATOM 0 HA PRO A 14 6.113 -7.104 7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.024 -6.746 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.344 -7.492 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.433 -8.988 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.039 -9.556 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.175 -8.502 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.089 -9.699 4.901 1.00 0.00 H new ATOM 179 N ASP A 15 6.340 -4.708 7.295 1.00 0.00 N ATOM 180 CA ASP A 15 5.944 -3.308 7.125 1.00 0.00 C ATOM 181 C ASP A 15 6.869 -2.547 6.190 1.00 0.00 C ATOM 182 O ASP A 15 7.988 -2.188 6.565 1.00 0.00 O ATOM 183 CB ASP A 15 5.921 -2.601 8.481 1.00 0.00 C ATOM 184 CG ASP A 15 4.862 -3.150 9.412 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.003 -4.305 9.867 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.880 -2.433 9.697 1.00 0.00 O ATOM 0 H ASP A 15 6.177 -5.064 8.237 1.00 0.00 H new ATOM 0 HA ASP A 15 4.949 -3.316 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.899 -2.699 8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.746 -1.536 8.327 1.00 0.00 H new ATOM 191 N PRO A 16 6.415 -2.319 4.945 1.00 0.00 N ATOM 192 CA PRO A 16 7.074 -1.427 3.996 1.00 0.00 C ATOM 193 C PRO A 16 7.398 -0.064 4.584 1.00 0.00 C ATOM 194 O PRO A 16 6.653 0.473 5.401 1.00 0.00 O ATOM 195 CB PRO A 16 6.048 -1.275 2.860 1.00 0.00 C ATOM 196 CG PRO A 16 4.815 -1.941 3.349 1.00 0.00 C ATOM 197 CD PRO A 16 5.285 -2.996 4.297 1.00 0.00 C ATOM 0 HA PRO A 16 8.034 -1.835 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.864 -0.224 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.407 -1.739 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.155 -1.230 3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.250 -2.376 2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.512 -3.281 5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.592 -3.905 3.780 1.00 0.00 H new ATOM 205 N THR A 17 8.508 0.486 4.143 1.00 0.00 N ATOM 206 CA THR A 17 8.952 1.786 4.596 1.00 0.00 C ATOM 207 C THR A 17 8.633 2.839 3.563 1.00 0.00 C ATOM 208 O THR A 17 8.863 2.653 2.367 1.00 0.00 O ATOM 209 CB THR A 17 10.467 1.780 4.877 1.00 0.00 C ATOM 210 OG1 THR A 17 10.802 0.668 5.720 1.00 0.00 O ATOM 211 CG2 THR A 17 10.907 3.075 5.543 1.00 0.00 C ATOM 0 H THR A 17 9.127 0.046 3.462 1.00 0.00 H new ATOM 0 HA THR A 17 8.424 2.018 5.521 1.00 0.00 H new ATOM 0 HB THR A 17 10.988 1.689 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.766 0.668 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.980 3.042 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.678 3.917 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.378 3.196 6.489 1.00 0.00 H new ATOM 219 N VAL A 18 8.050 3.915 4.035 1.00 0.00 N ATOM 220 CA VAL A 18 7.823 5.082 3.201 1.00 0.00 C ATOM 221 C VAL A 18 9.146 5.805 2.976 1.00 0.00 C ATOM 222 O VAL A 18 9.733 6.366 3.903 1.00 0.00 O ATOM 223 CB VAL A 18 6.784 6.045 3.810 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.694 7.325 2.981 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.420 5.370 3.914 1.00 0.00 C ATOM 0 H VAL A 18 7.721 4.011 4.996 1.00 0.00 H new ATOM 0 HA VAL A 18 7.417 4.740 2.249 1.00 0.00 H new ATOM 0 HB VAL A 18 7.107 6.310 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.956 7.994 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.667 7.817 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.395 7.078 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.701 6.066 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.085 5.072 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.498 4.488 4.550 1.00 0.00 H new ATOM 235 N ASP A 19 9.606 5.770 1.739 1.00 0.00 N ATOM 236 CA ASP A 19 10.923 6.272 1.378 1.00 0.00 C ATOM 237 C ASP A 19 10.867 7.764 1.084 1.00 0.00 C ATOM 238 O ASP A 19 11.776 8.519 1.435 1.00 0.00 O ATOM 239 CB ASP A 19 11.432 5.519 0.148 1.00 0.00 C ATOM 240 CG ASP A 19 12.924 5.666 -0.062 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.360 6.707 -0.590 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.667 4.726 0.294 1.00 0.00 O ATOM 0 H ASP A 19 9.077 5.392 0.953 1.00 0.00 H new ATOM 0 HA ASP A 19 11.603 6.112 2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.188 4.462 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.909 5.883 -0.736 1.00 0.00 H new ATOM 247 N GLN A 20 9.771 8.189 0.472 1.00 0.00 N ATOM 248 CA GLN A 20 9.607 9.575 0.058 1.00 0.00 C ATOM 249 C GLN A 20 8.226 10.066 0.432 1.00 0.00 C ATOM 250 O GLN A 20 7.247 9.330 0.326 1.00 0.00 O ATOM 251 CB GLN A 20 9.795 9.722 -1.453 1.00 0.00 C ATOM 252 CG GLN A 20 11.145 9.255 -1.969 1.00 0.00 C ATOM 253 CD GLN A 20 11.262 9.407 -3.471 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.661 10.303 -4.065 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.024 8.528 -4.097 1.00 0.00 N ATOM 0 H GLN A 20 8.977 7.589 0.250 1.00 0.00 H new ATOM 0 HA GLN A 20 10.365 10.169 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.012 9.158 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.660 10.769 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.936 9.827 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.295 8.210 -1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.505 7.801 -3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.132 8.576 -5.110 1.00 0.00 H new ATOM 264 N VAL A 21 8.157 11.305 0.877 1.00 0.00 N ATOM 265 CA VAL A 21 6.896 11.900 1.288 1.00 0.00 C ATOM 266 C VAL A 21 6.747 13.302 0.695 1.00 0.00 C ATOM 267 O VAL A 21 7.716 14.060 0.627 1.00 0.00 O ATOM 268 CB VAL A 21 6.784 11.977 2.829 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.435 12.530 3.244 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.016 10.616 3.470 1.00 0.00 C ATOM 0 H VAL A 21 8.963 11.924 0.964 1.00 0.00 H new ATOM 0 HA VAL A 21 6.096 11.261 0.914 1.00 0.00 H new ATOM 0 HB VAL A 21 7.562 12.654 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.379 12.575 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.310 13.532 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.644 11.882 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.930 10.705 4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.271 9.910 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.013 10.258 3.213 1.00 0.00 H new ATOM 280 N ASP A 22 5.539 13.634 0.255 1.00 0.00 N ATOM 281 CA ASP A 22 5.257 14.937 -0.341 1.00 0.00 C ATOM 282 C ASP A 22 3.823 15.348 0.011 1.00 0.00 C ATOM 283 O ASP A 22 3.267 14.858 0.999 1.00 0.00 O ATOM 284 CB ASP A 22 5.451 14.851 -1.866 1.00 0.00 C ATOM 285 CG ASP A 22 5.554 16.202 -2.548 1.00 0.00 C ATOM 286 OD1 ASP A 22 6.633 16.828 -2.478 1.00 0.00 O ATOM 287 OD2 ASP A 22 4.559 16.639 -3.166 1.00 0.00 O ATOM 0 H ASP A 22 4.731 13.013 0.300 1.00 0.00 H new ATOM 0 HA ASP A 22 5.940 15.691 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.355 14.279 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.616 14.299 -2.298 1.00 0.00 H new ATOM 292 N ASP A 23 3.228 16.240 -0.776 1.00 0.00 N ATOM 293 CA ASP A 23 1.848 16.665 -0.546 1.00 0.00 C ATOM 294 C ASP A 23 0.885 15.618 -1.089 1.00 0.00 C ATOM 295 O ASP A 23 0.235 14.893 -0.337 1.00 0.00 O ATOM 296 CB ASP A 23 1.535 18.007 -1.235 1.00 0.00 C ATOM 297 CG ASP A 23 2.429 19.161 -0.818 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.522 19.318 -1.402 1.00 0.00 O ATOM 299 OD2 ASP A 23 2.028 19.945 0.068 1.00 0.00 O ATOM 0 H ASP A 23 3.678 16.683 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 23 1.727 16.785 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.618 17.873 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.499 18.274 -1.025 1.00 0.00 H new ATOM 304 N THR A 24 0.826 15.536 -2.410 1.00 0.00 N ATOM 305 CA THR A 24 -0.117 14.673 -3.102 1.00 0.00 C ATOM 306 C THR A 24 0.589 13.432 -3.658 1.00 0.00 C ATOM 307 O THR A 24 0.219 12.910 -4.710 1.00 0.00 O ATOM 308 CB THR A 24 -0.782 15.456 -4.249 1.00 0.00 C ATOM 309 OG1 THR A 24 0.222 15.952 -5.143 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.583 16.625 -3.695 1.00 0.00 C ATOM 0 H THR A 24 1.433 16.068 -3.033 1.00 0.00 H new ATOM 0 HA THR A 24 -0.877 14.345 -2.393 1.00 0.00 H new ATOM 0 HB THR A 24 -1.453 14.785 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.205 16.448 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.048 17.170 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.357 16.251 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.919 17.293 -3.146 1.00 0.00 H new ATOM 318 N SER A 25 1.584 12.948 -2.920 1.00 0.00 N ATOM 319 CA SER A 25 2.469 11.873 -3.375 1.00 0.00 C ATOM 320 C SER A 25 3.299 11.345 -2.203 1.00 0.00 C ATOM 321 O SER A 25 3.781 12.123 -1.383 1.00 0.00 O ATOM 322 CB SER A 25 3.417 12.360 -4.482 1.00 0.00 C ATOM 323 OG SER A 25 2.707 12.916 -5.579 1.00 0.00 O ATOM 0 H SER A 25 1.802 13.290 -1.984 1.00 0.00 H new ATOM 0 HA SER A 25 1.843 11.077 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.098 13.107 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.028 11.527 -4.829 1.00 0.00 H new ATOM 0 HG SER A 25 1.769 12.637 -5.537 1.00 0.00 H new ATOM 329 N ILE A 26 3.438 10.027 -2.123 1.00 0.00 N ATOM 330 CA ILE A 26 4.250 9.368 -1.084 1.00 0.00 C ATOM 331 C ILE A 26 4.737 8.032 -1.634 1.00 0.00 C ATOM 332 O ILE A 26 4.060 7.448 -2.446 1.00 0.00 O ATOM 333 CB ILE A 26 3.440 9.136 0.229 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.269 10.437 1.012 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.098 8.095 1.116 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.485 10.269 2.295 1.00 0.00 C ATOM 0 H ILE A 26 2.995 9.377 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 26 5.090 10.015 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 26 2.458 8.769 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.253 10.843 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.765 11.169 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.505 7.961 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.162 7.148 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.100 8.428 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.402 11.232 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.488 9.893 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.999 9.562 2.946 1.00 0.00 H new ATOM 348 N VAL A 27 5.893 7.539 -1.220 1.00 0.00 N ATOM 349 CA VAL A 27 6.403 6.305 -1.797 1.00 0.00 C ATOM 350 C VAL A 27 6.627 5.276 -0.713 1.00 0.00 C ATOM 351 O VAL A 27 7.151 5.606 0.342 1.00 0.00 O ATOM 352 CB VAL A 27 7.729 6.527 -2.535 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.188 5.232 -3.187 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.593 7.631 -3.569 1.00 0.00 C ATOM 0 H VAL A 27 6.484 7.962 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 27 5.657 5.953 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 27 8.481 6.838 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.130 5.401 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.329 4.469 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.434 4.896 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.546 7.771 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.829 7.357 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.307 8.559 -3.075 1.00 0.00 H new ATOM 364 N VAL A 28 6.243 4.034 -0.958 1.00 0.00 N ATOM 365 CA VAL A 28 6.445 2.999 0.039 1.00 0.00 C ATOM 366 C VAL A 28 7.115 1.783 -0.587 1.00 0.00 C ATOM 367 O VAL A 28 6.930 1.510 -1.770 1.00 0.00 O ATOM 368 CB VAL A 28 5.129 2.586 0.734 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.129 3.715 0.752 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.531 1.343 0.122 1.00 0.00 C ATOM 0 H VAL A 28 5.798 3.723 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 28 7.097 3.416 0.806 1.00 0.00 H new ATOM 0 HB VAL A 28 5.383 2.350 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.217 3.385 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.549 4.564 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.898 4.012 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.607 1.090 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.317 1.523 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.237 0.517 0.213 1.00 0.00 H new ATOM 380 N ARG A 29 7.893 1.070 0.215 1.00 0.00 N ATOM 381 CA ARG A 29 8.684 -0.062 -0.265 1.00 0.00 C ATOM 382 C ARG A 29 8.542 -1.247 0.680 1.00 0.00 C ATOM 383 O ARG A 29 8.919 -1.163 1.847 1.00 0.00 O ATOM 384 CB ARG A 29 10.160 0.343 -0.363 1.00 0.00 C ATOM 385 CG ARG A 29 10.388 1.691 -1.036 1.00 0.00 C ATOM 386 CD ARG A 29 11.833 2.146 -0.922 1.00 0.00 C ATOM 387 NE ARG A 29 12.752 1.265 -1.634 1.00 0.00 N ATOM 388 CZ ARG A 29 14.059 1.495 -1.751 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.608 2.572 -1.195 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.820 0.645 -2.430 1.00 0.00 N ATOM 0 H ARG A 29 7.996 1.256 1.213 1.00 0.00 H new ATOM 0 HA ARG A 29 8.319 -0.351 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.586 0.372 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.701 -0.424 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.111 1.623 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.736 2.438 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.925 3.158 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.116 2.188 0.130 1.00 0.00 H new ATOM 0 HE ARG A 29 12.372 0.424 -2.068 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.027 3.229 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.610 2.740 -1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.404 -0.181 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.821 0.818 -2.522 1.00 0.00 H new ATOM 404 N TRP A 30 8.050 -2.357 0.147 1.00 0.00 N ATOM 405 CA TRP A 30 7.712 -3.537 0.951 1.00 0.00 C ATOM 406 C TRP A 30 8.637 -4.712 0.647 1.00 0.00 C ATOM 407 O TRP A 30 9.095 -4.882 -0.484 1.00 0.00 O ATOM 408 CB TRP A 30 6.245 -3.960 0.710 1.00 0.00 C ATOM 409 CG TRP A 30 5.904 -4.174 -0.726 1.00 0.00 C ATOM 410 CD1 TRP A 30 6.114 -5.295 -1.460 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.258 -3.246 -1.589 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.682 -5.108 -2.746 1.00 0.00 N ATOM 413 CE2 TRP A 30 5.135 -3.861 -2.845 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.779 -1.953 -1.422 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.547 -3.223 -3.928 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.191 -1.326 -2.493 1.00 0.00 C ATOM 417 CH2 TRP A 30 4.078 -1.957 -3.729 1.00 0.00 C ATOM 0 H TRP A 30 7.872 -2.471 -0.851 1.00 0.00 H new ATOM 0 HA TRP A 30 7.842 -3.260 1.997 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.048 -4.880 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.585 -3.195 1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.558 -6.205 -1.084 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.756 -5.787 -3.503 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.867 -1.451 -0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.464 -3.709 -4.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.808 -0.323 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.609 -1.433 -4.548 1.00 0.00 H new ATOM 428 N SER A 31 8.910 -5.516 1.666 1.00 0.00 N ATOM 429 CA SER A 31 9.657 -6.748 1.488 1.00 0.00 C ATOM 430 C SER A 31 8.691 -7.886 1.175 1.00 0.00 C ATOM 431 O SER A 31 8.156 -8.527 2.077 1.00 0.00 O ATOM 432 CB SER A 31 10.486 -7.070 2.736 1.00 0.00 C ATOM 433 OG SER A 31 11.269 -8.241 2.550 1.00 0.00 O ATOM 0 H SER A 31 8.623 -5.333 2.627 1.00 0.00 H new ATOM 0 HA SER A 31 10.348 -6.625 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.138 -6.228 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.823 -7.206 3.590 1.00 0.00 H new ATOM 0 HG SER A 31 11.788 -8.420 3.362 1.00 0.00 H new ATOM 439 N ARG A 32 8.468 -8.103 -0.113 1.00 0.00 N ATOM 440 CA ARG A 32 7.510 -9.096 -0.611 1.00 0.00 C ATOM 441 C ARG A 32 7.711 -10.487 0.019 1.00 0.00 C ATOM 442 O ARG A 32 8.821 -10.849 0.417 1.00 0.00 O ATOM 443 CB ARG A 32 7.618 -9.184 -2.139 1.00 0.00 C ATOM 444 CG ARG A 32 9.047 -9.165 -2.637 1.00 0.00 C ATOM 445 CD ARG A 32 9.456 -7.790 -3.140 1.00 0.00 C ATOM 446 NE ARG A 32 10.886 -7.736 -3.438 1.00 0.00 N ATOM 447 CZ ARG A 32 11.397 -7.305 -4.589 1.00 0.00 C ATOM 448 NH1 ARG A 32 10.599 -6.881 -5.561 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.711 -7.295 -4.769 1.00 0.00 N ATOM 0 H ARG A 32 8.949 -7.593 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 32 6.513 -8.765 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.134 -10.099 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.074 -8.351 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.716 -9.470 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.161 -9.894 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.886 -7.544 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.210 -7.038 -2.390 1.00 0.00 H new ATOM 0 HE ARG A 32 11.535 -8.049 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.588 -6.884 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.997 -6.552 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.330 -7.618 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.102 -6.965 -5.651 1.00 0.00 H new ATOM 463 N PRO A 33 6.624 -11.291 0.084 1.00 0.00 N ATOM 464 CA PRO A 33 6.611 -12.592 0.752 1.00 0.00 C ATOM 465 C PRO A 33 7.262 -13.682 -0.081 1.00 0.00 C ATOM 466 O PRO A 33 7.430 -13.543 -1.291 1.00 0.00 O ATOM 467 CB PRO A 33 5.111 -12.920 0.902 1.00 0.00 C ATOM 468 CG PRO A 33 4.364 -11.756 0.339 1.00 0.00 C ATOM 469 CD PRO A 33 5.326 -11.010 -0.524 1.00 0.00 C ATOM 0 HA PRO A 33 7.164 -12.550 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.859 -13.837 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.851 -13.078 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.503 -12.091 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.983 -11.118 1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.285 -11.352 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.111 -9.942 -0.533 1.00 0.00 H new ATOM 477 N GLN A 34 7.610 -14.777 0.583 1.00 0.00 N ATOM 478 CA GLN A 34 8.103 -15.962 -0.098 1.00 0.00 C ATOM 479 C GLN A 34 6.923 -16.788 -0.595 1.00 0.00 C ATOM 480 O GLN A 34 7.089 -17.778 -1.310 1.00 0.00 O ATOM 481 CB GLN A 34 8.968 -16.794 0.840 1.00 0.00 C ATOM 482 CG GLN A 34 10.132 -16.025 1.441 1.00 0.00 C ATOM 483 CD GLN A 34 10.957 -16.870 2.387 1.00 0.00 C ATOM 484 OE1 GLN A 34 11.060 -18.089 2.222 1.00 0.00 O ATOM 485 NE2 GLN A 34 11.552 -16.236 3.384 1.00 0.00 N ATOM 0 H GLN A 34 7.559 -14.867 1.598 1.00 0.00 H new ATOM 0 HA GLN A 34 8.714 -15.657 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.345 -17.181 1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.356 -17.655 0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.771 -15.654 0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.751 -15.154 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.441 -15.227 3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.121 -16.756 4.052 1.00 0.00 H new ATOM 494 N ALA A 35 5.729 -16.370 -0.182 1.00 0.00 N ATOM 495 CA ALA A 35 4.483 -16.970 -0.634 1.00 0.00 C ATOM 496 C ALA A 35 4.340 -16.842 -2.140 1.00 0.00 C ATOM 497 O ALA A 35 4.868 -15.901 -2.737 1.00 0.00 O ATOM 498 CB ALA A 35 3.308 -16.272 0.029 1.00 0.00 C ATOM 0 H ALA A 35 5.601 -15.603 0.478 1.00 0.00 H new ATOM 0 HA ALA A 35 4.496 -18.026 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.377 -16.724 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.387 -16.376 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.316 -15.215 -0.236 1.00 0.00 H new ATOM 504 N PRO A 36 3.638 -17.783 -2.784 1.00 0.00 N ATOM 505 CA PRO A 36 3.263 -17.618 -4.176 1.00 0.00 C ATOM 506 C PRO A 36 2.214 -16.526 -4.294 1.00 0.00 C ATOM 507 O PRO A 36 1.109 -16.658 -3.781 1.00 0.00 O ATOM 508 CB PRO A 36 2.672 -18.980 -4.575 1.00 0.00 C ATOM 509 CG PRO A 36 3.007 -19.911 -3.456 1.00 0.00 C ATOM 510 CD PRO A 36 3.168 -19.058 -2.230 1.00 0.00 C ATOM 0 HA PRO A 36 4.099 -17.331 -4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.594 -18.912 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.097 -19.330 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.217 -20.649 -3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.923 -20.461 -3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.228 -18.943 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.887 -19.485 -1.531 1.00 0.00 H new ATOM 518 N ILE A 37 2.578 -15.443 -4.946 1.00 0.00 N ATOM 519 CA ILE A 37 1.679 -14.320 -5.134 1.00 0.00 C ATOM 520 C ILE A 37 1.652 -13.950 -6.620 1.00 0.00 C ATOM 521 O ILE A 37 2.668 -14.054 -7.306 1.00 0.00 O ATOM 522 CB ILE A 37 2.131 -13.107 -4.274 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.543 -12.696 -4.682 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.060 -13.418 -2.770 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.287 -11.898 -3.638 1.00 0.00 C ATOM 0 H ILE A 37 3.501 -15.314 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 37 0.676 -14.599 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 37 1.447 -12.278 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.117 -13.593 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.487 -12.109 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.384 -12.546 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.034 -13.668 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.711 -14.262 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.280 -11.648 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.739 -10.981 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.379 -12.488 -2.726 1.00 0.00 H new ATOM 537 N THR A 38 0.487 -13.569 -7.124 1.00 0.00 N ATOM 538 CA THR A 38 0.332 -13.217 -8.529 1.00 0.00 C ATOM 539 C THR A 38 0.524 -11.727 -8.788 1.00 0.00 C ATOM 540 O THR A 38 0.985 -11.337 -9.859 1.00 0.00 O ATOM 541 CB THR A 38 -1.042 -13.641 -9.066 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.071 -13.278 -8.139 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.079 -15.125 -9.326 1.00 0.00 C ATOM 0 H THR A 38 -0.371 -13.495 -6.577 1.00 0.00 H new ATOM 0 HA THR A 38 1.116 -13.761 -9.055 1.00 0.00 H new ATOM 0 HB THR A 38 -1.216 -13.121 -10.008 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.942 -13.553 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.062 -15.403 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.318 -15.384 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.883 -15.662 -8.398 1.00 0.00 H new ATOM 551 N GLY A 39 0.170 -10.891 -7.824 1.00 0.00 N ATOM 552 CA GLY A 39 0.284 -9.466 -8.023 1.00 0.00 C ATOM 553 C GLY A 39 0.225 -8.712 -6.725 1.00 0.00 C ATOM 554 O GLY A 39 0.374 -9.311 -5.669 1.00 0.00 O ATOM 0 H GLY A 39 -0.192 -11.174 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.224 -9.244 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.519 -9.126 -8.677 1.00 0.00 H new ATOM 558 N TYR A 40 -0.009 -7.410 -6.804 1.00 0.00 N ATOM 559 CA TYR A 40 -0.189 -6.574 -5.625 1.00 0.00 C ATOM 560 C TYR A 40 -1.273 -5.539 -5.844 1.00 0.00 C ATOM 561 O TYR A 40 -1.308 -4.872 -6.879 1.00 0.00 O ATOM 562 CB TYR A 40 1.094 -5.829 -5.263 1.00 0.00 C ATOM 563 CG TYR A 40 2.001 -6.586 -4.330 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.444 -7.858 -4.642 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.427 -6.021 -3.142 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.279 -8.546 -3.801 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.257 -6.707 -2.293 1.00 0.00 C ATOM 568 CZ TYR A 40 3.679 -7.965 -2.626 1.00 0.00 C ATOM 569 OH TYR A 40 4.514 -8.639 -1.789 1.00 0.00 O ATOM 0 H TYR A 40 -0.079 -6.903 -7.686 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.469 -7.248 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.640 -5.601 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.831 -4.876 -4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.126 -8.318 -5.566 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.101 -5.025 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.619 -9.537 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.576 -6.256 -1.365 1.00 0.00 H new ATOM 0 HH TYR A 40 4.988 -9.335 -2.290 1.00 0.00 H new ATOM 579 N ARG A 41 -2.157 -5.413 -4.872 1.00 0.00 N ATOM 580 CA ARG A 41 -3.070 -4.282 -4.831 1.00 0.00 C ATOM 581 C ARG A 41 -2.585 -3.314 -3.788 1.00 0.00 C ATOM 582 O ARG A 41 -1.948 -3.717 -2.835 1.00 0.00 O ATOM 583 CB ARG A 41 -4.468 -4.711 -4.467 1.00 0.00 C ATOM 584 CG ARG A 41 -4.839 -6.064 -5.032 1.00 0.00 C ATOM 585 CD ARG A 41 -5.013 -6.024 -6.542 1.00 0.00 C ATOM 586 NE ARG A 41 -5.981 -5.011 -6.969 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.502 -4.950 -8.194 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.216 -5.890 -9.089 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.312 -3.954 -8.524 1.00 0.00 N ATOM 0 H ARG A 41 -2.264 -6.075 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.095 -3.825 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.562 -4.739 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.176 -3.966 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.066 -6.788 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.764 -6.408 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.050 -5.821 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.338 -7.003 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.274 -4.310 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.596 -6.661 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.616 -5.841 -10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.538 -3.232 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.710 -3.909 -9.462 1.00 0.00 H new ATOM 603 N ILE A 42 -2.834 -2.045 -3.970 1.00 0.00 N ATOM 604 CA ILE A 42 -2.377 -1.071 -2.988 1.00 0.00 C ATOM 605 C ILE A 42 -3.410 -0.004 -2.715 1.00 0.00 C ATOM 606 O ILE A 42 -3.575 0.902 -3.512 1.00 0.00 O ATOM 607 CB ILE A 42 -1.071 -0.410 -3.461 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.081 -1.486 -3.882 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.482 0.458 -2.357 1.00 0.00 C ATOM 610 CD1 ILE A 42 1.092 -0.969 -4.663 1.00 0.00 C ATOM 0 H ILE A 42 -3.339 -1.657 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.204 -1.614 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.284 0.231 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.286 -1.996 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.604 -2.230 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.441 0.918 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.195 1.237 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.270 -0.158 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.749 -1.798 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.738 -0.486 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.642 -0.247 -4.059 1.00 0.00 H new ATOM 622 N VAL A 43 -4.038 -0.064 -1.550 1.00 0.00 N ATOM 623 CA VAL A 43 -5.071 0.901 -1.205 1.00 0.00 C ATOM 624 C VAL A 43 -4.579 1.849 -0.131 1.00 0.00 C ATOM 625 O VAL A 43 -4.390 1.464 1.018 1.00 0.00 O ATOM 626 CB VAL A 43 -6.377 0.231 -0.721 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.365 1.273 -0.236 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.000 -0.604 -1.823 1.00 0.00 C ATOM 0 H VAL A 43 -3.852 -0.765 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.292 1.450 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.126 -0.428 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.277 0.781 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.928 1.831 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.601 1.957 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.917 -1.064 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.230 0.033 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.301 -1.382 -2.129 1.00 0.00 H new ATOM 638 N TYR A 44 -4.373 3.084 -0.518 1.00 0.00 N ATOM 639 CA TYR A 44 -3.986 4.120 0.405 1.00 0.00 C ATOM 640 C TYR A 44 -5.123 5.091 0.578 1.00 0.00 C ATOM 641 O TYR A 44 -5.664 5.636 -0.398 1.00 0.00 O ATOM 642 CB TYR A 44 -2.695 4.820 -0.044 1.00 0.00 C ATOM 643 CG TYR A 44 -2.523 4.920 -1.543 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.177 3.801 -2.291 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.692 6.124 -2.209 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.009 3.873 -3.653 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.521 6.210 -3.575 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.182 5.083 -4.293 1.00 0.00 C ATOM 649 OH TYR A 44 -2.014 5.169 -5.651 1.00 0.00 O ATOM 0 H TYR A 44 -4.469 3.399 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.769 3.668 1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.676 5.825 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.842 4.283 0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.037 2.854 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.962 7.008 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.744 2.991 -4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.652 7.156 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.174 6.091 -5.943 1.00 0.00 H new ATOM 659 N SER A 45 -5.492 5.264 1.831 1.00 0.00 N ATOM 660 CA SER A 45 -6.654 6.056 2.190 1.00 0.00 C ATOM 661 C SER A 45 -6.366 6.951 3.394 1.00 0.00 C ATOM 662 O SER A 45 -5.757 6.522 4.376 1.00 0.00 O ATOM 663 CB SER A 45 -7.835 5.127 2.494 1.00 0.00 C ATOM 664 OG SER A 45 -9.012 5.860 2.792 1.00 0.00 O ATOM 0 H SER A 45 -4.998 4.862 2.628 1.00 0.00 H new ATOM 0 HA SER A 45 -6.903 6.701 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.017 4.477 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.584 4.482 3.336 1.00 0.00 H new ATOM 0 HG SER A 45 -9.746 5.238 2.979 1.00 0.00 H new ATOM 670 N PRO A 46 -6.793 8.217 3.310 1.00 0.00 N ATOM 671 CA PRO A 46 -6.684 9.182 4.409 1.00 0.00 C ATOM 672 C PRO A 46 -7.632 8.849 5.559 1.00 0.00 C ATOM 673 O PRO A 46 -8.823 8.621 5.350 1.00 0.00 O ATOM 674 CB PRO A 46 -7.083 10.503 3.754 1.00 0.00 C ATOM 675 CG PRO A 46 -7.944 10.120 2.605 1.00 0.00 C ATOM 676 CD PRO A 46 -7.424 8.805 2.116 1.00 0.00 C ATOM 0 HA PRO A 46 -5.688 9.194 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.621 11.143 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.206 11.059 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.987 10.037 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.901 10.873 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.226 8.173 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.707 8.934 1.306 1.00 0.00 H new ATOM 744 N SER A 52 -8.537 8.629 -1.897 1.00 0.00 N ATOM 745 CA SER A 52 -7.984 7.295 -1.697 1.00 0.00 C ATOM 746 C SER A 52 -7.765 6.609 -3.039 1.00 0.00 C ATOM 747 O SER A 52 -8.569 6.767 -3.961 1.00 0.00 O ATOM 748 CB SER A 52 -8.922 6.462 -0.819 1.00 0.00 C ATOM 749 OG SER A 52 -10.279 6.670 -1.189 1.00 0.00 O ATOM 0 HA SER A 52 -7.022 7.385 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.673 5.405 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.781 6.730 0.228 1.00 0.00 H new ATOM 0 HG SER A 52 -10.377 7.560 -1.587 1.00 0.00 H new ATOM 755 N THR A 53 -6.692 5.844 -3.152 1.00 0.00 N ATOM 756 CA THR A 53 -6.343 5.245 -4.435 1.00 0.00 C ATOM 757 C THR A 53 -5.774 3.834 -4.261 1.00 0.00 C ATOM 758 O THR A 53 -5.146 3.535 -3.249 1.00 0.00 O ATOM 759 CB THR A 53 -5.317 6.128 -5.182 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.775 7.487 -5.235 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.074 5.626 -6.597 1.00 0.00 C ATOM 0 H THR A 53 -6.055 5.624 -2.386 1.00 0.00 H new ATOM 0 HA THR A 53 -7.259 5.175 -5.022 1.00 0.00 H new ATOM 0 HB THR A 53 -4.379 6.076 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.116 8.036 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.348 6.271 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.689 4.607 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.011 5.640 -7.154 1.00 0.00 H new ATOM 769 N GLU A 54 -6.032 2.974 -5.243 1.00 0.00 N ATOM 770 CA GLU A 54 -5.442 1.653 -5.300 1.00 0.00 C ATOM 771 C GLU A 54 -4.556 1.527 -6.532 1.00 0.00 C ATOM 772 O GLU A 54 -5.022 1.719 -7.656 1.00 0.00 O ATOM 773 CB GLU A 54 -6.513 0.560 -5.356 1.00 0.00 C ATOM 774 CG GLU A 54 -5.922 -0.842 -5.417 1.00 0.00 C ATOM 775 CD GLU A 54 -6.891 -1.876 -5.948 1.00 0.00 C ATOM 776 OE1 GLU A 54 -7.446 -1.663 -7.046 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.091 -2.916 -5.286 1.00 0.00 O ATOM 0 H GLU A 54 -6.659 3.181 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.851 1.523 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.155 0.641 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.145 0.721 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.034 -0.828 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.598 -1.136 -4.419 1.00 0.00 H new ATOM 784 N LEU A 55 -3.287 1.209 -6.330 1.00 0.00 N ATOM 785 CA LEU A 55 -2.413 0.902 -7.451 1.00 0.00 C ATOM 786 C LEU A 55 -2.274 -0.600 -7.600 1.00 0.00 C ATOM 787 O LEU A 55 -2.587 -1.356 -6.679 1.00 0.00 O ATOM 788 CB LEU A 55 -1.032 1.581 -7.337 1.00 0.00 C ATOM 789 CG LEU A 55 -1.073 3.103 -7.479 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.300 3.664 -7.796 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.073 3.533 -8.543 1.00 0.00 C ATOM 0 H LEU A 55 -2.844 1.157 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.877 1.311 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.593 1.328 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.373 1.173 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.397 3.507 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.237 4.748 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.991 3.409 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.660 3.238 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.078 4.620 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.790 3.103 -9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.069 3.184 -8.269 1.00 0.00 H new ATOM 803 N ASN A 56 -1.856 -1.028 -8.775 1.00 0.00 N ATOM 804 CA ASN A 56 -1.662 -2.439 -9.044 1.00 0.00 C ATOM 805 C ASN A 56 -0.231 -2.679 -9.479 1.00 0.00 C ATOM 806 O ASN A 56 0.209 -2.153 -10.500 1.00 0.00 O ATOM 807 CB ASN A 56 -2.630 -2.924 -10.126 1.00 0.00 C ATOM 808 CG ASN A 56 -2.479 -4.405 -10.417 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.691 -4.810 -11.272 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.236 -5.224 -9.709 1.00 0.00 N ATOM 0 H ASN A 56 -1.643 -0.415 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.863 -3.001 -8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.654 -2.721 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.460 -2.358 -11.042 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.180 -6.231 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.877 -4.849 -9.009 1.00 0.00 H new ATOM 817 N LEU A 57 0.493 -3.459 -8.702 1.00 0.00 N ATOM 818 CA LEU A 57 1.885 -3.727 -8.990 1.00 0.00 C ATOM 819 C LEU A 57 2.044 -5.200 -9.281 1.00 0.00 C ATOM 820 O LEU A 57 1.185 -5.998 -8.928 1.00 0.00 O ATOM 821 CB LEU A 57 2.793 -3.312 -7.813 1.00 0.00 C ATOM 822 CG LEU A 57 2.920 -1.813 -7.549 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.275 -1.503 -6.953 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.710 -1.003 -8.805 1.00 0.00 C ATOM 0 H LEU A 57 0.138 -3.919 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 57 2.188 -3.139 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.417 -3.788 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.790 -3.713 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 57 2.139 -1.535 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.355 -0.432 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.391 -2.043 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.057 -1.811 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.809 0.058 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.456 -1.284 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.713 -1.197 -9.201 1.00 0.00 H new ATOM 836 N PRO A 58 3.104 -5.581 -9.981 1.00 0.00 N ATOM 837 CA PRO A 58 3.406 -6.984 -10.187 1.00 0.00 C ATOM 838 C PRO A 58 3.879 -7.640 -8.894 1.00 0.00 C ATOM 839 O PRO A 58 4.409 -6.965 -8.014 1.00 0.00 O ATOM 840 CB PRO A 58 4.515 -6.973 -11.243 1.00 0.00 C ATOM 841 CG PRO A 58 5.130 -5.616 -11.160 1.00 0.00 C ATOM 842 CD PRO A 58 4.061 -4.686 -10.649 1.00 0.00 C ATOM 0 HA PRO A 58 2.535 -7.558 -10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.253 -7.751 -11.046 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.112 -7.161 -12.238 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.990 -5.621 -10.491 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.489 -5.293 -12.137 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.469 -3.950 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.590 -4.133 -11.462 1.00 0.00 H new ATOM 850 N GLU A 59 3.647 -8.938 -8.773 1.00 0.00 N ATOM 851 CA GLU A 59 4.123 -9.725 -7.624 1.00 0.00 C ATOM 852 C GLU A 59 5.568 -9.377 -7.256 1.00 0.00 C ATOM 853 O GLU A 59 5.924 -9.261 -6.083 1.00 0.00 O ATOM 854 CB GLU A 59 4.040 -11.218 -7.950 1.00 0.00 C ATOM 855 CG GLU A 59 4.766 -11.599 -9.231 1.00 0.00 C ATOM 856 CD GLU A 59 4.916 -13.093 -9.402 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.749 -13.695 -8.692 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.224 -13.670 -10.264 1.00 0.00 O ATOM 0 H GLU A 59 3.126 -9.483 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 59 3.484 -9.484 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.460 -11.787 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.992 -11.506 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.222 -11.194 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.753 -11.137 -9.234 1.00 0.00 H new ATOM 865 N THR A 60 6.372 -9.178 -8.284 1.00 0.00 N ATOM 866 CA THR A 60 7.804 -8.961 -8.138 1.00 0.00 C ATOM 867 C THR A 60 8.130 -7.472 -7.940 1.00 0.00 C ATOM 868 O THR A 60 9.265 -7.034 -8.129 1.00 0.00 O ATOM 869 CB THR A 60 8.555 -9.538 -9.368 1.00 0.00 C ATOM 870 OG1 THR A 60 9.973 -9.352 -9.250 1.00 0.00 O ATOM 871 CG2 THR A 60 8.059 -8.904 -10.658 1.00 0.00 C ATOM 0 H THR A 60 6.050 -9.162 -9.252 1.00 0.00 H new ATOM 0 HA THR A 60 8.141 -9.485 -7.244 1.00 0.00 H new ATOM 0 HB THR A 60 8.347 -10.608 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.155 -8.495 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.602 -9.327 -11.503 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.994 -9.103 -10.775 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.225 -7.827 -10.622 1.00 0.00 H new ATOM 879 N ALA A 61 7.132 -6.694 -7.544 1.00 0.00 N ATOM 880 CA ALA A 61 7.347 -5.290 -7.227 1.00 0.00 C ATOM 881 C ALA A 61 7.647 -5.145 -5.746 1.00 0.00 C ATOM 882 O ALA A 61 7.415 -6.074 -4.971 1.00 0.00 O ATOM 883 CB ALA A 61 6.137 -4.455 -7.605 1.00 0.00 C ATOM 0 H ALA A 61 6.169 -7.011 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 61 8.197 -4.927 -7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.324 -3.410 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.952 -4.547 -8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.265 -4.808 -7.054 1.00 0.00 H new ATOM 889 N ASN A 62 8.173 -4.000 -5.351 1.00 0.00 N ATOM 890 CA ASN A 62 8.529 -3.785 -3.956 1.00 0.00 C ATOM 891 C ASN A 62 8.394 -2.327 -3.553 1.00 0.00 C ATOM 892 O ASN A 62 8.916 -1.928 -2.520 1.00 0.00 O ATOM 893 CB ASN A 62 9.958 -4.259 -3.683 1.00 0.00 C ATOM 894 CG ASN A 62 11.010 -3.456 -4.433 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.761 -2.930 -5.519 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.199 -3.364 -3.862 1.00 0.00 N ATOM 0 H ASN A 62 8.363 -3.210 -5.968 1.00 0.00 H new ATOM 0 HA ASN A 62 7.830 -4.370 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.157 -4.196 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.045 -5.309 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.947 -2.844 -4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.369 -3.813 -2.962 1.00 0.00 H new ATOM 903 N SER A 63 7.692 -1.530 -4.348 1.00 0.00 N ATOM 904 CA SER A 63 7.532 -0.120 -4.024 1.00 0.00 C ATOM 905 C SER A 63 6.503 0.560 -4.922 1.00 0.00 C ATOM 906 O SER A 63 6.514 0.384 -6.137 1.00 0.00 O ATOM 907 CB SER A 63 8.881 0.599 -4.128 1.00 0.00 C ATOM 908 OG SER A 63 9.533 0.309 -5.354 1.00 0.00 O ATOM 0 H SER A 63 7.232 -1.829 -5.208 1.00 0.00 H new ATOM 0 HA SER A 63 7.164 -0.057 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.728 1.675 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.519 0.300 -3.296 1.00 0.00 H new ATOM 0 HG SER A 63 10.389 0.784 -5.389 1.00 0.00 H new ATOM 914 N VAL A 64 5.622 1.339 -4.308 1.00 0.00 N ATOM 915 CA VAL A 64 4.609 2.092 -5.041 1.00 0.00 C ATOM 916 C VAL A 64 4.779 3.586 -4.796 1.00 0.00 C ATOM 917 O VAL A 64 5.056 4.015 -3.662 1.00 0.00 O ATOM 918 CB VAL A 64 3.165 1.688 -4.645 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.983 1.734 -3.155 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.159 2.572 -5.321 1.00 0.00 C ATOM 0 H VAL A 64 5.588 1.467 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 64 4.753 1.857 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 64 3.003 0.663 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.962 1.446 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.681 1.044 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.174 2.745 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.154 2.269 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.327 3.607 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.264 2.482 -6.402 1.00 0.00 H new ATOM 930 N THR A 65 4.647 4.367 -5.861 1.00 0.00 N ATOM 931 CA THR A 65 4.528 5.792 -5.753 1.00 0.00 C ATOM 932 C THR A 65 3.050 6.177 -5.748 1.00 0.00 C ATOM 933 O THR A 65 2.381 6.182 -6.783 1.00 0.00 O ATOM 934 CB THR A 65 5.252 6.460 -6.924 1.00 0.00 C ATOM 935 OG1 THR A 65 6.664 6.227 -6.814 1.00 0.00 O ATOM 936 CG2 THR A 65 4.973 7.959 -6.983 1.00 0.00 C ATOM 0 H THR A 65 4.621 4.017 -6.819 1.00 0.00 H new ATOM 0 HA THR A 65 4.985 6.131 -4.823 1.00 0.00 H new ATOM 0 HB THR A 65 4.875 6.019 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.126 6.654 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.505 8.395 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.903 8.125 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.311 8.429 -6.059 1.00 0.00 H new ATOM 944 N LEU A 66 2.548 6.457 -4.566 1.00 0.00 N ATOM 945 CA LEU A 66 1.174 6.871 -4.374 1.00 0.00 C ATOM 946 C LEU A 66 1.024 8.318 -4.787 1.00 0.00 C ATOM 947 O LEU A 66 1.878 9.155 -4.463 1.00 0.00 O ATOM 948 CB LEU A 66 0.763 6.753 -2.914 1.00 0.00 C ATOM 949 CG LEU A 66 1.618 5.844 -2.052 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.420 6.186 -0.603 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.266 4.397 -2.317 1.00 0.00 C ATOM 0 H LEU A 66 3.087 6.403 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 66 0.541 6.223 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.770 7.750 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.266 6.395 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 66 2.669 5.991 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.036 5.531 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.709 7.223 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.371 6.053 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.885 3.752 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.215 4.229 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.444 4.166 -3.367 1.00 0.00 H new ATOM 963 N SER A 67 -0.075 8.618 -5.449 1.00 0.00 N ATOM 964 CA SER A 67 -0.314 9.947 -5.959 1.00 0.00 C ATOM 965 C SER A 67 -1.743 10.347 -5.636 1.00 0.00 C ATOM 966 O SER A 67 -2.527 9.515 -5.161 1.00 0.00 O ATOM 967 CB SER A 67 -0.059 9.986 -7.471 1.00 0.00 C ATOM 968 OG SER A 67 -0.055 11.318 -7.966 1.00 0.00 O ATOM 0 H SER A 67 -0.821 7.951 -5.646 1.00 0.00 H new ATOM 0 HA SER A 67 0.368 10.655 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.898 9.512 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.827 9.408 -7.985 1.00 0.00 H new ATOM 0 HG SER A 67 0.112 11.308 -8.932 1.00 0.00 H new ATOM 974 N ASP A 68 -2.065 11.612 -5.875 1.00 0.00 N ATOM 975 CA ASP A 68 -3.394 12.148 -5.605 1.00 0.00 C ATOM 976 C ASP A 68 -3.693 12.125 -4.113 1.00 0.00 C ATOM 977 O ASP A 68 -4.825 11.886 -3.707 1.00 0.00 O ATOM 978 CB ASP A 68 -4.478 11.372 -6.365 1.00 0.00 C ATOM 979 CG ASP A 68 -4.363 11.513 -7.867 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.619 10.730 -8.487 1.00 0.00 O ATOM 981 OD2 ASP A 68 -5.029 12.402 -8.439 1.00 0.00 O ATOM 0 H ASP A 68 -1.413 12.295 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.404 13.181 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.416 10.317 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.459 11.724 -6.047 1.00 0.00 H new ATOM 986 N LEU A 69 -2.672 12.356 -3.294 1.00 0.00 N ATOM 987 CA LEU A 69 -2.878 12.466 -1.854 1.00 0.00 C ATOM 988 C LEU A 69 -3.277 13.892 -1.516 1.00 0.00 C ATOM 989 O LEU A 69 -3.447 14.723 -2.404 1.00 0.00 O ATOM 990 CB LEU A 69 -1.624 12.115 -1.041 1.00 0.00 C ATOM 991 CG LEU A 69 -0.759 10.976 -1.547 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.404 10.776 -0.604 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.581 9.712 -1.625 1.00 0.00 C ATOM 0 H LEU A 69 -1.705 12.470 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.659 11.753 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.002 13.008 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.938 11.874 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.381 11.216 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.028 9.958 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.996 11.690 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.029 10.535 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.958 8.895 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.963 9.464 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.417 9.863 -2.308 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.439 14.166 -0.237 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.688 15.519 0.222 1.00 0.00 C ATOM 1007 C GLN A 70 -2.633 15.923 1.238 1.00 0.00 C ATOM 1008 O GLN A 70 -2.331 15.157 2.152 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.072 15.629 0.849 1.00 0.00 C ATOM 1010 CG GLN A 70 -6.203 15.295 -0.103 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.421 16.367 -1.160 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.494 17.083 -1.547 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.649 16.492 -1.634 1.00 0.00 N ATOM 0 H GLN A 70 -3.403 13.468 0.506 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.640 16.188 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.125 14.962 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.212 16.643 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.990 14.345 -0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.123 15.160 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.392 15.883 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.853 17.197 -2.342 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.048 17.118 1.083 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.025 17.625 2.003 1.00 0.00 C ATOM 1024 C PRO A 71 -1.581 17.907 3.399 1.00 0.00 C ATOM 1025 O PRO A 71 -2.590 18.602 3.548 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.551 18.916 1.341 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.673 19.335 0.456 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.332 18.068 -0.006 1.00 0.00 C ATOM 0 HA PRO A 71 -0.228 16.898 2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.329 19.681 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.362 18.753 0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.379 19.968 0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.306 19.915 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.404 18.203 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.921 17.725 -0.956 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.926 17.354 4.415 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.374 17.539 5.781 1.00 0.00 C ATOM 1038 C GLY A 72 -2.466 16.560 6.153 1.00 0.00 C ATOM 1039 O GLY A 72 -3.369 16.883 6.929 1.00 0.00 O ATOM 0 H GLY A 72 -0.090 16.779 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.530 17.417 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.741 18.558 5.908 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.383 15.360 5.596 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.401 14.344 5.807 1.00 0.00 C ATOM 1045 C VAL A 73 -2.766 12.983 6.106 1.00 0.00 C ATOM 1046 O VAL A 73 -1.739 12.618 5.527 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.350 14.241 4.586 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.311 13.098 4.726 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.156 15.500 4.404 1.00 0.00 C ATOM 0 H VAL A 73 -1.616 15.066 4.991 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.991 14.645 6.673 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.708 14.081 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.959 13.059 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.756 12.164 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.917 13.240 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.810 15.391 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.759 15.678 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.483 16.343 4.247 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.378 12.254 7.033 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.893 10.956 7.461 1.00 0.00 C ATOM 1061 C GLN A 74 -3.287 9.890 6.454 1.00 0.00 C ATOM 1062 O GLN A 74 -4.472 9.655 6.231 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.502 10.632 8.821 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.582 9.858 9.754 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.240 8.476 9.254 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.931 7.510 9.554 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -1.158 8.372 8.497 1.00 0.00 N ATOM 0 H GLN A 74 -4.229 12.553 7.509 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.806 10.977 7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.792 11.564 9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.414 10.055 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.661 10.423 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.056 9.775 10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.611 9.203 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.871 7.461 8.139 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.300 9.244 5.858 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.565 8.239 4.841 1.00 0.00 C ATOM 1078 C TYR A 75 -2.145 6.848 5.287 1.00 0.00 C ATOM 1079 O TYR A 75 -0.990 6.615 5.635 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.866 8.600 3.533 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.734 9.410 2.606 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.911 10.773 2.796 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.390 8.802 1.546 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.718 11.508 1.951 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.196 9.531 0.698 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.358 10.881 0.905 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.162 11.609 0.062 1.00 0.00 O ATOM 0 H TYR A 75 -1.312 9.396 6.059 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.643 8.224 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.959 9.161 3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.559 7.685 3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.410 11.266 3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.268 7.741 1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.847 12.569 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.698 9.044 -0.125 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.448 11.044 -0.686 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.106 5.941 5.304 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.828 4.527 5.513 1.00 0.00 C ATOM 1099 C ASN A 76 -2.549 3.864 4.175 1.00 0.00 C ATOM 1100 O ASN A 76 -3.436 3.790 3.321 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.014 3.813 6.179 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.231 4.193 7.633 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.925 5.428 7.983 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -4.687 3.379 8.435 1.00 0.00 N flip ATOM 0 H ASN A 76 -4.094 6.159 5.175 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.962 4.449 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.921 4.037 5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.858 2.736 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.912 2.432 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.840 3.651 9.406 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.319 3.418 3.979 1.00 0.00 N ATOM 1112 CA ILE A 77 -0.975 2.651 2.794 1.00 0.00 C ATOM 1113 C ILE A 77 -1.133 1.181 3.090 1.00 0.00 C ATOM 1114 O ILE A 77 -0.444 0.627 3.948 1.00 0.00 O ATOM 1115 CB ILE A 77 0.464 2.908 2.297 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.671 4.352 1.879 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.823 2.007 1.125 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.023 5.292 3.011 1.00 0.00 C ATOM 0 H ILE A 77 -0.544 3.574 4.624 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.652 2.973 2.003 1.00 0.00 H new ATOM 0 HB ILE A 77 1.116 2.683 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.465 4.390 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.238 4.710 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.843 2.217 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.747 0.964 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.136 2.193 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.152 6.301 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.221 5.289 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.950 4.964 3.481 1.00 0.00 H new ATOM 1130 N THR A 78 -2.062 0.571 2.401 1.00 0.00 N ATOM 1131 CA THR A 78 -2.351 -0.813 2.592 1.00 0.00 C ATOM 1132 C THR A 78 -1.838 -1.633 1.409 1.00 0.00 C ATOM 1133 O THR A 78 -2.339 -1.494 0.287 1.00 0.00 O ATOM 1134 CB THR A 78 -3.860 -0.992 2.743 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.358 -0.057 3.713 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.209 -2.407 3.172 1.00 0.00 C ATOM 0 H THR A 78 -2.636 1.027 1.692 1.00 0.00 H new ATOM 0 HA THR A 78 -1.850 -1.165 3.494 1.00 0.00 H new ATOM 0 HB THR A 78 -4.324 -0.808 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.537 0.802 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.290 -2.501 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.850 -3.113 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.737 -2.623 4.131 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.838 -2.478 1.656 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.292 -3.323 0.592 1.00 0.00 C ATOM 1146 C ILE A 79 -0.974 -4.687 0.632 1.00 0.00 C ATOM 1147 O ILE A 79 -1.166 -5.265 1.700 1.00 0.00 O ATOM 1148 CB ILE A 79 1.245 -3.574 0.681 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.085 -2.333 0.943 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.748 -4.175 -0.599 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.753 -1.142 0.081 1.00 0.00 C ATOM 0 H ILE A 79 -0.395 -2.596 2.567 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.481 -2.777 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 79 1.359 -4.241 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.969 -2.049 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.135 -2.586 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.822 -4.345 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.242 -5.124 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.546 -3.493 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.406 -0.309 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.899 -1.400 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.714 -0.854 0.243 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.341 -5.186 -0.529 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.982 -6.479 -0.651 1.00 0.00 C ATOM 1165 C TYR A 80 -1.167 -7.377 -1.570 1.00 0.00 C ATOM 1166 O TYR A 80 -1.117 -7.137 -2.784 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.378 -6.332 -1.268 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.339 -5.434 -0.521 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.386 -4.061 -0.761 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.226 -5.970 0.401 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.289 -3.257 -0.095 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.134 -5.172 1.065 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.162 -3.817 0.814 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.069 -3.018 1.476 1.00 0.00 O ATOM 0 H TYR A 80 -1.203 -4.705 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.055 -6.910 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.267 -5.949 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.825 -7.323 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.707 -3.621 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.205 -7.031 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.312 -2.194 -0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.819 -5.606 1.778 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.610 -3.568 2.080 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.551 -8.411 -1.005 1.00 0.00 N ATOM 1185 CA ALA A 81 0.093 -9.441 -1.810 1.00 0.00 C ATOM 1186 C ALA A 81 -0.981 -10.392 -2.302 1.00 0.00 C ATOM 1187 O ALA A 81 -1.546 -11.159 -1.522 1.00 0.00 O ATOM 1188 CB ALA A 81 1.166 -10.188 -1.009 1.00 0.00 C ATOM 0 H ALA A 81 -0.485 -8.557 0.002 1.00 0.00 H new ATOM 0 HA ALA A 81 0.601 -8.981 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.626 -10.949 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.928 -9.483 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.708 -10.664 -0.142 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.293 -10.326 -3.584 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.417 -11.109 -4.102 1.00 0.00 C ATOM 1196 C VAL A 82 -1.921 -12.367 -4.779 1.00 0.00 C ATOM 1197 O VAL A 82 -0.934 -12.329 -5.496 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.337 -10.315 -5.075 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.590 -9.790 -6.273 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.492 -11.180 -5.547 1.00 0.00 C ATOM 0 H VAL A 82 -0.804 -9.757 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.025 -11.366 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.718 -9.462 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.277 -9.244 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.795 -9.122 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.157 -10.624 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.123 -10.606 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.102 -12.055 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.081 -11.500 -4.688 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.610 -13.471 -4.523 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.270 -14.764 -5.081 1.00 0.00 C ATOM 1212 C GLU A 83 -3.351 -15.195 -6.072 1.00 0.00 C ATOM 1213 O GLU A 83 -4.421 -14.582 -6.114 1.00 0.00 O ATOM 1214 CB GLU A 83 -2.154 -15.781 -3.954 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.761 -17.172 -4.409 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.556 -18.261 -3.722 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.691 -18.533 -4.172 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -2.059 -18.853 -2.745 1.00 0.00 O ATOM 0 H GLU A 83 -3.429 -13.489 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.317 -14.701 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.418 -15.425 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.109 -15.838 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.903 -17.250 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.700 -17.326 -4.215 1.00 0.00 H new ATOM 1225 N GLU A 84 -3.062 -16.221 -6.868 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.017 -16.783 -7.821 1.00 0.00 C ATOM 1227 C GLU A 84 -5.423 -16.882 -7.230 1.00 0.00 C ATOM 1228 O GLU A 84 -6.383 -16.373 -7.810 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.561 -18.178 -8.257 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.137 -18.220 -8.782 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.700 -19.610 -9.180 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.211 -20.354 -8.306 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.830 -19.966 -10.370 1.00 0.00 O ATOM 0 H GLU A 84 -2.155 -16.688 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.053 -16.111 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.647 -18.859 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.235 -18.545 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.053 -17.557 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.461 -17.837 -8.017 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.537 -17.517 -6.066 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.845 -17.788 -5.481 1.00 0.00 C ATOM 1242 C ASN A 85 -6.969 -17.231 -4.064 1.00 0.00 C ATOM 1243 O ASN A 85 -7.955 -17.500 -3.376 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.110 -19.300 -5.458 1.00 0.00 C ATOM 1245 CG ASN A 85 -7.164 -19.917 -6.844 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -7.589 -19.281 -7.809 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -6.730 -21.163 -6.955 1.00 0.00 N ATOM 0 H ASN A 85 -4.746 -17.850 -5.514 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.586 -17.288 -6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.328 -19.791 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.053 -19.490 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.741 -21.628 -7.863 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.385 -21.658 -6.133 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.986 -16.452 -3.618 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.996 -15.948 -2.245 1.00 0.00 C ATOM 1256 C GLN A 86 -5.514 -14.507 -2.175 1.00 0.00 C ATOM 1257 O GLN A 86 -5.082 -13.935 -3.172 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.107 -16.806 -1.342 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.493 -18.273 -1.296 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.725 -19.037 -0.242 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.177 -19.171 0.896 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -3.547 -19.514 -0.597 1.00 0.00 N ATOM 0 H GLN A 86 -5.184 -16.159 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.029 -15.996 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.075 -16.725 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.140 -16.402 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.561 -18.359 -1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.313 -18.724 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.209 -19.381 -1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -2.974 -20.015 0.082 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.604 -13.932 -0.984 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.045 -12.617 -0.702 1.00 0.00 C ATOM 1273 C GLU A 87 -4.347 -12.657 0.650 1.00 0.00 C ATOM 1274 O GLU A 87 -4.963 -13.008 1.659 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.135 -11.535 -0.679 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.835 -11.309 -2.011 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.805 -10.144 -1.958 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.992 -10.357 -1.625 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.388 -9.002 -2.235 1.00 0.00 O ATOM 0 H GLU A 87 -6.067 -14.365 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.338 -12.367 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.882 -11.807 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.688 -10.595 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.090 -11.124 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.372 -12.214 -2.296 1.00 0.00 H new ATOM 1286 N SER A 88 -3.061 -12.330 0.666 1.00 0.00 N ATOM 1287 CA SER A 88 -2.295 -12.302 1.904 1.00 0.00 C ATOM 1288 C SER A 88 -2.820 -11.223 2.846 1.00 0.00 C ATOM 1289 O SER A 88 -3.629 -10.378 2.449 1.00 0.00 O ATOM 1290 CB SER A 88 -0.821 -12.038 1.605 1.00 0.00 C ATOM 1291 OG SER A 88 -0.294 -12.993 0.701 1.00 0.00 O ATOM 0 H SER A 88 -2.526 -12.080 -0.166 1.00 0.00 H new ATOM 0 HA SER A 88 -2.402 -13.273 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.707 -11.038 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.251 -12.061 2.534 1.00 0.00 H new ATOM 0 HG SER A 88 -0.512 -12.729 -0.217 1.00 0.00 H new ATOM 1297 N THR A 89 -2.355 -11.257 4.092 1.00 0.00 N ATOM 1298 CA THR A 89 -2.706 -10.243 5.074 1.00 0.00 C ATOM 1299 C THR A 89 -2.348 -8.846 4.563 1.00 0.00 C ATOM 1300 O THR A 89 -1.446 -8.684 3.740 1.00 0.00 O ATOM 1301 CB THR A 89 -1.991 -10.514 6.413 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.694 -11.073 6.172 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.798 -11.460 7.286 1.00 0.00 C ATOM 0 H THR A 89 -1.730 -11.982 4.444 1.00 0.00 H new ATOM 0 HA THR A 89 -3.783 -10.289 5.235 1.00 0.00 H new ATOM 0 HB THR A 89 -1.889 -9.564 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.246 -11.241 7.027 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.268 -11.632 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.773 -11.019 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.933 -12.409 6.766 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.074 -7.820 5.011 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.842 -6.459 4.561 1.00 0.00 C ATOM 1313 C PRO A 90 -1.709 -5.763 5.313 1.00 0.00 C ATOM 1314 O PRO A 90 -1.592 -5.864 6.536 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.177 -5.777 4.850 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.728 -6.501 6.033 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.188 -7.903 5.975 1.00 0.00 C ATOM 0 HA PRO A 90 -2.534 -6.422 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.041 -4.717 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.850 -5.847 3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.430 -6.010 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.818 -6.505 6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.844 -8.239 6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.949 -8.610 5.645 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.873 -5.071 4.560 1.00 0.00 N ATOM 1326 CA VAL A 91 0.123 -4.178 5.115 1.00 0.00 C ATOM 1327 C VAL A 91 -0.532 -2.856 5.414 1.00 0.00 C ATOM 1328 O VAL A 91 -1.030 -2.222 4.498 1.00 0.00 O ATOM 1329 CB VAL A 91 1.209 -3.868 4.096 1.00 0.00 C ATOM 1330 CG1 VAL A 91 2.083 -2.756 4.627 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.038 -5.082 3.746 1.00 0.00 C ATOM 0 H VAL A 91 -0.868 -5.114 3.541 1.00 0.00 H new ATOM 0 HA VAL A 91 0.545 -4.659 5.997 1.00 0.00 H new ATOM 0 HB VAL A 91 0.726 -3.551 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.864 -2.529 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.476 -1.867 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.540 -3.069 5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.798 -4.805 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.521 -5.464 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.394 -5.854 3.325 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.546 -2.427 6.655 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.043 -1.098 6.938 1.00 0.00 C ATOM 1343 C VAL A 92 0.070 -0.240 7.516 1.00 0.00 C ATOM 1344 O VAL A 92 0.458 -0.398 8.675 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.243 -1.111 7.905 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.920 0.250 7.910 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.237 -2.202 7.532 1.00 0.00 C ATOM 0 H VAL A 92 -0.229 -2.960 7.465 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.389 -0.677 5.994 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.874 -1.327 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.767 0.233 8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.208 1.010 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.271 0.485 6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.073 -2.187 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.606 -2.028 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.744 -3.173 7.576 1.00 0.00 H new ATOM 1357 N ILE A 93 0.584 0.661 6.694 1.00 0.00 N ATOM 1358 CA ILE A 93 1.604 1.600 7.127 1.00 0.00 C ATOM 1359 C ILE A 93 1.073 3.020 6.997 1.00 0.00 C ATOM 1360 O ILE A 93 0.833 3.510 5.894 1.00 0.00 O ATOM 1361 CB ILE A 93 2.921 1.447 6.325 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.644 1.345 4.831 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.693 0.228 6.808 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.845 1.676 3.987 1.00 0.00 C ATOM 0 H ILE A 93 0.309 0.761 5.717 1.00 0.00 H new ATOM 0 HA ILE A 93 1.837 1.383 8.169 1.00 0.00 H new ATOM 0 HB ILE A 93 3.528 2.337 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.310 0.334 4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.827 2.019 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.616 0.132 6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.931 0.344 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.085 -0.666 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.585 1.585 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.166 2.697 4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.656 0.986 4.221 1.00 0.00 H new ATOM 1376 N GLN A 94 0.858 3.669 8.126 1.00 0.00 N ATOM 1377 CA GLN A 94 0.242 4.980 8.117 1.00 0.00 C ATOM 1378 C GLN A 94 1.287 6.077 8.288 1.00 0.00 C ATOM 1379 O GLN A 94 2.113 6.042 9.199 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.844 5.069 9.196 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.323 4.995 10.623 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.438 4.990 11.650 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.538 4.503 11.387 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.163 5.534 12.824 1.00 0.00 N ATOM 0 H GLN A 94 1.098 3.314 9.051 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.233 5.130 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.388 6.005 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.559 4.261 9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.278 4.093 10.740 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.335 5.844 10.810 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.238 5.926 13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.876 5.561 13.553 1.00 0.00 H new ATOM 1393 N GLN A 95 1.256 7.034 7.376 1.00 0.00 N ATOM 1394 CA GLN A 95 2.191 8.144 7.382 1.00 0.00 C ATOM 1395 C GLN A 95 1.441 9.424 7.000 1.00 0.00 C ATOM 1396 O GLN A 95 0.625 9.415 6.074 1.00 0.00 O ATOM 1397 CB GLN A 95 3.322 7.823 6.392 1.00 0.00 C ATOM 1398 CG GLN A 95 4.642 8.551 6.637 1.00 0.00 C ATOM 1399 CD GLN A 95 4.623 10.039 6.329 1.00 0.00 C ATOM 1400 OE1 GLN A 95 3.819 10.457 5.363 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 5.343 10.814 6.954 1.00 0.00 N flip ATOM 0 H GLN A 95 0.582 7.062 6.611 1.00 0.00 H new ATOM 0 HA GLN A 95 2.628 8.296 8.369 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.510 6.750 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.978 8.062 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.926 8.415 7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.417 8.080 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.952 10.461 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.332 11.810 6.734 1.00 0.00 H new ATOM 1410 N GLU A 96 1.673 10.509 7.735 1.00 0.00 N ATOM 1411 CA GLU A 96 1.025 11.785 7.432 1.00 0.00 C ATOM 1412 C GLU A 96 1.824 12.563 6.407 1.00 0.00 C ATOM 1413 O GLU A 96 3.021 12.792 6.582 1.00 0.00 O ATOM 1414 CB GLU A 96 0.852 12.648 8.683 1.00 0.00 C ATOM 1415 CG GLU A 96 -0.160 12.101 9.663 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.454 13.052 10.799 1.00 0.00 C ATOM 1417 OE1 GLU A 96 0.350 13.127 11.749 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -1.499 13.732 10.748 1.00 0.00 O ATOM 0 H GLU A 96 2.300 10.532 8.539 1.00 0.00 H new ATOM 0 HA GLU A 96 0.039 11.549 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.815 12.743 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.549 13.651 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.087 11.878 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.209 11.160 10.070 1.00 0.00 H new ATOM 1425 N THR A 97 1.156 12.964 5.339 1.00 0.00 N ATOM 1426 CA THR A 97 1.794 13.722 4.283 1.00 0.00 C ATOM 1427 C THR A 97 2.434 14.985 4.850 1.00 0.00 C ATOM 1428 O THR A 97 1.762 15.834 5.439 1.00 0.00 O ATOM 1429 CB THR A 97 0.782 14.091 3.181 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.356 14.726 3.766 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.331 12.855 2.418 1.00 0.00 C ATOM 0 H THR A 97 0.166 12.774 5.182 1.00 0.00 H new ATOM 0 HA THR A 97 2.571 13.098 3.841 1.00 0.00 H new ATOM 0 HB THR A 97 1.271 14.771 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.099 14.720 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.383 13.144 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.195 12.379 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.143 12.155 3.106 1.00 0.00 H new ATOM 1439 N THR A 98 3.744 15.082 4.681 1.00 0.00 N ATOM 1440 CA THR A 98 4.512 16.203 5.190 1.00 0.00 C ATOM 1441 C THR A 98 4.139 17.458 4.434 1.00 0.00 C ATOM 1442 O THR A 98 4.171 18.566 4.968 1.00 0.00 O ATOM 1443 CB THR A 98 6.018 15.945 5.010 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.357 14.662 5.552 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.852 17.023 5.690 1.00 0.00 C ATOM 0 H THR A 98 4.302 14.385 4.187 1.00 0.00 H new ATOM 0 HA THR A 98 4.290 16.324 6.250 1.00 0.00 H new ATOM 0 HB THR A 98 6.239 15.967 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.316 14.500 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.911 16.810 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.614 17.995 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.629 17.037 6.757 1.00 0.00 H new