USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=22 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= 0 K(o=-0.078,f=-0.89) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.0779 K(o=-0.078,f=-2.8!) USER MOD Set 2.1: A 62 ASN : amide:sc= 0 K(o=-1.1,f=-1.6) USER MOD Set 2.2: A 63 SER OG : rot -20:sc= -1.07! USER MOD Set 3.1: A 45 SER OG : rot 46:sc= 1.23 USER MOD Set 3.2: A 52 SER OG : rot 33:sc= 1.05 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 1.24 K(o=1.2,f=-0.035) USER MOD Single : A 24 THR OG1 : rot -75:sc= 1.05 USER MOD Single : A 25 SER OG : rot 180:sc= -0.293 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00826 USER MOD Single : A 40 TYR OH : rot 29:sc= -5.39! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.46! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 60 THR OG1 : rot -37:sc= 0.929 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 70:sc= 0.925 USER MOD Single : A 78 THR OG1 : rot 89:sc= 0.00269 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.859 K(o=-0.86,f=-5.6!) USER MOD Single : A 86 GLN : amide:sc= -0.0798 X(o=-0.08,f=0.12) USER MOD Single : A 88 SER OG : rot 78:sc= -0.0172 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.296! C(o=-0.3!,f=-4.3!) USER MOD Single : A 95 GLN :FLIP amide:sc= -3 F(o=-5!,f=-3) USER MOD Single : A 97 THR OG1 : rot -170:sc= 2.4 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.01 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.516 -12.096 4.253 1.00 0.00 N ATOM 142 CA ALA A 12 2.460 -10.726 3.764 1.00 0.00 C ATOM 143 C ALA A 12 3.841 -10.096 3.868 1.00 0.00 C ATOM 144 O ALA A 12 4.692 -10.603 4.599 1.00 0.00 O ATOM 145 CB ALA A 12 1.463 -9.936 4.589 1.00 0.00 C ATOM 0 HA ALA A 12 2.143 -10.719 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.420 -8.910 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.477 -10.393 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.774 -9.936 5.634 1.00 0.00 H new ATOM 151 N PRO A 13 4.097 -8.989 3.154 1.00 0.00 N ATOM 152 CA PRO A 13 5.366 -8.280 3.264 1.00 0.00 C ATOM 153 C PRO A 13 5.484 -7.569 4.605 1.00 0.00 C ATOM 154 O PRO A 13 4.574 -6.837 5.002 1.00 0.00 O ATOM 155 CB PRO A 13 5.308 -7.251 2.122 1.00 0.00 C ATOM 156 CG PRO A 13 4.181 -7.693 1.256 1.00 0.00 C ATOM 157 CD PRO A 13 3.206 -8.333 2.187 1.00 0.00 C ATOM 0 HA PRO A 13 6.223 -8.950 3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.138 -6.245 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.245 -7.226 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.731 -6.849 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.520 -8.396 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.555 -7.600 2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.561 -9.048 1.675 1.00 0.00 H new ATOM 165 N PRO A 14 6.585 -7.812 5.340 1.00 0.00 N ATOM 166 CA PRO A 14 6.889 -7.092 6.577 1.00 0.00 C ATOM 167 C PRO A 14 6.741 -5.595 6.396 1.00 0.00 C ATOM 168 O PRO A 14 7.043 -5.067 5.320 1.00 0.00 O ATOM 169 CB PRO A 14 8.345 -7.463 6.852 1.00 0.00 C ATOM 170 CG PRO A 14 8.512 -8.807 6.235 1.00 0.00 C ATOM 171 CD PRO A 14 7.602 -8.836 5.036 1.00 0.00 C ATOM 0 HA PRO A 14 6.216 -7.355 7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.029 -6.737 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.552 -7.489 7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.548 -8.974 5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.250 -9.595 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.142 -8.603 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.151 -9.819 4.900 1.00 0.00 H new ATOM 179 N ASP A 15 6.290 -4.940 7.470 1.00 0.00 N ATOM 180 CA ASP A 15 5.863 -3.538 7.452 1.00 0.00 C ATOM 181 C ASP A 15 6.707 -2.697 6.504 1.00 0.00 C ATOM 182 O ASP A 15 7.871 -2.400 6.785 1.00 0.00 O ATOM 183 CB ASP A 15 5.934 -2.956 8.863 1.00 0.00 C ATOM 184 CG ASP A 15 5.252 -1.609 8.971 1.00 0.00 C ATOM 185 OD1 ASP A 15 4.015 -1.586 9.158 1.00 0.00 O ATOM 186 OD2 ASP A 15 5.942 -0.567 8.886 1.00 0.00 O ATOM 0 H ASP A 15 6.210 -5.375 8.389 1.00 0.00 H new ATOM 0 HA ASP A 15 4.835 -3.511 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.470 -3.651 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.978 -2.855 9.159 1.00 0.00 H new ATOM 191 N PRO A 16 6.124 -2.328 5.355 1.00 0.00 N ATOM 192 CA PRO A 16 6.794 -1.523 4.329 1.00 0.00 C ATOM 193 C PRO A 16 7.075 -0.110 4.807 1.00 0.00 C ATOM 194 O PRO A 16 6.303 0.472 5.567 1.00 0.00 O ATOM 195 CB PRO A 16 5.793 -1.514 3.158 1.00 0.00 C ATOM 196 CG PRO A 16 4.890 -2.658 3.449 1.00 0.00 C ATOM 197 CD PRO A 16 4.764 -2.681 4.942 1.00 0.00 C ATOM 0 HA PRO A 16 7.768 -1.933 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.244 -0.574 3.110 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.298 -1.638 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.919 -2.525 2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.304 -3.594 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.027 -1.964 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.464 -3.661 5.313 1.00 0.00 H new ATOM 205 N THR A 17 8.178 0.434 4.348 1.00 0.00 N ATOM 206 CA THR A 17 8.621 1.745 4.781 1.00 0.00 C ATOM 207 C THR A 17 8.385 2.775 3.705 1.00 0.00 C ATOM 208 O THR A 17 8.693 2.562 2.532 1.00 0.00 O ATOM 209 CB THR A 17 10.114 1.718 5.162 1.00 0.00 C ATOM 210 OG1 THR A 17 10.356 0.637 6.072 1.00 0.00 O ATOM 211 CG2 THR A 17 10.546 3.029 5.803 1.00 0.00 C ATOM 0 H THR A 17 8.792 -0.014 3.668 1.00 0.00 H new ATOM 0 HA THR A 17 8.038 2.019 5.660 1.00 0.00 H new ATOM 0 HB THR A 17 10.696 1.577 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.306 0.619 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.604 2.977 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.382 3.848 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.961 3.202 6.707 1.00 0.00 H new ATOM 219 N VAL A 18 7.792 3.870 4.121 1.00 0.00 N ATOM 220 CA VAL A 18 7.621 5.019 3.250 1.00 0.00 C ATOM 221 C VAL A 18 8.966 5.710 3.057 1.00 0.00 C ATOM 222 O VAL A 18 9.526 6.296 3.982 1.00 0.00 O ATOM 223 CB VAL A 18 6.575 6.015 3.794 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.506 7.253 2.906 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.207 5.350 3.897 1.00 0.00 C ATOM 0 H VAL A 18 7.417 3.993 5.061 1.00 0.00 H new ATOM 0 HA VAL A 18 7.246 4.662 2.291 1.00 0.00 H new ATOM 0 HB VAL A 18 6.880 6.326 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.764 7.945 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.481 7.740 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.224 6.960 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.482 6.067 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.892 5.010 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.267 4.496 4.572 1.00 0.00 H new ATOM 235 N ASP A 19 9.470 5.617 1.840 1.00 0.00 N ATOM 236 CA ASP A 19 10.819 6.055 1.512 1.00 0.00 C ATOM 237 C ASP A 19 10.885 7.565 1.352 1.00 0.00 C ATOM 238 O ASP A 19 11.790 8.218 1.868 1.00 0.00 O ATOM 239 CB ASP A 19 11.269 5.368 0.223 1.00 0.00 C ATOM 240 CG ASP A 19 12.631 5.825 -0.253 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.632 5.536 0.431 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.708 6.442 -1.335 1.00 0.00 O ATOM 0 H ASP A 19 8.955 5.235 1.047 1.00 0.00 H new ATOM 0 HA ASP A 19 11.485 5.780 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.290 4.290 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.535 5.561 -0.559 1.00 0.00 H new ATOM 247 N GLN A 20 9.918 8.115 0.643 1.00 0.00 N ATOM 248 CA GLN A 20 9.884 9.541 0.377 1.00 0.00 C ATOM 249 C GLN A 20 8.467 10.068 0.495 1.00 0.00 C ATOM 250 O GLN A 20 7.508 9.409 0.086 1.00 0.00 O ATOM 251 CB GLN A 20 10.462 9.833 -1.006 1.00 0.00 C ATOM 252 CG GLN A 20 11.982 9.769 -1.050 1.00 0.00 C ATOM 253 CD GLN A 20 12.527 9.785 -2.461 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.756 10.849 -3.041 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.766 8.608 -3.011 1.00 0.00 N ATOM 0 H GLN A 20 9.141 7.593 0.239 1.00 0.00 H new ATOM 0 HA GLN A 20 10.497 10.052 1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.055 9.118 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.138 10.823 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.393 10.613 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.318 8.863 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.561 7.753 -2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.155 8.555 -3.952 1.00 0.00 H new ATOM 264 N VAL A 21 8.347 11.246 1.081 1.00 0.00 N ATOM 265 CA VAL A 21 7.050 11.852 1.340 1.00 0.00 C ATOM 266 C VAL A 21 7.006 13.285 0.819 1.00 0.00 C ATOM 267 O VAL A 21 7.927 14.068 1.054 1.00 0.00 O ATOM 268 CB VAL A 21 6.737 11.870 2.853 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.369 12.477 3.124 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.834 10.476 3.448 1.00 0.00 C ATOM 0 H VAL A 21 9.140 11.808 1.390 1.00 0.00 H new ATOM 0 HA VAL A 21 6.305 11.249 0.821 1.00 0.00 H new ATOM 0 HB VAL A 21 7.486 12.497 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.177 12.476 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.345 13.501 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.603 11.889 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.609 10.519 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.120 9.818 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.843 10.089 3.306 1.00 0.00 H new ATOM 280 N ASP A 22 5.941 13.614 0.105 1.00 0.00 N ATOM 281 CA ASP A 22 5.702 14.977 -0.351 1.00 0.00 C ATOM 282 C ASP A 22 4.267 15.378 -0.044 1.00 0.00 C ATOM 283 O ASP A 22 3.615 14.767 0.803 1.00 0.00 O ATOM 284 CB ASP A 22 5.973 15.111 -1.855 1.00 0.00 C ATOM 285 CG ASP A 22 7.441 15.290 -2.177 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.951 16.423 -2.034 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.092 14.306 -2.583 1.00 0.00 O ATOM 0 H ASP A 22 5.220 12.948 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 22 6.386 15.641 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.600 14.224 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.415 15.962 -2.245 1.00 0.00 H new ATOM 292 N ASP A 23 3.791 16.418 -0.711 1.00 0.00 N ATOM 293 CA ASP A 23 2.418 16.875 -0.563 1.00 0.00 C ATOM 294 C ASP A 23 1.421 15.918 -1.211 1.00 0.00 C ATOM 295 O ASP A 23 0.651 15.247 -0.529 1.00 0.00 O ATOM 296 CB ASP A 23 2.278 18.277 -1.165 1.00 0.00 C ATOM 297 CG ASP A 23 2.973 18.420 -2.512 1.00 0.00 C ATOM 298 OD1 ASP A 23 4.192 18.707 -2.523 1.00 0.00 O ATOM 299 OD2 ASP A 23 2.311 18.254 -3.558 1.00 0.00 O ATOM 0 H ASP A 23 4.344 16.968 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 23 2.187 16.905 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.220 18.512 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.692 19.008 -0.470 1.00 0.00 H new ATOM 304 N THR A 24 1.452 15.853 -2.527 1.00 0.00 N ATOM 305 CA THR A 24 0.472 15.103 -3.291 1.00 0.00 C ATOM 306 C THR A 24 1.081 13.819 -3.863 1.00 0.00 C ATOM 307 O THR A 24 0.751 13.395 -4.968 1.00 0.00 O ATOM 308 CB THR A 24 -0.064 15.994 -4.423 1.00 0.00 C ATOM 309 OG1 THR A 24 1.023 16.437 -5.245 1.00 0.00 O ATOM 310 CG2 THR A 24 -0.775 17.206 -3.840 1.00 0.00 C ATOM 0 H THR A 24 2.157 16.318 -3.098 1.00 0.00 H new ATOM 0 HA THR A 24 -0.346 14.811 -2.632 1.00 0.00 H new ATOM 0 HB THR A 24 -0.767 15.416 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.521 17.139 -4.778 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.151 17.831 -4.650 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.608 16.876 -3.219 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.076 17.781 -3.233 1.00 0.00 H new ATOM 318 N SER A 25 1.961 13.202 -3.082 1.00 0.00 N ATOM 319 CA SER A 25 2.725 12.040 -3.524 1.00 0.00 C ATOM 320 C SER A 25 3.506 11.438 -2.353 1.00 0.00 C ATOM 321 O SER A 25 4.032 12.168 -1.510 1.00 0.00 O ATOM 322 CB SER A 25 3.670 12.417 -4.670 1.00 0.00 C ATOM 323 OG SER A 25 4.435 13.567 -4.344 1.00 0.00 O ATOM 0 H SER A 25 2.165 13.492 -2.126 1.00 0.00 H new ATOM 0 HA SER A 25 2.027 11.289 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.337 11.582 -4.885 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.092 12.605 -5.575 1.00 0.00 H new ATOM 0 HG SER A 25 5.031 13.786 -5.091 1.00 0.00 H new ATOM 329 N ILE A 26 3.563 10.115 -2.299 1.00 0.00 N ATOM 330 CA ILE A 26 4.305 9.395 -1.256 1.00 0.00 C ATOM 331 C ILE A 26 4.816 8.078 -1.838 1.00 0.00 C ATOM 332 O ILE A 26 4.257 7.600 -2.806 1.00 0.00 O ATOM 333 CB ILE A 26 3.404 9.121 -0.016 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.182 10.393 0.791 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.993 8.053 0.891 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.238 10.196 1.955 1.00 0.00 C ATOM 0 H ILE A 26 3.099 9.505 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 26 5.144 10.008 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 26 2.449 8.762 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.141 10.752 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.785 11.168 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.332 7.894 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.099 7.121 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.971 8.377 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.120 11.138 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.268 9.865 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.645 9.443 2.630 1.00 0.00 H new ATOM 348 N VAL A 27 5.874 7.494 -1.294 1.00 0.00 N ATOM 349 CA VAL A 27 6.362 6.234 -1.822 1.00 0.00 C ATOM 350 C VAL A 27 6.509 5.224 -0.709 1.00 0.00 C ATOM 351 O VAL A 27 7.069 5.537 0.334 1.00 0.00 O ATOM 352 CB VAL A 27 7.725 6.386 -2.501 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.127 5.067 -3.141 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.702 7.505 -3.527 1.00 0.00 C ATOM 0 H VAL A 27 6.400 7.865 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 27 5.632 5.899 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 27 8.466 6.652 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.098 5.178 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.189 4.295 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.383 4.781 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.683 7.591 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.955 7.284 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.451 8.445 -3.035 1.00 0.00 H new ATOM 364 N VAL A 28 6.027 4.011 -0.920 1.00 0.00 N ATOM 365 CA VAL A 28 6.146 2.992 0.102 1.00 0.00 C ATOM 366 C VAL A 28 6.824 1.756 -0.474 1.00 0.00 C ATOM 367 O VAL A 28 6.630 1.432 -1.642 1.00 0.00 O ATOM 368 CB VAL A 28 4.777 2.628 0.725 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.760 3.725 0.520 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.262 1.302 0.220 1.00 0.00 C ATOM 0 H VAL A 28 5.558 3.713 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 28 6.761 3.397 0.906 1.00 0.00 H new ATOM 0 HB VAL A 28 4.937 2.526 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.812 3.432 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.116 4.643 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.617 3.893 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.299 1.086 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.143 1.346 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.972 0.515 0.475 1.00 0.00 H new ATOM 380 N ARG A 29 7.620 1.084 0.347 1.00 0.00 N ATOM 381 CA ARG A 29 8.426 -0.049 -0.105 1.00 0.00 C ATOM 382 C ARG A 29 8.237 -1.241 0.819 1.00 0.00 C ATOM 383 O ARG A 29 8.541 -1.167 2.009 1.00 0.00 O ATOM 384 CB ARG A 29 9.910 0.343 -0.141 1.00 0.00 C ATOM 385 CG ARG A 29 10.181 1.639 -0.891 1.00 0.00 C ATOM 386 CD ARG A 29 11.648 2.040 -0.834 1.00 0.00 C ATOM 387 NE ARG A 29 12.517 1.107 -1.548 1.00 0.00 N ATOM 388 CZ ARG A 29 13.389 1.474 -2.492 1.00 0.00 C ATOM 389 NH1 ARG A 29 13.479 2.743 -2.870 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.168 0.565 -3.060 1.00 0.00 N ATOM 0 H ARG A 29 7.727 1.304 1.337 1.00 0.00 H new ATOM 0 HA ARG A 29 8.100 -0.325 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.276 0.441 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.478 -0.462 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.877 1.525 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.571 2.437 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.765 3.037 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.964 2.099 0.208 1.00 0.00 H new ATOM 0 HE ARG A 29 12.454 0.117 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.880 3.447 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.147 3.014 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.101 -0.413 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.834 0.843 -3.781 1.00 0.00 H new ATOM 404 N TRP A 30 7.778 -2.344 0.247 1.00 0.00 N ATOM 405 CA TRP A 30 7.443 -3.547 1.012 1.00 0.00 C ATOM 406 C TRP A 30 8.404 -4.693 0.712 1.00 0.00 C ATOM 407 O TRP A 30 8.910 -4.827 -0.407 1.00 0.00 O ATOM 408 CB TRP A 30 5.990 -3.984 0.727 1.00 0.00 C ATOM 409 CG TRP A 30 5.673 -4.161 -0.720 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.925 -5.251 -1.483 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.007 -3.226 -1.565 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.497 -5.041 -2.768 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.913 -3.809 -2.839 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.484 -1.952 -1.369 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.318 -3.159 -3.910 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.889 -1.312 -2.432 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.807 -1.915 -3.683 1.00 0.00 C ATOM 0 H TRP A 30 7.626 -2.436 -0.757 1.00 0.00 H new ATOM 0 HA TRP A 30 7.539 -3.298 2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.797 -4.923 1.246 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.311 -3.242 1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.396 -6.156 -1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.598 -5.697 -3.543 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.544 -1.475 -0.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.262 -3.620 -4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.478 -0.323 -2.292 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.328 -1.386 -4.493 1.00 0.00 H new ATOM 428 N SER A 31 8.666 -5.507 1.725 1.00 0.00 N ATOM 429 CA SER A 31 9.474 -6.703 1.561 1.00 0.00 C ATOM 430 C SER A 31 8.569 -7.879 1.200 1.00 0.00 C ATOM 431 O SER A 31 8.092 -8.600 2.070 1.00 0.00 O ATOM 432 CB SER A 31 10.263 -6.992 2.844 1.00 0.00 C ATOM 433 OG SER A 31 11.127 -8.105 2.683 1.00 0.00 O ATOM 0 H SER A 31 8.327 -5.357 2.675 1.00 0.00 H new ATOM 0 HA SER A 31 10.191 -6.550 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.847 -6.114 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.570 -7.183 3.663 1.00 0.00 H new ATOM 0 HG SER A 31 11.617 -8.262 3.517 1.00 0.00 H new ATOM 439 N ARG A 32 8.350 -8.044 -0.097 1.00 0.00 N ATOM 440 CA ARG A 32 7.420 -9.033 -0.649 1.00 0.00 C ATOM 441 C ARG A 32 7.631 -10.442 -0.063 1.00 0.00 C ATOM 442 O ARG A 32 8.727 -10.785 0.390 1.00 0.00 O ATOM 443 CB ARG A 32 7.553 -9.055 -2.177 1.00 0.00 C ATOM 444 CG ARG A 32 8.988 -8.975 -2.655 1.00 0.00 C ATOM 445 CD ARG A 32 9.391 -7.560 -3.046 1.00 0.00 C ATOM 446 NE ARG A 32 10.822 -7.481 -3.331 1.00 0.00 N ATOM 447 CZ ARG A 32 11.693 -6.744 -2.641 1.00 0.00 C ATOM 448 NH1 ARG A 32 11.287 -5.972 -1.639 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.976 -6.767 -2.969 1.00 0.00 N ATOM 0 H ARG A 32 8.819 -7.487 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 32 6.410 -8.734 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.100 -9.969 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.991 -8.220 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.651 -9.334 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.121 -9.637 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.824 -7.246 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.139 -6.871 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 32 11.180 -8.029 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.299 -5.938 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.964 -5.413 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.293 -7.347 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.647 -6.205 -2.445 1.00 0.00 H new ATOM 463 N PRO A 33 6.572 -11.279 -0.090 1.00 0.00 N ATOM 464 CA PRO A 33 6.526 -12.564 0.614 1.00 0.00 C ATOM 465 C PRO A 33 7.331 -13.663 -0.056 1.00 0.00 C ATOM 466 O PRO A 33 7.800 -13.520 -1.189 1.00 0.00 O ATOM 467 CB PRO A 33 5.040 -12.956 0.569 1.00 0.00 C ATOM 468 CG PRO A 33 4.317 -11.798 -0.028 1.00 0.00 C ATOM 469 CD PRO A 33 5.329 -11.054 -0.830 1.00 0.00 C ATOM 0 HA PRO A 33 6.951 -12.457 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.894 -13.855 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.665 -13.174 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.492 -12.134 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.889 -11.163 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.393 -11.433 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.088 -9.993 -0.899 1.00 0.00 H new ATOM 477 N GLN A 34 7.473 -14.767 0.668 1.00 0.00 N ATOM 478 CA GLN A 34 8.019 -15.994 0.116 1.00 0.00 C ATOM 479 C GLN A 34 6.916 -16.710 -0.659 1.00 0.00 C ATOM 480 O GLN A 34 7.178 -17.518 -1.553 1.00 0.00 O ATOM 481 CB GLN A 34 8.550 -16.885 1.236 1.00 0.00 C ATOM 482 CG GLN A 34 9.187 -18.179 0.754 1.00 0.00 C ATOM 483 CD GLN A 34 9.528 -19.120 1.892 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.621 -19.065 2.459 1.00 0.00 O ATOM 485 NE2 GLN A 34 8.597 -19.998 2.231 1.00 0.00 N ATOM 0 H GLN A 34 7.213 -14.834 1.652 1.00 0.00 H new ATOM 0 HA GLN A 34 8.848 -15.765 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.285 -16.324 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.730 -17.127 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.507 -18.680 0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.094 -17.947 0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.705 -20.011 1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.772 -20.661 2.986 1.00 0.00 H new ATOM 494 N ALA A 35 5.674 -16.381 -0.298 1.00 0.00 N ATOM 495 CA ALA A 35 4.489 -16.912 -0.963 1.00 0.00 C ATOM 496 C ALA A 35 4.518 -16.612 -2.450 1.00 0.00 C ATOM 497 O ALA A 35 4.858 -15.494 -2.848 1.00 0.00 O ATOM 498 CB ALA A 35 3.237 -16.294 -0.357 1.00 0.00 C ATOM 0 H ALA A 35 5.464 -15.738 0.465 1.00 0.00 H new ATOM 0 HA ALA A 35 4.479 -17.993 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.355 -16.694 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.191 -16.533 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.267 -15.212 -0.485 1.00 0.00 H new ATOM 504 N PRO A 36 4.190 -17.592 -3.302 1.00 0.00 N ATOM 505 CA PRO A 36 4.021 -17.328 -4.719 1.00 0.00 C ATOM 506 C PRO A 36 2.767 -16.501 -4.941 1.00 0.00 C ATOM 507 O PRO A 36 1.651 -16.980 -4.744 1.00 0.00 O ATOM 508 CB PRO A 36 3.867 -18.723 -5.347 1.00 0.00 C ATOM 509 CG PRO A 36 4.242 -19.692 -4.274 1.00 0.00 C ATOM 510 CD PRO A 36 3.967 -19.004 -2.969 1.00 0.00 C ATOM 0 HA PRO A 36 4.851 -16.770 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.844 -18.890 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.513 -18.834 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.661 -20.610 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.293 -19.971 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.949 -19.183 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.638 -19.346 -2.181 1.00 0.00 H new ATOM 518 N ILE A 37 2.956 -15.275 -5.383 1.00 0.00 N ATOM 519 CA ILE A 37 1.864 -14.331 -5.528 1.00 0.00 C ATOM 520 C ILE A 37 1.739 -13.929 -6.999 1.00 0.00 C ATOM 521 O ILE A 37 2.705 -14.026 -7.752 1.00 0.00 O ATOM 522 CB ILE A 37 2.105 -13.077 -4.638 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.426 -12.413 -5.041 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.085 -13.427 -3.136 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.164 -11.742 -3.908 1.00 0.00 C ATOM 0 H ILE A 37 3.867 -14.904 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 37 0.936 -14.800 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 37 1.289 -12.373 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.076 -13.167 -5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.224 -11.672 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.257 -12.524 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.115 -13.851 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.868 -14.154 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.086 -11.300 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.537 -10.961 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.403 -12.480 -3.142 1.00 0.00 H new ATOM 537 N THR A 38 0.545 -13.525 -7.411 1.00 0.00 N ATOM 538 CA THR A 38 0.293 -13.121 -8.788 1.00 0.00 C ATOM 539 C THR A 38 0.425 -11.620 -8.980 1.00 0.00 C ATOM 540 O THR A 38 0.859 -11.162 -10.035 1.00 0.00 O ATOM 541 CB THR A 38 -1.105 -13.552 -9.256 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.073 -13.298 -8.232 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.118 -15.012 -9.632 1.00 0.00 C ATOM 0 H THR A 38 -0.273 -13.468 -6.804 1.00 0.00 H new ATOM 0 HA THR A 38 1.052 -13.623 -9.388 1.00 0.00 H new ATOM 0 HB THR A 38 -1.363 -12.967 -10.139 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.960 -13.576 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.118 -15.294 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.408 -15.186 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.837 -15.613 -8.767 1.00 0.00 H new ATOM 551 N GLY A 39 0.055 -10.852 -7.968 1.00 0.00 N ATOM 552 CA GLY A 39 0.091 -9.421 -8.100 1.00 0.00 C ATOM 553 C GLY A 39 0.054 -8.722 -6.771 1.00 0.00 C ATOM 554 O GLY A 39 0.226 -9.354 -5.733 1.00 0.00 O ATOM 0 H GLY A 39 -0.267 -11.196 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.995 -9.131 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.755 -9.093 -8.704 1.00 0.00 H new ATOM 558 N TYR A 40 -0.173 -7.423 -6.809 1.00 0.00 N ATOM 559 CA TYR A 40 -0.357 -6.629 -5.610 1.00 0.00 C ATOM 560 C TYR A 40 -1.484 -5.642 -5.786 1.00 0.00 C ATOM 561 O TYR A 40 -1.578 -4.969 -6.815 1.00 0.00 O ATOM 562 CB TYR A 40 0.901 -5.846 -5.259 1.00 0.00 C ATOM 563 CG TYR A 40 1.832 -6.576 -4.334 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.306 -7.834 -4.648 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.233 -6.003 -3.141 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.159 -8.498 -3.805 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.086 -6.663 -2.295 1.00 0.00 C ATOM 568 CZ TYR A 40 3.548 -7.904 -2.633 1.00 0.00 C ATOM 569 OH TYR A 40 4.402 -8.553 -1.794 1.00 0.00 O ATOM 0 H TYR A 40 -0.235 -6.887 -7.675 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.589 -7.328 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.434 -5.603 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.613 -4.901 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.000 -8.302 -5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.869 -5.022 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.522 -9.482 -4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.391 -6.205 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 40 4.982 -9.148 -2.314 1.00 0.00 H new ATOM 579 N ARG A 41 -2.339 -5.566 -4.792 1.00 0.00 N ATOM 580 CA ARG A 41 -3.301 -4.487 -4.721 1.00 0.00 C ATOM 581 C ARG A 41 -2.834 -3.509 -3.683 1.00 0.00 C ATOM 582 O ARG A 41 -2.172 -3.892 -2.739 1.00 0.00 O ATOM 583 CB ARG A 41 -4.669 -4.984 -4.332 1.00 0.00 C ATOM 584 CG ARG A 41 -4.963 -6.371 -4.861 1.00 0.00 C ATOM 585 CD ARG A 41 -5.166 -6.381 -6.365 1.00 0.00 C ATOM 586 NE ARG A 41 -6.252 -5.493 -6.773 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.015 -5.695 -7.844 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.839 -6.770 -8.601 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.963 -4.823 -8.152 1.00 0.00 N ATOM 0 H ARG A 41 -2.389 -6.235 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.375 -4.024 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.753 -4.990 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.422 -4.291 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.141 -7.038 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.856 -6.762 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.243 -6.076 -6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.384 -7.397 -6.695 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.436 -4.668 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.115 -7.448 -8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.428 -6.918 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.107 -3.999 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.549 -4.976 -8.973 1.00 0.00 H new ATOM 603 N ILE A 42 -3.115 -2.254 -3.870 1.00 0.00 N ATOM 604 CA ILE A 42 -2.685 -1.262 -2.900 1.00 0.00 C ATOM 605 C ILE A 42 -3.751 -0.229 -2.640 1.00 0.00 C ATOM 606 O ILE A 42 -3.967 0.639 -3.465 1.00 0.00 O ATOM 607 CB ILE A 42 -1.408 -0.555 -3.383 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.400 -1.584 -3.878 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.808 0.280 -2.261 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.792 -0.987 -4.567 1.00 0.00 C ATOM 0 H ILE A 42 -3.631 -1.885 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.486 -1.794 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.664 0.111 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.057 -2.179 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.900 -2.266 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.095 0.774 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.530 1.031 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.559 -0.366 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.462 -1.784 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.462 -0.416 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.318 -0.327 -3.877 1.00 0.00 H new ATOM 622 N VAL A 43 -4.365 -0.278 -1.468 1.00 0.00 N ATOM 623 CA VAL A 43 -5.394 0.696 -1.133 1.00 0.00 C ATOM 624 C VAL A 43 -4.908 1.617 -0.042 1.00 0.00 C ATOM 625 O VAL A 43 -4.762 1.221 1.110 1.00 0.00 O ATOM 626 CB VAL A 43 -6.729 0.055 -0.692 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.685 1.113 -0.171 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.367 -0.700 -1.839 1.00 0.00 C ATOM 0 H VAL A 43 -4.174 -0.969 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.588 1.253 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.514 -0.649 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.619 0.641 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.237 1.618 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.886 1.840 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.306 -1.143 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.562 -0.013 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.693 -1.488 -2.175 1.00 0.00 H new ATOM 638 N TYR A 44 -4.662 2.846 -0.414 1.00 0.00 N ATOM 639 CA TYR A 44 -4.242 3.849 0.524 1.00 0.00 C ATOM 640 C TYR A 44 -5.331 4.869 0.690 1.00 0.00 C ATOM 641 O TYR A 44 -5.830 5.438 -0.287 1.00 0.00 O ATOM 642 CB TYR A 44 -2.913 4.484 0.102 1.00 0.00 C ATOM 643 CG TYR A 44 -2.717 4.635 -1.392 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.462 3.524 -2.195 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.747 5.884 -1.994 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.249 3.659 -3.549 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.541 6.025 -3.349 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.290 4.912 -4.120 1.00 0.00 C ATOM 649 OH TYR A 44 -2.074 5.060 -5.465 1.00 0.00 O ATOM 0 H TYR A 44 -4.748 3.178 -1.375 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.064 3.381 1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.836 5.468 0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.097 3.880 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.431 2.541 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.935 6.760 -1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.051 2.789 -4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.576 7.004 -3.804 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.139 6.008 -5.704 1.00 0.00 H new ATOM 659 N SER A 45 -5.712 5.052 1.936 1.00 0.00 N ATOM 660 CA SER A 45 -6.855 5.878 2.278 1.00 0.00 C ATOM 661 C SER A 45 -6.596 6.679 3.555 1.00 0.00 C ATOM 662 O SER A 45 -6.037 6.156 4.524 1.00 0.00 O ATOM 663 CB SER A 45 -8.087 4.983 2.459 1.00 0.00 C ATOM 664 OG SER A 45 -9.266 5.750 2.633 1.00 0.00 O ATOM 0 H SER A 45 -5.242 4.635 2.739 1.00 0.00 H new ATOM 0 HA SER A 45 -7.028 6.588 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.198 4.335 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.943 4.334 3.323 1.00 0.00 H new ATOM 0 HG SER A 45 -9.290 6.469 1.968 1.00 0.00 H new ATOM 670 N PRO A 46 -6.990 7.964 3.560 1.00 0.00 N ATOM 671 CA PRO A 46 -6.909 8.826 4.744 1.00 0.00 C ATOM 672 C PRO A 46 -7.873 8.380 5.831 1.00 0.00 C ATOM 673 O PRO A 46 -8.904 7.764 5.553 1.00 0.00 O ATOM 674 CB PRO A 46 -7.315 10.203 4.236 1.00 0.00 C ATOM 675 CG PRO A 46 -7.296 10.114 2.750 1.00 0.00 C ATOM 676 CD PRO A 46 -7.553 8.681 2.410 1.00 0.00 C ATOM 0 HA PRO A 46 -5.913 8.802 5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.306 10.476 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.625 10.969 4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.057 10.760 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.335 10.441 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.617 8.479 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.067 8.394 1.478 1.00 0.00 H new ATOM 744 N SER A 52 -8.089 8.538 -1.754 1.00 0.00 N ATOM 745 CA SER A 52 -7.896 7.106 -1.593 1.00 0.00 C ATOM 746 C SER A 52 -7.710 6.470 -2.955 1.00 0.00 C ATOM 747 O SER A 52 -8.417 6.807 -3.905 1.00 0.00 O ATOM 748 CB SER A 52 -9.091 6.463 -0.883 1.00 0.00 C ATOM 749 OG SER A 52 -9.382 7.127 0.336 1.00 0.00 O ATOM 0 HA SER A 52 -7.010 6.943 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.964 6.494 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.878 5.412 -0.686 1.00 0.00 H new ATOM 0 HG SER A 52 -9.174 8.080 0.247 1.00 0.00 H new ATOM 755 N THR A 53 -6.752 5.576 -3.065 1.00 0.00 N ATOM 756 CA THR A 53 -6.446 4.980 -4.353 1.00 0.00 C ATOM 757 C THR A 53 -5.975 3.534 -4.210 1.00 0.00 C ATOM 758 O THR A 53 -5.367 3.169 -3.203 1.00 0.00 O ATOM 759 CB THR A 53 -5.384 5.827 -5.088 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.877 7.161 -5.275 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.018 5.228 -6.437 1.00 0.00 C ATOM 0 H THR A 53 -6.176 5.247 -2.290 1.00 0.00 H new ATOM 0 HA THR A 53 -7.363 4.966 -4.942 1.00 0.00 H new ATOM 0 HB THR A 53 -4.485 5.841 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.201 7.697 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.268 5.854 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.616 4.225 -6.293 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.907 5.175 -7.065 1.00 0.00 H new ATOM 769 N GLU A 54 -6.301 2.718 -5.209 1.00 0.00 N ATOM 770 CA GLU A 54 -5.835 1.352 -5.293 1.00 0.00 C ATOM 771 C GLU A 54 -4.937 1.185 -6.511 1.00 0.00 C ATOM 772 O GLU A 54 -5.402 1.284 -7.649 1.00 0.00 O ATOM 773 CB GLU A 54 -7.006 0.375 -5.394 1.00 0.00 C ATOM 774 CG GLU A 54 -6.566 -1.081 -5.457 1.00 0.00 C ATOM 775 CD GLU A 54 -7.712 -2.031 -5.718 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.416 -2.399 -4.760 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.909 -2.422 -6.887 1.00 0.00 O ATOM 0 H GLU A 54 -6.901 2.996 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.274 1.132 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.662 0.513 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.592 0.610 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.819 -1.196 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.084 -1.351 -4.517 1.00 0.00 H new ATOM 784 N LEU A 55 -3.656 0.947 -6.279 1.00 0.00 N ATOM 785 CA LEU A 55 -2.747 0.663 -7.376 1.00 0.00 C ATOM 786 C LEU A 55 -2.555 -0.834 -7.509 1.00 0.00 C ATOM 787 O LEU A 55 -2.746 -1.581 -6.551 1.00 0.00 O ATOM 788 CB LEU A 55 -1.394 1.393 -7.229 1.00 0.00 C ATOM 789 CG LEU A 55 -1.489 2.912 -7.375 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.120 3.537 -7.571 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.412 3.299 -8.522 1.00 0.00 C ATOM 0 H LEU A 55 -3.227 0.945 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.199 1.047 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.970 1.158 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.702 1.009 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.911 3.298 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.224 4.617 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.510 3.312 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.339 3.132 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.459 4.385 -8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.028 2.884 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.411 2.905 -8.334 1.00 0.00 H new ATOM 803 N ASN A 56 -2.245 -1.271 -8.713 1.00 0.00 N ATOM 804 CA ASN A 56 -1.987 -2.673 -8.972 1.00 0.00 C ATOM 805 C ASN A 56 -0.553 -2.841 -9.427 1.00 0.00 C ATOM 806 O ASN A 56 -0.152 -2.294 -10.453 1.00 0.00 O ATOM 807 CB ASN A 56 -2.946 -3.212 -10.036 1.00 0.00 C ATOM 808 CG ASN A 56 -2.727 -4.685 -10.326 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.916 -5.049 -11.178 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.458 -5.541 -9.629 1.00 0.00 N ATOM 0 H ASN A 56 -2.165 -0.670 -9.533 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.147 -3.239 -8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.973 -3.059 -9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.820 -2.642 -10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.360 -6.544 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.119 -5.198 -8.932 1.00 0.00 H new ATOM 817 N LEU A 57 0.220 -3.587 -8.662 1.00 0.00 N ATOM 818 CA LEU A 57 1.622 -3.763 -8.958 1.00 0.00 C ATOM 819 C LEU A 57 1.879 -5.215 -9.298 1.00 0.00 C ATOM 820 O LEU A 57 1.084 -6.085 -8.953 1.00 0.00 O ATOM 821 CB LEU A 57 2.507 -3.319 -7.774 1.00 0.00 C ATOM 822 CG LEU A 57 2.584 -1.816 -7.514 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.931 -1.460 -6.931 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.339 -1.014 -8.769 1.00 0.00 C ATOM 0 H LEU A 57 -0.103 -4.080 -7.830 1.00 0.00 H new ATOM 0 HA LEU A 57 1.882 -3.136 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.138 -3.804 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.518 -3.689 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 57 1.798 -1.565 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.976 -0.386 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.073 -1.994 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.717 -1.743 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.403 0.050 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.090 -1.270 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.347 -1.242 -9.159 1.00 0.00 H new ATOM 836 N PRO A 58 2.954 -5.493 -10.028 1.00 0.00 N ATOM 837 CA PRO A 58 3.350 -6.859 -10.318 1.00 0.00 C ATOM 838 C PRO A 58 3.763 -7.590 -9.045 1.00 0.00 C ATOM 839 O PRO A 58 4.221 -6.980 -8.082 1.00 0.00 O ATOM 840 CB PRO A 58 4.536 -6.711 -11.279 1.00 0.00 C ATOM 841 CG PRO A 58 5.012 -5.305 -11.134 1.00 0.00 C ATOM 842 CD PRO A 58 3.846 -4.495 -10.639 1.00 0.00 C ATOM 0 HA PRO A 58 2.538 -7.446 -10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.328 -7.418 -11.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.234 -6.916 -12.306 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.845 -5.250 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.372 -4.919 -12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.161 -3.744 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.353 -3.965 -11.454 1.00 0.00 H new ATOM 850 N GLU A 59 3.553 -8.900 -9.052 1.00 0.00 N ATOM 851 CA GLU A 59 3.922 -9.791 -7.942 1.00 0.00 C ATOM 852 C GLU A 59 5.342 -9.540 -7.439 1.00 0.00 C ATOM 853 O GLU A 59 5.656 -9.796 -6.278 1.00 0.00 O ATOM 854 CB GLU A 59 3.825 -11.247 -8.398 1.00 0.00 C ATOM 855 CG GLU A 59 4.781 -11.593 -9.533 1.00 0.00 C ATOM 856 CD GLU A 59 4.836 -13.076 -9.824 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.574 -13.798 -9.121 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.152 -13.527 -10.765 1.00 0.00 O ATOM 0 H GLU A 59 3.117 -9.387 -9.835 1.00 0.00 H new ATOM 0 HA GLU A 59 3.229 -9.586 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.030 -11.900 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.804 -11.452 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.474 -11.062 -10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.781 -11.240 -9.280 1.00 0.00 H new ATOM 865 N THR A 60 6.188 -9.054 -8.326 1.00 0.00 N ATOM 866 CA THR A 60 7.596 -8.867 -8.031 1.00 0.00 C ATOM 867 C THR A 60 7.911 -7.395 -7.753 1.00 0.00 C ATOM 868 O THR A 60 9.073 -6.985 -7.742 1.00 0.00 O ATOM 869 CB THR A 60 8.468 -9.401 -9.195 1.00 0.00 C ATOM 870 OG1 THR A 60 9.863 -9.278 -8.889 1.00 0.00 O ATOM 871 CG2 THR A 60 8.157 -8.666 -10.492 1.00 0.00 C ATOM 0 H THR A 60 5.920 -8.778 -9.271 1.00 0.00 H new ATOM 0 HA THR A 60 7.831 -9.435 -7.131 1.00 0.00 H new ATOM 0 HB THR A 60 8.230 -10.457 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.018 -8.444 -8.398 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.783 -9.060 -11.293 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.107 -8.809 -10.748 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.358 -7.602 -10.365 1.00 0.00 H new ATOM 879 N ALA A 61 6.871 -6.605 -7.515 1.00 0.00 N ATOM 880 CA ALA A 61 7.047 -5.196 -7.194 1.00 0.00 C ATOM 881 C ALA A 61 7.343 -5.042 -5.716 1.00 0.00 C ATOM 882 O ALA A 61 7.104 -5.965 -4.933 1.00 0.00 O ATOM 883 CB ALA A 61 5.812 -4.399 -7.565 1.00 0.00 C ATOM 0 H ALA A 61 5.900 -6.916 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 61 7.886 -4.810 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.968 -3.349 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.625 -4.494 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.953 -4.780 -7.012 1.00 0.00 H new ATOM 889 N ASN A 62 7.852 -3.887 -5.325 1.00 0.00 N ATOM 890 CA ASN A 62 8.230 -3.689 -3.937 1.00 0.00 C ATOM 891 C ASN A 62 8.095 -2.239 -3.500 1.00 0.00 C ATOM 892 O ASN A 62 8.588 -1.872 -2.440 1.00 0.00 O ATOM 893 CB ASN A 62 9.663 -4.173 -3.709 1.00 0.00 C ATOM 894 CG ASN A 62 10.703 -3.332 -4.424 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.970 -3.527 -5.609 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.325 -2.416 -3.700 1.00 0.00 N ATOM 0 H ASN A 62 8.011 -3.086 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 62 7.542 -4.276 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.875 -4.168 -2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.748 -5.206 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.055 -1.841 -4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.075 -2.284 -2.720 1.00 0.00 H new ATOM 903 N SER A 63 7.427 -1.416 -4.297 1.00 0.00 N ATOM 904 CA SER A 63 7.248 -0.005 -3.959 1.00 0.00 C ATOM 905 C SER A 63 6.119 0.613 -4.788 1.00 0.00 C ATOM 906 O SER A 63 6.053 0.400 -5.995 1.00 0.00 O ATOM 907 CB SER A 63 8.535 0.793 -4.228 1.00 0.00 C ATOM 908 OG SER A 63 9.658 0.232 -3.569 1.00 0.00 O ATOM 0 H SER A 63 7.000 -1.697 -5.180 1.00 0.00 H new ATOM 0 HA SER A 63 7.000 0.043 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.724 0.825 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.398 1.823 -3.898 1.00 0.00 H new ATOM 0 HG SER A 63 9.354 -0.343 -2.836 1.00 0.00 H new ATOM 914 N VAL A 64 5.246 1.379 -4.144 1.00 0.00 N ATOM 915 CA VAL A 64 4.205 2.114 -4.862 1.00 0.00 C ATOM 916 C VAL A 64 4.383 3.618 -4.670 1.00 0.00 C ATOM 917 O VAL A 64 4.722 4.081 -3.566 1.00 0.00 O ATOM 918 CB VAL A 64 2.770 1.721 -4.425 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.600 1.828 -2.937 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.751 2.567 -5.125 1.00 0.00 C ATOM 0 H VAL A 64 5.236 1.509 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 64 4.319 1.846 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 64 2.616 0.680 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.583 1.545 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.306 1.162 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.787 2.855 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.752 2.274 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.918 3.616 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.841 2.428 -6.202 1.00 0.00 H new ATOM 930 N THR A 65 4.186 4.364 -5.754 1.00 0.00 N ATOM 931 CA THR A 65 4.144 5.799 -5.710 1.00 0.00 C ATOM 932 C THR A 65 2.692 6.284 -5.688 1.00 0.00 C ATOM 933 O THR A 65 1.995 6.291 -6.705 1.00 0.00 O ATOM 934 CB THR A 65 4.873 6.363 -6.931 1.00 0.00 C ATOM 935 OG1 THR A 65 6.266 6.035 -6.849 1.00 0.00 O ATOM 936 CG2 THR A 65 4.698 7.875 -7.052 1.00 0.00 C ATOM 0 H THR A 65 4.052 3.975 -6.687 1.00 0.00 H new ATOM 0 HA THR A 65 4.637 6.148 -4.803 1.00 0.00 H new ATOM 0 HB THR A 65 4.436 5.912 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.733 6.395 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.232 8.234 -7.932 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.638 8.112 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.099 8.360 -6.162 1.00 0.00 H new ATOM 944 N LEU A 66 2.246 6.655 -4.507 1.00 0.00 N ATOM 945 CA LEU A 66 0.917 7.192 -4.300 1.00 0.00 C ATOM 946 C LEU A 66 0.883 8.626 -4.798 1.00 0.00 C ATOM 947 O LEU A 66 1.819 9.390 -4.547 1.00 0.00 O ATOM 948 CB LEU A 66 0.566 7.158 -2.819 1.00 0.00 C ATOM 949 CG LEU A 66 1.330 6.136 -1.983 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.073 6.372 -0.521 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.930 4.725 -2.375 1.00 0.00 C ATOM 0 H LEU A 66 2.802 6.592 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 66 0.192 6.590 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.742 8.148 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.501 6.956 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 66 2.397 6.253 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.622 5.638 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.404 7.375 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.006 6.275 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.484 4.008 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.139 4.591 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.157 4.562 -3.429 1.00 0.00 H new ATOM 963 N SER A 67 -0.191 8.995 -5.476 1.00 0.00 N ATOM 964 CA SER A 67 -0.244 10.275 -6.154 1.00 0.00 C ATOM 965 C SER A 67 -1.539 11.014 -5.850 1.00 0.00 C ATOM 966 O SER A 67 -2.517 10.410 -5.407 1.00 0.00 O ATOM 967 CB SER A 67 -0.098 10.058 -7.661 1.00 0.00 C ATOM 968 OG SER A 67 -0.971 9.036 -8.118 1.00 0.00 O ATOM 0 H SER A 67 -1.033 8.428 -5.570 1.00 0.00 H new ATOM 0 HA SER A 67 0.578 10.892 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.314 10.987 -8.188 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.933 9.791 -7.895 1.00 0.00 H new ATOM 0 HG SER A 67 -0.859 8.918 -9.084 1.00 0.00 H new ATOM 974 N ASP A 68 -1.512 12.326 -6.068 1.00 0.00 N ATOM 975 CA ASP A 68 -2.688 13.183 -5.928 1.00 0.00 C ATOM 976 C ASP A 68 -3.182 13.222 -4.487 1.00 0.00 C ATOM 977 O ASP A 68 -4.381 13.321 -4.230 1.00 0.00 O ATOM 978 CB ASP A 68 -3.807 12.737 -6.876 1.00 0.00 C ATOM 979 CG ASP A 68 -3.456 12.973 -8.330 1.00 0.00 C ATOM 980 OD1 ASP A 68 -2.832 12.085 -8.950 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.801 14.049 -8.865 1.00 0.00 O ATOM 0 H ASP A 68 -0.670 12.828 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.391 14.195 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.011 11.677 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.722 13.277 -6.633 1.00 0.00 H new ATOM 986 N LEU A 69 -2.243 13.152 -3.549 1.00 0.00 N ATOM 987 CA LEU A 69 -2.563 13.272 -2.131 1.00 0.00 C ATOM 988 C LEU A 69 -2.874 14.725 -1.788 1.00 0.00 C ATOM 989 O LEU A 69 -2.944 15.580 -2.668 1.00 0.00 O ATOM 990 CB LEU A 69 -1.404 12.791 -1.245 1.00 0.00 C ATOM 991 CG LEU A 69 -0.702 11.517 -1.675 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.454 11.237 -0.749 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.685 10.368 -1.640 1.00 0.00 C ATOM 0 H LEU A 69 -1.252 13.012 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.432 12.643 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.662 13.588 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.786 12.645 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.321 11.633 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.956 10.321 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.159 12.068 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.084 11.119 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.184 9.451 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.069 10.248 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.512 10.576 -2.319 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.100 14.991 -0.518 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.256 16.346 -0.033 1.00 0.00 C ATOM 1007 C GLN A 70 -2.245 16.581 1.081 1.00 0.00 C ATOM 1008 O GLN A 70 -2.001 15.687 1.893 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.665 16.580 0.509 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.775 15.991 -0.343 1.00 0.00 C ATOM 1011 CD GLN A 70 -7.143 16.485 0.078 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.647 17.470 -0.458 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.741 15.824 1.057 1.00 0.00 N ATOM 0 H GLN A 70 -3.180 14.276 0.205 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.090 17.037 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.730 16.156 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.829 17.653 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.604 16.248 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.746 14.904 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.288 15.011 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.655 16.128 1.394 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.631 17.767 1.130 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.650 18.100 2.166 1.00 0.00 C ATOM 1024 C PRO A 71 -1.272 18.175 3.563 1.00 0.00 C ATOM 1025 O PRO A 71 -2.242 18.901 3.786 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.125 19.466 1.733 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.196 20.040 0.872 1.00 0.00 C ATOM 1028 CD PRO A 71 -1.836 18.874 0.178 1.00 0.00 C ATOM 0 HA PRO A 71 0.126 17.340 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.072 20.104 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.813 19.372 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.925 20.587 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.782 20.744 0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.894 19.050 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.367 18.670 -0.785 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.709 17.415 4.498 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.191 17.437 5.867 1.00 0.00 C ATOM 1038 C GLY A 72 -2.313 16.445 6.111 1.00 0.00 C ATOM 1039 O GLY A 72 -3.259 16.739 6.843 1.00 0.00 O ATOM 0 H GLY A 72 0.074 16.783 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.364 17.217 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.541 18.441 6.108 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.212 15.274 5.498 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.221 14.234 5.651 1.00 0.00 C ATOM 1045 C VAL A 73 -2.562 12.903 5.993 1.00 0.00 C ATOM 1046 O VAL A 73 -1.465 12.607 5.518 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.058 14.068 4.360 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.156 13.053 4.531 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.685 15.364 3.923 1.00 0.00 C ATOM 0 H VAL A 73 -1.437 15.019 4.886 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.883 14.537 6.462 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.357 13.727 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.720 12.967 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.721 12.086 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.823 13.370 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.263 15.200 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.343 15.733 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.904 16.099 3.729 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.227 12.116 6.828 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.739 10.810 7.209 1.00 0.00 C ATOM 1061 C GLN A 74 -3.235 9.763 6.228 1.00 0.00 C ATOM 1062 O GLN A 74 -4.436 9.654 5.989 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.232 10.487 8.610 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.988 9.043 9.023 1.00 0.00 C ATOM 1065 CD GLN A 74 -3.362 8.767 10.465 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -3.289 9.651 11.320 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -3.761 7.535 10.745 1.00 0.00 N ATOM 0 H GLN A 74 -4.117 12.370 7.256 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.649 10.808 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.738 11.148 9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.300 10.697 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.562 8.383 8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.936 8.801 8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.807 6.833 10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.022 7.288 11.700 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.318 9.003 5.657 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.682 7.979 4.695 1.00 0.00 C ATOM 1078 C TYR A 75 -2.306 6.605 5.191 1.00 0.00 C ATOM 1079 O TYR A 75 -1.143 6.338 5.493 1.00 0.00 O ATOM 1080 CB TYR A 75 -2.013 8.237 3.349 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.446 9.537 2.741 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.644 9.628 2.051 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -1.677 10.678 2.888 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.062 10.824 1.519 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -2.091 11.880 2.369 1.00 0.00 C ATOM 1086 CZ TYR A 75 -3.286 11.946 1.682 1.00 0.00 C ATOM 1087 OH TYR A 75 -3.722 13.141 1.180 1.00 0.00 O ATOM 0 H TYR A 75 -1.318 9.075 5.842 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.764 8.021 4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.931 8.241 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.250 7.422 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.257 8.747 1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.738 10.622 3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.994 10.882 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.487 12.766 2.497 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.490 13.454 1.702 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.301 5.747 5.290 1.00 0.00 N ATOM 1098 CA ASN A 76 -3.070 4.348 5.564 1.00 0.00 C ATOM 1099 C ASN A 76 -2.865 3.620 4.247 1.00 0.00 C ATOM 1100 O ASN A 76 -3.818 3.423 3.487 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.253 3.725 6.314 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.378 4.205 7.748 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.028 5.338 8.078 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -4.884 3.341 8.613 1.00 0.00 N ATOM 0 H ASN A 76 -4.284 5.999 5.183 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.185 4.256 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.175 3.956 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.146 2.640 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.996 3.605 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.163 2.411 8.301 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.628 3.247 3.962 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.329 2.494 2.759 1.00 0.00 C ATOM 1113 C ILE A 77 -1.429 1.024 3.066 1.00 0.00 C ATOM 1114 O ILE A 77 -0.683 0.490 3.889 1.00 0.00 O ATOM 1115 CB ILE A 77 0.076 2.784 2.182 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.256 4.252 1.813 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.364 1.931 0.958 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.723 5.131 2.954 1.00 0.00 C ATOM 0 H ILE A 77 -0.818 3.453 4.547 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.054 2.802 2.006 1.00 0.00 H new ATOM 0 HB ILE A 77 0.782 2.533 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.976 4.323 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.691 4.638 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.360 2.162 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.314 0.877 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.375 2.142 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.825 6.158 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.006 5.094 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.687 4.774 3.317 1.00 0.00 H new ATOM 1130 N THR A 78 -2.379 0.394 2.426 1.00 0.00 N ATOM 1131 CA THR A 78 -2.639 -0.991 2.635 1.00 0.00 C ATOM 1132 C THR A 78 -2.094 -1.811 1.471 1.00 0.00 C ATOM 1133 O THR A 78 -2.584 -1.689 0.338 1.00 0.00 O ATOM 1134 CB THR A 78 -4.143 -1.217 2.778 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.677 -0.340 3.782 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.445 -2.658 3.148 1.00 0.00 C ATOM 0 H THR A 78 -2.993 0.837 1.743 1.00 0.00 H new ATOM 0 HA THR A 78 -2.141 -1.312 3.550 1.00 0.00 H new ATOM 0 HB THR A 78 -4.611 -1.001 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.941 0.509 3.369 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.523 -2.791 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.065 -3.321 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.964 -2.899 4.096 1.00 0.00 H new ATOM 1144 N ILE A 79 -1.083 -2.635 1.747 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.490 -3.468 0.696 1.00 0.00 C ATOM 1146 C ILE A 79 -1.130 -4.852 0.720 1.00 0.00 C ATOM 1147 O ILE A 79 -1.300 -5.452 1.781 1.00 0.00 O ATOM 1148 CB ILE A 79 1.054 -3.671 0.805 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.857 -2.396 1.028 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.583 -4.302 -0.452 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.485 -1.240 0.142 1.00 0.00 C ATOM 0 H ILE A 79 -0.663 -2.744 2.670 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.680 -2.926 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 79 1.181 -4.304 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.739 -2.089 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.913 -2.621 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.661 -4.439 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.105 -5.270 -0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.367 -3.655 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.114 -0.382 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.632 -1.519 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.439 -0.979 0.304 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.485 -5.345 -0.448 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.094 -6.654 -0.593 1.00 0.00 C ATOM 1165 C TYR A 80 -1.249 -7.523 -1.524 1.00 0.00 C ATOM 1166 O TYR A 80 -1.197 -7.263 -2.733 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.492 -6.528 -1.215 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.467 -5.609 -0.500 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.512 -4.236 -0.765 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.381 -6.128 0.408 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.433 -3.423 -0.136 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.309 -5.317 1.033 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.331 -3.967 0.756 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.257 -3.156 1.373 1.00 0.00 O ATOM 0 H TYR A 80 -1.359 -4.847 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.161 -7.104 0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.380 -6.176 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.934 -7.523 -1.266 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.817 -3.807 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.366 -7.185 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.450 -2.363 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -7.013 -5.739 1.735 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.816 -3.694 1.971 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.612 -8.556 -0.976 1.00 0.00 N ATOM 1185 CA ALA A 81 0.069 -9.554 -1.797 1.00 0.00 C ATOM 1186 C ALA A 81 -0.959 -10.562 -2.273 1.00 0.00 C ATOM 1187 O ALA A 81 -1.518 -11.310 -1.470 1.00 0.00 O ATOM 1188 CB ALA A 81 1.194 -10.257 -1.024 1.00 0.00 C ATOM 0 H ALA A 81 -0.553 -8.723 0.029 1.00 0.00 H new ATOM 0 HA ALA A 81 0.535 -9.057 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.675 -10.991 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.930 -9.520 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.777 -10.759 -0.151 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.234 -10.571 -3.566 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.310 -11.424 -4.074 1.00 0.00 C ATOM 1196 C VAL A 82 -1.750 -12.603 -4.842 1.00 0.00 C ATOM 1197 O VAL A 82 -0.857 -12.431 -5.657 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.328 -10.655 -4.965 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.677 -10.022 -6.169 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.446 -11.574 -5.422 1.00 0.00 C ATOM 0 H VAL A 82 -0.747 -10.017 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.849 -11.781 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.738 -9.857 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.431 -9.498 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.916 -9.314 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.213 -10.796 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.146 -11.015 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.027 -12.398 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.970 -11.970 -4.552 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.261 -13.797 -4.554 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.882 -14.996 -5.280 1.00 0.00 C ATOM 1212 C GLU A 83 -3.030 -15.425 -6.185 1.00 0.00 C ATOM 1213 O GLU A 83 -4.125 -14.859 -6.104 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.544 -16.163 -4.356 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.901 -15.799 -3.044 1.00 0.00 C ATOM 1216 CD GLU A 83 -0.630 -17.032 -2.210 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.602 -17.666 -1.752 1.00 0.00 O ATOM 1218 OE2 GLU A 83 0.553 -17.394 -2.028 1.00 0.00 O ATOM 0 H GLU A 83 -2.945 -13.956 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.990 -14.748 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.461 -16.714 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.878 -16.842 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.033 -15.268 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.551 -15.119 -2.493 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.771 -16.401 -7.050 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.786 -16.931 -7.967 1.00 0.00 C ATOM 1227 C GLU A 84 -5.133 -17.149 -7.273 1.00 0.00 C ATOM 1228 O GLU A 84 -6.184 -16.818 -7.825 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.319 -18.259 -8.569 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.037 -18.159 -9.375 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.628 -19.477 -9.996 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.088 -20.338 -9.270 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.838 -19.660 -11.213 1.00 0.00 O ATOM 0 H GLU A 84 -1.858 -16.848 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.920 -16.187 -8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.174 -18.979 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.108 -18.652 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.166 -17.416 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.234 -17.803 -8.729 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.103 -17.685 -6.059 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.333 -18.058 -5.372 1.00 0.00 C ATOM 1242 C ASN A 85 -6.491 -17.377 -4.010 1.00 0.00 C ATOM 1243 O ASN A 85 -7.607 -17.279 -3.500 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.396 -19.578 -5.190 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.277 -20.120 -4.315 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -4.161 -19.598 -4.309 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -5.568 -21.166 -3.560 1.00 0.00 N ATOM 0 H ASN A 85 -4.248 -17.870 -5.534 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.154 -17.716 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.356 -19.846 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.349 -20.057 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.858 -21.566 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.503 -21.573 -3.590 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.400 -16.894 -3.424 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.446 -16.398 -2.048 1.00 0.00 C ATOM 1256 C GLN A 86 -4.961 -14.959 -1.954 1.00 0.00 C ATOM 1257 O GLN A 86 -4.551 -14.369 -2.948 1.00 0.00 O ATOM 1258 CB GLN A 86 -4.601 -17.285 -1.129 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.148 -18.691 -0.947 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.506 -18.706 -0.276 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -7.543 -18.664 -0.939 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -6.512 -18.765 1.044 1.00 0.00 N ATOM 0 H GLN A 86 -4.485 -16.835 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.487 -16.430 -1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.591 -17.350 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.524 -16.808 -0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.222 -19.177 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.446 -19.276 -0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.631 -18.798 1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.398 -18.777 1.550 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.040 -14.401 -0.751 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.553 -13.053 -0.481 1.00 0.00 C ATOM 1273 C GLU A 87 -3.871 -13.009 0.879 1.00 0.00 C ATOM 1274 O GLU A 87 -4.459 -13.415 1.886 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.706 -12.045 -0.487 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.394 -11.888 -1.829 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.640 -11.038 -1.729 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.522 -9.838 -1.409 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.745 -11.566 -1.969 1.00 0.00 O ATOM 0 H GLU A 87 -5.442 -14.868 0.062 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.843 -12.789 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.445 -12.353 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.325 -11.074 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.703 -11.436 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.656 -12.871 -2.220 1.00 0.00 H new ATOM 1286 N SER A 88 -2.639 -12.527 0.907 1.00 0.00 N ATOM 1287 CA SER A 88 -1.914 -12.364 2.157 1.00 0.00 C ATOM 1288 C SER A 88 -2.571 -11.284 3.010 1.00 0.00 C ATOM 1289 O SER A 88 -3.274 -10.413 2.487 1.00 0.00 O ATOM 1290 CB SER A 88 -0.463 -11.986 1.868 1.00 0.00 C ATOM 1291 OG SER A 88 0.143 -12.916 0.988 1.00 0.00 O ATOM 0 H SER A 88 -2.119 -12.241 0.077 1.00 0.00 H new ATOM 0 HA SER A 88 -1.937 -13.307 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.425 -10.989 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.098 -11.946 2.802 1.00 0.00 H new ATOM 0 HG SER A 88 -0.147 -12.734 0.070 1.00 0.00 H new ATOM 1297 N THR A 89 -2.356 -11.353 4.321 1.00 0.00 N ATOM 1298 CA THR A 89 -2.881 -10.346 5.232 1.00 0.00 C ATOM 1299 C THR A 89 -2.370 -8.960 4.844 1.00 0.00 C ATOM 1300 O THR A 89 -1.256 -8.816 4.347 1.00 0.00 O ATOM 1301 CB THR A 89 -2.506 -10.661 6.694 1.00 0.00 C ATOM 1302 OG1 THR A 89 -1.090 -10.870 6.818 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.252 -11.895 7.179 1.00 0.00 C ATOM 0 H THR A 89 -1.822 -12.095 4.774 1.00 0.00 H new ATOM 0 HA THR A 89 -3.968 -10.359 5.153 1.00 0.00 H new ATOM 0 HB THR A 89 -2.792 -9.808 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.869 -11.067 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.976 -12.104 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.326 -11.718 7.119 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.989 -12.748 6.554 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.187 -7.926 5.046 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.884 -6.593 4.546 1.00 0.00 C ATOM 1313 C PRO A 90 -1.825 -5.847 5.358 1.00 0.00 C ATOM 1314 O PRO A 90 -1.782 -5.916 6.589 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.231 -5.875 4.632 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.968 -6.560 5.731 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.468 -7.975 5.773 1.00 0.00 C ATOM 0 HA PRO A 90 -2.457 -6.638 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.099 -4.815 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.775 -5.944 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.793 -6.060 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.043 -6.535 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.331 -8.319 6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.170 -8.660 5.298 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.985 -5.127 4.632 1.00 0.00 N ATOM 1326 CA VAL A 91 -0.051 -4.172 5.203 1.00 0.00 C ATOM 1327 C VAL A 91 -0.795 -2.889 5.472 1.00 0.00 C ATOM 1328 O VAL A 91 -1.477 -2.413 4.580 1.00 0.00 O ATOM 1329 CB VAL A 91 1.038 -3.803 4.193 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.698 -2.500 4.607 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.065 -4.905 4.042 1.00 0.00 C ATOM 0 H VAL A 91 -0.933 -5.191 3.615 1.00 0.00 H new ATOM 0 HA VAL A 91 0.384 -4.617 6.098 1.00 0.00 H new ATOM 0 HB VAL A 91 0.568 -3.673 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.473 -2.240 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.950 -1.707 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.145 -2.616 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.820 -4.602 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.542 -5.092 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.574 -5.815 3.697 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.668 -2.324 6.657 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.242 -1.016 6.903 1.00 0.00 C ATOM 1343 C VAL A 92 -0.186 -0.080 7.474 1.00 0.00 C ATOM 1344 O VAL A 92 0.218 -0.206 8.633 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.456 -1.073 7.853 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -3.142 0.279 7.891 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.434 -2.155 7.420 1.00 0.00 C ATOM 0 H VAL A 92 -0.182 -2.741 7.451 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.595 -0.637 5.944 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.104 -1.321 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.999 0.234 8.563 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.440 1.033 8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.481 0.543 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.281 -2.175 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.788 -1.943 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.934 -3.123 7.432 1.00 0.00 H new ATOM 1357 N ILE A 93 0.266 0.853 6.650 1.00 0.00 N ATOM 1358 CA ILE A 93 1.285 1.807 7.060 1.00 0.00 C ATOM 1359 C ILE A 93 0.751 3.235 6.956 1.00 0.00 C ATOM 1360 O ILE A 93 0.479 3.733 5.868 1.00 0.00 O ATOM 1361 CB ILE A 93 2.577 1.647 6.220 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.290 1.805 4.735 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.213 0.292 6.491 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.537 1.816 3.901 1.00 0.00 C ATOM 0 H ILE A 93 -0.058 0.970 5.690 1.00 0.00 H new ATOM 0 HA ILE A 93 1.537 1.602 8.101 1.00 0.00 H new ATOM 0 HB ILE A 93 3.272 2.433 6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.645 0.991 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.741 2.732 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.120 0.190 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.463 0.212 7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.512 -0.499 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.271 1.931 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.172 2.647 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.075 0.878 4.038 1.00 0.00 H new ATOM 1376 N GLN A 94 0.567 3.882 8.093 1.00 0.00 N ATOM 1377 CA GLN A 94 0.011 5.226 8.110 1.00 0.00 C ATOM 1378 C GLN A 94 1.113 6.278 8.158 1.00 0.00 C ATOM 1379 O GLN A 94 2.008 6.230 9.005 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.979 5.416 9.272 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.418 5.135 10.665 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.258 3.655 10.957 1.00 0.00 C ATOM 1383 OE1 GLN A 94 0.797 3.068 10.707 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.301 3.042 11.490 1.00 0.00 N ATOM 0 H GLN A 94 0.793 3.502 9.013 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.543 5.358 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.348 6.441 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.837 4.764 9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.550 5.625 10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.078 5.577 11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.156 3.564 11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.251 2.047 11.710 1.00 0.00 H new ATOM 1393 N GLN A 95 1.058 7.203 7.215 1.00 0.00 N ATOM 1394 CA GLN A 95 2.029 8.280 7.133 1.00 0.00 C ATOM 1395 C GLN A 95 1.312 9.596 6.822 1.00 0.00 C ATOM 1396 O GLN A 95 0.483 9.652 5.914 1.00 0.00 O ATOM 1397 CB GLN A 95 3.061 7.941 6.047 1.00 0.00 C ATOM 1398 CG GLN A 95 4.363 8.734 6.122 1.00 0.00 C ATOM 1399 CD GLN A 95 4.215 10.186 5.713 1.00 0.00 C ATOM 1400 OE1 GLN A 95 3.294 10.457 4.798 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 4.929 11.052 6.207 1.00 0.00 N flip ATOM 0 H GLN A 95 0.343 7.229 6.488 1.00 0.00 H new ATOM 0 HA GLN A 95 2.548 8.394 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.296 6.879 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.607 8.109 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.747 8.690 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.105 8.259 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.625 10.800 6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.826 12.024 5.917 1.00 0.00 H new ATOM 1410 N GLU A 96 1.627 10.642 7.581 1.00 0.00 N ATOM 1411 CA GLU A 96 1.034 11.962 7.359 1.00 0.00 C ATOM 1412 C GLU A 96 1.904 12.798 6.423 1.00 0.00 C ATOM 1413 O GLU A 96 3.076 13.034 6.708 1.00 0.00 O ATOM 1414 CB GLU A 96 0.855 12.698 8.689 1.00 0.00 C ATOM 1415 CG GLU A 96 -0.047 11.968 9.667 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.195 12.694 10.987 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.940 13.695 11.043 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.413 12.254 11.982 1.00 0.00 O ATOM 0 H GLU A 96 2.289 10.603 8.356 1.00 0.00 H new ATOM 0 HA GLU A 96 0.058 11.818 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.832 12.845 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.442 13.688 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.031 11.838 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.355 10.971 9.849 1.00 0.00 H new ATOM 1425 N THR A 97 1.323 13.237 5.312 1.00 0.00 N ATOM 1426 CA THR A 97 2.051 14.002 4.303 1.00 0.00 C ATOM 1427 C THR A 97 2.695 15.255 4.889 1.00 0.00 C ATOM 1428 O THR A 97 2.029 16.081 5.518 1.00 0.00 O ATOM 1429 CB THR A 97 1.127 14.406 3.139 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.175 14.741 3.636 1.00 0.00 O ATOM 1431 CG2 THR A 97 1.019 13.287 2.121 1.00 0.00 C ATOM 0 H THR A 97 0.342 13.075 5.085 1.00 0.00 H new ATOM 0 HA THR A 97 2.840 13.349 3.931 1.00 0.00 H new ATOM 0 HB THR A 97 1.559 15.278 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.797 14.839 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.361 13.596 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.008 13.062 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.610 12.397 2.600 1.00 0.00 H new ATOM 1439 N THR A 98 3.999 15.383 4.668 1.00 0.00 N ATOM 1440 CA THR A 98 4.765 16.516 5.160 1.00 0.00 C ATOM 1441 C THR A 98 4.372 17.787 4.417 1.00 0.00 C ATOM 1442 O THR A 98 4.424 18.889 4.964 1.00 0.00 O ATOM 1443 CB THR A 98 6.268 16.270 4.958 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.574 14.901 5.255 1.00 0.00 O ATOM 1445 CG2 THR A 98 7.097 17.183 5.850 1.00 0.00 C ATOM 0 H THR A 98 4.551 14.704 4.144 1.00 0.00 H new ATOM 0 HA THR A 98 4.550 16.633 6.222 1.00 0.00 H new ATOM 0 HB THR A 98 6.515 16.489 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.533 14.744 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.157 16.987 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.879 18.223 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.850 16.993 6.895 1.00 0.00 H new