USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= -3.29! C(o=-2.7!,f=-7.2!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.0689 F(o=-5.1!,f=-2.7) USER MOD Set 1.3: A 94 GLN : amide:sc= 0.705 K(o=-2.7,f=-4.4) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.869 K(o=0.87,f=-0.048) USER MOD Single : A 24 THR OG1 : rot -96:sc= 0.217 USER MOD Single : A 25 SER OG : rot -11:sc= 0.984 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 40 TYR OH : rot 69:sc= -4.83! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.46! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -23:sc= 0.276 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 60 THR OG1 : rot -29:sc= 0.887 USER MOD Single : A 62 ASN : amide:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.85! C(o=-1.8!,f=-2.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0016) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 88 SER OG : rot 79:sc= 0.0369 USER MOD Single : A 89 THR OG1 : rot 180:sc=-0.00349 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.213 F(o=-1.6,f=-0.21) USER MOD Single : A 97 THR OG1 : rot -156:sc= 1.96 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.216 -12.030 3.988 1.00 0.00 N ATOM 142 CA ALA A 12 2.319 -10.641 3.556 1.00 0.00 C ATOM 143 C ALA A 12 3.763 -10.156 3.631 1.00 0.00 C ATOM 144 O ALA A 12 4.590 -10.773 4.301 1.00 0.00 O ATOM 145 CB ALA A 12 1.439 -9.772 4.436 1.00 0.00 C ATOM 0 HA ALA A 12 1.987 -10.572 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.515 -8.733 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.403 -10.102 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.766 -9.855 5.473 1.00 0.00 H new ATOM 151 N PRO A 13 4.095 -9.045 2.952 1.00 0.00 N ATOM 152 CA PRO A 13 5.415 -8.430 3.061 1.00 0.00 C ATOM 153 C PRO A 13 5.596 -7.730 4.405 1.00 0.00 C ATOM 154 O PRO A 13 4.738 -6.941 4.814 1.00 0.00 O ATOM 155 CB PRO A 13 5.430 -7.396 1.921 1.00 0.00 C ATOM 156 CG PRO A 13 4.252 -7.727 1.074 1.00 0.00 C ATOM 157 CD PRO A 13 3.244 -8.301 2.014 1.00 0.00 C ATOM 0 HA PRO A 13 6.218 -9.164 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.361 -6.380 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.355 -7.456 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.864 -6.839 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.516 -8.442 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.664 -7.526 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.533 -8.951 1.504 1.00 0.00 H new ATOM 165 N PRO A 14 6.694 -8.036 5.122 1.00 0.00 N ATOM 166 CA PRO A 14 7.049 -7.346 6.366 1.00 0.00 C ATOM 167 C PRO A 14 6.979 -5.835 6.217 1.00 0.00 C ATOM 168 O PRO A 14 7.294 -5.298 5.149 1.00 0.00 O ATOM 169 CB PRO A 14 8.486 -7.799 6.620 1.00 0.00 C ATOM 170 CG PRO A 14 8.568 -9.146 5.991 1.00 0.00 C ATOM 171 CD PRO A 14 7.660 -9.100 4.791 1.00 0.00 C ATOM 0 HA PRO A 14 6.367 -7.583 7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.204 -7.109 6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.705 -7.845 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.592 -9.378 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.253 -9.922 6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.212 -8.870 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.162 -10.056 4.629 1.00 0.00 H new ATOM 179 N ASP A 15 6.587 -5.178 7.317 1.00 0.00 N ATOM 180 CA ASP A 15 6.231 -3.754 7.334 1.00 0.00 C ATOM 181 C ASP A 15 7.104 -2.916 6.402 1.00 0.00 C ATOM 182 O ASP A 15 8.285 -2.682 6.660 1.00 0.00 O ATOM 183 CB ASP A 15 6.276 -3.200 8.770 1.00 0.00 C ATOM 184 CG ASP A 15 7.652 -3.251 9.413 1.00 0.00 C ATOM 185 OD1 ASP A 15 8.114 -4.356 9.774 1.00 0.00 O ATOM 186 OD2 ASP A 15 8.269 -2.176 9.591 1.00 0.00 O ATOM 0 H ASP A 15 6.508 -5.626 8.230 1.00 0.00 H new ATOM 0 HA ASP A 15 5.211 -3.679 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.930 -2.167 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.577 -3.764 9.388 1.00 0.00 H new ATOM 191 N PRO A 16 6.514 -2.478 5.279 1.00 0.00 N ATOM 192 CA PRO A 16 7.198 -1.662 4.265 1.00 0.00 C ATOM 193 C PRO A 16 7.562 -0.274 4.777 1.00 0.00 C ATOM 194 O PRO A 16 6.907 0.274 5.667 1.00 0.00 O ATOM 195 CB PRO A 16 6.173 -1.571 3.119 1.00 0.00 C ATOM 196 CG PRO A 16 5.228 -2.686 3.387 1.00 0.00 C ATOM 197 CD PRO A 16 5.131 -2.768 4.879 1.00 0.00 C ATOM 0 HA PRO A 16 8.148 -2.104 3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.662 -0.608 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.652 -1.680 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.253 -2.492 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.593 -3.622 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.426 -2.042 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.805 -3.752 5.215 1.00 0.00 H new ATOM 205 N THR A 17 8.612 0.280 4.205 1.00 0.00 N ATOM 206 CA THR A 17 9.121 1.580 4.603 1.00 0.00 C ATOM 207 C THR A 17 8.803 2.629 3.560 1.00 0.00 C ATOM 208 O THR A 17 9.010 2.428 2.364 1.00 0.00 O ATOM 209 CB THR A 17 10.645 1.528 4.822 1.00 0.00 C ATOM 210 OG1 THR A 17 10.992 0.356 5.575 1.00 0.00 O ATOM 211 CG2 THR A 17 11.137 2.768 5.555 1.00 0.00 C ATOM 0 H THR A 17 9.139 -0.158 3.449 1.00 0.00 H new ATOM 0 HA THR A 17 8.632 1.849 5.539 1.00 0.00 H new ATOM 0 HB THR A 17 11.125 1.492 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.962 0.329 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.216 2.703 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.900 3.656 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.648 2.834 6.527 1.00 0.00 H new ATOM 219 N VAL A 18 8.259 3.727 4.031 1.00 0.00 N ATOM 220 CA VAL A 18 8.032 4.894 3.189 1.00 0.00 C ATOM 221 C VAL A 18 9.342 5.657 2.994 1.00 0.00 C ATOM 222 O VAL A 18 9.985 6.074 3.960 1.00 0.00 O ATOM 223 CB VAL A 18 6.955 5.833 3.779 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.864 7.130 2.975 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.602 5.134 3.824 1.00 0.00 C ATOM 0 H VAL A 18 7.961 3.843 5.000 1.00 0.00 H new ATOM 0 HA VAL A 18 7.666 4.540 2.225 1.00 0.00 H new ATOM 0 HB VAL A 18 7.246 6.086 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.100 7.774 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.826 7.641 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.601 6.900 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.857 5.811 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.307 4.848 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.673 4.243 4.447 1.00 0.00 H new ATOM 235 N ASP A 19 9.732 5.818 1.739 1.00 0.00 N ATOM 236 CA ASP A 19 11.003 6.441 1.393 1.00 0.00 C ATOM 237 C ASP A 19 10.859 7.955 1.299 1.00 0.00 C ATOM 238 O ASP A 19 11.699 8.701 1.799 1.00 0.00 O ATOM 239 CB ASP A 19 11.503 5.886 0.060 1.00 0.00 C ATOM 240 CG ASP A 19 12.956 6.221 -0.209 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.246 7.344 -0.671 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.821 5.349 0.028 1.00 0.00 O ATOM 0 H ASP A 19 9.180 5.522 0.934 1.00 0.00 H new ATOM 0 HA ASP A 19 11.724 6.212 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.377 4.803 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.888 6.284 -0.747 1.00 0.00 H new ATOM 247 N GLN A 20 9.768 8.401 0.692 1.00 0.00 N ATOM 248 CA GLN A 20 9.548 9.821 0.445 1.00 0.00 C ATOM 249 C GLN A 20 8.132 10.211 0.820 1.00 0.00 C ATOM 250 O GLN A 20 7.184 9.467 0.568 1.00 0.00 O ATOM 251 CB GLN A 20 9.785 10.157 -1.030 1.00 0.00 C ATOM 252 CG GLN A 20 11.239 10.080 -1.465 1.00 0.00 C ATOM 253 CD GLN A 20 12.102 11.148 -0.824 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.238 12.255 -1.350 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.702 10.825 0.309 1.00 0.00 N ATOM 0 H GLN A 20 9.017 7.797 0.359 1.00 0.00 H new ATOM 0 HA GLN A 20 10.254 10.380 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.198 9.475 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.413 11.163 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.637 9.097 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.295 10.177 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.564 9.899 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.302 11.502 0.779 1.00 0.00 H new ATOM 264 N VAL A 21 8.004 11.372 1.442 1.00 0.00 N ATOM 265 CA VAL A 21 6.706 11.890 1.839 1.00 0.00 C ATOM 266 C VAL A 21 6.550 13.341 1.390 1.00 0.00 C ATOM 267 O VAL A 21 7.375 14.196 1.720 1.00 0.00 O ATOM 268 CB VAL A 21 6.498 11.803 3.368 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.123 12.320 3.756 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.694 10.379 3.867 1.00 0.00 C ATOM 0 H VAL A 21 8.789 11.976 1.684 1.00 0.00 H new ATOM 0 HA VAL A 21 5.951 11.272 1.354 1.00 0.00 H new ATOM 0 HB VAL A 21 7.249 12.434 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.999 12.249 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.025 13.361 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.357 11.722 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.542 10.347 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.975 9.720 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.706 10.048 3.634 1.00 0.00 H new ATOM 280 N ASP A 22 5.500 13.607 0.626 1.00 0.00 N ATOM 281 CA ASP A 22 5.224 14.951 0.128 1.00 0.00 C ATOM 282 C ASP A 22 3.753 15.295 0.335 1.00 0.00 C ATOM 283 O ASP A 22 3.086 14.688 1.171 1.00 0.00 O ATOM 284 CB ASP A 22 5.593 15.066 -1.357 1.00 0.00 C ATOM 285 CG ASP A 22 7.090 15.044 -1.590 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.667 13.941 -1.698 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.700 16.130 -1.669 1.00 0.00 O ATOM 0 H ASP A 22 4.819 12.905 0.335 1.00 0.00 H new ATOM 0 HA ASP A 22 5.835 15.659 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.132 14.246 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.180 15.991 -1.759 1.00 0.00 H new ATOM 292 N ASP A 23 3.255 16.268 -0.415 1.00 0.00 N ATOM 293 CA ASP A 23 1.867 16.708 -0.294 1.00 0.00 C ATOM 294 C ASP A 23 0.916 15.723 -0.958 1.00 0.00 C ATOM 295 O ASP A 23 0.020 15.176 -0.321 1.00 0.00 O ATOM 296 CB ASP A 23 1.683 18.108 -0.913 1.00 0.00 C ATOM 297 CG ASP A 23 2.047 18.188 -2.386 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.135 17.701 -2.766 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.243 18.726 -3.173 1.00 0.00 O ATOM 0 H ASP A 23 3.794 16.772 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 23 1.630 16.755 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.644 18.414 -0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.294 18.821 -0.360 1.00 0.00 H new ATOM 304 N THR A 24 1.138 15.493 -2.234 1.00 0.00 N ATOM 305 CA THR A 24 0.231 14.714 -3.050 1.00 0.00 C ATOM 306 C THR A 24 0.938 13.486 -3.611 1.00 0.00 C ATOM 307 O THR A 24 0.624 13.010 -4.699 1.00 0.00 O ATOM 308 CB THR A 24 -0.301 15.598 -4.191 1.00 0.00 C ATOM 309 OG1 THR A 24 0.801 16.209 -4.881 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.204 16.686 -3.633 1.00 0.00 C ATOM 0 H THR A 24 1.954 15.842 -2.736 1.00 0.00 H new ATOM 0 HA THR A 24 -0.603 14.370 -2.438 1.00 0.00 H new ATOM 0 HB THR A 24 -0.871 14.976 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.955 17.107 -4.520 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.575 17.306 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.046 16.229 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.640 17.305 -2.935 1.00 0.00 H new ATOM 318 N SER A 25 1.874 12.961 -2.829 1.00 0.00 N ATOM 319 CA SER A 25 2.752 11.876 -3.261 1.00 0.00 C ATOM 320 C SER A 25 3.507 11.298 -2.062 1.00 0.00 C ATOM 321 O SER A 25 4.088 12.038 -1.267 1.00 0.00 O ATOM 322 CB SER A 25 3.761 12.368 -4.311 1.00 0.00 C ATOM 323 OG SER A 25 3.115 12.837 -5.487 1.00 0.00 O ATOM 0 H SER A 25 2.047 13.276 -1.874 1.00 0.00 H new ATOM 0 HA SER A 25 2.131 11.101 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.367 13.168 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.441 11.556 -4.569 1.00 0.00 H new ATOM 0 HG SER A 25 2.168 12.588 -5.461 1.00 0.00 H new ATOM 329 N ILE A 26 3.484 9.980 -1.931 1.00 0.00 N ATOM 330 CA ILE A 26 4.238 9.280 -0.878 1.00 0.00 C ATOM 331 C ILE A 26 4.727 7.952 -1.436 1.00 0.00 C ATOM 332 O ILE A 26 4.012 7.316 -2.180 1.00 0.00 O ATOM 333 CB ILE A 26 3.381 9.026 0.401 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.183 10.313 1.203 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.016 7.967 1.289 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.354 10.120 2.460 1.00 0.00 C ATOM 0 H ILE A 26 2.950 9.362 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 26 5.074 9.913 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 26 2.408 8.668 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.158 10.714 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.700 11.056 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.395 7.813 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.100 7.031 0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.008 8.297 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.254 11.073 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.366 9.748 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.847 9.400 3.114 1.00 0.00 H new ATOM 348 N VAL A 27 5.928 7.520 -1.097 1.00 0.00 N ATOM 349 CA VAL A 27 6.453 6.308 -1.699 1.00 0.00 C ATOM 350 C VAL A 27 6.666 5.252 -0.642 1.00 0.00 C ATOM 351 O VAL A 27 7.243 5.532 0.398 1.00 0.00 O ATOM 352 CB VAL A 27 7.784 6.551 -2.417 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.223 5.278 -3.124 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.670 7.705 -3.398 1.00 0.00 C ATOM 0 H VAL A 27 6.545 7.976 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 27 5.718 5.975 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 27 8.538 6.822 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.170 5.453 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.347 4.480 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.467 4.987 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.629 7.857 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.908 7.475 -4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.392 8.612 -2.862 1.00 0.00 H new ATOM 364 N VAL A 28 6.217 4.038 -0.901 1.00 0.00 N ATOM 365 CA VAL A 28 6.368 2.979 0.072 1.00 0.00 C ATOM 366 C VAL A 28 7.022 1.768 -0.573 1.00 0.00 C ATOM 367 O VAL A 28 6.825 1.511 -1.758 1.00 0.00 O ATOM 368 CB VAL A 28 5.023 2.589 0.726 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.029 3.724 0.679 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.444 1.337 0.112 1.00 0.00 C ATOM 0 H VAL A 28 5.751 3.765 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 28 7.011 3.353 0.868 1.00 0.00 H new ATOM 0 HB VAL A 28 5.232 2.376 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.096 3.411 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.433 4.584 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.839 3.998 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.499 1.096 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.273 1.499 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.142 0.510 0.245 1.00 0.00 H new ATOM 380 N ARG A 29 7.804 1.043 0.208 1.00 0.00 N ATOM 381 CA ARG A 29 8.590 -0.076 -0.298 1.00 0.00 C ATOM 382 C ARG A 29 8.433 -1.282 0.613 1.00 0.00 C ATOM 383 O ARG A 29 8.781 -1.230 1.788 1.00 0.00 O ATOM 384 CB ARG A 29 10.069 0.331 -0.379 1.00 0.00 C ATOM 385 CG ARG A 29 10.290 1.686 -1.041 1.00 0.00 C ATOM 386 CD ARG A 29 11.732 2.155 -0.918 1.00 0.00 C ATOM 387 NE ARG A 29 12.660 1.307 -1.662 1.00 0.00 N ATOM 388 CZ ARG A 29 13.809 1.741 -2.183 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.162 3.015 -2.059 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.599 0.897 -2.833 1.00 0.00 N ATOM 0 H ARG A 29 7.914 1.210 1.208 1.00 0.00 H new ATOM 0 HA ARG A 29 8.233 -0.342 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.487 0.354 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.617 -0.430 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.019 1.623 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.629 2.424 -0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.810 3.180 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.019 2.167 0.134 1.00 0.00 H new ATOM 0 HE ARG A 29 12.415 0.325 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.554 3.667 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.041 3.342 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.328 -0.081 -2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.478 1.226 -3.232 1.00 0.00 H new ATOM 404 N TRP A 30 7.945 -2.372 0.046 1.00 0.00 N ATOM 405 CA TRP A 30 7.612 -3.571 0.818 1.00 0.00 C ATOM 406 C TRP A 30 8.533 -4.732 0.464 1.00 0.00 C ATOM 407 O TRP A 30 9.028 -4.829 -0.661 1.00 0.00 O ATOM 408 CB TRP A 30 6.135 -3.967 0.603 1.00 0.00 C ATOM 409 CG TRP A 30 5.748 -4.151 -0.824 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.890 -5.274 -1.561 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.116 -3.195 -1.669 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.437 -5.067 -2.836 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.940 -3.801 -2.923 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.693 -1.883 -1.492 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.352 -3.143 -3.991 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.105 -1.235 -2.552 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.939 -1.861 -3.783 1.00 0.00 C ATOM 0 H TRP A 30 7.767 -2.457 -0.955 1.00 0.00 H new ATOM 0 HA TRP A 30 7.758 -3.337 1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.938 -4.893 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.498 -3.200 1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.302 -6.203 -1.196 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.467 -5.748 -3.595 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.823 -1.384 -0.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.226 -3.626 -4.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.765 -0.218 -2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.472 -1.319 -4.592 1.00 0.00 H new ATOM 428 N SER A 31 8.772 -5.600 1.438 1.00 0.00 N ATOM 429 CA SER A 31 9.600 -6.777 1.233 1.00 0.00 C ATOM 430 C SER A 31 8.722 -7.997 0.976 1.00 0.00 C ATOM 431 O SER A 31 8.205 -8.605 1.907 1.00 0.00 O ATOM 432 CB SER A 31 10.494 -6.999 2.452 1.00 0.00 C ATOM 433 OG SER A 31 11.249 -5.832 2.740 1.00 0.00 O ATOM 0 H SER A 31 8.400 -5.508 2.383 1.00 0.00 H new ATOM 0 HA SER A 31 10.235 -6.623 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.882 -7.264 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.166 -7.837 2.268 1.00 0.00 H new ATOM 0 HG SER A 31 11.814 -5.993 3.524 1.00 0.00 H new ATOM 439 N ARG A 32 8.563 -8.325 -0.302 1.00 0.00 N ATOM 440 CA ARG A 32 7.655 -9.372 -0.775 1.00 0.00 C ATOM 441 C ARG A 32 7.742 -10.679 0.033 1.00 0.00 C ATOM 442 O ARG A 32 8.773 -10.993 0.634 1.00 0.00 O ATOM 443 CB ARG A 32 7.936 -9.658 -2.251 1.00 0.00 C ATOM 444 CG ARG A 32 8.032 -8.407 -3.108 1.00 0.00 C ATOM 445 CD ARG A 32 9.423 -7.794 -3.076 1.00 0.00 C ATOM 446 NE ARG A 32 9.879 -7.412 -4.409 1.00 0.00 N ATOM 447 CZ ARG A 32 11.150 -7.475 -4.805 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.095 -7.884 -3.965 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.471 -7.128 -6.043 1.00 0.00 N ATOM 0 H ARG A 32 9.071 -7.863 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 32 6.642 -8.994 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.869 -10.216 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.146 -10.298 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.769 -8.652 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.305 -7.673 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.419 -6.917 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.124 -8.507 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 32 9.184 -7.077 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.849 -8.152 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.066 -7.930 -4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.747 -6.814 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.443 -7.175 -6.350 1.00 0.00 H new ATOM 463 N PRO A 33 6.649 -11.472 -0.001 1.00 0.00 N ATOM 464 CA PRO A 33 6.447 -12.659 0.840 1.00 0.00 C ATOM 465 C PRO A 33 7.202 -13.882 0.352 1.00 0.00 C ATOM 466 O PRO A 33 7.762 -13.900 -0.744 1.00 0.00 O ATOM 467 CB PRO A 33 4.934 -12.932 0.718 1.00 0.00 C ATOM 468 CG PRO A 33 4.375 -11.792 -0.059 1.00 0.00 C ATOM 469 CD PRO A 33 5.506 -11.294 -0.891 1.00 0.00 C ATOM 0 HA PRO A 33 6.807 -12.477 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.748 -13.879 0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.469 -13.000 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.539 -12.112 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.999 -11.011 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.615 -11.866 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.372 -10.251 -1.177 1.00 0.00 H new ATOM 477 N GLN A 34 7.198 -14.909 1.189 1.00 0.00 N ATOM 478 CA GLN A 34 7.753 -16.202 0.837 1.00 0.00 C ATOM 479 C GLN A 34 6.777 -16.935 -0.080 1.00 0.00 C ATOM 480 O GLN A 34 7.148 -17.857 -0.810 1.00 0.00 O ATOM 481 CB GLN A 34 8.015 -17.005 2.106 1.00 0.00 C ATOM 482 CG GLN A 34 8.601 -18.386 1.870 1.00 0.00 C ATOM 483 CD GLN A 34 8.826 -19.141 3.165 1.00 0.00 C ATOM 484 OE1 GLN A 34 8.108 -18.943 4.147 1.00 0.00 O ATOM 485 NE2 GLN A 34 9.822 -20.011 3.175 1.00 0.00 N ATOM 0 H GLN A 34 6.809 -14.867 2.131 1.00 0.00 H new ATOM 0 HA GLN A 34 8.698 -16.074 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.695 -16.440 2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.078 -17.111 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.931 -18.959 1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.547 -18.291 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.392 -20.144 2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.020 -20.549 4.018 1.00 0.00 H new ATOM 494 N ALA A 35 5.521 -16.508 -0.021 1.00 0.00 N ATOM 495 CA ALA A 35 4.479 -17.030 -0.890 1.00 0.00 C ATOM 496 C ALA A 35 4.690 -16.573 -2.321 1.00 0.00 C ATOM 497 O ALA A 35 5.042 -15.416 -2.557 1.00 0.00 O ATOM 498 CB ALA A 35 3.114 -16.550 -0.424 1.00 0.00 C ATOM 0 H ALA A 35 5.199 -15.792 0.630 1.00 0.00 H new ATOM 0 HA ALA A 35 4.526 -18.118 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.343 -16.949 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.935 -16.896 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.084 -15.461 -0.447 1.00 0.00 H new ATOM 504 N PRO A 36 4.501 -17.465 -3.298 1.00 0.00 N ATOM 505 CA PRO A 36 4.420 -17.059 -4.690 1.00 0.00 C ATOM 506 C PRO A 36 3.085 -16.376 -4.943 1.00 0.00 C ATOM 507 O PRO A 36 2.032 -17.002 -4.850 1.00 0.00 O ATOM 508 CB PRO A 36 4.514 -18.376 -5.474 1.00 0.00 C ATOM 509 CG PRO A 36 4.844 -19.432 -4.467 1.00 0.00 C ATOM 510 CD PRO A 36 4.370 -18.916 -3.139 1.00 0.00 C ATOM 0 HA PRO A 36 5.200 -16.354 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.574 -18.598 -5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.283 -18.318 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.353 -20.373 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.916 -19.628 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.341 -19.210 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.980 -19.291 -2.317 1.00 0.00 H new ATOM 518 N ILE A 37 3.137 -15.098 -5.267 1.00 0.00 N ATOM 519 CA ILE A 37 1.936 -14.288 -5.414 1.00 0.00 C ATOM 520 C ILE A 37 1.754 -13.904 -6.884 1.00 0.00 C ATOM 521 O ILE A 37 2.696 -13.995 -7.667 1.00 0.00 O ATOM 522 CB ILE A 37 2.022 -13.010 -4.541 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.206 -12.157 -5.010 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.118 -13.355 -3.040 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.158 -11.742 -3.916 1.00 0.00 C ATOM 0 H ILE A 37 4.006 -14.591 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 37 1.079 -14.873 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 37 1.106 -12.432 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.762 -12.715 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.820 -11.261 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.177 -12.435 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.235 -13.919 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.010 -13.955 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.963 -11.143 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.622 -11.153 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.578 -12.630 -3.443 1.00 0.00 H new ATOM 537 N THR A 38 0.539 -13.522 -7.261 1.00 0.00 N ATOM 538 CA THR A 38 0.245 -13.143 -8.639 1.00 0.00 C ATOM 539 C THR A 38 0.376 -11.640 -8.888 1.00 0.00 C ATOM 540 O THR A 38 0.734 -11.224 -9.991 1.00 0.00 O ATOM 541 CB THR A 38 -1.159 -13.600 -9.054 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.085 -13.391 -7.982 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.146 -15.054 -9.451 1.00 0.00 C ATOM 0 H THR A 38 -0.261 -13.466 -6.630 1.00 0.00 H new ATOM 0 HA THR A 38 0.994 -13.650 -9.248 1.00 0.00 H new ATOM 0 HB THR A 38 -1.474 -13.008 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.978 -13.685 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.151 -15.361 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.466 -15.196 -10.291 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.812 -15.658 -8.608 1.00 0.00 H new ATOM 551 N GLY A 39 0.080 -10.826 -7.888 1.00 0.00 N ATOM 552 CA GLY A 39 0.198 -9.397 -8.058 1.00 0.00 C ATOM 553 C GLY A 39 0.104 -8.673 -6.743 1.00 0.00 C ATOM 554 O GLY A 39 0.228 -9.299 -5.700 1.00 0.00 O ATOM 0 H GLY A 39 -0.238 -11.128 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.150 -9.164 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.588 -9.043 -8.726 1.00 0.00 H new ATOM 558 N TYR A 40 -0.117 -7.368 -6.787 1.00 0.00 N ATOM 559 CA TYR A 40 -0.308 -6.572 -5.581 1.00 0.00 C ATOM 560 C TYR A 40 -1.389 -5.533 -5.771 1.00 0.00 C ATOM 561 O TYR A 40 -1.440 -4.859 -6.798 1.00 0.00 O ATOM 562 CB TYR A 40 0.973 -5.839 -5.185 1.00 0.00 C ATOM 563 CG TYR A 40 1.899 -6.640 -4.308 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.361 -7.881 -4.699 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.334 -6.137 -3.095 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.225 -8.599 -3.914 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.193 -6.856 -2.297 1.00 0.00 C ATOM 568 CZ TYR A 40 3.635 -8.083 -2.714 1.00 0.00 C ATOM 569 OH TYR A 40 4.509 -8.788 -1.937 1.00 0.00 O ATOM 0 H TYR A 40 -0.169 -6.832 -7.653 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.595 -7.273 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.507 -5.551 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.706 -4.919 -4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.035 -8.294 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.994 -5.165 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.580 -9.565 -4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.517 -6.455 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 40 5.387 -8.811 -2.371 1.00 0.00 H new ATOM 579 N ARG A 41 -2.254 -5.410 -4.781 1.00 0.00 N ATOM 580 CA ARG A 41 -3.159 -4.275 -4.714 1.00 0.00 C ATOM 581 C ARG A 41 -2.651 -3.310 -3.677 1.00 0.00 C ATOM 582 O ARG A 41 -1.966 -3.707 -2.755 1.00 0.00 O ATOM 583 CB ARG A 41 -4.546 -4.707 -4.325 1.00 0.00 C ATOM 584 CG ARG A 41 -4.937 -6.038 -4.921 1.00 0.00 C ATOM 585 CD ARG A 41 -6.225 -6.557 -4.307 1.00 0.00 C ATOM 586 NE ARG A 41 -7.282 -5.546 -4.339 1.00 0.00 N ATOM 587 CZ ARG A 41 -8.379 -5.580 -3.585 1.00 0.00 C ATOM 588 NH1 ARG A 41 -8.590 -6.582 -2.739 1.00 0.00 N ATOM 589 NH2 ARG A 41 -9.261 -4.594 -3.667 1.00 0.00 N ATOM 0 H ARG A 41 -2.350 -6.077 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.201 -3.809 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.610 -4.768 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.260 -3.948 -4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.061 -5.935 -5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.137 -6.761 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.554 -7.445 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.041 -6.860 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.171 -4.762 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.908 -7.336 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.434 -6.597 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.097 -3.815 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.103 -4.614 -3.092 1.00 0.00 H new ATOM 603 N ILE A 42 -2.930 -2.045 -3.842 1.00 0.00 N ATOM 604 CA ILE A 42 -2.472 -1.058 -2.872 1.00 0.00 C ATOM 605 C ILE A 42 -3.522 -0.006 -2.591 1.00 0.00 C ATOM 606 O ILE A 42 -3.732 0.876 -3.406 1.00 0.00 O ATOM 607 CB ILE A 42 -1.195 -0.370 -3.383 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.184 -1.422 -3.812 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.607 0.537 -2.311 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.925 -0.888 -4.668 1.00 0.00 C ATOM 0 H ILE A 42 -3.464 -1.666 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.268 -1.591 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.447 0.250 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.247 -1.882 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.704 -2.209 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.296 1.014 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.335 1.302 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.360 -0.055 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.604 -1.699 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.507 -0.454 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.472 -0.122 -4.119 1.00 0.00 H new ATOM 622 N VAL A 43 -4.126 -0.053 -1.412 1.00 0.00 N ATOM 623 CA VAL A 43 -5.153 0.919 -1.062 1.00 0.00 C ATOM 624 C VAL A 43 -4.622 1.921 -0.058 1.00 0.00 C ATOM 625 O VAL A 43 -4.381 1.593 1.099 1.00 0.00 O ATOM 626 CB VAL A 43 -6.426 0.265 -0.486 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.395 1.323 0.002 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.095 -0.621 -1.520 1.00 0.00 C ATOM 0 H VAL A 43 -3.926 -0.745 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.422 1.421 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.131 -0.356 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.286 0.842 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.921 1.919 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.676 1.970 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.990 -1.070 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.371 -0.022 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.405 -1.408 -1.826 1.00 0.00 H new ATOM 638 N TYR A 44 -4.449 3.141 -0.509 1.00 0.00 N ATOM 639 CA TYR A 44 -4.026 4.217 0.350 1.00 0.00 C ATOM 640 C TYR A 44 -5.136 5.223 0.485 1.00 0.00 C ATOM 641 O TYR A 44 -5.691 5.710 -0.513 1.00 0.00 O ATOM 642 CB TYR A 44 -2.726 4.864 -0.143 1.00 0.00 C ATOM 643 CG TYR A 44 -2.599 4.970 -1.647 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.367 3.838 -2.420 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.684 6.195 -2.290 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.223 3.920 -3.785 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.547 6.290 -3.658 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.315 5.154 -4.403 1.00 0.00 C ATOM 649 OH TYR A 44 -2.163 5.260 -5.763 1.00 0.00 O ATOM 0 H TYR A 44 -4.598 3.413 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.807 3.808 1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.649 5.863 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.883 4.288 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.298 2.874 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.860 7.089 -1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.040 3.030 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.621 7.251 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.259 6.198 -6.031 1.00 0.00 H new ATOM 659 N SER A 45 -5.475 5.483 1.731 1.00 0.00 N ATOM 660 CA SER A 45 -6.617 6.315 2.061 1.00 0.00 C ATOM 661 C SER A 45 -6.315 7.257 3.227 1.00 0.00 C ATOM 662 O SER A 45 -5.599 6.894 4.158 1.00 0.00 O ATOM 663 CB SER A 45 -7.800 5.414 2.413 1.00 0.00 C ATOM 664 OG SER A 45 -7.431 4.456 3.392 1.00 0.00 O ATOM 0 H SER A 45 -4.970 5.126 2.542 1.00 0.00 H new ATOM 0 HA SER A 45 -6.855 6.933 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.626 6.020 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.155 4.906 1.516 1.00 0.00 H new ATOM 0 HG SER A 45 -8.203 3.891 3.604 1.00 0.00 H new ATOM 670 N PRO A 46 -6.861 8.482 3.186 1.00 0.00 N ATOM 671 CA PRO A 46 -6.740 9.449 4.281 1.00 0.00 C ATOM 672 C PRO A 46 -7.626 9.069 5.461 1.00 0.00 C ATOM 673 O PRO A 46 -8.779 8.667 5.285 1.00 0.00 O ATOM 674 CB PRO A 46 -7.223 10.762 3.669 1.00 0.00 C ATOM 675 CG PRO A 46 -7.425 10.500 2.214 1.00 0.00 C ATOM 676 CD PRO A 46 -7.646 9.027 2.077 1.00 0.00 C ATOM 0 HA PRO A 46 -5.723 9.500 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.151 11.090 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.491 11.555 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.281 11.058 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.556 10.818 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.701 8.766 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.300 8.653 1.113 1.00 0.00 H new ATOM 744 N SER A 52 -8.396 8.627 -2.088 1.00 0.00 N ATOM 745 CA SER A 52 -7.941 7.262 -1.860 1.00 0.00 C ATOM 746 C SER A 52 -7.733 6.556 -3.188 1.00 0.00 C ATOM 747 O SER A 52 -8.441 6.830 -4.159 1.00 0.00 O ATOM 748 CB SER A 52 -8.944 6.496 -0.988 1.00 0.00 C ATOM 749 OG SER A 52 -10.277 6.713 -1.427 1.00 0.00 O ATOM 0 HA SER A 52 -6.990 7.293 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.717 5.430 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.844 6.813 0.050 1.00 0.00 H new ATOM 0 HG SER A 52 -10.325 7.557 -1.923 1.00 0.00 H new ATOM 755 N THR A 53 -6.751 5.672 -3.256 1.00 0.00 N ATOM 756 CA THR A 53 -6.481 4.969 -4.504 1.00 0.00 C ATOM 757 C THR A 53 -5.954 3.553 -4.262 1.00 0.00 C ATOM 758 O THR A 53 -5.301 3.293 -3.253 1.00 0.00 O ATOM 759 CB THR A 53 -5.480 5.766 -5.368 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.988 7.083 -5.611 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.218 5.078 -6.698 1.00 0.00 C ATOM 0 H THR A 53 -6.137 5.426 -2.480 1.00 0.00 H new ATOM 0 HA THR A 53 -7.428 4.883 -5.037 1.00 0.00 H new ATOM 0 HB THR A 53 -4.540 5.822 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.348 7.585 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.509 5.668 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.804 4.086 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.153 4.987 -7.251 1.00 0.00 H new ATOM 769 N GLU A 54 -6.276 2.645 -5.184 1.00 0.00 N ATOM 770 CA GLU A 54 -5.725 1.304 -5.195 1.00 0.00 C ATOM 771 C GLU A 54 -4.862 1.112 -6.441 1.00 0.00 C ATOM 772 O GLU A 54 -5.369 1.159 -7.563 1.00 0.00 O ATOM 773 CB GLU A 54 -6.838 0.250 -5.178 1.00 0.00 C ATOM 774 CG GLU A 54 -6.322 -1.174 -4.997 1.00 0.00 C ATOM 775 CD GLU A 54 -7.402 -2.230 -5.144 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.479 -2.089 -4.526 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.180 -3.214 -5.883 1.00 0.00 O ATOM 0 H GLU A 54 -6.930 2.827 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.117 1.178 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.535 0.481 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.399 0.309 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.537 -1.364 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.867 -1.265 -4.011 1.00 0.00 H new ATOM 784 N LEU A 55 -3.564 0.907 -6.254 1.00 0.00 N ATOM 785 CA LEU A 55 -2.687 0.625 -7.385 1.00 0.00 C ATOM 786 C LEU A 55 -2.492 -0.868 -7.530 1.00 0.00 C ATOM 787 O LEU A 55 -2.731 -1.625 -6.592 1.00 0.00 O ATOM 788 CB LEU A 55 -1.324 1.351 -7.285 1.00 0.00 C ATOM 789 CG LEU A 55 -1.410 2.868 -7.426 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.044 3.476 -7.679 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.375 3.264 -8.534 1.00 0.00 C ATOM 0 H LEU A 55 -3.100 0.930 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.177 1.014 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.868 1.112 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.661 0.963 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.790 3.260 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.139 4.558 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.618 3.242 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.372 3.066 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.415 4.351 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.033 2.846 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.369 2.880 -8.305 1.00 0.00 H new ATOM 803 N ASN A 56 -2.120 -1.289 -8.721 1.00 0.00 N ATOM 804 CA ASN A 56 -1.865 -2.691 -8.988 1.00 0.00 C ATOM 805 C ASN A 56 -0.432 -2.860 -9.448 1.00 0.00 C ATOM 806 O ASN A 56 -0.042 -2.341 -10.497 1.00 0.00 O ATOM 807 CB ASN A 56 -2.825 -3.227 -10.055 1.00 0.00 C ATOM 808 CG ASN A 56 -2.675 -4.721 -10.274 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.872 -5.166 -11.095 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.451 -5.506 -9.543 1.00 0.00 N ATOM 0 H ASN A 56 -1.987 -0.676 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.026 -3.259 -8.072 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.851 -3.008 -9.759 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.646 -2.705 -10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.396 -6.519 -9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.103 -5.098 -8.874 1.00 0.00 H new ATOM 817 N LEU A 57 0.356 -3.567 -8.662 1.00 0.00 N ATOM 818 CA LEU A 57 1.755 -3.749 -8.967 1.00 0.00 C ATOM 819 C LEU A 57 1.999 -5.204 -9.283 1.00 0.00 C ATOM 820 O LEU A 57 1.215 -6.063 -8.898 1.00 0.00 O ATOM 821 CB LEU A 57 2.653 -3.290 -7.799 1.00 0.00 C ATOM 822 CG LEU A 57 2.730 -1.784 -7.556 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.098 -1.411 -7.030 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.423 -0.998 -8.805 1.00 0.00 C ATOM 0 H LEU A 57 0.046 -4.025 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 57 2.012 -3.134 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.296 -3.766 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.663 -3.660 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 57 1.974 -1.531 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.142 -0.335 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.282 -1.934 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.858 -1.695 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.489 0.068 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.142 -1.256 -9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.416 -1.238 -9.147 1.00 0.00 H new ATOM 836 N PRO A 58 3.051 -5.499 -10.037 1.00 0.00 N ATOM 837 CA PRO A 58 3.421 -6.873 -10.326 1.00 0.00 C ATOM 838 C PRO A 58 3.812 -7.620 -9.056 1.00 0.00 C ATOM 839 O PRO A 58 4.281 -7.029 -8.085 1.00 0.00 O ATOM 840 CB PRO A 58 4.616 -6.749 -11.279 1.00 0.00 C ATOM 841 CG PRO A 58 5.101 -5.345 -11.151 1.00 0.00 C ATOM 842 CD PRO A 58 3.936 -4.519 -10.680 1.00 0.00 C ATOM 0 HA PRO A 58 2.597 -7.440 -10.759 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.401 -7.458 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.321 -6.968 -12.305 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.927 -5.285 -10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.473 -4.977 -12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.251 -3.745 -9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.440 -4.016 -11.510 1.00 0.00 H new ATOM 850 N GLU A 59 3.579 -8.927 -9.086 1.00 0.00 N ATOM 851 CA GLU A 59 3.915 -9.851 -7.991 1.00 0.00 C ATOM 852 C GLU A 59 5.318 -9.623 -7.427 1.00 0.00 C ATOM 853 O GLU A 59 5.579 -9.892 -6.257 1.00 0.00 O ATOM 854 CB GLU A 59 3.822 -11.288 -8.506 1.00 0.00 C ATOM 855 CG GLU A 59 4.703 -11.553 -9.720 1.00 0.00 C ATOM 856 CD GLU A 59 4.684 -12.999 -10.167 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.803 -13.369 -10.968 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.562 -13.772 -9.731 1.00 0.00 O ATOM 0 H GLU A 59 3.143 -9.390 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 59 3.204 -9.667 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.104 -11.972 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.786 -11.508 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.374 -10.920 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.728 -11.265 -9.487 1.00 0.00 H new ATOM 865 N THR A 60 6.208 -9.130 -8.262 1.00 0.00 N ATOM 866 CA THR A 60 7.602 -8.968 -7.890 1.00 0.00 C ATOM 867 C THR A 60 7.931 -7.498 -7.607 1.00 0.00 C ATOM 868 O THR A 60 9.094 -7.123 -7.447 1.00 0.00 O ATOM 869 CB THR A 60 8.523 -9.535 -8.996 1.00 0.00 C ATOM 870 OG1 THR A 60 9.902 -9.413 -8.628 1.00 0.00 O ATOM 871 CG2 THR A 60 8.279 -8.831 -10.322 1.00 0.00 C ATOM 0 H THR A 60 5.990 -8.831 -9.213 1.00 0.00 H new ATOM 0 HA THR A 60 7.777 -9.529 -6.972 1.00 0.00 H new ATOM 0 HB THR A 60 8.284 -10.592 -9.112 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.015 -8.641 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.939 -9.248 -11.082 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.241 -8.974 -10.624 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.481 -7.766 -10.211 1.00 0.00 H new ATOM 879 N ALA A 61 6.903 -6.666 -7.512 1.00 0.00 N ATOM 880 CA ALA A 61 7.099 -5.258 -7.206 1.00 0.00 C ATOM 881 C ALA A 61 7.419 -5.096 -5.735 1.00 0.00 C ATOM 882 O ALA A 61 7.130 -5.986 -4.935 1.00 0.00 O ATOM 883 CB ALA A 61 5.871 -4.444 -7.568 1.00 0.00 C ATOM 0 H ALA A 61 5.929 -6.941 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 61 7.934 -4.888 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.046 -3.395 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.670 -4.544 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.014 -4.807 -7.001 1.00 0.00 H new ATOM 889 N ASN A 62 8.013 -3.977 -5.373 1.00 0.00 N ATOM 890 CA ASN A 62 8.409 -3.761 -3.996 1.00 0.00 C ATOM 891 C ASN A 62 8.295 -2.300 -3.592 1.00 0.00 C ATOM 892 O ASN A 62 8.871 -1.897 -2.590 1.00 0.00 O ATOM 893 CB ASN A 62 9.844 -4.250 -3.772 1.00 0.00 C ATOM 894 CG ASN A 62 10.873 -3.470 -4.575 1.00 0.00 C ATOM 895 OD1 ASN A 62 11.141 -3.783 -5.736 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.470 -2.465 -3.957 1.00 0.00 N ATOM 0 H ASN A 62 8.231 -3.209 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 62 7.725 -4.334 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.086 -4.174 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.908 -5.305 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.181 -1.918 -4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.220 -2.237 -2.995 1.00 0.00 H new ATOM 903 N SER A 63 7.550 -1.504 -4.352 1.00 0.00 N ATOM 904 CA SER A 63 7.398 -0.094 -4.020 1.00 0.00 C ATOM 905 C SER A 63 6.342 0.582 -4.893 1.00 0.00 C ATOM 906 O SER A 63 6.325 0.405 -6.110 1.00 0.00 O ATOM 907 CB SER A 63 8.740 0.625 -4.190 1.00 0.00 C ATOM 908 OG SER A 63 9.276 0.401 -5.485 1.00 0.00 O ATOM 0 H SER A 63 7.050 -1.805 -5.188 1.00 0.00 H new ATOM 0 HA SER A 63 7.069 -0.030 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.607 1.695 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.443 0.273 -3.435 1.00 0.00 H new ATOM 0 HG SER A 63 10.132 0.871 -5.571 1.00 0.00 H new ATOM 914 N VAL A 64 5.473 1.363 -4.267 1.00 0.00 N ATOM 915 CA VAL A 64 4.482 2.152 -4.991 1.00 0.00 C ATOM 916 C VAL A 64 4.692 3.635 -4.712 1.00 0.00 C ATOM 917 O VAL A 64 4.957 4.031 -3.567 1.00 0.00 O ATOM 918 CB VAL A 64 3.022 1.785 -4.622 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.820 1.807 -3.133 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.058 2.721 -5.289 1.00 0.00 C ATOM 0 H VAL A 64 5.433 1.468 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 64 4.626 1.926 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 64 2.831 0.773 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.787 1.546 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.490 1.086 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.036 2.805 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.038 2.447 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.258 3.742 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.176 2.655 -6.371 1.00 0.00 H new ATOM 930 N THR A 65 4.613 4.444 -5.758 1.00 0.00 N ATOM 931 CA THR A 65 4.557 5.868 -5.610 1.00 0.00 C ATOM 932 C THR A 65 3.098 6.319 -5.640 1.00 0.00 C ATOM 933 O THR A 65 2.480 6.416 -6.703 1.00 0.00 O ATOM 934 CB THR A 65 5.340 6.523 -6.747 1.00 0.00 C ATOM 935 OG1 THR A 65 6.726 6.161 -6.654 1.00 0.00 O ATOM 936 CG2 THR A 65 5.195 8.040 -6.730 1.00 0.00 C ATOM 0 H THR A 65 4.587 4.121 -6.725 1.00 0.00 H new ATOM 0 HA THR A 65 5.000 6.164 -4.659 1.00 0.00 H new ATOM 0 HB THR A 65 4.929 6.161 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.224 6.582 -7.386 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.766 8.469 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.144 8.306 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.572 8.431 -5.785 1.00 0.00 H new ATOM 944 N LEU A 66 2.559 6.568 -4.464 1.00 0.00 N ATOM 945 CA LEU A 66 1.185 7.007 -4.313 1.00 0.00 C ATOM 946 C LEU A 66 1.081 8.457 -4.717 1.00 0.00 C ATOM 947 O LEU A 66 1.916 9.279 -4.315 1.00 0.00 O ATOM 948 CB LEU A 66 0.724 6.880 -2.871 1.00 0.00 C ATOM 949 CG LEU A 66 1.487 5.887 -2.014 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.265 6.201 -0.563 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.045 4.473 -2.333 1.00 0.00 C ATOM 0 H LEU A 66 3.063 6.472 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 66 0.556 6.379 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.790 7.861 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.329 6.597 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 66 2.552 5.966 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.813 5.487 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.619 7.210 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.201 6.134 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.600 3.770 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.022 4.371 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.239 4.260 -3.384 1.00 0.00 H new ATOM 963 N SER A 67 0.042 8.775 -5.460 1.00 0.00 N ATOM 964 CA SER A 67 -0.099 10.091 -6.033 1.00 0.00 C ATOM 965 C SER A 67 -1.505 10.611 -5.769 1.00 0.00 C ATOM 966 O SER A 67 -2.395 9.839 -5.402 1.00 0.00 O ATOM 967 CB SER A 67 0.196 10.032 -7.535 1.00 0.00 C ATOM 968 OG SER A 67 0.440 11.321 -8.072 1.00 0.00 O ATOM 0 H SER A 67 -0.720 8.134 -5.681 1.00 0.00 H new ATOM 0 HA SER A 67 0.613 10.776 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.062 9.394 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.647 9.575 -8.054 1.00 0.00 H new ATOM 0 HG SER A 67 0.626 11.246 -9.031 1.00 0.00 H new ATOM 974 N ASP A 68 -1.686 11.914 -5.952 1.00 0.00 N ATOM 975 CA ASP A 68 -2.956 12.584 -5.684 1.00 0.00 C ATOM 976 C ASP A 68 -3.369 12.395 -4.224 1.00 0.00 C ATOM 977 O ASP A 68 -4.479 11.967 -3.924 1.00 0.00 O ATOM 978 CB ASP A 68 -4.050 12.078 -6.635 1.00 0.00 C ATOM 979 CG ASP A 68 -5.339 12.877 -6.543 1.00 0.00 C ATOM 980 OD1 ASP A 68 -5.277 14.113 -6.375 1.00 0.00 O ATOM 981 OD2 ASP A 68 -6.429 12.268 -6.651 1.00 0.00 O ATOM 0 H ASP A 68 -0.955 12.539 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.824 13.651 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.679 12.116 -7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.261 11.032 -6.412 1.00 0.00 H new ATOM 986 N LEU A 69 -2.444 12.689 -3.316 1.00 0.00 N ATOM 987 CA LEU A 69 -2.755 12.710 -1.890 1.00 0.00 C ATOM 988 C LEU A 69 -3.205 14.112 -1.499 1.00 0.00 C ATOM 989 O LEU A 69 -3.341 14.987 -2.354 1.00 0.00 O ATOM 990 CB LEU A 69 -1.549 12.322 -1.020 1.00 0.00 C ATOM 991 CG LEU A 69 -0.675 11.180 -1.512 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.480 10.987 -0.556 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.491 9.910 -1.596 1.00 0.00 C ATOM 0 H LEU A 69 -1.475 12.916 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.543 11.977 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.919 13.204 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.918 12.061 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.289 11.418 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.109 10.168 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.069 11.903 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.095 10.751 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.860 9.095 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.884 9.664 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.319 10.055 -2.290 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.452 14.320 -0.219 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.781 15.640 0.285 1.00 0.00 C ATOM 1007 C GLN A 70 -2.795 16.023 1.389 1.00 0.00 C ATOM 1008 O GLN A 70 -2.601 15.262 2.336 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.219 15.650 0.803 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.709 17.019 1.251 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.757 18.024 0.117 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.973 17.666 -1.040 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.556 19.291 0.441 1.00 0.00 N ATOM 0 H GLN A 70 -3.431 13.589 0.492 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.703 16.374 -0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.879 15.279 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.297 14.956 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.704 16.920 1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.054 17.395 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.380 19.547 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.577 20.011 -0.281 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.129 17.187 1.257 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.130 17.655 2.231 1.00 0.00 C ATOM 1024 C PRO A 71 -1.708 17.886 3.623 1.00 0.00 C ATOM 1025 O PRO A 71 -2.821 18.393 3.770 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.635 18.974 1.647 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.682 19.396 0.674 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.286 18.131 0.139 1.00 0.00 C ATOM 0 HA PRO A 71 -0.347 16.910 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.500 19.723 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.330 18.848 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.438 20.014 1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.250 19.992 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.334 18.267 -0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.769 17.785 -0.756 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.937 17.518 4.642 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.368 17.701 6.014 1.00 0.00 C ATOM 1038 C GLY A 72 -2.403 16.681 6.420 1.00 0.00 C ATOM 1039 O GLY A 72 -3.257 16.950 7.267 1.00 0.00 O ATOM 0 H GLY A 72 -0.015 17.094 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.507 17.628 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.779 18.703 6.135 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.333 15.504 5.818 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.322 14.466 6.058 1.00 0.00 C ATOM 1045 C VAL A 73 -2.655 13.130 6.355 1.00 0.00 C ATOM 1046 O VAL A 73 -1.570 12.831 5.853 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.272 14.314 4.850 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.319 13.265 5.097 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.978 15.604 4.520 1.00 0.00 C ATOM 0 H VAL A 73 -1.600 15.244 5.158 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.904 14.769 6.928 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.639 14.019 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.968 13.187 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.836 12.304 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.913 13.542 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.635 15.450 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.568 15.926 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.241 16.370 4.279 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.316 12.340 7.185 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.839 11.031 7.563 1.00 0.00 C ATOM 1061 C GLN A 74 -3.225 10.024 6.492 1.00 0.00 C ATOM 1062 O GLN A 74 -4.392 9.934 6.109 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.471 10.649 8.893 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.548 9.891 9.834 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.997 8.621 9.232 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.615 7.564 9.310 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.816 8.708 8.645 1.00 0.00 N ATOM 0 H GLN A 74 -4.205 12.596 7.616 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.754 11.038 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.813 11.556 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.353 10.039 8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.720 10.539 10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.091 9.647 10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.334 9.606 8.600 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.387 7.878 8.236 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.254 9.272 6.013 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.488 8.336 4.928 1.00 0.00 C ATOM 1078 C TYR A 75 -2.127 6.911 5.302 1.00 0.00 C ATOM 1079 O TYR A 75 -0.976 6.596 5.580 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.714 8.762 3.683 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.569 9.532 2.711 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.788 10.894 2.868 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.178 8.885 1.645 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.587 11.589 1.982 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.978 9.573 0.759 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.179 10.923 0.930 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.982 11.607 0.050 1.00 0.00 O ATOM 0 H TYR A 75 -1.294 9.290 6.357 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.557 8.355 4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.863 9.376 3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.312 7.878 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.328 11.416 3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.022 7.825 1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.747 12.649 2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.445 9.055 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.319 10.990 -0.633 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.133 6.056 5.318 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.932 4.628 5.508 1.00 0.00 C ATOM 1099 C ASN A 76 -2.638 3.971 4.167 1.00 0.00 C ATOM 1100 O ASN A 76 -3.500 3.949 3.282 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.177 3.965 6.121 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.421 4.329 7.576 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.049 5.534 7.968 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -4.958 3.529 8.343 1.00 0.00 N flip ATOM 0 H ASN A 76 -4.109 6.328 5.200 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.092 4.496 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.052 4.248 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.076 2.883 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.233 2.606 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.128 3.789 9.314 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.418 3.475 4.004 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.066 2.685 2.833 1.00 0.00 C ATOM 1113 C ILE A 77 -1.201 1.218 3.162 1.00 0.00 C ATOM 1114 O ILE A 77 -0.502 0.693 4.030 1.00 0.00 O ATOM 1115 CB ILE A 77 0.369 2.946 2.321 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.575 4.397 1.923 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.704 2.063 1.127 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.959 5.319 3.060 1.00 0.00 C ATOM 0 H ILE A 77 -0.656 3.606 4.669 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.751 2.984 2.040 1.00 0.00 H new ATOM 0 HB ILE A 77 1.034 2.706 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.351 4.443 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.343 4.768 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.720 2.273 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.626 1.015 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.006 2.268 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.084 6.333 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.175 5.310 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.895 4.979 3.503 1.00 0.00 H new ATOM 1130 N THR A 78 -2.117 0.577 2.484 1.00 0.00 N ATOM 1131 CA THR A 78 -2.386 -0.809 2.699 1.00 0.00 C ATOM 1132 C THR A 78 -1.891 -1.635 1.511 1.00 0.00 C ATOM 1133 O THR A 78 -2.417 -1.504 0.401 1.00 0.00 O ATOM 1134 CB THR A 78 -3.892 -0.998 2.878 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.382 -0.066 3.854 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.221 -2.416 3.311 1.00 0.00 C ATOM 0 H THR A 78 -2.697 1.010 1.765 1.00 0.00 H new ATOM 0 HA THR A 78 -1.863 -1.148 3.594 1.00 0.00 H new ATOM 0 HB THR A 78 -4.376 -0.816 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.348 -0.187 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.300 -2.519 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.871 -3.118 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.729 -2.630 4.260 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.879 -2.473 1.732 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.350 -3.307 0.645 1.00 0.00 C ATOM 1146 C ILE A 79 -1.013 -4.681 0.688 1.00 0.00 C ATOM 1147 O ILE A 79 -1.210 -5.253 1.755 1.00 0.00 O ATOM 1148 CB ILE A 79 1.195 -3.529 0.677 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.015 -2.265 0.893 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.665 -4.134 -0.618 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.630 -1.096 0.026 1.00 0.00 C ATOM 0 H ILE A 79 -0.415 -2.594 2.632 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.576 -2.757 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 79 1.355 -4.188 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.926 -1.967 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.065 -2.498 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.744 -4.282 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.172 -5.094 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.420 -3.464 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.272 -0.246 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.748 -1.367 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.591 -0.828 0.217 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.359 -5.195 -0.472 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.006 -6.487 -0.592 1.00 0.00 C ATOM 1165 C TYR A 80 -1.210 -7.388 -1.528 1.00 0.00 C ATOM 1166 O TYR A 80 -1.178 -7.141 -2.740 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.411 -6.330 -1.188 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.359 -5.432 -0.421 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.440 -4.061 -0.683 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.206 -5.967 0.541 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.340 -3.265 -0.003 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.101 -5.172 1.226 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.166 -3.826 0.950 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.069 -3.034 1.623 1.00 0.00 O ATOM 0 H TYR A 80 -1.199 -4.727 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.063 -6.923 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.313 -5.941 -2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.863 -7.319 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.791 -3.620 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.163 -7.024 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.398 -2.208 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.748 -5.604 1.975 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.575 -3.582 2.259 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.597 -8.431 -0.981 1.00 0.00 N ATOM 1185 CA ALA A 81 0.030 -9.455 -1.805 1.00 0.00 C ATOM 1186 C ALA A 81 -1.045 -10.410 -2.283 1.00 0.00 C ATOM 1187 O ALA A 81 -1.635 -11.139 -1.486 1.00 0.00 O ATOM 1188 CB ALA A 81 1.116 -10.208 -1.035 1.00 0.00 C ATOM 0 H ALA A 81 -0.521 -8.589 0.024 1.00 0.00 H new ATOM 0 HA ALA A 81 0.516 -8.981 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.562 -10.964 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.886 -9.507 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.675 -10.690 -0.162 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.330 -10.392 -3.569 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.422 -11.212 -4.087 1.00 0.00 C ATOM 1196 C VAL A 82 -1.882 -12.427 -4.813 1.00 0.00 C ATOM 1197 O VAL A 82 -0.917 -12.327 -5.558 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.402 -10.430 -5.007 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.706 -9.820 -6.200 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.530 -11.328 -5.485 1.00 0.00 C ATOM 0 H VAL A 82 -0.837 -9.834 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.997 -11.530 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.811 -9.619 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.433 -9.285 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.939 -9.126 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.243 -10.608 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.202 -10.758 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.115 -12.165 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.083 -11.706 -4.625 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.504 -13.568 -4.559 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.129 -14.829 -5.156 1.00 0.00 C ATOM 1212 C GLU A 83 -3.355 -15.355 -5.908 1.00 0.00 C ATOM 1213 O GLU A 83 -4.460 -14.863 -5.669 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.682 -15.761 -4.027 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.903 -16.999 -4.426 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.726 -18.065 -5.108 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.669 -18.592 -4.483 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.435 -18.378 -6.277 1.00 0.00 O ATOM 0 H GLU A 83 -3.296 -13.639 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.305 -14.744 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.070 -15.184 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.569 -16.080 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.092 -16.703 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.444 -17.427 -3.535 1.00 0.00 H new ATOM 1225 N GLU A 84 -3.178 -16.315 -6.810 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.287 -16.848 -7.603 1.00 0.00 C ATOM 1227 C GLU A 84 -5.492 -17.182 -6.724 1.00 0.00 C ATOM 1228 O GLU A 84 -6.624 -16.800 -7.029 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.861 -18.119 -8.346 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.716 -17.921 -9.321 1.00 0.00 C ATOM 1231 CD GLU A 84 -2.297 -19.212 -9.993 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -3.107 -19.784 -10.751 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.159 -19.674 -9.749 1.00 0.00 O ATOM 0 H GLU A 84 -2.275 -16.743 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.567 -16.074 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.573 -18.874 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.720 -18.513 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.012 -17.198 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.862 -17.496 -8.793 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.232 -17.861 -5.616 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.300 -18.417 -4.801 1.00 0.00 C ATOM 1242 C ASN A 85 -6.787 -17.450 -3.728 1.00 0.00 C ATOM 1243 O ASN A 85 -7.978 -17.414 -3.420 1.00 0.00 O ATOM 1244 CB ASN A 85 -5.833 -19.717 -4.136 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.394 -20.769 -5.137 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -6.193 -21.589 -5.592 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -4.117 -20.752 -5.490 1.00 0.00 N ATOM 0 H ASN A 85 -4.292 -18.039 -5.262 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.136 -18.613 -5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.005 -19.497 -3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.643 -20.118 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.764 -21.434 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.487 -20.057 -5.091 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.887 -16.646 -3.173 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.218 -15.869 -1.981 1.00 0.00 C ATOM 1256 C GLN A 86 -5.427 -14.576 -1.922 1.00 0.00 C ATOM 1257 O GLN A 86 -4.528 -14.354 -2.720 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.931 -16.680 -0.714 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.862 -17.864 -0.508 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.420 -18.757 0.629 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.800 -18.302 1.591 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -6.734 -20.036 0.527 1.00 0.00 N ATOM 0 H GLN A 86 -4.937 -16.515 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.280 -15.632 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.904 -17.042 -0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.004 -16.020 0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.870 -17.499 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.910 -18.448 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.249 -20.371 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.462 -20.688 1.262 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.779 -13.733 -0.972 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.050 -12.501 -0.719 1.00 0.00 C ATOM 1273 C GLU A 87 -4.403 -12.572 0.658 1.00 0.00 C ATOM 1274 O GLU A 87 -5.064 -12.909 1.644 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.993 -11.296 -0.800 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.575 -11.062 -2.186 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.557 -9.907 -2.221 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.121 -8.744 -2.113 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.774 -10.157 -2.362 1.00 0.00 O ATOM 0 H GLU A 87 -6.577 -13.880 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.276 -12.381 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.810 -11.438 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.453 -10.402 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.764 -10.866 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.076 -11.970 -2.523 1.00 0.00 H new ATOM 1286 N SER A 88 -3.111 -12.286 0.715 1.00 0.00 N ATOM 1287 CA SER A 88 -2.371 -12.318 1.967 1.00 0.00 C ATOM 1288 C SER A 88 -2.844 -11.218 2.912 1.00 0.00 C ATOM 1289 O SER A 88 -3.593 -10.325 2.508 1.00 0.00 O ATOM 1290 CB SER A 88 -0.882 -12.139 1.692 1.00 0.00 C ATOM 1291 OG SER A 88 -0.421 -13.066 0.725 1.00 0.00 O ATOM 0 H SER A 88 -2.551 -12.028 -0.097 1.00 0.00 H new ATOM 0 HA SER A 88 -2.548 -13.284 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.694 -11.123 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.321 -12.267 2.618 1.00 0.00 H new ATOM 0 HG SER A 88 -0.670 -12.755 -0.171 1.00 0.00 H new ATOM 1297 N THR A 89 -2.400 -11.282 4.161 1.00 0.00 N ATOM 1298 CA THR A 89 -2.718 -10.258 5.142 1.00 0.00 C ATOM 1299 C THR A 89 -2.250 -8.882 4.662 1.00 0.00 C ATOM 1300 O THR A 89 -1.302 -8.771 3.884 1.00 0.00 O ATOM 1301 CB THR A 89 -2.084 -10.594 6.507 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.776 -11.148 6.322 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.955 -11.575 7.278 1.00 0.00 C ATOM 0 H THR A 89 -1.815 -12.038 4.518 1.00 0.00 H new ATOM 0 HA THR A 89 -3.801 -10.231 5.262 1.00 0.00 H new ATOM 0 HB THR A 89 -2.004 -9.672 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.382 -11.356 7.195 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.489 -11.798 8.238 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.938 -11.135 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.062 -12.495 6.704 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.930 -7.813 5.088 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.646 -6.472 4.604 1.00 0.00 C ATOM 1313 C PRO A 90 -1.502 -5.775 5.340 1.00 0.00 C ATOM 1314 O PRO A 90 -1.350 -5.894 6.558 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.964 -5.744 4.852 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.552 -6.411 6.051 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.037 -7.826 6.061 1.00 0.00 C ATOM 0 HA PRO A 90 -2.316 -6.483 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.801 -4.681 5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.627 -5.823 3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.264 -5.889 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.641 -6.397 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.692 -8.118 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.813 -8.535 5.772 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.712 -5.043 4.573 1.00 0.00 N ATOM 1326 CA VAL A 91 0.273 -4.123 5.103 1.00 0.00 C ATOM 1327 C VAL A 91 -0.427 -2.837 5.457 1.00 0.00 C ATOM 1328 O VAL A 91 -1.035 -2.235 4.584 1.00 0.00 O ATOM 1329 CB VAL A 91 1.313 -3.741 4.046 1.00 0.00 C ATOM 1330 CG1 VAL A 91 2.021 -2.463 4.462 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.311 -4.852 3.804 1.00 0.00 C ATOM 0 H VAL A 91 -0.739 -5.073 3.554 1.00 0.00 H new ATOM 0 HA VAL A 91 0.755 -4.607 5.953 1.00 0.00 H new ATOM 0 HB VAL A 91 0.790 -3.574 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.760 -2.194 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.292 -1.658 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.519 -2.618 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.029 -4.537 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.837 -5.077 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.787 -5.743 3.458 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.354 -2.412 6.697 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.867 -1.106 7.033 1.00 0.00 C ATOM 1343 C VAL A 92 0.258 -0.226 7.550 1.00 0.00 C ATOM 1344 O VAL A 92 0.734 -0.393 8.673 1.00 0.00 O ATOM 1345 CB VAL A 92 -1.999 -1.166 8.076 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.719 0.170 8.126 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -2.973 -2.293 7.760 1.00 0.00 C ATOM 0 H VAL A 92 0.046 -2.938 7.474 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.287 -0.682 6.121 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.564 -1.371 9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.519 0.125 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.014 0.953 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.142 0.392 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.762 -2.313 8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.413 -2.129 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.442 -3.245 7.766 1.00 0.00 H new ATOM 1357 N ILE A 93 0.681 0.704 6.714 1.00 0.00 N ATOM 1358 CA ILE A 93 1.704 1.668 7.084 1.00 0.00 C ATOM 1359 C ILE A 93 1.161 3.075 6.900 1.00 0.00 C ATOM 1360 O ILE A 93 0.830 3.484 5.788 1.00 0.00 O ATOM 1361 CB ILE A 93 3.003 1.492 6.262 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.684 1.331 4.783 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.794 0.297 6.769 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.861 1.620 3.893 1.00 0.00 C ATOM 0 H ILE A 93 0.328 0.813 5.763 1.00 0.00 H new ATOM 0 HA ILE A 93 1.960 1.496 8.130 1.00 0.00 H new ATOM 0 HB ILE A 93 3.612 2.388 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.339 0.313 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.864 1.998 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.705 0.187 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.055 0.451 7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.190 -0.606 6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.570 1.488 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.192 2.646 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.675 0.935 4.132 1.00 0.00 H new ATOM 1376 N GLN A 94 1.037 3.803 7.990 1.00 0.00 N ATOM 1377 CA GLN A 94 0.422 5.112 7.943 1.00 0.00 C ATOM 1378 C GLN A 94 1.474 6.216 8.006 1.00 0.00 C ATOM 1379 O GLN A 94 2.328 6.236 8.890 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.605 5.254 9.071 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.009 5.147 10.469 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.058 5.100 11.567 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -0.856 4.467 12.604 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -2.175 5.777 11.361 1.00 0.00 N ATOM 0 H GLN A 94 1.352 3.512 8.915 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.099 5.216 6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.106 6.217 8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.368 4.485 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.607 4.250 10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.650 5.998 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.307 6.290 10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.904 5.786 12.074 1.00 0.00 H new ATOM 1393 N GLN A 95 1.418 7.114 7.035 1.00 0.00 N ATOM 1394 CA GLN A 95 2.305 8.262 6.980 1.00 0.00 C ATOM 1395 C GLN A 95 1.498 9.537 6.791 1.00 0.00 C ATOM 1396 O GLN A 95 0.585 9.576 5.973 1.00 0.00 O ATOM 1397 CB GLN A 95 3.296 8.121 5.824 1.00 0.00 C ATOM 1398 CG GLN A 95 4.737 7.951 6.275 1.00 0.00 C ATOM 1399 CD GLN A 95 5.246 9.148 7.056 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.693 10.319 6.776 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.121 9.024 7.911 1.00 0.00 N flip ATOM 0 H GLN A 95 0.754 7.066 6.262 1.00 0.00 H new ATOM 0 HA GLN A 95 2.855 8.312 7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.011 7.263 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.225 9.002 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.818 7.057 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.371 7.794 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.524 8.106 8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.444 9.839 8.432 1.00 0.00 H new ATOM 1410 N GLU A 96 1.817 10.568 7.555 1.00 0.00 N ATOM 1411 CA GLU A 96 1.176 11.861 7.374 1.00 0.00 C ATOM 1412 C GLU A 96 1.921 12.655 6.319 1.00 0.00 C ATOM 1413 O GLU A 96 3.149 12.726 6.335 1.00 0.00 O ATOM 1414 CB GLU A 96 1.146 12.652 8.678 1.00 0.00 C ATOM 1415 CG GLU A 96 0.349 11.986 9.780 1.00 0.00 C ATOM 1416 CD GLU A 96 0.445 12.736 11.088 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.434 12.535 11.821 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -0.461 13.539 11.383 1.00 0.00 O ATOM 0 H GLU A 96 2.511 10.537 8.302 1.00 0.00 H new ATOM 0 HA GLU A 96 0.148 11.688 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.169 12.804 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.725 13.639 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.696 11.917 9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.708 10.967 9.921 1.00 0.00 H new ATOM 1425 N THR A 97 1.180 13.234 5.397 1.00 0.00 N ATOM 1426 CA THR A 97 1.775 14.006 4.330 1.00 0.00 C ATOM 1427 C THR A 97 2.303 15.336 4.856 1.00 0.00 C ATOM 1428 O THR A 97 1.539 16.196 5.295 1.00 0.00 O ATOM 1429 CB THR A 97 0.759 14.255 3.207 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.432 14.830 3.755 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.415 12.957 2.493 1.00 0.00 C ATOM 0 H THR A 97 0.162 13.183 5.367 1.00 0.00 H new ATOM 0 HA THR A 97 2.609 13.432 3.927 1.00 0.00 H new ATOM 0 HB THR A 97 1.202 14.942 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.189 14.644 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.307 13.158 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.319 12.529 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.015 12.253 3.205 1.00 0.00 H new ATOM 1439 N THR A 98 3.619 15.493 4.815 1.00 0.00 N ATOM 1440 CA THR A 98 4.260 16.692 5.328 1.00 0.00 C ATOM 1441 C THR A 98 3.939 17.885 4.434 1.00 0.00 C ATOM 1442 O THR A 98 3.813 19.018 4.897 1.00 0.00 O ATOM 1443 CB THR A 98 5.787 16.505 5.399 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.096 15.253 6.031 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.442 17.639 6.176 1.00 0.00 C ATOM 0 H THR A 98 4.263 14.802 4.430 1.00 0.00 H new ATOM 0 HA THR A 98 3.878 16.877 6.332 1.00 0.00 H new ATOM 0 HB THR A 98 6.177 16.511 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.068 15.138 6.072 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.520 17.481 6.210 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.230 18.588 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.046 17.661 7.191 1.00 0.00 H new