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 25 SER OG : rot -10:sc= 0.585 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 SER OG : rot 72:sc= 1.21 USER MOD Set 2.2: A 52 SER OG : rot 29:sc= 1.09 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -61:sc= 1.01 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 62:sc= -3.94! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.52! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 60 THR OG1 : rot -32:sc= 0.536 USER MOD Single : A 62 ASN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 63 SER OG : rot 30:sc= 0.12 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 74 GLN : amide:sc= -3.88! C(o=-3.9!,f=-7.4!) USER MOD Single : A 75 TYR OH : rot 171:sc= -0.598 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.654 F(o=-1.5!,f=-0.65) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 15:sc= -0.0384 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 88 SER OG : rot 67:sc= 1.03 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.179 F(o=-1.3,f=-0.18) USER MOD Single : A 97 THR OG1 : rot -166:sc= 1.47 USER MOD Single : A 98 THR OG1 : rot 140:sc= 0.457 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.946 -11.755 4.100 1.00 0.00 N ATOM 142 CA ALA A 12 2.076 -10.398 3.593 1.00 0.00 C ATOM 143 C ALA A 12 3.496 -9.897 3.821 1.00 0.00 C ATOM 144 O ALA A 12 4.209 -10.419 4.683 1.00 0.00 O ATOM 145 CB ALA A 12 1.088 -9.487 4.296 1.00 0.00 C ATOM 0 HA ALA A 12 1.863 -10.394 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.191 -8.472 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.073 -9.842 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.288 -9.491 5.367 1.00 0.00 H new ATOM 151 N PRO A 13 3.935 -8.887 3.055 1.00 0.00 N ATOM 152 CA PRO A 13 5.262 -8.295 3.226 1.00 0.00 C ATOM 153 C PRO A 13 5.421 -7.637 4.592 1.00 0.00 C ATOM 154 O PRO A 13 4.550 -6.875 5.023 1.00 0.00 O ATOM 155 CB PRO A 13 5.329 -7.232 2.123 1.00 0.00 C ATOM 156 CG PRO A 13 4.290 -7.635 1.140 1.00 0.00 C ATOM 157 CD PRO A 13 3.194 -8.238 1.959 1.00 0.00 C ATOM 0 HA PRO A 13 6.051 -9.044 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.131 -6.237 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.317 -7.201 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.931 -6.777 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.685 -8.352 0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.501 -7.482 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.607 -8.955 1.386 1.00 0.00 H new ATOM 165 N PRO A 14 6.519 -7.952 5.301 1.00 0.00 N ATOM 166 CA PRO A 14 6.875 -7.284 6.553 1.00 0.00 C ATOM 167 C PRO A 14 6.825 -5.773 6.400 1.00 0.00 C ATOM 168 O PRO A 14 7.151 -5.250 5.328 1.00 0.00 O ATOM 169 CB PRO A 14 8.305 -7.758 6.812 1.00 0.00 C ATOM 170 CG PRO A 14 8.384 -9.087 6.149 1.00 0.00 C ATOM 171 CD PRO A 14 7.488 -9.003 4.943 1.00 0.00 C ATOM 0 HA PRO A 14 6.192 -7.520 7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.035 -7.063 6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.510 -7.835 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.409 -9.318 5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.058 -9.879 6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.048 -8.742 4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.993 -9.954 4.745 1.00 0.00 H new ATOM 179 N ASP A 15 6.431 -5.102 7.490 1.00 0.00 N ATOM 180 CA ASP A 15 6.098 -3.674 7.492 1.00 0.00 C ATOM 181 C ASP A 15 6.981 -2.866 6.545 1.00 0.00 C ATOM 182 O ASP A 15 8.166 -2.644 6.797 1.00 0.00 O ATOM 183 CB ASP A 15 6.182 -3.103 8.917 1.00 0.00 C ATOM 184 CG ASP A 15 7.558 -3.240 9.545 1.00 0.00 C ATOM 185 OD1 ASP A 15 7.961 -4.379 9.863 1.00 0.00 O ATOM 186 OD2 ASP A 15 8.244 -2.211 9.727 1.00 0.00 O ATOM 0 H ASP A 15 6.334 -5.542 8.405 1.00 0.00 H new ATOM 0 HA ASP A 15 5.074 -3.587 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.905 -2.049 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.452 -3.611 9.547 1.00 0.00 H new ATOM 191 N PRO A 16 6.400 -2.441 5.416 1.00 0.00 N ATOM 192 CA PRO A 16 7.094 -1.637 4.405 1.00 0.00 C ATOM 193 C PRO A 16 7.442 -0.253 4.919 1.00 0.00 C ATOM 194 O PRO A 16 6.761 0.297 5.786 1.00 0.00 O ATOM 195 CB PRO A 16 6.079 -1.551 3.250 1.00 0.00 C ATOM 196 CG PRO A 16 5.144 -2.672 3.513 1.00 0.00 C ATOM 197 CD PRO A 16 5.025 -2.733 5.004 1.00 0.00 C ATOM 0 HA PRO A 16 8.046 -2.080 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.561 -0.592 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.567 -1.656 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.175 -2.496 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.527 -3.609 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.316 -2.000 5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.692 -3.711 5.350 1.00 0.00 H new ATOM 205 N THR A 17 8.511 0.296 4.388 1.00 0.00 N ATOM 206 CA THR A 17 8.983 1.600 4.807 1.00 0.00 C ATOM 207 C THR A 17 8.775 2.622 3.715 1.00 0.00 C ATOM 208 O THR A 17 9.088 2.390 2.547 1.00 0.00 O ATOM 209 CB THR A 17 10.474 1.552 5.196 1.00 0.00 C ATOM 210 OG1 THR A 17 10.730 0.393 6.002 1.00 0.00 O ATOM 211 CG2 THR A 17 10.875 2.803 5.966 1.00 0.00 C ATOM 0 H THR A 17 9.075 -0.143 3.660 1.00 0.00 H new ATOM 0 HA THR A 17 8.403 1.893 5.682 1.00 0.00 H new ATOM 0 HB THR A 17 11.064 1.502 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.679 0.367 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.931 2.745 6.229 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.703 3.683 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.278 2.878 6.875 1.00 0.00 H new ATOM 219 N VAL A 18 8.199 3.733 4.113 1.00 0.00 N ATOM 220 CA VAL A 18 8.040 4.878 3.231 1.00 0.00 C ATOM 221 C VAL A 18 9.377 5.593 3.073 1.00 0.00 C ATOM 222 O VAL A 18 9.974 6.052 4.049 1.00 0.00 O ATOM 223 CB VAL A 18 6.967 5.861 3.751 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.917 7.123 2.891 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.604 5.185 3.796 1.00 0.00 C ATOM 0 H VAL A 18 7.827 3.873 5.052 1.00 0.00 H new ATOM 0 HA VAL A 18 7.703 4.511 2.262 1.00 0.00 H new ATOM 0 HB VAL A 18 7.239 6.157 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.154 7.798 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.887 7.619 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.675 6.853 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.860 5.891 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.328 4.856 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.647 4.323 4.462 1.00 0.00 H new ATOM 235 N ASP A 19 9.844 5.660 1.836 1.00 0.00 N ATOM 236 CA ASP A 19 11.155 6.209 1.526 1.00 0.00 C ATOM 237 C ASP A 19 11.092 7.719 1.334 1.00 0.00 C ATOM 238 O ASP A 19 11.970 8.448 1.792 1.00 0.00 O ATOM 239 CB ASP A 19 11.713 5.538 0.269 1.00 0.00 C ATOM 240 CG ASP A 19 13.033 6.132 -0.177 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.969 6.204 0.644 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.143 6.518 -1.358 1.00 0.00 O ATOM 0 H ASP A 19 9.326 5.336 1.020 1.00 0.00 H new ATOM 0 HA ASP A 19 11.818 6.008 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.845 4.473 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.987 5.630 -0.539 1.00 0.00 H new ATOM 247 N GLN A 20 10.045 8.186 0.670 1.00 0.00 N ATOM 248 CA GLN A 20 9.875 9.612 0.418 1.00 0.00 C ATOM 249 C GLN A 20 8.443 10.036 0.679 1.00 0.00 C ATOM 250 O GLN A 20 7.496 9.327 0.327 1.00 0.00 O ATOM 251 CB GLN A 20 10.259 9.969 -1.020 1.00 0.00 C ATOM 252 CG GLN A 20 11.743 9.843 -1.314 1.00 0.00 C ATOM 253 CD GLN A 20 12.099 10.350 -2.695 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.394 11.532 -2.877 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.067 9.470 -3.678 1.00 0.00 N ATOM 0 H GLN A 20 9.299 7.599 0.295 1.00 0.00 H new ATOM 0 HA GLN A 20 10.537 10.146 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.708 9.323 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.944 10.992 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.308 10.401 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.042 8.799 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.818 8.500 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.292 9.760 -4.630 1.00 0.00 H new ATOM 264 N VAL A 21 8.297 11.190 1.307 1.00 0.00 N ATOM 265 CA VAL A 21 6.988 11.734 1.626 1.00 0.00 C ATOM 266 C VAL A 21 6.864 13.155 1.076 1.00 0.00 C ATOM 267 O VAL A 21 7.706 14.010 1.358 1.00 0.00 O ATOM 268 CB VAL A 21 6.743 11.758 3.155 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.298 12.099 3.465 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.129 10.432 3.796 1.00 0.00 C ATOM 0 H VAL A 21 9.077 11.773 1.609 1.00 0.00 H new ATOM 0 HA VAL A 21 6.240 11.089 1.165 1.00 0.00 H new ATOM 0 HB VAL A 21 7.378 12.535 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.150 12.110 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.060 13.081 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.644 11.351 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.946 10.480 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.532 9.630 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.186 10.235 3.617 1.00 0.00 H new ATOM 280 N ASP A 22 5.833 13.403 0.277 1.00 0.00 N ATOM 281 CA ASP A 22 5.631 14.723 -0.315 1.00 0.00 C ATOM 282 C ASP A 22 4.196 15.191 -0.098 1.00 0.00 C ATOM 283 O ASP A 22 3.525 14.739 0.829 1.00 0.00 O ATOM 284 CB ASP A 22 5.930 14.684 -1.813 1.00 0.00 C ATOM 285 CG ASP A 22 6.625 15.937 -2.292 1.00 0.00 C ATOM 286 OD1 ASP A 22 5.965 16.989 -2.366 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.834 15.875 -2.597 1.00 0.00 O ATOM 0 H ASP A 22 5.126 12.712 0.024 1.00 0.00 H new ATOM 0 HA ASP A 22 6.312 15.421 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.554 13.818 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.998 14.555 -2.364 1.00 0.00 H new ATOM 292 N ASP A 23 3.735 16.110 -0.943 1.00 0.00 N ATOM 293 CA ASP A 23 2.372 16.614 -0.864 1.00 0.00 C ATOM 294 C ASP A 23 1.344 15.602 -1.365 1.00 0.00 C ATOM 295 O ASP A 23 0.568 15.049 -0.590 1.00 0.00 O ATOM 296 CB ASP A 23 2.235 17.953 -1.621 1.00 0.00 C ATOM 297 CG ASP A 23 2.872 18.006 -3.013 1.00 0.00 C ATOM 298 OD1 ASP A 23 2.600 17.132 -3.862 1.00 0.00 O ATOM 299 OD2 ASP A 23 3.646 18.954 -3.269 1.00 0.00 O ATOM 0 H ASP A 23 4.291 16.521 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 23 2.161 16.786 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.175 18.185 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.678 18.740 -1.010 1.00 0.00 H new ATOM 304 N THR A 24 1.356 15.365 -2.652 1.00 0.00 N ATOM 305 CA THR A 24 0.377 14.529 -3.306 1.00 0.00 C ATOM 306 C THR A 24 1.049 13.279 -3.862 1.00 0.00 C ATOM 307 O THR A 24 0.683 12.770 -4.917 1.00 0.00 O ATOM 308 CB THR A 24 -0.306 15.329 -4.429 1.00 0.00 C ATOM 309 OG1 THR A 24 0.676 15.811 -5.360 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.055 16.511 -3.836 1.00 0.00 C ATOM 0 H THR A 24 2.055 15.752 -3.286 1.00 0.00 H new ATOM 0 HA THR A 24 -0.380 14.216 -2.587 1.00 0.00 H new ATOM 0 HB THR A 24 -1.006 14.675 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.300 16.408 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.537 17.074 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.812 16.150 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.354 17.158 -3.308 1.00 0.00 H new ATOM 318 N SER A 25 2.017 12.780 -3.105 1.00 0.00 N ATOM 319 CA SER A 25 2.903 11.704 -3.540 1.00 0.00 C ATOM 320 C SER A 25 3.693 11.169 -2.346 1.00 0.00 C ATOM 321 O SER A 25 4.250 11.943 -1.569 1.00 0.00 O ATOM 322 CB SER A 25 3.876 12.194 -4.624 1.00 0.00 C ATOM 323 OG SER A 25 3.184 12.663 -5.771 1.00 0.00 O ATOM 0 H SER A 25 2.213 13.113 -2.161 1.00 0.00 H new ATOM 0 HA SER A 25 2.290 10.908 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.498 12.993 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.545 11.382 -4.908 1.00 0.00 H new ATOM 0 HG SER A 25 2.235 12.431 -5.698 1.00 0.00 H new ATOM 329 N ILE A 26 3.717 9.854 -2.195 1.00 0.00 N ATOM 330 CA ILE A 26 4.447 9.201 -1.096 1.00 0.00 C ATOM 331 C ILE A 26 4.918 7.831 -1.565 1.00 0.00 C ATOM 332 O ILE A 26 4.192 7.155 -2.261 1.00 0.00 O ATOM 333 CB ILE A 26 3.561 9.042 0.176 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.349 10.388 0.874 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.166 8.046 1.152 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.453 10.302 2.094 1.00 0.00 C ATOM 0 H ILE A 26 3.238 9.205 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 26 5.297 9.829 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 26 2.594 8.661 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.317 10.790 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.916 11.092 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.523 7.959 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.256 7.073 0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.153 8.391 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.347 11.292 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.472 9.929 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.895 9.623 2.823 1.00 0.00 H new ATOM 348 N VAL A 27 6.114 7.403 -1.202 1.00 0.00 N ATOM 349 CA VAL A 27 6.630 6.161 -1.750 1.00 0.00 C ATOM 350 C VAL A 27 6.828 5.141 -0.655 1.00 0.00 C ATOM 351 O VAL A 27 7.420 5.446 0.369 1.00 0.00 O ATOM 352 CB VAL A 27 7.969 6.358 -2.466 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.387 5.058 -3.135 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.882 7.489 -3.477 1.00 0.00 C ATOM 0 H VAL A 27 6.733 7.882 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 27 5.891 5.811 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 27 8.726 6.634 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.340 5.201 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.492 4.278 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.629 4.762 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.846 7.609 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.119 7.255 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.619 8.415 -2.965 1.00 0.00 H new ATOM 364 N VAL A 28 6.352 3.926 -0.869 1.00 0.00 N ATOM 365 CA VAL A 28 6.484 2.901 0.142 1.00 0.00 C ATOM 366 C VAL A 28 7.130 1.655 -0.452 1.00 0.00 C ATOM 367 O VAL A 28 6.909 1.333 -1.620 1.00 0.00 O ATOM 368 CB VAL A 28 5.126 2.553 0.799 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.124 3.670 0.637 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.569 1.248 0.282 1.00 0.00 C ATOM 0 H VAL A 28 5.878 3.632 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 28 7.128 3.295 0.928 1.00 0.00 H new ATOM 0 HB VAL A 28 5.316 2.430 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.184 3.387 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.509 4.575 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.954 3.855 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.616 1.041 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.419 1.318 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.270 0.442 0.499 1.00 0.00 H new ATOM 380 N ARG A 29 7.928 0.972 0.361 1.00 0.00 N ATOM 381 CA ARG A 29 8.693 -0.191 -0.083 1.00 0.00 C ATOM 382 C ARG A 29 8.451 -1.371 0.840 1.00 0.00 C ATOM 383 O ARG A 29 8.743 -1.302 2.031 1.00 0.00 O ATOM 384 CB ARG A 29 10.192 0.129 -0.100 1.00 0.00 C ATOM 385 CG ARG A 29 10.578 1.311 -0.974 1.00 0.00 C ATOM 386 CD ARG A 29 12.088 1.491 -1.028 1.00 0.00 C ATOM 387 NE ARG A 29 12.774 0.261 -1.435 1.00 0.00 N ATOM 388 CZ ARG A 29 13.696 0.194 -2.396 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.041 1.279 -3.078 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.275 -0.967 -2.676 1.00 0.00 N ATOM 0 H ARG A 29 8.064 1.207 1.344 1.00 0.00 H new ATOM 0 HA ARG A 29 8.363 -0.445 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.519 0.327 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.734 -0.752 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.191 1.162 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.115 2.219 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.333 2.291 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.451 1.801 -0.048 1.00 0.00 H new ATOM 0 HE ARG A 29 12.529 -0.602 -0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.600 2.175 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.747 1.217 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.014 -1.805 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.981 -1.021 -3.411 1.00 0.00 H new ATOM 404 N TRP A 30 7.963 -2.459 0.267 1.00 0.00 N ATOM 405 CA TRP A 30 7.588 -3.647 1.031 1.00 0.00 C ATOM 406 C TRP A 30 8.485 -4.835 0.688 1.00 0.00 C ATOM 407 O TRP A 30 8.967 -4.962 -0.439 1.00 0.00 O ATOM 408 CB TRP A 30 6.109 -4.004 0.781 1.00 0.00 C ATOM 409 CG TRP A 30 5.754 -4.177 -0.656 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.911 -5.295 -1.395 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.144 -3.214 -1.508 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.484 -5.080 -2.676 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.992 -3.813 -2.767 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.720 -1.904 -1.332 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.428 -3.147 -3.845 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.157 -1.246 -2.400 1.00 0.00 C ATOM 417 CH2 TRP A 30 4.014 -1.865 -3.638 1.00 0.00 C ATOM 0 H TRP A 30 7.814 -2.548 -0.738 1.00 0.00 H new ATOM 0 HA TRP A 30 7.722 -3.419 2.088 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.875 -4.925 1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.481 -3.221 1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.316 -6.226 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.527 -5.757 -3.438 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.830 -1.412 -0.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.321 -3.624 -4.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.819 -0.228 -2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.565 -1.317 -4.453 1.00 0.00 H new ATOM 428 N SER A 31 8.707 -5.701 1.670 1.00 0.00 N ATOM 429 CA SER A 31 9.510 -6.898 1.469 1.00 0.00 C ATOM 430 C SER A 31 8.607 -8.077 1.112 1.00 0.00 C ATOM 431 O SER A 31 8.015 -8.707 1.983 1.00 0.00 O ATOM 432 CB SER A 31 10.330 -7.202 2.728 1.00 0.00 C ATOM 433 OG SER A 31 11.199 -8.306 2.531 1.00 0.00 O ATOM 0 H SER A 31 8.340 -5.595 2.616 1.00 0.00 H new ATOM 0 HA SER A 31 10.202 -6.730 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.913 -6.324 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.657 -7.412 3.559 1.00 0.00 H new ATOM 0 HG SER A 31 11.708 -8.472 3.352 1.00 0.00 H new ATOM 439 N ARG A 32 8.507 -8.344 -0.181 1.00 0.00 N ATOM 440 CA ARG A 32 7.621 -9.368 -0.728 1.00 0.00 C ATOM 441 C ARG A 32 7.790 -10.734 -0.047 1.00 0.00 C ATOM 442 O ARG A 32 8.848 -11.051 0.503 1.00 0.00 O ATOM 443 CB ARG A 32 7.861 -9.491 -2.234 1.00 0.00 C ATOM 444 CG ARG A 32 7.874 -8.145 -2.939 1.00 0.00 C ATOM 445 CD ARG A 32 9.265 -7.534 -2.983 1.00 0.00 C ATOM 446 NE ARG A 32 9.858 -7.613 -4.315 1.00 0.00 N ATOM 447 CZ ARG A 32 11.155 -7.808 -4.551 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.006 -7.986 -3.546 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.599 -7.829 -5.797 1.00 0.00 N ATOM 0 H ARG A 32 9.045 -7.850 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 32 6.596 -9.053 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.812 -9.995 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.084 -10.118 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.500 -8.265 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.195 -7.462 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.212 -6.491 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.909 -8.048 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 32 9.238 -7.512 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.668 -7.974 -2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.997 -8.135 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.949 -7.696 -6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.591 -7.978 -5.983 1.00 0.00 H new ATOM 463 N PRO A 33 6.733 -11.564 -0.106 1.00 0.00 N ATOM 464 CA PRO A 33 6.638 -12.835 0.604 1.00 0.00 C ATOM 465 C PRO A 33 7.277 -13.982 -0.161 1.00 0.00 C ATOM 466 O PRO A 33 7.502 -13.899 -1.370 1.00 0.00 O ATOM 467 CB PRO A 33 5.118 -13.078 0.693 1.00 0.00 C ATOM 468 CG PRO A 33 4.467 -11.945 -0.037 1.00 0.00 C ATOM 469 CD PRO A 33 5.531 -11.348 -0.898 1.00 0.00 C ATOM 0 HA PRO A 33 7.153 -12.793 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.850 -14.034 0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.790 -13.111 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.630 -12.298 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.070 -11.208 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.591 -11.839 -1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.354 -10.289 -1.087 1.00 0.00 H new ATOM 477 N GLN A 34 7.558 -15.057 0.562 1.00 0.00 N ATOM 478 CA GLN A 34 8.033 -16.288 -0.043 1.00 0.00 C ATOM 479 C GLN A 34 6.874 -16.997 -0.739 1.00 0.00 C ATOM 480 O GLN A 34 7.074 -17.855 -1.598 1.00 0.00 O ATOM 481 CB GLN A 34 8.659 -17.177 1.030 1.00 0.00 C ATOM 482 CG GLN A 34 9.168 -18.517 0.524 1.00 0.00 C ATOM 483 CD GLN A 34 9.868 -19.311 1.608 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.474 -18.741 2.518 1.00 0.00 O ATOM 485 NE2 GLN A 34 9.787 -20.627 1.524 1.00 0.00 N ATOM 0 H GLN A 34 7.463 -15.098 1.577 1.00 0.00 H new ATOM 0 HA GLN A 34 8.795 -16.065 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.487 -16.639 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.921 -17.355 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.332 -19.097 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.856 -18.352 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.275 -21.058 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.236 -21.212 2.229 1.00 0.00 H new ATOM 494 N ALA A 35 5.656 -16.618 -0.355 1.00 0.00 N ATOM 495 CA ALA A 35 4.449 -17.132 -0.982 1.00 0.00 C ATOM 496 C ALA A 35 4.428 -16.814 -2.466 1.00 0.00 C ATOM 497 O ALA A 35 4.811 -15.715 -2.871 1.00 0.00 O ATOM 498 CB ALA A 35 3.224 -16.515 -0.332 1.00 0.00 C ATOM 0 H ALA A 35 5.483 -15.949 0.396 1.00 0.00 H new ATOM 0 HA ALA A 35 4.439 -18.214 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.324 -16.905 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.211 -16.764 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.256 -15.432 -0.450 1.00 0.00 H new ATOM 504 N PRO A 36 3.999 -17.763 -3.307 1.00 0.00 N ATOM 505 CA PRO A 36 3.764 -17.469 -4.710 1.00 0.00 C ATOM 506 C PRO A 36 2.548 -16.567 -4.847 1.00 0.00 C ATOM 507 O PRO A 36 1.422 -16.976 -4.563 1.00 0.00 O ATOM 508 CB PRO A 36 3.493 -18.843 -5.342 1.00 0.00 C ATOM 509 CG PRO A 36 3.877 -19.850 -4.306 1.00 0.00 C ATOM 510 CD PRO A 36 3.729 -19.167 -2.978 1.00 0.00 C ATOM 0 HA PRO A 36 4.598 -16.953 -5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.444 -18.946 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.077 -18.977 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.237 -20.730 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.902 -20.190 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.730 -19.301 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.435 -19.554 -2.243 1.00 0.00 H new ATOM 518 N ILE A 37 2.780 -15.352 -5.299 1.00 0.00 N ATOM 519 CA ILE A 37 1.730 -14.355 -5.406 1.00 0.00 C ATOM 520 C ILE A 37 1.582 -13.952 -6.877 1.00 0.00 C ATOM 521 O ILE A 37 2.518 -14.115 -7.655 1.00 0.00 O ATOM 522 CB ILE A 37 2.056 -13.112 -4.526 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.360 -12.473 -5.011 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.132 -13.466 -3.023 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.168 -11.806 -3.927 1.00 0.00 C ATOM 0 H ILE A 37 3.698 -15.026 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 37 0.791 -14.775 -5.045 1.00 0.00 H new ATOM 0 HB ILE A 37 1.242 -12.395 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.973 -13.241 -5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.125 -11.735 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.362 -12.568 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.174 -13.871 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.914 -14.209 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.074 -11.380 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.577 -11.013 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.438 -12.542 -3.169 1.00 0.00 H new ATOM 537 N THR A 38 0.407 -13.472 -7.262 1.00 0.00 N ATOM 538 CA THR A 38 0.137 -13.120 -8.653 1.00 0.00 C ATOM 539 C THR A 38 0.226 -11.617 -8.913 1.00 0.00 C ATOM 540 O THR A 38 0.490 -11.200 -10.039 1.00 0.00 O ATOM 541 CB THR A 38 -1.244 -13.622 -9.106 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.241 -13.295 -8.128 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.220 -15.114 -9.348 1.00 0.00 C ATOM 0 H THR A 38 -0.378 -13.316 -6.629 1.00 0.00 H new ATOM 0 HA THR A 38 0.916 -13.615 -9.233 1.00 0.00 H new ATOM 0 HB THR A 38 -1.495 -13.125 -10.043 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.115 -13.619 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.208 -15.447 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.490 -15.345 -10.124 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.945 -15.628 -8.427 1.00 0.00 H new ATOM 551 N GLY A 39 -0.002 -10.805 -7.891 1.00 0.00 N ATOM 552 CA GLY A 39 0.078 -9.373 -8.065 1.00 0.00 C ATOM 553 C GLY A 39 0.054 -8.651 -6.746 1.00 0.00 C ATOM 554 O GLY A 39 0.183 -9.284 -5.706 1.00 0.00 O ATOM 0 H GLY A 39 -0.240 -11.113 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.993 -9.122 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.755 -9.034 -8.681 1.00 0.00 H new ATOM 558 N TYR A 40 -0.112 -7.338 -6.780 1.00 0.00 N ATOM 559 CA TYR A 40 -0.294 -6.548 -5.568 1.00 0.00 C ATOM 560 C TYR A 40 -1.382 -5.513 -5.743 1.00 0.00 C ATOM 561 O TYR A 40 -1.414 -4.794 -6.743 1.00 0.00 O ATOM 562 CB TYR A 40 0.987 -5.816 -5.170 1.00 0.00 C ATOM 563 CG TYR A 40 1.916 -6.630 -4.304 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.336 -7.886 -4.697 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.375 -6.141 -3.090 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.184 -8.631 -3.919 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.228 -6.884 -2.307 1.00 0.00 C ATOM 568 CZ TYR A 40 3.633 -8.123 -2.729 1.00 0.00 C ATOM 569 OH TYR A 40 4.489 -8.857 -1.958 1.00 0.00 O ATOM 0 H TYR A 40 -0.125 -6.791 -7.641 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.571 -7.256 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.518 -5.517 -6.074 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.721 -4.902 -4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.989 -8.289 -5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.059 -5.164 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.496 -9.613 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.577 -6.492 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 40 5.321 -9.014 -2.452 1.00 0.00 H new ATOM 579 N ARG A 41 -2.270 -5.443 -4.770 1.00 0.00 N ATOM 580 CA ARG A 41 -3.200 -4.334 -4.684 1.00 0.00 C ATOM 581 C ARG A 41 -2.675 -3.349 -3.675 1.00 0.00 C ATOM 582 O ARG A 41 -1.982 -3.733 -2.751 1.00 0.00 O ATOM 583 CB ARG A 41 -4.566 -4.788 -4.233 1.00 0.00 C ATOM 584 CG ARG A 41 -4.957 -6.144 -4.774 1.00 0.00 C ATOM 585 CD ARG A 41 -5.306 -6.087 -6.251 1.00 0.00 C ATOM 586 NE ARG A 41 -6.337 -5.085 -6.528 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.002 -4.994 -7.677 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.792 -5.881 -8.645 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.888 -4.020 -7.850 1.00 0.00 N ATOM 0 H ARG A 41 -2.367 -6.139 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.292 -3.887 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.589 -4.819 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.307 -4.053 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.137 -6.846 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.811 -6.526 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.410 -5.856 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.653 -7.066 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.560 -4.414 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.119 -6.635 -8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.304 -5.807 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.057 -3.345 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.400 -3.947 -8.729 1.00 0.00 H new ATOM 603 N ILE A 42 -2.946 -2.087 -3.863 1.00 0.00 N ATOM 604 CA ILE A 42 -2.486 -1.093 -2.907 1.00 0.00 C ATOM 605 C ILE A 42 -3.530 -0.038 -2.641 1.00 0.00 C ATOM 606 O ILE A 42 -3.747 0.829 -3.471 1.00 0.00 O ATOM 607 CB ILE A 42 -1.197 -0.418 -3.404 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.198 -1.478 -3.845 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.596 0.458 -2.314 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.986 -0.927 -4.581 1.00 0.00 C ATOM 0 H ILE A 42 -3.474 -1.717 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.288 -1.621 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.439 0.218 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.152 -2.021 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.707 -2.200 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.315 0.927 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.312 1.230 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.360 -0.154 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.652 -1.743 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.648 -0.409 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.521 -0.227 -3.938 1.00 0.00 H new ATOM 622 N VAL A 43 -4.122 -0.071 -1.459 1.00 0.00 N ATOM 623 CA VAL A 43 -5.139 0.906 -1.109 1.00 0.00 C ATOM 624 C VAL A 43 -4.613 1.852 -0.053 1.00 0.00 C ATOM 625 O VAL A 43 -4.394 1.471 1.093 1.00 0.00 O ATOM 626 CB VAL A 43 -6.450 0.262 -0.606 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.404 1.323 -0.095 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.110 -0.547 -1.707 1.00 0.00 C ATOM 0 H VAL A 43 -3.919 -0.757 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.372 1.449 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.202 -0.410 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.321 0.849 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.939 1.865 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.639 2.019 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.031 -0.991 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.340 0.105 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.434 -1.337 -2.033 1.00 0.00 H new ATOM 638 N TYR A 44 -4.401 3.082 -0.454 1.00 0.00 N ATOM 639 CA TYR A 44 -3.976 4.108 0.458 1.00 0.00 C ATOM 640 C TYR A 44 -5.080 5.111 0.629 1.00 0.00 C ATOM 641 O TYR A 44 -5.604 5.670 -0.343 1.00 0.00 O ATOM 642 CB TYR A 44 -2.664 4.767 0.009 1.00 0.00 C ATOM 643 CG TYR A 44 -2.492 4.892 -1.490 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.279 3.765 -2.273 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.512 6.129 -2.116 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.095 3.860 -3.631 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.332 6.237 -3.478 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.123 5.102 -4.232 1.00 0.00 C ATOM 649 OH TYR A 44 -1.935 5.214 -5.585 1.00 0.00 O ATOM 0 H TYR A 44 -4.518 3.396 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.766 3.652 1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.605 5.762 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.830 4.190 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.258 2.792 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.671 7.021 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.930 2.972 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.355 7.207 -3.953 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.986 6.157 -5.845 1.00 0.00 H new ATOM 659 N SER A 45 -5.439 5.293 1.880 1.00 0.00 N ATOM 660 CA SER A 45 -6.574 6.112 2.242 1.00 0.00 C ATOM 661 C SER A 45 -6.253 6.949 3.473 1.00 0.00 C ATOM 662 O SER A 45 -5.651 6.461 4.430 1.00 0.00 O ATOM 663 CB SER A 45 -7.789 5.218 2.515 1.00 0.00 C ATOM 664 OG SER A 45 -8.962 5.990 2.714 1.00 0.00 O ATOM 0 H SER A 45 -4.953 4.878 2.675 1.00 0.00 H new ATOM 0 HA SER A 45 -6.802 6.785 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.937 4.536 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.601 4.604 3.396 1.00 0.00 H new ATOM 0 HG SER A 45 -9.248 6.377 1.860 1.00 0.00 H new ATOM 670 N PRO A 46 -6.627 8.235 3.437 1.00 0.00 N ATOM 671 CA PRO A 46 -6.504 9.143 4.582 1.00 0.00 C ATOM 672 C PRO A 46 -7.210 8.615 5.822 1.00 0.00 C ATOM 673 O PRO A 46 -8.236 7.936 5.733 1.00 0.00 O ATOM 674 CB PRO A 46 -7.184 10.408 4.101 1.00 0.00 C ATOM 675 CG PRO A 46 -7.089 10.355 2.620 1.00 0.00 C ATOM 676 CD PRO A 46 -7.192 8.909 2.260 1.00 0.00 C ATOM 0 HA PRO A 46 -5.464 9.280 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.223 10.447 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.691 11.296 4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.889 10.932 2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.147 10.779 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.225 8.610 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.631 8.678 1.354 1.00 0.00 H new ATOM 744 N SER A 52 -8.291 8.768 -1.782 1.00 0.00 N ATOM 745 CA SER A 52 -7.862 7.380 -1.625 1.00 0.00 C ATOM 746 C SER A 52 -7.642 6.748 -2.990 1.00 0.00 C ATOM 747 O SER A 52 -8.363 7.052 -3.943 1.00 0.00 O ATOM 748 CB SER A 52 -8.907 6.575 -0.844 1.00 0.00 C ATOM 749 OG SER A 52 -9.307 7.260 0.334 1.00 0.00 O ATOM 0 HA SER A 52 -6.926 7.370 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.777 6.394 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.496 5.601 -0.580 1.00 0.00 H new ATOM 0 HG SER A 52 -9.215 8.226 0.198 1.00 0.00 H new ATOM 755 N THR A 53 -6.652 5.876 -3.086 1.00 0.00 N ATOM 756 CA THR A 53 -6.300 5.283 -4.369 1.00 0.00 C ATOM 757 C THR A 53 -5.825 3.834 -4.207 1.00 0.00 C ATOM 758 O THR A 53 -5.257 3.476 -3.175 1.00 0.00 O ATOM 759 CB THR A 53 -5.193 6.115 -5.052 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.553 7.506 -5.076 1.00 0.00 O ATOM 761 CG2 THR A 53 -4.937 5.639 -6.471 1.00 0.00 C ATOM 0 H THR A 53 -6.082 5.564 -2.300 1.00 0.00 H new ATOM 0 HA THR A 53 -7.196 5.282 -4.990 1.00 0.00 H new ATOM 0 HB THR A 53 -4.280 5.983 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.841 8.021 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.152 6.246 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.623 4.595 -6.454 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.851 5.734 -7.057 1.00 0.00 H new ATOM 769 N GLU A 54 -6.086 3.012 -5.222 1.00 0.00 N ATOM 770 CA GLU A 54 -5.580 1.656 -5.281 1.00 0.00 C ATOM 771 C GLU A 54 -4.692 1.477 -6.509 1.00 0.00 C ATOM 772 O GLU A 54 -5.147 1.638 -7.645 1.00 0.00 O ATOM 773 CB GLU A 54 -6.724 0.634 -5.320 1.00 0.00 C ATOM 774 CG GLU A 54 -6.237 -0.804 -5.459 1.00 0.00 C ATOM 775 CD GLU A 54 -7.361 -1.817 -5.535 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.419 -1.507 -6.122 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.187 -2.941 -5.025 1.00 0.00 O ATOM 0 H GLU A 54 -6.657 3.275 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.994 1.481 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.315 0.725 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.385 0.870 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.623 -0.886 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.597 -1.046 -4.611 1.00 0.00 H new ATOM 784 N LEU A 55 -3.425 1.156 -6.284 1.00 0.00 N ATOM 785 CA LEU A 55 -2.530 0.829 -7.384 1.00 0.00 C ATOM 786 C LEU A 55 -2.391 -0.675 -7.504 1.00 0.00 C ATOM 787 O LEU A 55 -2.651 -1.405 -6.551 1.00 0.00 O ATOM 788 CB LEU A 55 -1.147 1.509 -7.252 1.00 0.00 C ATOM 789 CG LEU A 55 -1.186 3.031 -7.383 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.206 3.605 -7.567 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.091 3.461 -8.529 1.00 0.00 C ATOM 0 H LEU A 55 -2.997 1.115 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.975 1.223 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.717 1.249 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.481 1.106 -8.015 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.597 3.426 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.143 4.689 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.823 3.347 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.654 3.191 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.099 4.549 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.719 3.041 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.104 3.102 -8.347 1.00 0.00 H new ATOM 803 N ASN A 56 -2.045 -1.134 -8.689 1.00 0.00 N ATOM 804 CA ASN A 56 -1.815 -2.548 -8.916 1.00 0.00 C ATOM 805 C ASN A 56 -0.384 -2.754 -9.363 1.00 0.00 C ATOM 806 O ASN A 56 0.008 -2.312 -10.446 1.00 0.00 O ATOM 807 CB ASN A 56 -2.776 -3.101 -9.970 1.00 0.00 C ATOM 808 CG ASN A 56 -2.647 -4.603 -10.137 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.829 -5.089 -10.919 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.462 -5.351 -9.408 1.00 0.00 N ATOM 0 H ASN A 56 -1.916 -0.547 -9.513 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.994 -3.085 -7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.800 -2.856 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.583 -2.614 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.425 -6.368 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.126 -4.910 -8.771 1.00 0.00 H new ATOM 817 N LEU A 57 0.400 -3.410 -8.533 1.00 0.00 N ATOM 818 CA LEU A 57 1.798 -3.611 -8.837 1.00 0.00 C ATOM 819 C LEU A 57 2.038 -5.063 -9.183 1.00 0.00 C ATOM 820 O LEU A 57 1.241 -5.923 -8.822 1.00 0.00 O ATOM 821 CB LEU A 57 2.698 -3.189 -7.664 1.00 0.00 C ATOM 822 CG LEU A 57 2.806 -1.689 -7.400 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.193 -1.353 -6.900 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.485 -0.878 -8.635 1.00 0.00 C ATOM 0 H LEU A 57 0.093 -3.811 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 57 2.054 -2.984 -9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.328 -3.670 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.700 -3.578 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 57 2.072 -1.430 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.263 -0.281 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.388 -1.896 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.930 -1.640 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.573 0.184 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.183 -1.136 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.467 -1.096 -8.959 1.00 0.00 H new ATOM 836 N PRO A 58 3.101 -5.351 -9.937 1.00 0.00 N ATOM 837 CA PRO A 58 3.519 -6.720 -10.180 1.00 0.00 C ATOM 838 C PRO A 58 3.735 -7.474 -8.871 1.00 0.00 C ATOM 839 O PRO A 58 4.134 -6.895 -7.861 1.00 0.00 O ATOM 840 CB PRO A 58 4.850 -6.585 -10.919 1.00 0.00 C ATOM 841 CG PRO A 58 4.900 -5.197 -11.451 1.00 0.00 C ATOM 842 CD PRO A 58 3.942 -4.366 -10.642 1.00 0.00 C ATOM 0 HA PRO A 58 2.768 -7.277 -10.741 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.687 -6.773 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.920 -7.313 -11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.911 -4.795 -11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.625 -5.181 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.471 -3.721 -9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.342 -3.717 -11.281 1.00 0.00 H new ATOM 850 N GLU A 59 3.448 -8.765 -8.907 1.00 0.00 N ATOM 851 CA GLU A 59 3.726 -9.685 -7.798 1.00 0.00 C ATOM 852 C GLU A 59 5.156 -9.536 -7.276 1.00 0.00 C ATOM 853 O GLU A 59 5.440 -9.804 -6.111 1.00 0.00 O ATOM 854 CB GLU A 59 3.523 -11.119 -8.280 1.00 0.00 C ATOM 855 CG GLU A 59 4.313 -11.445 -9.538 1.00 0.00 C ATOM 856 CD GLU A 59 4.194 -12.894 -9.943 1.00 0.00 C ATOM 857 OE1 GLU A 59 4.979 -13.720 -9.436 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.320 -13.214 -10.778 1.00 0.00 O ATOM 0 H GLU A 59 3.011 -9.216 -9.711 1.00 0.00 H new ATOM 0 HA GLU A 59 3.043 -9.445 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.815 -11.807 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.463 -11.285 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.963 -10.814 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.363 -11.203 -9.375 1.00 0.00 H new ATOM 865 N THR A 60 6.038 -9.104 -8.154 1.00 0.00 N ATOM 866 CA THR A 60 7.452 -8.998 -7.846 1.00 0.00 C ATOM 867 C THR A 60 7.826 -7.572 -7.427 1.00 0.00 C ATOM 868 O THR A 60 8.972 -7.301 -7.062 1.00 0.00 O ATOM 869 CB THR A 60 8.294 -9.433 -9.069 1.00 0.00 C ATOM 870 OG1 THR A 60 9.698 -9.331 -8.796 1.00 0.00 O ATOM 871 CG2 THR A 60 7.942 -8.595 -10.290 1.00 0.00 C ATOM 0 H THR A 60 5.796 -8.816 -9.102 1.00 0.00 H new ATOM 0 HA THR A 60 7.666 -9.661 -7.007 1.00 0.00 H new ATOM 0 HB THR A 60 8.058 -10.477 -9.276 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.858 -8.590 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.545 -8.917 -11.139 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.886 -8.723 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.143 -7.544 -10.080 1.00 0.00 H new ATOM 879 N ALA A 61 6.850 -6.670 -7.441 1.00 0.00 N ATOM 880 CA ALA A 61 7.108 -5.270 -7.132 1.00 0.00 C ATOM 881 C ALA A 61 7.396 -5.104 -5.655 1.00 0.00 C ATOM 882 O ALA A 61 6.923 -5.893 -4.839 1.00 0.00 O ATOM 883 CB ALA A 61 5.932 -4.404 -7.541 1.00 0.00 C ATOM 0 H ALA A 61 5.877 -6.883 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 61 7.982 -4.948 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.146 -3.363 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.764 -4.502 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.040 -4.724 -7.003 1.00 0.00 H new ATOM 889 N ASN A 62 8.168 -4.088 -5.310 1.00 0.00 N ATOM 890 CA ASN A 62 8.569 -3.892 -3.927 1.00 0.00 C ATOM 891 C ASN A 62 8.370 -2.456 -3.475 1.00 0.00 C ATOM 892 O ASN A 62 8.846 -2.080 -2.410 1.00 0.00 O ATOM 893 CB ASN A 62 10.037 -4.282 -3.728 1.00 0.00 C ATOM 894 CG ASN A 62 11.004 -3.328 -4.414 1.00 0.00 C ATOM 895 OD1 ASN A 62 11.313 -3.480 -5.595 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.504 -2.350 -3.675 1.00 0.00 N ATOM 0 H ASN A 62 8.527 -3.391 -5.962 1.00 0.00 H new ATOM 0 HA ASN A 62 7.931 -4.535 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.258 -4.310 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.195 -5.290 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.168 -1.692 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.225 -2.255 -2.699 1.00 0.00 H new ATOM 903 N SER A 63 7.674 -1.647 -4.259 1.00 0.00 N ATOM 904 CA SER A 63 7.510 -0.250 -3.898 1.00 0.00 C ATOM 905 C SER A 63 6.473 0.446 -4.775 1.00 0.00 C ATOM 906 O SER A 63 6.505 0.326 -5.998 1.00 0.00 O ATOM 907 CB SER A 63 8.857 0.463 -4.030 1.00 0.00 C ATOM 908 OG SER A 63 9.403 0.290 -5.330 1.00 0.00 O ATOM 0 H SER A 63 7.223 -1.926 -5.130 1.00 0.00 H new ATOM 0 HA SER A 63 7.155 -0.205 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.731 1.526 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.552 0.074 -3.286 1.00 0.00 H new ATOM 0 HG SER A 63 8.676 0.192 -5.980 1.00 0.00 H new ATOM 914 N VAL A 64 5.580 1.198 -4.148 1.00 0.00 N ATOM 915 CA VAL A 64 4.593 1.980 -4.887 1.00 0.00 C ATOM 916 C VAL A 64 4.836 3.466 -4.674 1.00 0.00 C ATOM 917 O VAL A 64 5.129 3.904 -3.552 1.00 0.00 O ATOM 918 CB VAL A 64 3.128 1.660 -4.490 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.925 1.763 -3.004 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.178 2.575 -5.205 1.00 0.00 C ATOM 0 H VAL A 64 5.516 1.285 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 64 4.719 1.707 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 64 2.923 0.632 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.888 1.532 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.582 1.056 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.158 2.775 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.155 2.336 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.399 3.609 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.289 2.446 -6.282 1.00 0.00 H new ATOM 930 N THR A 65 4.756 4.226 -5.754 1.00 0.00 N ATOM 931 CA THR A 65 4.724 5.652 -5.672 1.00 0.00 C ATOM 932 C THR A 65 3.271 6.123 -5.717 1.00 0.00 C ATOM 933 O THR A 65 2.644 6.175 -6.778 1.00 0.00 O ATOM 934 CB THR A 65 5.517 6.234 -6.842 1.00 0.00 C ATOM 935 OG1 THR A 65 6.887 5.824 -6.739 1.00 0.00 O ATOM 936 CG2 THR A 65 5.425 7.755 -6.892 1.00 0.00 C ATOM 0 H THR A 65 4.712 3.859 -6.705 1.00 0.00 H new ATOM 0 HA THR A 65 5.173 5.991 -4.738 1.00 0.00 H new ATOM 0 HB THR A 65 5.084 5.853 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.397 6.195 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.003 8.127 -7.738 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.383 8.053 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.824 8.174 -5.968 1.00 0.00 H new ATOM 944 N LEU A 66 2.741 6.424 -4.550 1.00 0.00 N ATOM 945 CA LEU A 66 1.384 6.908 -4.410 1.00 0.00 C ATOM 946 C LEU A 66 1.319 8.340 -4.878 1.00 0.00 C ATOM 947 O LEU A 66 2.248 9.114 -4.626 1.00 0.00 O ATOM 948 CB LEU A 66 0.932 6.858 -2.960 1.00 0.00 C ATOM 949 CG LEU A 66 1.627 5.835 -2.079 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.405 6.177 -0.633 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.115 4.446 -2.389 1.00 0.00 C ATOM 0 H LEU A 66 3.243 6.339 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 66 0.732 6.272 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.078 7.845 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.139 6.656 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 66 2.698 5.854 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.905 5.441 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.812 7.167 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.336 6.172 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.621 3.721 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.041 4.405 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.313 4.210 -3.434 1.00 0.00 H new ATOM 963 N SER A 67 0.214 8.699 -5.498 1.00 0.00 N ATOM 964 CA SER A 67 0.073 10.001 -6.100 1.00 0.00 C ATOM 965 C SER A 67 -1.364 10.459 -5.932 1.00 0.00 C ATOM 966 O SER A 67 -2.229 9.654 -5.572 1.00 0.00 O ATOM 967 CB SER A 67 0.467 9.944 -7.581 1.00 0.00 C ATOM 968 OG SER A 67 0.647 11.241 -8.123 1.00 0.00 O ATOM 0 H SER A 67 -0.604 8.098 -5.597 1.00 0.00 H new ATOM 0 HA SER A 67 0.735 10.715 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.388 9.372 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.304 9.418 -8.143 1.00 0.00 H new ATOM 0 HG SER A 67 0.899 11.169 -9.067 1.00 0.00 H new ATOM 974 N ASP A 68 -1.604 11.742 -6.171 1.00 0.00 N ATOM 975 CA ASP A 68 -2.924 12.338 -5.991 1.00 0.00 C ATOM 976 C ASP A 68 -3.348 12.289 -4.531 1.00 0.00 C ATOM 977 O ASP A 68 -4.529 12.140 -4.224 1.00 0.00 O ATOM 978 CB ASP A 68 -3.978 11.647 -6.864 1.00 0.00 C ATOM 979 CG ASP A 68 -3.870 12.034 -8.320 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.090 11.396 -9.059 1.00 0.00 O ATOM 981 OD2 ASP A 68 -4.566 12.982 -8.735 1.00 0.00 O ATOM 0 H ASP A 68 -0.893 12.398 -6.494 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.852 13.380 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.871 10.566 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.972 11.902 -6.497 1.00 0.00 H new ATOM 986 N LEU A 69 -2.377 12.399 -3.630 1.00 0.00 N ATOM 987 CA LEU A 69 -2.677 12.483 -2.205 1.00 0.00 C ATOM 988 C LEU A 69 -3.130 13.898 -1.877 1.00 0.00 C ATOM 989 O LEU A 69 -3.264 14.736 -2.768 1.00 0.00 O ATOM 990 CB LEU A 69 -1.468 12.131 -1.323 1.00 0.00 C ATOM 991 CG LEU A 69 -0.562 11.008 -1.805 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.586 10.836 -0.840 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.355 9.723 -1.895 1.00 0.00 C ATOM 0 H LEU A 69 -1.383 12.432 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.461 11.756 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.861 13.029 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.838 11.866 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.167 11.256 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.235 10.031 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.156 11.763 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.197 10.589 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.706 8.918 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.753 9.472 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.178 9.852 -2.598 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.381 14.164 -0.611 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.751 15.496 -0.187 1.00 0.00 C ATOM 1007 C GLN A 70 -2.800 15.974 0.907 1.00 0.00 C ATOM 1008 O GLN A 70 -2.617 15.291 1.916 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.201 15.498 0.299 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.737 16.877 0.646 1.00 0.00 C ATOM 1011 CD GLN A 70 -7.231 16.865 0.892 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.688 16.657 2.014 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -8.001 17.082 -0.161 1.00 0.00 N ATOM 0 H GLN A 70 -3.335 13.475 0.140 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.672 16.185 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.832 15.058 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.279 14.858 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.227 17.250 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.510 17.568 -0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.580 17.251 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.016 17.081 -0.060 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.149 17.131 0.696 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.197 17.694 1.660 1.00 0.00 C ATOM 1024 C PRO A 71 -1.835 17.995 3.013 1.00 0.00 C ATOM 1025 O PRO A 71 -2.939 18.544 3.086 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.713 18.986 0.999 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.699 19.288 -0.077 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.279 17.972 -0.505 1.00 0.00 C ATOM 0 HA PRO A 71 -0.394 16.990 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.663 19.800 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.289 18.863 0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.479 19.955 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.217 19.790 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.320 18.073 -0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.736 17.550 -1.351 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.133 17.629 4.078 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.636 17.853 5.417 1.00 0.00 C ATOM 1038 C GLY A 72 -2.640 16.798 5.820 1.00 0.00 C ATOM 1039 O GLY A 72 -3.593 17.081 6.547 1.00 0.00 O ATOM 0 H GLY A 72 -0.219 17.178 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.805 17.853 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.101 18.837 5.471 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.423 15.582 5.341 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.345 14.480 5.574 1.00 0.00 C ATOM 1045 C VAL A 73 -2.586 13.196 5.890 1.00 0.00 C ATOM 1046 O VAL A 73 -1.554 12.906 5.280 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.254 14.248 4.346 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.127 13.039 4.522 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.151 15.430 4.073 1.00 0.00 C ATOM 0 H VAL A 73 -1.607 15.332 4.782 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.966 14.749 6.429 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.577 14.100 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.751 12.909 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.503 12.156 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.762 13.173 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.772 15.222 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.789 15.610 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.541 16.313 3.882 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.101 12.439 6.850 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.500 11.182 7.253 1.00 0.00 C ATOM 1061 C GLN A 74 -2.932 10.074 6.311 1.00 0.00 C ATOM 1062 O GLN A 74 -4.123 9.881 6.078 1.00 0.00 O ATOM 1063 CB GLN A 74 -2.917 10.855 8.678 1.00 0.00 C ATOM 1064 CG GLN A 74 -1.751 10.518 9.588 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.097 9.195 9.248 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -1.754 8.271 8.775 1.00 0.00 O ATOM 1067 NE2 GLN A 74 0.204 9.096 9.478 1.00 0.00 N ATOM 0 H GLN A 74 -3.945 12.682 7.368 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.414 11.270 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.458 11.705 9.094 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.610 10.013 8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.007 11.312 9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.100 10.490 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.714 9.887 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.696 8.229 9.261 1.00 0.00 H new ATOM 1076 N TYR A 75 -1.969 9.349 5.773 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.254 8.358 4.751 1.00 0.00 C ATOM 1078 C TYR A 75 -1.918 6.946 5.190 1.00 0.00 C ATOM 1079 O TYR A 75 -0.760 6.601 5.397 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.507 8.694 3.465 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.357 9.480 2.503 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.522 10.850 2.643 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.020 8.837 1.471 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.324 11.559 1.772 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.825 9.538 0.602 1.00 0.00 C ATOM 1086 CZ TYR A 75 -3.973 10.897 0.755 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.784 11.593 -0.107 1.00 0.00 O ATOM 0 H TYR A 75 -0.984 9.427 6.026 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.329 8.391 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.611 9.266 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.178 7.772 2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.016 11.369 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.904 7.771 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.442 12.626 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.338 9.023 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.050 11.010 -0.849 1.00 0.00 H new ATOM 1097 N ASN A 76 -2.946 6.129 5.318 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.766 4.717 5.593 1.00 0.00 C ATOM 1099 C ASN A 76 -2.553 3.964 4.288 1.00 0.00 C ATOM 1100 O ASN A 76 -3.486 3.801 3.497 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.987 4.146 6.324 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.180 4.744 7.703 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.655 4.077 8.720 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -4.811 5.790 7.857 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.920 6.421 5.235 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.891 4.597 6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.880 4.328 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.878 3.065 6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.200 6.275 7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.945 6.172 8.793 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.324 3.530 4.056 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.006 2.736 2.881 1.00 0.00 C ATOM 1113 C ILE A 77 -1.155 1.274 3.210 1.00 0.00 C ATOM 1114 O ILE A 77 -0.464 0.742 4.084 1.00 0.00 O ATOM 1115 CB ILE A 77 0.427 2.977 2.352 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.638 4.413 1.903 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.754 2.055 1.189 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.055 5.364 3.004 1.00 0.00 C ATOM 0 H ILE A 77 -0.529 3.715 4.668 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.701 3.043 2.099 1.00 0.00 H new ATOM 0 HB ILE A 77 1.093 2.765 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.398 4.427 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.286 4.779 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.769 2.252 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.677 1.018 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.052 2.233 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.182 6.365 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.287 5.385 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.997 5.028 3.438 1.00 0.00 H new ATOM 1130 N THR A 78 -2.077 0.640 2.531 1.00 0.00 N ATOM 1131 CA THR A 78 -2.351 -0.742 2.740 1.00 0.00 C ATOM 1132 C THR A 78 -1.871 -1.568 1.546 1.00 0.00 C ATOM 1133 O THR A 78 -2.392 -1.420 0.431 1.00 0.00 O ATOM 1134 CB THR A 78 -3.851 -0.935 2.949 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.316 -0.037 3.968 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.167 -2.366 3.346 1.00 0.00 C ATOM 0 H THR A 78 -2.657 1.079 1.816 1.00 0.00 H new ATOM 0 HA THR A 78 -1.817 -1.083 3.627 1.00 0.00 H new ATOM 0 HB THR A 78 -4.359 -0.720 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.279 -0.162 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.242 -2.475 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.834 -3.044 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.652 -2.608 4.275 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.878 -2.427 1.776 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.343 -3.266 0.693 1.00 0.00 C ATOM 1146 C ILE A 79 -1.028 -4.628 0.724 1.00 0.00 C ATOM 1147 O ILE A 79 -1.301 -5.169 1.788 1.00 0.00 O ATOM 1148 CB ILE A 79 1.198 -3.512 0.758 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.026 -2.260 1.002 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.696 -4.123 -0.527 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.682 -1.087 0.127 1.00 0.00 C ATOM 0 H ILE A 79 -0.432 -2.563 2.683 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.543 -2.714 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 79 1.328 -4.180 1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.908 -1.963 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.078 -2.505 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.772 -4.286 -0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.195 -5.076 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.482 -3.449 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.327 -0.245 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.829 -1.358 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.641 -0.807 0.287 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.311 -5.170 -0.440 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.954 -6.464 -0.550 1.00 0.00 C ATOM 1165 C TYR A 80 -1.176 -7.359 -1.505 1.00 0.00 C ATOM 1166 O TYR A 80 -1.152 -7.099 -2.712 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.372 -6.314 -1.110 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.292 -5.384 -0.348 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.048 -5.854 0.717 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.436 -4.045 -0.715 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.922 -5.026 1.392 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.305 -3.213 -0.038 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.047 -3.709 1.012 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.925 -2.885 1.682 1.00 0.00 O ATOM 0 H TYR A 80 -1.103 -4.729 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.986 -6.902 0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.300 -5.959 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.834 -7.301 -1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.951 -6.885 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.859 -3.654 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.506 -5.410 2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.403 -2.178 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.192 -3.308 2.525 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.560 -8.407 -0.979 1.00 0.00 N ATOM 1185 CA ALA A 81 0.020 -9.438 -1.828 1.00 0.00 C ATOM 1186 C ALA A 81 -1.104 -10.346 -2.279 1.00 0.00 C ATOM 1187 O ALA A 81 -1.743 -10.995 -1.458 1.00 0.00 O ATOM 1188 CB ALA A 81 1.096 -10.240 -1.090 1.00 0.00 C ATOM 0 H ALA A 81 -0.449 -8.566 0.022 1.00 0.00 H new ATOM 0 HA ALA A 81 0.509 -8.974 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.505 -10.999 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.894 -9.570 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.656 -10.722 -0.217 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.386 -10.355 -3.567 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.477 -11.185 -4.071 1.00 0.00 C ATOM 1196 C VAL A 82 -1.909 -12.404 -4.759 1.00 0.00 C ATOM 1197 O VAL A 82 -0.983 -12.285 -5.548 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.439 -10.424 -5.029 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.727 -9.857 -6.232 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.568 -11.324 -5.496 1.00 0.00 C ATOM 0 H VAL A 82 -0.891 -9.812 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.076 -11.482 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.846 -9.593 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.444 -9.337 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.958 -9.158 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.264 -10.667 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.225 -10.767 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.154 -12.182 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.137 -11.671 -4.634 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.439 -13.573 -4.435 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.940 -14.814 -4.994 1.00 0.00 C ATOM 1212 C GLU A 83 -2.980 -15.456 -5.889 1.00 0.00 C ATOM 1213 O GLU A 83 -4.119 -14.995 -5.956 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.510 -15.823 -3.927 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.165 -15.227 -2.590 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.388 -14.884 -1.776 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.110 -15.818 -1.372 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -2.629 -13.690 -1.537 1.00 0.00 O ATOM 0 H GLU A 83 -3.217 -13.686 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.057 -14.546 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.313 -16.547 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.645 -16.373 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.547 -15.930 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.569 -14.327 -2.740 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.565 -16.495 -6.587 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.402 -17.188 -7.562 1.00 0.00 C ATOM 1227 C GLU A 84 -4.820 -17.457 -7.042 1.00 0.00 C ATOM 1228 O GLU A 84 -5.797 -17.290 -7.777 1.00 0.00 O ATOM 1229 CB GLU A 84 -2.728 -18.506 -7.940 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.283 -18.331 -8.384 1.00 0.00 C ATOM 1231 CD GLU A 84 -0.561 -19.647 -8.567 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -0.771 -20.310 -9.603 1.00 0.00 O ATOM 1233 OE2 GLU A 84 0.234 -20.017 -7.673 1.00 0.00 O ATOM 0 H GLU A 84 -1.629 -16.890 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.505 -16.542 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.760 -19.182 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.294 -18.980 -8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.261 -17.777 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.752 -17.730 -7.646 1.00 0.00 H new ATOM 1240 N ASN A 85 -4.940 -17.851 -5.778 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.232 -18.287 -5.253 1.00 0.00 C ATOM 1242 C ASN A 85 -6.809 -17.337 -4.203 1.00 0.00 C ATOM 1243 O ASN A 85 -8.014 -17.357 -3.952 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.122 -19.690 -4.645 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.745 -20.753 -5.661 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -6.027 -20.623 -6.853 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -5.119 -21.819 -5.193 1.00 0.00 N ATOM 0 H ASN A 85 -4.173 -17.878 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.912 -18.292 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.377 -19.677 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.074 -19.956 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.851 -22.572 -5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.904 -21.888 -4.198 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.973 -16.510 -3.585 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.407 -15.729 -2.426 1.00 0.00 C ATOM 1256 C GLN A 86 -5.792 -14.336 -2.429 1.00 0.00 C ATOM 1257 O GLN A 86 -5.049 -13.976 -3.341 1.00 0.00 O ATOM 1258 CB GLN A 86 -6.014 -16.438 -1.127 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.595 -17.830 -0.968 1.00 0.00 C ATOM 1260 CD GLN A 86 -5.986 -18.575 0.203 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.585 -17.974 1.202 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -5.899 -19.888 0.083 1.00 0.00 N ATOM 0 H GLN A 86 -5.002 -16.362 -3.860 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.491 -15.636 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.927 -16.504 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.334 -15.826 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.674 -17.758 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.429 -18.398 -1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.243 -20.347 -0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.488 -20.443 0.834 1.00 0.00 H new ATOM 1271 N GLU A 87 -6.159 -13.549 -1.427 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.526 -12.262 -1.172 1.00 0.00 C ATOM 1273 C GLU A 87 -4.981 -12.251 0.252 1.00 0.00 C ATOM 1274 O GLU A 87 -5.738 -12.427 1.212 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.526 -11.122 -1.367 1.00 0.00 C ATOM 1276 CG GLU A 87 -7.097 -11.056 -2.772 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.109 -9.947 -2.936 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -9.229 -10.078 -2.405 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.789 -8.941 -3.595 1.00 0.00 O ATOM 0 H GLU A 87 -6.902 -13.784 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.708 -12.116 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.343 -11.240 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.037 -10.176 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.285 -10.910 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.566 -12.010 -3.015 1.00 0.00 H new ATOM 1286 N SER A 88 -3.673 -12.059 0.377 1.00 0.00 N ATOM 1287 CA SER A 88 -2.984 -12.179 1.657 1.00 0.00 C ATOM 1288 C SER A 88 -3.333 -11.051 2.624 1.00 0.00 C ATOM 1289 O SER A 88 -4.090 -10.132 2.295 1.00 0.00 O ATOM 1290 CB SER A 88 -1.470 -12.217 1.437 1.00 0.00 C ATOM 1291 OG SER A 88 -1.101 -13.296 0.599 1.00 0.00 O ATOM 0 H SER A 88 -3.062 -11.817 -0.403 1.00 0.00 H new ATOM 0 HA SER A 88 -3.321 -13.111 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.141 -11.278 0.991 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.963 -12.309 2.397 1.00 0.00 H new ATOM 0 HG SER A 88 -1.446 -13.141 -0.305 1.00 0.00 H new ATOM 1297 N THR A 89 -2.762 -11.138 3.819 1.00 0.00 N ATOM 1298 CA THR A 89 -2.959 -10.148 4.861 1.00 0.00 C ATOM 1299 C THR A 89 -2.507 -8.758 4.408 1.00 0.00 C ATOM 1300 O THR A 89 -1.658 -8.619 3.527 1.00 0.00 O ATOM 1301 CB THR A 89 -2.197 -10.571 6.130 1.00 0.00 C ATOM 1302 OG1 THR A 89 -1.050 -11.356 5.771 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.095 -11.377 7.055 1.00 0.00 C ATOM 0 H THR A 89 -2.146 -11.904 4.090 1.00 0.00 H new ATOM 0 HA THR A 89 -4.025 -10.092 5.080 1.00 0.00 H new ATOM 0 HB THR A 89 -1.875 -9.670 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.568 -11.621 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.536 -11.665 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.954 -10.772 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.440 -12.272 6.538 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.104 -7.709 4.979 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.806 -6.337 4.599 1.00 0.00 C ATOM 1313 C PRO A 90 -1.622 -5.719 5.349 1.00 0.00 C ATOM 1314 O PRO A 90 -1.458 -5.897 6.558 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.098 -5.615 4.968 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.610 -6.350 6.161 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.151 -7.775 6.016 1.00 0.00 C ATOM 0 HA PRO A 90 -2.512 -6.267 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.914 -4.565 5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.815 -5.641 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.225 -5.911 7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.697 -6.296 6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.759 -8.165 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.969 -8.429 5.716 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.809 -4.993 4.602 1.00 0.00 N ATOM 1326 CA VAL A 91 0.185 -4.093 5.159 1.00 0.00 C ATOM 1327 C VAL A 91 -0.502 -2.799 5.506 1.00 0.00 C ATOM 1328 O VAL A 91 -1.134 -2.220 4.635 1.00 0.00 O ATOM 1329 CB VAL A 91 1.248 -3.721 4.121 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.944 -2.437 4.544 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.252 -4.836 3.913 1.00 0.00 C ATOM 0 H VAL A 91 -0.820 -5.012 3.582 1.00 0.00 H new ATOM 0 HA VAL A 91 0.645 -4.589 6.014 1.00 0.00 H new ATOM 0 HB VAL A 91 0.750 -3.564 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.700 -2.173 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.212 -1.633 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.420 -2.583 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.987 -4.529 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.757 -5.051 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.735 -5.731 3.565 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.384 -2.338 6.734 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.906 -1.029 7.065 1.00 0.00 C ATOM 1343 C VAL A 92 0.206 -0.145 7.614 1.00 0.00 C ATOM 1344 O VAL A 92 0.676 -0.342 8.732 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.066 -1.091 8.080 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.806 0.237 8.101 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.020 -2.232 7.755 1.00 0.00 C ATOM 0 H VAL A 92 0.059 -2.838 7.505 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.302 -0.604 6.143 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.649 -1.280 9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.624 0.186 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.118 1.032 8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.207 0.446 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.827 -2.251 8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.437 -2.085 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.480 -3.178 7.786 1.00 0.00 H new ATOM 1357 N ILE A 93 0.633 0.812 6.806 1.00 0.00 N ATOM 1358 CA ILE A 93 1.653 1.770 7.212 1.00 0.00 C ATOM 1359 C ILE A 93 1.133 3.188 7.029 1.00 0.00 C ATOM 1360 O ILE A 93 0.858 3.617 5.912 1.00 0.00 O ATOM 1361 CB ILE A 93 2.967 1.585 6.415 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.678 1.388 4.930 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.756 0.408 6.967 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.872 1.664 4.059 1.00 0.00 C ATOM 0 H ILE A 93 0.286 0.948 5.856 1.00 0.00 H new ATOM 0 HA ILE A 93 1.875 1.592 8.264 1.00 0.00 H new ATOM 0 HB ILE A 93 3.566 2.489 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.342 0.365 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.860 2.044 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.678 0.289 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.997 0.591 8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.159 -0.500 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.604 1.507 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.194 2.696 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.684 0.990 4.331 1.00 0.00 H new ATOM 1376 N GLN A 94 0.976 3.910 8.124 1.00 0.00 N ATOM 1377 CA GLN A 94 0.386 5.236 8.065 1.00 0.00 C ATOM 1378 C GLN A 94 1.451 6.328 8.124 1.00 0.00 C ATOM 1379 O GLN A 94 2.223 6.424 9.078 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.652 5.420 9.177 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.111 5.237 10.585 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.161 5.496 11.645 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.322 6.625 12.114 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.886 4.457 12.026 1.00 0.00 N ATOM 0 H GLN A 94 1.246 3.604 9.059 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.122 5.328 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.081 6.419 9.094 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.464 4.710 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.270 4.222 10.696 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.731 5.912 10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.720 3.540 11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.611 4.573 12.734 1.00 0.00 H new ATOM 1393 N GLN A 95 1.480 7.145 7.086 1.00 0.00 N ATOM 1394 CA GLN A 95 2.399 8.262 6.994 1.00 0.00 C ATOM 1395 C GLN A 95 1.648 9.503 6.526 1.00 0.00 C ATOM 1396 O GLN A 95 0.885 9.442 5.566 1.00 0.00 O ATOM 1397 CB GLN A 95 3.527 7.939 6.010 1.00 0.00 C ATOM 1398 CG GLN A 95 4.915 7.937 6.637 1.00 0.00 C ATOM 1399 CD GLN A 95 5.282 9.250 7.310 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.734 10.355 6.825 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.054 9.270 8.266 1.00 0.00 N flip ATOM 0 H GLN A 95 0.863 7.050 6.280 1.00 0.00 H new ATOM 0 HA GLN A 95 2.832 8.448 7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.339 6.962 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.507 8.667 5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.971 7.134 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.652 7.715 5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.458 8.400 8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.291 10.156 8.712 1.00 0.00 H new ATOM 1410 N GLU A 96 1.854 10.618 7.205 1.00 0.00 N ATOM 1411 CA GLU A 96 1.191 11.861 6.844 1.00 0.00 C ATOM 1412 C GLU A 96 1.999 12.602 5.793 1.00 0.00 C ATOM 1413 O GLU A 96 3.228 12.597 5.819 1.00 0.00 O ATOM 1414 CB GLU A 96 0.993 12.737 8.081 1.00 0.00 C ATOM 1415 CG GLU A 96 0.241 14.029 7.813 1.00 0.00 C ATOM 1416 CD GLU A 96 0.098 14.886 9.050 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.788 14.601 9.882 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.873 15.856 9.193 1.00 0.00 O ATOM 0 H GLU A 96 2.476 10.689 8.010 1.00 0.00 H new ATOM 0 HA GLU A 96 0.212 11.626 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.453 12.165 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.969 12.978 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.763 14.595 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.749 13.794 7.422 1.00 0.00 H new ATOM 1425 N THR A 97 1.293 13.221 4.865 1.00 0.00 N ATOM 1426 CA THR A 97 1.913 13.939 3.769 1.00 0.00 C ATOM 1427 C THR A 97 2.633 15.190 4.263 1.00 0.00 C ATOM 1428 O THR A 97 2.102 15.952 5.072 1.00 0.00 O ATOM 1429 CB THR A 97 0.853 14.324 2.724 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.241 14.992 3.368 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.342 13.086 2.005 1.00 0.00 C ATOM 0 H THR A 97 0.273 13.240 4.851 1.00 0.00 H new ATOM 0 HA THR A 97 2.651 13.281 3.311 1.00 0.00 H new ATOM 0 HB THR A 97 1.309 14.992 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.006 15.032 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.408 13.376 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.171 12.589 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.105 12.404 2.728 1.00 0.00 H new ATOM 1439 N THR A 98 3.850 15.384 3.769 1.00 0.00 N ATOM 1440 CA THR A 98 4.690 16.504 4.170 1.00 0.00 C ATOM 1441 C THR A 98 4.138 17.812 3.623 1.00 0.00 C ATOM 1442 O THR A 98 4.331 18.876 4.211 1.00 0.00 O ATOM 1443 CB THR A 98 6.122 16.315 3.641 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.575 14.984 3.921 1.00 0.00 O ATOM 1445 CG2 THR A 98 7.080 17.319 4.266 1.00 0.00 C ATOM 0 H THR A 98 4.282 14.769 3.079 1.00 0.00 H new ATOM 0 HA THR A 98 4.700 16.540 5.259 1.00 0.00 H new ATOM 0 HB THR A 98 6.106 16.480 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.076 14.641 3.152 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.083 17.159 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.753 18.331 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.090 17.187 5.348 1.00 0.00 H new