USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=24 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 Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -74:sc= 1.27 USER MOD Single : A 25 SER OG : rot 180:sc= -0.145 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 40 TYR OH : rot 100:sc= -3.58! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.36! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 23:sc= 0.152 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -27:sc= 0.985 USER MOD Single : A 62 ASN : amide:sc= -0.01 K(o=-0.01,f=-2.2!) USER MOD Single : A 63 SER OG : rot -26:sc= -2.21! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 70 GLN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.38 K(o=-3.4,f=-4.3!) USER MOD Single : A 75 TYR OH : rot 150:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0123 F(o=-1,f=-0.012) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 151:sc= -0.0155 USER MOD Single : A 85 ASN : amide:sc= -0.0382 K(o=-0.038,f=-3.9!) USER MOD Single : A 86 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.83) USER MOD Single : A 88 SER OG : rot 88:sc= 1.22 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.436 F(o=-1.5,f=-0.44) USER MOD Single : A 97 THR OG1 : rot -179:sc= 2.11 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.891 -11.672 4.029 1.00 0.00 N ATOM 142 CA ALA A 12 2.018 -10.320 3.504 1.00 0.00 C ATOM 143 C ALA A 12 3.421 -9.789 3.749 1.00 0.00 C ATOM 144 O ALA A 12 4.092 -10.222 4.687 1.00 0.00 O ATOM 145 CB ALA A 12 1.008 -9.413 4.178 1.00 0.00 C ATOM 0 HA ALA A 12 1.830 -10.341 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.106 -8.402 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.001 -9.782 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.190 -9.401 5.253 1.00 0.00 H new ATOM 151 N PRO A 13 3.883 -8.832 2.930 1.00 0.00 N ATOM 152 CA PRO A 13 5.206 -8.231 3.096 1.00 0.00 C ATOM 153 C PRO A 13 5.313 -7.460 4.407 1.00 0.00 C ATOM 154 O PRO A 13 4.447 -6.639 4.718 1.00 0.00 O ATOM 155 CB PRO A 13 5.317 -7.266 1.907 1.00 0.00 C ATOM 156 CG PRO A 13 4.278 -7.717 0.944 1.00 0.00 C ATOM 157 CD PRO A 13 3.165 -8.246 1.786 1.00 0.00 C ATOM 0 HA PRO A 13 5.996 -8.981 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.145 -6.236 2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.311 -7.303 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.939 -6.893 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.667 -8.487 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.481 -7.457 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.572 -8.990 1.254 1.00 0.00 H new ATOM 165 N PRO A 14 6.352 -7.737 5.211 1.00 0.00 N ATOM 166 CA PRO A 14 6.603 -7.004 6.454 1.00 0.00 C ATOM 167 C PRO A 14 6.646 -5.512 6.213 1.00 0.00 C ATOM 168 O PRO A 14 7.168 -5.064 5.188 1.00 0.00 O ATOM 169 CB PRO A 14 7.963 -7.531 6.916 1.00 0.00 C ATOM 170 CG PRO A 14 8.064 -8.884 6.305 1.00 0.00 C ATOM 171 CD PRO A 14 7.354 -8.794 4.984 1.00 0.00 C ATOM 0 HA PRO A 14 5.819 -7.153 7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.774 -6.883 6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.021 -7.581 8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.106 -9.174 6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.604 -9.637 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.038 -8.534 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.886 -9.741 4.713 1.00 0.00 H new ATOM 179 N ASP A 15 6.119 -4.772 7.196 1.00 0.00 N ATOM 180 CA ASP A 15 5.738 -3.364 7.043 1.00 0.00 C ATOM 181 C ASP A 15 6.693 -2.592 6.156 1.00 0.00 C ATOM 182 O ASP A 15 7.797 -2.244 6.577 1.00 0.00 O ATOM 183 CB ASP A 15 5.687 -2.678 8.410 1.00 0.00 C ATOM 184 CG ASP A 15 4.660 -3.287 9.336 1.00 0.00 C ATOM 185 OD1 ASP A 15 4.986 -4.277 10.021 1.00 0.00 O ATOM 186 OD2 ASP A 15 3.522 -2.779 9.389 1.00 0.00 O ATOM 0 H ASP A 15 5.943 -5.139 8.131 1.00 0.00 H new ATOM 0 HA ASP A 15 4.756 -3.362 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.670 -2.737 8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.462 -1.620 8.272 1.00 0.00 H new ATOM 191 N PRO A 16 6.282 -2.333 4.904 1.00 0.00 N ATOM 192 CA PRO A 16 6.977 -1.426 3.998 1.00 0.00 C ATOM 193 C PRO A 16 7.341 -0.091 4.635 1.00 0.00 C ATOM 194 O PRO A 16 6.641 0.422 5.509 1.00 0.00 O ATOM 195 CB PRO A 16 5.967 -1.211 2.853 1.00 0.00 C ATOM 196 CG PRO A 16 4.724 -1.897 3.285 1.00 0.00 C ATOM 197 CD PRO A 16 5.170 -2.985 4.205 1.00 0.00 C ATOM 0 HA PRO A 16 7.931 -1.847 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.790 -0.149 2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.340 -1.628 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.050 -1.206 3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.182 -2.303 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.380 -3.295 4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.490 -3.875 3.664 1.00 0.00 H new ATOM 205 N THR A 17 8.447 0.456 4.185 1.00 0.00 N ATOM 206 CA THR A 17 8.910 1.745 4.642 1.00 0.00 C ATOM 207 C THR A 17 8.714 2.773 3.555 1.00 0.00 C ATOM 208 O THR A 17 9.025 2.541 2.386 1.00 0.00 O ATOM 209 CB THR A 17 10.397 1.689 5.048 1.00 0.00 C ATOM 210 OG1 THR A 17 10.624 0.570 5.921 1.00 0.00 O ATOM 211 CG2 THR A 17 10.822 2.972 5.745 1.00 0.00 C ATOM 0 H THR A 17 9.052 0.018 3.490 1.00 0.00 H new ATOM 0 HA THR A 17 8.328 2.026 5.519 1.00 0.00 H new ATOM 0 HB THR A 17 10.992 1.574 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.570 0.539 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.875 2.905 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.676 3.817 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.221 3.115 6.643 1.00 0.00 H new ATOM 219 N VAL A 18 8.137 3.880 3.950 1.00 0.00 N ATOM 220 CA VAL A 18 7.946 5.007 3.054 1.00 0.00 C ATOM 221 C VAL A 18 9.261 5.760 2.857 1.00 0.00 C ATOM 222 O VAL A 18 9.869 6.246 3.812 1.00 0.00 O ATOM 223 CB VAL A 18 6.855 5.962 3.576 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.761 7.203 2.696 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.510 5.248 3.643 1.00 0.00 C ATOM 0 H VAL A 18 7.786 4.031 4.896 1.00 0.00 H new ATOM 0 HA VAL A 18 7.615 4.615 2.092 1.00 0.00 H new ATOM 0 HB VAL A 18 7.128 6.278 4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.985 7.864 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.718 7.725 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.513 6.908 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.751 5.937 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.232 4.902 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.585 4.394 4.316 1.00 0.00 H new ATOM 235 N ASP A 19 9.687 5.837 1.605 1.00 0.00 N ATOM 236 CA ASP A 19 10.964 6.437 1.240 1.00 0.00 C ATOM 237 C ASP A 19 10.841 7.947 1.056 1.00 0.00 C ATOM 238 O ASP A 19 11.720 8.704 1.468 1.00 0.00 O ATOM 239 CB ASP A 19 11.483 5.787 -0.046 1.00 0.00 C ATOM 240 CG ASP A 19 12.713 6.473 -0.601 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.724 6.581 0.128 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.675 6.905 -1.773 1.00 0.00 O ATOM 0 H ASP A 19 9.155 5.484 0.809 1.00 0.00 H new ATOM 0 HA ASP A 19 11.670 6.262 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.715 4.740 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.694 5.803 -0.798 1.00 0.00 H new ATOM 247 N GLN A 20 9.736 8.383 0.465 1.00 0.00 N ATOM 248 CA GLN A 20 9.522 9.803 0.200 1.00 0.00 C ATOM 249 C GLN A 20 8.110 10.213 0.581 1.00 0.00 C ATOM 250 O GLN A 20 7.136 9.582 0.168 1.00 0.00 O ATOM 251 CB GLN A 20 9.767 10.138 -1.277 1.00 0.00 C ATOM 252 CG GLN A 20 11.220 10.039 -1.706 1.00 0.00 C ATOM 253 CD GLN A 20 11.441 10.535 -3.123 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.708 11.716 -3.349 1.00 0.00 O ATOM 255 NE2 GLN A 20 11.332 9.638 -4.090 1.00 0.00 N ATOM 0 H GLN A 20 8.975 7.777 0.160 1.00 0.00 H new ATOM 0 HA GLN A 20 10.237 10.358 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.171 9.465 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.410 11.149 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.838 10.619 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.548 9.002 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.110 8.669 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.471 9.916 -5.062 1.00 0.00 H new ATOM 264 N VAL A 21 8.013 11.262 1.382 1.00 0.00 N ATOM 265 CA VAL A 21 6.730 11.805 1.794 1.00 0.00 C ATOM 266 C VAL A 21 6.606 13.260 1.362 1.00 0.00 C ATOM 267 O VAL A 21 7.363 14.118 1.823 1.00 0.00 O ATOM 268 CB VAL A 21 6.531 11.722 3.324 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.199 12.331 3.734 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.629 10.289 3.808 1.00 0.00 C ATOM 0 H VAL A 21 8.818 11.759 1.763 1.00 0.00 H new ATOM 0 HA VAL A 21 5.961 11.202 1.311 1.00 0.00 H new ATOM 0 HB VAL A 21 7.329 12.297 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.084 12.260 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.170 13.379 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.387 11.792 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.485 10.259 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.860 9.688 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.612 9.888 3.562 1.00 0.00 H new ATOM 280 N ASP A 22 5.660 13.528 0.476 1.00 0.00 N ATOM 281 CA ASP A 22 5.415 14.884 0.002 1.00 0.00 C ATOM 282 C ASP A 22 3.946 15.245 0.168 1.00 0.00 C ATOM 283 O ASP A 22 3.219 14.583 0.907 1.00 0.00 O ATOM 284 CB ASP A 22 5.833 15.030 -1.464 1.00 0.00 C ATOM 285 CG ASP A 22 7.338 15.093 -1.638 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.971 14.027 -1.793 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.892 16.213 -1.618 1.00 0.00 O ATOM 0 H ASP A 22 5.046 12.823 0.068 1.00 0.00 H new ATOM 0 HA ASP A 22 6.015 15.569 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.440 14.189 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.385 15.934 -1.877 1.00 0.00 H new ATOM 292 N ASP A 23 3.523 16.302 -0.507 1.00 0.00 N ATOM 293 CA ASP A 23 2.150 16.786 -0.427 1.00 0.00 C ATOM 294 C ASP A 23 1.162 15.821 -1.072 1.00 0.00 C ATOM 295 O ASP A 23 0.288 15.267 -0.406 1.00 0.00 O ATOM 296 CB ASP A 23 2.044 18.165 -1.098 1.00 0.00 C ATOM 297 CG ASP A 23 2.668 18.206 -2.484 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.912 18.142 -2.584 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.917 18.288 -3.478 1.00 0.00 O ATOM 0 H ASP A 23 4.120 16.850 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 23 1.891 16.864 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.994 18.447 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.530 18.908 -0.466 1.00 0.00 H new ATOM 304 N THR A 24 1.315 15.621 -2.364 1.00 0.00 N ATOM 305 CA THR A 24 0.355 14.872 -3.151 1.00 0.00 C ATOM 306 C THR A 24 1.001 13.623 -3.751 1.00 0.00 C ATOM 307 O THR A 24 0.657 13.191 -4.850 1.00 0.00 O ATOM 308 CB THR A 24 -0.213 15.782 -4.256 1.00 0.00 C ATOM 309 OG1 THR A 24 0.865 16.362 -5.007 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.049 16.898 -3.641 1.00 0.00 C ATOM 0 H THR A 24 2.109 15.973 -2.900 1.00 0.00 H new ATOM 0 HA THR A 24 -0.459 14.542 -2.506 1.00 0.00 H new ATOM 0 HB THR A 24 -0.841 15.182 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.291 17.067 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.445 17.534 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.875 16.465 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.426 17.494 -2.974 1.00 0.00 H new ATOM 318 N SER A 25 1.918 13.035 -2.989 1.00 0.00 N ATOM 319 CA SER A 25 2.729 11.914 -3.451 1.00 0.00 C ATOM 320 C SER A 25 3.526 11.313 -2.288 1.00 0.00 C ATOM 321 O SER A 25 4.151 12.042 -1.513 1.00 0.00 O ATOM 322 CB SER A 25 3.673 12.363 -4.574 1.00 0.00 C ATOM 323 OG SER A 25 4.471 13.462 -4.163 1.00 0.00 O ATOM 0 H SER A 25 2.120 13.323 -2.032 1.00 0.00 H new ATOM 0 HA SER A 25 2.064 11.146 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.316 11.533 -4.867 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.091 12.641 -5.453 1.00 0.00 H new ATOM 0 HG SER A 25 5.065 13.727 -4.896 1.00 0.00 H new ATOM 329 N ILE A 26 3.493 9.995 -2.164 1.00 0.00 N ATOM 330 CA ILE A 26 4.242 9.285 -1.118 1.00 0.00 C ATOM 331 C ILE A 26 4.707 7.943 -1.670 1.00 0.00 C ATOM 332 O ILE A 26 3.972 7.304 -2.395 1.00 0.00 O ATOM 333 CB ILE A 26 3.386 9.057 0.163 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.220 10.354 0.957 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.997 7.989 1.054 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.397 10.190 2.218 1.00 0.00 C ATOM 0 H ILE A 26 2.953 9.384 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 26 5.095 9.900 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 26 2.404 8.718 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.205 10.736 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.749 11.103 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.375 7.854 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.057 7.049 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.998 8.297 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.321 11.149 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.399 9.837 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.878 9.465 2.875 1.00 0.00 H new ATOM 348 N VAL A 27 5.912 7.508 -1.345 1.00 0.00 N ATOM 349 CA VAL A 27 6.421 6.276 -1.922 1.00 0.00 C ATOM 350 C VAL A 27 6.658 5.255 -0.837 1.00 0.00 C ATOM 351 O VAL A 27 7.245 5.575 0.185 1.00 0.00 O ATOM 352 CB VAL A 27 7.739 6.494 -2.672 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.161 5.204 -3.358 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.614 7.629 -3.674 1.00 0.00 C ATOM 0 H VAL A 27 6.545 7.978 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 27 5.670 5.923 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 27 8.509 6.776 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.099 5.365 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.297 4.422 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.390 4.899 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.563 7.763 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.835 7.391 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.354 8.549 -3.151 1.00 0.00 H new ATOM 364 N VAL A 28 6.224 4.028 -1.052 1.00 0.00 N ATOM 365 CA VAL A 28 6.393 3.008 -0.040 1.00 0.00 C ATOM 366 C VAL A 28 7.078 1.782 -0.629 1.00 0.00 C ATOM 367 O VAL A 28 6.883 1.461 -1.803 1.00 0.00 O ATOM 368 CB VAL A 28 5.047 2.617 0.614 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.016 3.713 0.476 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.520 1.306 0.080 1.00 0.00 C ATOM 0 H VAL A 28 5.759 3.718 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 28 7.027 3.424 0.743 1.00 0.00 H new ATOM 0 HB VAL A 28 5.244 2.482 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.085 3.399 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.381 4.619 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.837 3.913 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.574 1.069 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.365 1.387 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.241 0.514 0.284 1.00 0.00 H new ATOM 380 N ARG A 29 7.878 1.112 0.194 1.00 0.00 N ATOM 381 CA ARG A 29 8.653 -0.049 -0.240 1.00 0.00 C ATOM 382 C ARG A 29 8.424 -1.224 0.697 1.00 0.00 C ATOM 383 O ARG A 29 8.783 -1.168 1.866 1.00 0.00 O ATOM 384 CB ARG A 29 10.149 0.288 -0.250 1.00 0.00 C ATOM 385 CG ARG A 29 10.523 1.460 -1.142 1.00 0.00 C ATOM 386 CD ARG A 29 12.000 1.807 -1.020 1.00 0.00 C ATOM 387 NE ARG A 29 12.865 0.649 -1.255 1.00 0.00 N ATOM 388 CZ ARG A 29 14.060 0.715 -1.844 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.525 1.872 -2.294 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.789 -0.383 -1.990 1.00 0.00 N ATOM 0 H ARG A 29 8.008 1.355 1.176 1.00 0.00 H new ATOM 0 HA ARG A 29 8.326 -0.316 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.466 0.507 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.705 -0.592 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.290 1.218 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.921 2.328 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.246 2.593 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.196 2.208 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 29 12.533 -0.266 -0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.968 2.720 -2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.440 1.914 -2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.436 -1.278 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.703 -0.332 -2.440 1.00 0.00 H new ATOM 404 N TRP A 30 7.896 -2.305 0.148 1.00 0.00 N ATOM 405 CA TRP A 30 7.538 -3.487 0.933 1.00 0.00 C ATOM 406 C TRP A 30 8.468 -4.653 0.618 1.00 0.00 C ATOM 407 O TRP A 30 8.940 -4.798 -0.512 1.00 0.00 O ATOM 408 CB TRP A 30 6.069 -3.889 0.679 1.00 0.00 C ATOM 409 CG TRP A 30 5.730 -4.086 -0.759 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.938 -5.201 -1.495 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.087 -3.153 -1.622 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.509 -5.009 -2.778 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.966 -3.765 -2.878 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.610 -1.857 -1.458 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.383 -3.129 -3.962 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.026 -1.231 -2.535 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.916 -1.863 -3.768 1.00 0.00 C ATOM 0 H TRP A 30 7.702 -2.394 -0.849 1.00 0.00 H new ATOM 0 HA TRP A 30 7.650 -3.234 1.987 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.857 -4.811 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.417 -3.120 1.093 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.380 -6.113 -1.122 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.583 -5.687 -3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.696 -1.353 -0.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.302 -3.617 -4.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.645 -0.227 -2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.450 -1.340 -4.590 1.00 0.00 H new ATOM 428 N SER A 31 8.744 -5.466 1.624 1.00 0.00 N ATOM 429 CA SER A 31 9.577 -6.644 1.450 1.00 0.00 C ATOM 430 C SER A 31 8.708 -7.858 1.132 1.00 0.00 C ATOM 431 O SER A 31 8.104 -8.447 2.025 1.00 0.00 O ATOM 432 CB SER A 31 10.403 -6.886 2.716 1.00 0.00 C ATOM 433 OG SER A 31 11.149 -5.728 3.063 1.00 0.00 O ATOM 0 H SER A 31 8.401 -5.330 2.575 1.00 0.00 H new ATOM 0 HA SER A 31 10.259 -6.483 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.743 -7.158 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.080 -7.726 2.559 1.00 0.00 H new ATOM 0 HG SER A 31 11.668 -5.904 3.875 1.00 0.00 H new ATOM 439 N ARG A 32 8.643 -8.197 -0.154 1.00 0.00 N ATOM 440 CA ARG A 32 7.786 -9.265 -0.672 1.00 0.00 C ATOM 441 C ARG A 32 7.865 -10.560 0.150 1.00 0.00 C ATOM 442 O ARG A 32 8.860 -10.830 0.829 1.00 0.00 O ATOM 443 CB ARG A 32 8.156 -9.562 -2.126 1.00 0.00 C ATOM 444 CG ARG A 32 8.240 -8.325 -3.002 1.00 0.00 C ATOM 445 CD ARG A 32 9.622 -7.697 -2.974 1.00 0.00 C ATOM 446 NE ARG A 32 10.055 -7.279 -4.305 1.00 0.00 N ATOM 447 CZ ARG A 32 11.331 -7.139 -4.663 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.303 -7.360 -3.786 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.634 -6.778 -5.902 1.00 0.00 N ATOM 0 H ARG A 32 9.192 -7.732 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 32 6.760 -8.905 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.116 -10.078 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.418 -10.244 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.984 -8.590 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.504 -7.594 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.616 -6.835 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.338 -8.411 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 32 9.337 -7.082 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.075 -7.639 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.278 -7.251 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.891 -6.608 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.610 -6.670 -6.178 1.00 0.00 H new ATOM 463 N PRO A 33 6.810 -11.391 0.059 1.00 0.00 N ATOM 464 CA PRO A 33 6.637 -12.587 0.874 1.00 0.00 C ATOM 465 C PRO A 33 7.384 -13.785 0.314 1.00 0.00 C ATOM 466 O PRO A 33 7.873 -13.765 -0.816 1.00 0.00 O ATOM 467 CB PRO A 33 5.121 -12.853 0.792 1.00 0.00 C ATOM 468 CG PRO A 33 4.551 -11.768 -0.063 1.00 0.00 C ATOM 469 CD PRO A 33 5.694 -11.255 -0.871 1.00 0.00 C ATOM 0 HA PRO A 33 7.021 -12.442 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.921 -13.834 0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.670 -12.843 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.757 -12.150 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.115 -10.977 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.846 -11.839 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.544 -10.220 -1.179 1.00 0.00 H new ATOM 477 N GLN A 34 7.455 -14.833 1.120 1.00 0.00 N ATOM 478 CA GLN A 34 8.013 -16.099 0.678 1.00 0.00 C ATOM 479 C GLN A 34 6.911 -16.925 0.029 1.00 0.00 C ATOM 480 O GLN A 34 7.141 -18.024 -0.474 1.00 0.00 O ATOM 481 CB GLN A 34 8.635 -16.847 1.852 1.00 0.00 C ATOM 482 CG GLN A 34 9.700 -16.039 2.579 1.00 0.00 C ATOM 483 CD GLN A 34 10.309 -16.769 3.761 1.00 0.00 C ATOM 484 OE1 GLN A 34 9.531 -17.621 4.408 1.00 0.00 O flip ATOM 485 NE2 GLN A 34 11.474 -16.560 4.096 1.00 0.00 N flip ATOM 0 H GLN A 34 7.131 -14.830 2.087 1.00 0.00 H new ATOM 0 HA GLN A 34 8.802 -15.917 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.850 -17.120 2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.076 -17.776 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.491 -15.779 1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.262 -15.103 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.044 -15.895 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.870 -17.051 4.897 1.00 0.00 H new ATOM 494 N ALA A 35 5.705 -16.371 0.067 1.00 0.00 N ATOM 495 CA ALA A 35 4.552 -16.957 -0.590 1.00 0.00 C ATOM 496 C ALA A 35 4.609 -16.732 -2.090 1.00 0.00 C ATOM 497 O ALA A 35 5.119 -15.707 -2.552 1.00 0.00 O ATOM 498 CB ALA A 35 3.280 -16.330 -0.047 1.00 0.00 C ATOM 0 H ALA A 35 5.503 -15.500 0.557 1.00 0.00 H new ATOM 0 HA ALA A 35 4.558 -18.029 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.416 -16.772 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.215 -16.511 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.295 -15.256 -0.234 1.00 0.00 H new ATOM 504 N PRO A 36 4.097 -17.682 -2.877 1.00 0.00 N ATOM 505 CA PRO A 36 3.913 -17.466 -4.300 1.00 0.00 C ATOM 506 C PRO A 36 2.672 -16.616 -4.543 1.00 0.00 C ATOM 507 O PRO A 36 1.546 -17.039 -4.272 1.00 0.00 O ATOM 508 CB PRO A 36 3.734 -18.881 -4.852 1.00 0.00 C ATOM 509 CG PRO A 36 3.183 -19.679 -3.715 1.00 0.00 C ATOM 510 CD PRO A 36 3.671 -19.025 -2.446 1.00 0.00 C ATOM 0 HA PRO A 36 4.740 -16.936 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.054 -18.888 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.683 -19.292 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.094 -19.696 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.520 -20.714 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.882 -18.972 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.496 -19.582 -2.002 1.00 0.00 H new ATOM 518 N ILE A 37 2.885 -15.423 -5.066 1.00 0.00 N ATOM 519 CA ILE A 37 1.817 -14.456 -5.246 1.00 0.00 C ATOM 520 C ILE A 37 1.693 -14.103 -6.732 1.00 0.00 C ATOM 521 O ILE A 37 2.646 -14.265 -7.492 1.00 0.00 O ATOM 522 CB ILE A 37 2.095 -13.179 -4.405 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.402 -12.533 -4.878 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.147 -13.481 -2.894 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.165 -11.815 -3.793 1.00 0.00 C ATOM 0 H ILE A 37 3.800 -15.097 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 37 0.878 -14.891 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 37 1.270 -12.484 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.041 -13.305 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.177 -11.826 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.344 -12.560 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.192 -13.898 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.942 -14.199 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.076 -11.387 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.546 -11.019 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.425 -12.520 -3.003 1.00 0.00 H new ATOM 537 N THR A 38 0.511 -13.667 -7.149 1.00 0.00 N ATOM 538 CA THR A 38 0.256 -13.331 -8.545 1.00 0.00 C ATOM 539 C THR A 38 0.377 -11.832 -8.833 1.00 0.00 C ATOM 540 O THR A 38 0.798 -11.447 -9.926 1.00 0.00 O ATOM 541 CB THR A 38 -1.132 -13.820 -8.992 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.098 -13.570 -7.965 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.100 -15.293 -9.327 1.00 0.00 C ATOM 0 H THR A 38 -0.293 -13.537 -6.535 1.00 0.00 H new ATOM 0 HA THR A 38 1.030 -13.845 -9.116 1.00 0.00 H new ATOM 0 HB THR A 38 -1.416 -13.270 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.978 -13.884 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.093 -15.616 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.390 -15.467 -10.135 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.795 -15.860 -8.447 1.00 0.00 H new ATOM 551 N GLY A 39 0.009 -10.986 -7.876 1.00 0.00 N ATOM 552 CA GLY A 39 0.115 -9.557 -8.090 1.00 0.00 C ATOM 553 C GLY A 39 0.010 -8.779 -6.801 1.00 0.00 C ATOM 554 O GLY A 39 0.052 -9.369 -5.732 1.00 0.00 O ATOM 0 H GLY A 39 -0.357 -11.262 -6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.067 -9.333 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.671 -9.234 -8.773 1.00 0.00 H new ATOM 558 N TYR A 40 -0.118 -7.461 -6.894 1.00 0.00 N ATOM 559 CA TYR A 40 -0.301 -6.615 -5.717 1.00 0.00 C ATOM 560 C TYR A 40 -1.365 -5.565 -5.944 1.00 0.00 C ATOM 561 O TYR A 40 -1.365 -4.869 -6.958 1.00 0.00 O ATOM 562 CB TYR A 40 0.984 -5.886 -5.327 1.00 0.00 C ATOM 563 CG TYR A 40 1.912 -6.687 -4.447 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.261 -7.982 -4.774 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.442 -6.141 -3.287 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.110 -8.711 -3.983 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.296 -6.868 -2.492 1.00 0.00 C ATOM 568 CZ TYR A 40 3.630 -8.148 -2.846 1.00 0.00 C ATOM 569 OH TYR A 40 4.488 -8.868 -2.063 1.00 0.00 O ATOM 0 H TYR A 40 -0.098 -6.951 -7.777 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.601 -7.292 -4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.517 -5.604 -6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.721 -4.962 -4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.857 -8.429 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.180 -5.132 -3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.368 -9.724 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.702 -6.431 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 40 5.410 -8.599 -2.255 1.00 0.00 H new ATOM 579 N ARG A 41 -2.268 -5.461 -4.996 1.00 0.00 N ATOM 580 CA ARG A 41 -3.196 -4.349 -4.933 1.00 0.00 C ATOM 581 C ARG A 41 -2.753 -3.400 -3.849 1.00 0.00 C ATOM 582 O ARG A 41 -2.145 -3.817 -2.886 1.00 0.00 O ATOM 583 CB ARG A 41 -4.570 -4.860 -4.612 1.00 0.00 C ATOM 584 CG ARG A 41 -4.885 -6.137 -5.349 1.00 0.00 C ATOM 585 CD ARG A 41 -6.128 -6.790 -4.795 1.00 0.00 C ATOM 586 NE ARG A 41 -5.947 -7.176 -3.403 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.949 -7.356 -2.538 1.00 0.00 C ATOM 588 NH1 ARG A 41 -8.193 -7.048 -2.877 1.00 0.00 N ATOM 589 NH2 ARG A 41 -6.700 -7.815 -1.317 1.00 0.00 N ATOM 0 H ARG A 41 -2.382 -6.143 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.216 -3.833 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.651 -5.032 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.308 -4.101 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.024 -5.924 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.043 -6.824 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.970 -6.103 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.375 -7.670 -5.389 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.995 -7.318 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.390 -6.671 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.953 -7.188 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.743 -8.031 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.466 -7.952 -0.658 1.00 0.00 H new ATOM 603 N ILE A 42 -3.007 -2.129 -4.017 1.00 0.00 N ATOM 604 CA ILE A 42 -2.548 -1.149 -3.040 1.00 0.00 C ATOM 605 C ILE A 42 -3.585 -0.085 -2.763 1.00 0.00 C ATOM 606 O ILE A 42 -3.802 0.784 -3.588 1.00 0.00 O ATOM 607 CB ILE A 42 -1.256 -0.471 -3.524 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.256 -1.524 -3.982 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.659 0.390 -2.418 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.916 -0.963 -4.737 1.00 0.00 C ATOM 0 H ILE A 42 -3.522 -1.741 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.363 -1.695 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.493 0.176 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.111 -2.066 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.770 -2.248 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.255 0.862 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.375 1.159 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.429 -0.235 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.583 -1.774 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.561 -0.446 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.456 -0.261 -4.102 1.00 0.00 H new ATOM 622 N VAL A 43 -4.177 -0.111 -1.577 1.00 0.00 N ATOM 623 CA VAL A 43 -5.176 0.888 -1.234 1.00 0.00 C ATOM 624 C VAL A 43 -4.648 1.829 -0.171 1.00 0.00 C ATOM 625 O VAL A 43 -4.442 1.446 0.979 1.00 0.00 O ATOM 626 CB VAL A 43 -6.509 0.278 -0.751 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.471 1.374 -0.337 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.128 -0.587 -1.833 1.00 0.00 C ATOM 0 H VAL A 43 -3.987 -0.800 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.380 1.434 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.303 -0.352 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.406 0.928 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.032 1.956 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.667 2.027 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.067 -1.007 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.319 0.019 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.443 -1.396 -2.088 1.00 0.00 H new ATOM 638 N TYR A 44 -4.419 3.055 -0.574 1.00 0.00 N ATOM 639 CA TYR A 44 -4.010 4.093 0.333 1.00 0.00 C ATOM 640 C TYR A 44 -5.151 5.054 0.532 1.00 0.00 C ATOM 641 O TYR A 44 -5.726 5.580 -0.431 1.00 0.00 O ATOM 642 CB TYR A 44 -2.742 4.803 -0.161 1.00 0.00 C ATOM 643 CG TYR A 44 -2.635 4.915 -1.667 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.357 3.794 -2.441 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.800 6.131 -2.314 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.252 3.874 -3.808 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.692 6.225 -3.686 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.420 5.096 -4.429 1.00 0.00 C ATOM 649 OH TYR A 44 -2.314 5.194 -5.793 1.00 0.00 O ATOM 0 H TYR A 44 -4.512 3.359 -1.543 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.756 3.648 1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.710 5.804 0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.870 4.267 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.221 2.839 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.016 7.017 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.040 2.990 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.820 7.179 -4.176 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.461 6.123 -6.067 1.00 0.00 H new ATOM 659 N SER A 45 -5.484 5.231 1.792 1.00 0.00 N ATOM 660 CA SER A 45 -6.642 6.008 2.187 1.00 0.00 C ATOM 661 C SER A 45 -6.375 6.787 3.474 1.00 0.00 C ATOM 662 O SER A 45 -5.759 6.268 4.405 1.00 0.00 O ATOM 663 CB SER A 45 -7.836 5.071 2.380 1.00 0.00 C ATOM 664 OG SER A 45 -7.465 3.905 3.103 1.00 0.00 O ATOM 0 H SER A 45 -4.959 4.840 2.574 1.00 0.00 H new ATOM 0 HA SER A 45 -6.861 6.730 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.630 5.595 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.239 4.786 1.408 1.00 0.00 H new ATOM 0 HG SER A 45 -8.248 3.325 3.213 1.00 0.00 H new ATOM 670 N PRO A 46 -6.829 8.048 3.530 1.00 0.00 N ATOM 671 CA PRO A 46 -6.740 8.886 4.734 1.00 0.00 C ATOM 672 C PRO A 46 -7.594 8.338 5.867 1.00 0.00 C ATOM 673 O PRO A 46 -8.646 7.739 5.636 1.00 0.00 O ATOM 674 CB PRO A 46 -7.284 10.234 4.285 1.00 0.00 C ATOM 675 CG PRO A 46 -7.268 10.194 2.798 1.00 0.00 C ATOM 676 CD PRO A 46 -7.470 8.764 2.421 1.00 0.00 C ATOM 0 HA PRO A 46 -5.721 8.932 5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.294 10.395 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.669 11.051 4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.056 10.822 2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.322 10.570 2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.527 8.513 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.006 8.528 1.463 1.00 0.00 H new ATOM 744 N SER A 52 -8.307 8.592 -1.756 1.00 0.00 N ATOM 745 CA SER A 52 -7.995 7.177 -1.628 1.00 0.00 C ATOM 746 C SER A 52 -7.816 6.567 -3.005 1.00 0.00 C ATOM 747 O SER A 52 -8.570 6.878 -3.930 1.00 0.00 O ATOM 748 CB SER A 52 -9.104 6.447 -0.867 1.00 0.00 C ATOM 749 OG SER A 52 -9.406 7.103 0.355 1.00 0.00 O ATOM 0 HA SER A 52 -7.068 7.071 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.000 6.395 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.796 5.421 -0.666 1.00 0.00 H new ATOM 0 HG SER A 52 -9.125 8.040 0.301 1.00 0.00 H new ATOM 755 N THR A 53 -6.810 5.728 -3.159 1.00 0.00 N ATOM 756 CA THR A 53 -6.517 5.149 -4.459 1.00 0.00 C ATOM 757 C THR A 53 -5.955 3.730 -4.324 1.00 0.00 C ATOM 758 O THR A 53 -5.397 3.373 -3.283 1.00 0.00 O ATOM 759 CB THR A 53 -5.533 6.054 -5.235 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.044 7.394 -5.275 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.312 5.564 -6.656 1.00 0.00 C ATOM 0 H THR A 53 -6.186 5.433 -2.408 1.00 0.00 H new ATOM 0 HA THR A 53 -7.450 5.082 -5.019 1.00 0.00 H new ATOM 0 HB THR A 53 -4.576 6.025 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.419 7.968 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.614 6.228 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.901 4.555 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.262 5.557 -7.190 1.00 0.00 H new ATOM 769 N GLU A 54 -6.131 2.932 -5.373 1.00 0.00 N ATOM 770 CA GLU A 54 -5.660 1.567 -5.419 1.00 0.00 C ATOM 771 C GLU A 54 -4.762 1.368 -6.637 1.00 0.00 C ATOM 772 O GLU A 54 -5.219 1.489 -7.775 1.00 0.00 O ATOM 773 CB GLU A 54 -6.849 0.607 -5.491 1.00 0.00 C ATOM 774 CG GLU A 54 -6.456 -0.862 -5.479 1.00 0.00 C ATOM 775 CD GLU A 54 -7.634 -1.775 -5.732 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.526 -1.862 -4.866 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.680 -2.408 -6.806 1.00 0.00 O ATOM 0 H GLU A 54 -6.612 3.227 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.088 1.359 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.513 0.802 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.416 0.814 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.694 -1.038 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.009 -1.108 -4.516 1.00 0.00 H new ATOM 784 N LEU A 55 -3.488 1.078 -6.405 1.00 0.00 N ATOM 785 CA LEU A 55 -2.580 0.783 -7.506 1.00 0.00 C ATOM 786 C LEU A 55 -2.394 -0.713 -7.628 1.00 0.00 C ATOM 787 O LEU A 55 -2.706 -1.456 -6.703 1.00 0.00 O ATOM 788 CB LEU A 55 -1.222 1.508 -7.372 1.00 0.00 C ATOM 789 CG LEU A 55 -1.315 3.027 -7.508 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.053 3.653 -7.705 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.243 3.422 -8.652 1.00 0.00 C ATOM 0 H LEU A 55 -3.064 1.041 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.035 1.164 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.786 1.266 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.541 1.126 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.732 3.407 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.052 4.734 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.686 3.422 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.509 3.253 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.289 4.509 -8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.862 3.012 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.242 3.028 -8.463 1.00 0.00 H new ATOM 803 N ASN A 56 -1.941 -1.159 -8.781 1.00 0.00 N ATOM 804 CA ASN A 56 -1.698 -2.572 -8.997 1.00 0.00 C ATOM 805 C ASN A 56 -0.281 -2.777 -9.478 1.00 0.00 C ATOM 806 O ASN A 56 0.127 -2.225 -10.500 1.00 0.00 O ATOM 807 CB ASN A 56 -2.696 -3.163 -9.994 1.00 0.00 C ATOM 808 CG ASN A 56 -4.091 -3.275 -9.418 1.00 0.00 C ATOM 809 OD1 ASN A 56 -4.905 -2.357 -9.539 1.00 0.00 O ATOM 810 ND2 ASN A 56 -4.380 -4.401 -8.782 1.00 0.00 N ATOM 0 H ASN A 56 -1.733 -0.565 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.834 -3.094 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.724 -2.540 -10.888 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.354 -4.150 -10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.304 -4.532 -8.371 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.678 -5.137 -8.704 1.00 0.00 H new ATOM 817 N LEU A 57 0.469 -3.561 -8.730 1.00 0.00 N ATOM 818 CA LEU A 57 1.864 -3.787 -9.026 1.00 0.00 C ATOM 819 C LEU A 57 2.078 -5.256 -9.307 1.00 0.00 C ATOM 820 O LEU A 57 1.252 -6.085 -8.944 1.00 0.00 O ATOM 821 CB LEU A 57 2.758 -3.325 -7.859 1.00 0.00 C ATOM 822 CG LEU A 57 2.843 -1.818 -7.628 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.169 -1.465 -6.998 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.664 -1.047 -8.914 1.00 0.00 C ATOM 0 H LEU A 57 0.129 -4.055 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 57 2.140 -3.203 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.394 -3.792 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.766 -3.702 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 57 2.033 -1.539 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.220 -0.388 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.266 -1.980 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.979 -1.772 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.731 0.022 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.444 -1.331 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.688 -1.274 -9.342 1.00 0.00 H new ATOM 836 N PRO A 58 3.158 -5.596 -10.000 1.00 0.00 N ATOM 837 CA PRO A 58 3.504 -6.986 -10.235 1.00 0.00 C ATOM 838 C PRO A 58 3.831 -7.702 -8.928 1.00 0.00 C ATOM 839 O PRO A 58 4.275 -7.090 -7.959 1.00 0.00 O ATOM 840 CB PRO A 58 4.734 -6.920 -11.148 1.00 0.00 C ATOM 841 CG PRO A 58 5.256 -5.528 -11.037 1.00 0.00 C ATOM 842 CD PRO A 58 4.100 -4.658 -10.623 1.00 0.00 C ATOM 0 HA PRO A 58 2.683 -7.547 -10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.488 -7.645 -10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.468 -7.156 -12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.061 -5.475 -10.304 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.669 -5.194 -11.989 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.414 -3.883 -9.924 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.653 -4.153 -11.479 1.00 0.00 H new ATOM 850 N GLU A 59 3.571 -9.003 -8.923 1.00 0.00 N ATOM 851 CA GLU A 59 3.853 -9.895 -7.788 1.00 0.00 C ATOM 852 C GLU A 59 5.250 -9.682 -7.200 1.00 0.00 C ATOM 853 O GLU A 59 5.490 -9.939 -6.024 1.00 0.00 O ATOM 854 CB GLU A 59 3.737 -11.343 -8.264 1.00 0.00 C ATOM 855 CG GLU A 59 4.671 -11.662 -9.421 1.00 0.00 C ATOM 856 CD GLU A 59 4.543 -13.084 -9.916 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.058 -14.000 -9.247 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.956 -13.286 -11.000 1.00 0.00 O ATOM 0 H GLU A 59 3.151 -9.484 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 59 3.130 -9.669 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.956 -12.012 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.709 -11.539 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.466 -10.978 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.700 -11.484 -9.108 1.00 0.00 H new ATOM 865 N THR A 60 6.153 -9.209 -8.034 1.00 0.00 N ATOM 866 CA THR A 60 7.554 -9.069 -7.670 1.00 0.00 C ATOM 867 C THR A 60 7.911 -7.606 -7.379 1.00 0.00 C ATOM 868 O THR A 60 9.077 -7.263 -7.172 1.00 0.00 O ATOM 869 CB THR A 60 8.454 -9.629 -8.799 1.00 0.00 C ATOM 870 OG1 THR A 60 9.841 -9.486 -8.473 1.00 0.00 O ATOM 871 CG2 THR A 60 8.162 -8.933 -10.122 1.00 0.00 C ATOM 0 H THR A 60 5.939 -8.910 -8.985 1.00 0.00 H new ATOM 0 HA THR A 60 7.727 -9.641 -6.759 1.00 0.00 H new ATOM 0 HB THR A 60 8.228 -10.690 -8.901 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.958 -8.724 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.807 -9.344 -10.899 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.119 -9.092 -10.394 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.352 -7.864 -10.021 1.00 0.00 H new ATOM 879 N ALA A 61 6.906 -6.744 -7.331 1.00 0.00 N ATOM 880 CA ALA A 61 7.144 -5.330 -7.079 1.00 0.00 C ATOM 881 C ALA A 61 7.466 -5.116 -5.615 1.00 0.00 C ATOM 882 O ALA A 61 7.163 -5.969 -4.782 1.00 0.00 O ATOM 883 CB ALA A 61 5.940 -4.500 -7.475 1.00 0.00 C ATOM 0 H ALA A 61 5.926 -6.995 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 61 7.992 -5.009 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.143 -3.447 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.737 -4.637 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.073 -4.818 -6.896 1.00 0.00 H new ATOM 889 N ASN A 62 8.085 -3.992 -5.296 1.00 0.00 N ATOM 890 CA ASN A 62 8.446 -3.716 -3.917 1.00 0.00 C ATOM 891 C ASN A 62 8.278 -2.249 -3.559 1.00 0.00 C ATOM 892 O ASN A 62 8.738 -1.828 -2.508 1.00 0.00 O ATOM 893 CB ASN A 62 9.895 -4.128 -3.630 1.00 0.00 C ATOM 894 CG ASN A 62 10.927 -3.234 -4.305 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.721 -2.741 -5.414 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.043 -3.004 -3.630 1.00 0.00 N ATOM 0 H ASN A 62 8.345 -3.265 -5.963 1.00 0.00 H new ATOM 0 HA ASN A 62 7.765 -4.306 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.062 -4.113 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.044 -5.156 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.764 -2.402 -4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.181 -3.429 -2.713 1.00 0.00 H new ATOM 903 N SER A 63 7.641 -1.460 -4.411 1.00 0.00 N ATOM 904 CA SER A 63 7.485 -0.035 -4.124 1.00 0.00 C ATOM 905 C SER A 63 6.370 0.584 -4.960 1.00 0.00 C ATOM 906 O SER A 63 6.308 0.369 -6.166 1.00 0.00 O ATOM 907 CB SER A 63 8.790 0.723 -4.419 1.00 0.00 C ATOM 908 OG SER A 63 9.911 0.114 -3.798 1.00 0.00 O ATOM 0 H SER A 63 7.230 -1.770 -5.291 1.00 0.00 H new ATOM 0 HA SER A 63 7.232 0.051 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.950 0.763 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.698 1.752 -4.072 1.00 0.00 H new ATOM 0 HG SER A 63 9.616 -0.386 -3.008 1.00 0.00 H new ATOM 914 N VAL A 64 5.509 1.370 -4.325 1.00 0.00 N ATOM 915 CA VAL A 64 4.481 2.117 -5.051 1.00 0.00 C ATOM 916 C VAL A 64 4.661 3.615 -4.827 1.00 0.00 C ATOM 917 O VAL A 64 4.952 4.052 -3.705 1.00 0.00 O ATOM 918 CB VAL A 64 3.031 1.725 -4.655 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.822 1.810 -3.169 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.039 2.597 -5.368 1.00 0.00 C ATOM 0 H VAL A 64 5.499 1.508 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 64 4.613 1.860 -6.102 1.00 0.00 H new ATOM 0 HB VAL A 64 2.876 0.689 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.797 1.529 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.511 1.132 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.006 2.831 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.028 2.309 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.211 3.639 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.157 2.477 -6.445 1.00 0.00 H new ATOM 930 N THR A 65 4.530 4.390 -5.897 1.00 0.00 N ATOM 931 CA THR A 65 4.459 5.820 -5.799 1.00 0.00 C ATOM 932 C THR A 65 2.998 6.267 -5.832 1.00 0.00 C ATOM 933 O THR A 65 2.364 6.314 -6.888 1.00 0.00 O ATOM 934 CB THR A 65 5.233 6.451 -6.959 1.00 0.00 C ATOM 935 OG1 THR A 65 6.632 6.172 -6.817 1.00 0.00 O ATOM 936 CG2 THR A 65 5.008 7.956 -7.039 1.00 0.00 C ATOM 0 H THR A 65 4.471 4.033 -6.851 1.00 0.00 H new ATOM 0 HA THR A 65 4.904 6.144 -4.858 1.00 0.00 H new ATOM 0 HB THR A 65 4.862 6.013 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.123 6.576 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.575 8.365 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.947 8.158 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.341 8.423 -6.112 1.00 0.00 H new ATOM 944 N LEU A 66 2.475 6.565 -4.661 1.00 0.00 N ATOM 945 CA LEU A 66 1.116 7.046 -4.508 1.00 0.00 C ATOM 946 C LEU A 66 1.069 8.511 -4.871 1.00 0.00 C ATOM 947 O LEU A 66 2.012 9.251 -4.579 1.00 0.00 O ATOM 948 CB LEU A 66 0.642 6.895 -3.070 1.00 0.00 C ATOM 949 CG LEU A 66 1.425 5.914 -2.219 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.215 6.218 -0.763 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.998 4.499 -2.542 1.00 0.00 C ATOM 0 H LEU A 66 2.984 6.480 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 66 0.469 6.459 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.678 7.873 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.403 6.584 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 66 2.488 6.011 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.781 5.509 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.557 7.231 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.155 6.135 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.564 3.799 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.066 4.384 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.188 4.293 -3.595 1.00 0.00 H new ATOM 963 N SER A 67 -0.024 8.938 -5.464 1.00 0.00 N ATOM 964 CA SER A 67 -0.126 10.296 -5.942 1.00 0.00 C ATOM 965 C SER A 67 -1.533 10.815 -5.708 1.00 0.00 C ATOM 966 O SER A 67 -2.408 10.060 -5.276 1.00 0.00 O ATOM 967 CB SER A 67 0.241 10.360 -7.429 1.00 0.00 C ATOM 968 OG SER A 67 0.343 11.700 -7.882 1.00 0.00 O ATOM 0 H SER A 67 -0.852 8.365 -5.626 1.00 0.00 H new ATOM 0 HA SER A 67 0.573 10.927 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.188 9.846 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.513 9.833 -8.014 1.00 0.00 H new ATOM 0 HG SER A 67 0.580 11.707 -8.833 1.00 0.00 H new ATOM 974 N ASP A 68 -1.731 12.098 -5.980 1.00 0.00 N ATOM 975 CA ASP A 68 -3.024 12.749 -5.809 1.00 0.00 C ATOM 976 C ASP A 68 -3.409 12.825 -4.336 1.00 0.00 C ATOM 977 O ASP A 68 -4.583 12.944 -4.007 1.00 0.00 O ATOM 978 CB ASP A 68 -4.124 12.029 -6.605 1.00 0.00 C ATOM 979 CG ASP A 68 -3.923 12.124 -8.103 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.186 13.203 -8.672 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.502 11.121 -8.722 1.00 0.00 O ATOM 0 H ASP A 68 -0.999 12.718 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.929 13.763 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.150 10.979 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.093 12.456 -6.345 1.00 0.00 H new ATOM 986 N LEU A 69 -2.416 12.765 -3.451 1.00 0.00 N ATOM 987 CA LEU A 69 -2.670 12.875 -2.016 1.00 0.00 C ATOM 988 C LEU A 69 -3.034 14.311 -1.662 1.00 0.00 C ATOM 989 O LEU A 69 -3.181 15.158 -2.538 1.00 0.00 O ATOM 990 CB LEU A 69 -1.460 12.462 -1.166 1.00 0.00 C ATOM 991 CG LEU A 69 -0.656 11.265 -1.638 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.507 11.043 -0.702 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.539 10.036 -1.665 1.00 0.00 C ATOM 0 H LEU A 69 -1.435 12.642 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.492 12.195 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.786 13.316 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.812 12.255 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.279 11.452 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.086 10.183 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.142 11.929 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.133 10.856 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.958 9.178 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.922 9.841 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.373 10.202 -2.347 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.206 14.574 -0.378 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.485 15.918 0.094 1.00 0.00 C ATOM 1007 C GLN A 70 -2.465 16.298 1.153 1.00 0.00 C ATOM 1008 O GLN A 70 -2.178 15.496 2.037 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.882 15.994 0.696 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.993 15.545 -0.232 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.323 16.581 -1.289 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.177 17.442 -1.080 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.649 16.512 -2.426 1.00 0.00 N ATOM 0 H GLN A 70 -3.157 13.870 0.359 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.426 16.606 -0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.909 15.381 1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.076 17.022 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.701 14.615 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.887 15.331 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.949 15.783 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.830 17.188 -3.168 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.895 17.508 1.073 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.900 17.977 2.045 1.00 0.00 C ATOM 1024 C PRO A 71 -1.479 18.157 3.449 1.00 0.00 C ATOM 1025 O PRO A 71 -2.477 18.855 3.636 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.447 19.321 1.481 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.548 19.763 0.577 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.164 18.509 0.026 1.00 0.00 C ATOM 0 HA PRO A 71 -0.092 17.255 2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.279 20.045 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.492 19.222 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.286 20.353 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.164 20.394 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.233 18.630 -0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.715 18.225 -0.926 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.847 17.520 4.429 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.280 17.652 5.807 1.00 0.00 C ATOM 1038 C GLY A 72 -2.375 16.670 6.167 1.00 0.00 C ATOM 1039 O GLY A 72 -3.234 16.965 7.000 1.00 0.00 O ATOM 0 H GLY A 72 -0.039 16.912 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.427 17.499 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.637 18.668 5.977 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.346 15.498 5.543 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.368 14.482 5.766 1.00 0.00 C ATOM 1045 C VAL A 73 -2.727 13.130 6.075 1.00 0.00 C ATOM 1046 O VAL A 73 -1.658 12.800 5.556 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.317 14.360 4.544 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.348 13.280 4.743 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.044 15.653 4.271 1.00 0.00 C ATOM 0 H VAL A 73 -1.623 15.227 4.876 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.961 14.793 6.626 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.680 14.109 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.993 13.226 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.848 12.322 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.950 13.509 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.698 15.527 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.640 15.926 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.320 16.441 4.065 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.381 12.365 6.942 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.897 11.061 7.352 1.00 0.00 C ATOM 1061 C GLN A 74 -3.237 10.034 6.292 1.00 0.00 C ATOM 1062 O GLN A 74 -4.401 9.867 5.945 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.560 10.675 8.668 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.661 9.898 9.622 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.089 8.629 9.023 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.698 7.568 9.090 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.900 8.726 8.449 1.00 0.00 N ATOM 0 H GLN A 74 -4.262 12.636 7.378 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.815 11.096 7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.902 11.581 9.168 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.445 10.076 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.840 10.542 9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.230 9.643 10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.423 9.627 8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.461 7.900 8.043 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.233 9.342 5.791 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.445 8.392 4.713 1.00 0.00 C ATOM 1078 C TYR A 75 -2.033 6.986 5.102 1.00 0.00 C ATOM 1079 O TYR A 75 -0.861 6.709 5.332 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.709 8.842 3.454 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.549 9.772 2.615 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.515 9.261 1.765 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.407 11.150 2.694 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.319 10.092 1.019 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.205 11.992 1.940 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.162 11.454 1.106 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.984 12.280 0.370 1.00 0.00 O ATOM 0 H TYR A 75 -1.267 9.418 6.110 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.515 8.367 4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.782 9.343 3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.433 7.969 2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.640 8.191 1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.663 11.571 3.354 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.072 9.674 0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.079 13.063 2.004 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.106 13.128 0.846 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.011 6.101 5.178 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.754 4.701 5.465 1.00 0.00 C ATOM 1099 C ASN A 76 -2.543 3.949 4.160 1.00 0.00 C ATOM 1100 O ASN A 76 -3.479 3.782 3.375 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.927 4.073 6.225 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.313 4.834 7.479 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.756 4.439 8.612 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -5.130 5.755 7.431 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.996 6.329 5.044 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.861 4.635 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.791 4.018 5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.668 3.050 6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.537 6.030 6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.399 6.243 8.285 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.317 3.513 3.920 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.012 2.725 2.738 1.00 0.00 C ATOM 1113 C ILE A 77 -1.157 1.260 3.061 1.00 0.00 C ATOM 1114 O ILE A 77 -0.444 0.719 3.907 1.00 0.00 O ATOM 1115 CB ILE A 77 0.413 2.975 2.198 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.616 4.418 1.772 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.728 2.070 1.019 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.040 5.355 2.883 1.00 0.00 C ATOM 0 H ILE A 77 -0.518 3.692 4.528 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.716 3.031 1.964 1.00 0.00 H new ATOM 0 HB ILE A 77 1.091 2.750 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.369 4.447 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.313 4.788 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.739 2.273 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.655 1.028 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.017 2.259 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.160 6.362 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.279 5.362 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.987 5.016 3.303 1.00 0.00 H new ATOM 1130 N THR A 78 -2.099 0.636 2.400 1.00 0.00 N ATOM 1131 CA THR A 78 -2.390 -0.739 2.629 1.00 0.00 C ATOM 1132 C THR A 78 -1.932 -1.585 1.440 1.00 0.00 C ATOM 1133 O THR A 78 -2.473 -1.457 0.332 1.00 0.00 O ATOM 1134 CB THR A 78 -3.892 -0.900 2.848 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.343 0.078 3.798 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.231 -2.296 3.348 1.00 0.00 C ATOM 0 H THR A 78 -2.682 1.077 1.688 1.00 0.00 H new ATOM 0 HA THR A 78 -1.855 -1.081 3.515 1.00 0.00 H new ATOM 0 HB THR A 78 -4.396 -0.752 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.308 -0.023 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.308 -2.379 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.907 -3.034 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.721 -2.477 4.294 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.931 -2.436 1.664 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.416 -3.288 0.586 1.00 0.00 C ATOM 1146 C ILE A 79 -1.097 -4.646 0.651 1.00 0.00 C ATOM 1147 O ILE A 79 -1.228 -5.239 1.713 1.00 0.00 O ATOM 1148 CB ILE A 79 1.122 -3.544 0.621 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.962 -2.303 0.881 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.593 -4.132 -0.683 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.611 -1.107 0.036 1.00 0.00 C ATOM 0 H ILE A 79 -0.466 -2.555 2.564 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.631 -2.741 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 79 1.263 -4.230 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.862 -2.029 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.010 -2.551 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.669 -4.303 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.082 -5.078 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.369 -3.441 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.264 -0.274 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.740 -1.355 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.574 -0.825 0.218 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.528 -5.126 -0.486 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.192 -6.405 -0.586 1.00 0.00 C ATOM 1165 C TYR A 80 -1.437 -7.301 -1.552 1.00 0.00 C ATOM 1166 O TYR A 80 -1.427 -7.039 -2.757 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.611 -6.225 -1.133 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.500 -5.284 -0.355 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.242 -5.743 0.725 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.635 -3.947 -0.726 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -6.094 -4.905 1.413 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.476 -3.103 -0.034 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.207 -3.586 1.032 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.065 -2.748 1.712 1.00 0.00 O ATOM 0 H TYR A 80 -1.429 -4.639 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.225 -6.849 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.542 -5.864 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.093 -7.202 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.150 -6.774 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.073 -3.568 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.670 -5.281 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.563 -2.067 -0.325 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.723 -1.830 1.676 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.816 -8.353 -1.049 1.00 0.00 N ATOM 1185 CA ALA A 81 -0.261 -9.363 -1.931 1.00 0.00 C ATOM 1186 C ALA A 81 -1.391 -10.278 -2.345 1.00 0.00 C ATOM 1187 O ALA A 81 -2.194 -10.693 -1.512 1.00 0.00 O ATOM 1188 CB ALA A 81 0.881 -10.147 -1.258 1.00 0.00 C ATOM 0 H ALA A 81 -0.685 -8.529 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 81 0.180 -8.888 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.269 -10.893 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.680 -9.460 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.504 -10.644 -0.364 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.502 -10.532 -3.630 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.563 -11.400 -4.120 1.00 0.00 C ATOM 1196 C VAL A 82 -1.976 -12.614 -4.797 1.00 0.00 C ATOM 1197 O VAL A 82 -1.027 -12.491 -5.560 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.542 -10.674 -5.080 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.832 -10.058 -6.265 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.620 -11.626 -5.568 1.00 0.00 C ATOM 0 H VAL A 82 -0.883 -10.159 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.143 -11.709 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.001 -9.867 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.559 -9.562 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.102 -9.329 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.322 -10.839 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.296 -11.097 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.158 -12.458 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.181 -12.008 -4.715 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.534 -13.779 -4.491 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.055 -15.034 -5.031 1.00 0.00 C ATOM 1212 C GLU A 83 -3.133 -15.651 -5.918 1.00 0.00 C ATOM 1213 O GLU A 83 -4.270 -15.173 -5.937 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.661 -16.017 -3.924 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.885 -15.414 -2.773 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.718 -14.552 -1.849 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.701 -15.063 -1.286 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.379 -13.367 -1.668 1.00 0.00 O ATOM 0 H GLU A 83 -3.331 -13.874 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.161 -14.829 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.567 -16.477 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.064 -16.816 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.433 -16.219 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.069 -14.814 -3.174 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.766 -16.701 -6.649 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.648 -17.334 -7.639 1.00 0.00 C ATOM 1227 C GLU A 84 -5.080 -17.531 -7.131 1.00 0.00 C ATOM 1228 O GLU A 84 -6.037 -17.199 -7.827 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.075 -18.683 -8.071 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.678 -18.591 -8.659 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.192 -19.915 -9.207 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.568 -20.269 -10.342 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.428 -20.612 -8.506 1.00 0.00 O ATOM 0 H GLU A 84 -1.849 -17.141 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.696 -16.652 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.054 -19.352 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.741 -19.132 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.671 -17.847 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.986 -18.243 -7.892 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.230 -18.070 -5.929 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.558 -18.348 -5.392 1.00 0.00 C ATOM 1242 C ASN A 85 -6.723 -17.789 -3.984 1.00 0.00 C ATOM 1243 O ASN A 85 -7.653 -18.163 -3.268 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.837 -19.857 -5.389 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.938 -20.634 -4.436 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -4.794 -20.252 -4.178 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -6.449 -21.735 -3.911 1.00 0.00 N ATOM 0 H ASN A 85 -4.458 -18.322 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.280 -17.852 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.878 -20.026 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.706 -20.246 -6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.893 -22.300 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.399 -22.019 -4.148 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.837 -16.884 -3.592 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.850 -16.343 -2.238 1.00 0.00 C ATOM 1256 C GLN A 86 -5.446 -14.876 -2.231 1.00 0.00 C ATOM 1257 O GLN A 86 -5.074 -14.319 -3.267 1.00 0.00 O ATOM 1258 CB GLN A 86 -4.905 -17.142 -1.332 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.420 -18.520 -0.952 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.702 -18.459 -0.144 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -6.947 -17.499 0.587 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -7.525 -19.484 -0.261 1.00 0.00 N ATOM 0 H GLN A 86 -5.101 -16.509 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.868 -16.425 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.945 -17.252 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.724 -16.571 -0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.592 -19.102 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.656 -19.044 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.287 -20.261 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.399 -19.499 0.265 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.544 -14.252 -1.065 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.078 -12.885 -0.866 1.00 0.00 C ATOM 1273 C GLU A 87 -4.422 -12.794 0.503 1.00 0.00 C ATOM 1274 O GLU A 87 -5.061 -13.071 1.521 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.244 -11.893 -0.949 1.00 0.00 C ATOM 1276 CG GLU A 87 -7.035 -11.978 -2.243 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.394 -11.322 -2.143 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -9.305 -11.927 -1.541 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.566 -10.207 -2.673 1.00 0.00 O ATOM 0 H GLU A 87 -5.948 -14.678 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.363 -12.631 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.918 -12.069 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.855 -10.881 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.466 -11.505 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.161 -13.025 -2.518 1.00 0.00 H new ATOM 1286 N SER A 88 -3.149 -12.435 0.530 1.00 0.00 N ATOM 1287 CA SER A 88 -2.401 -12.356 1.776 1.00 0.00 C ATOM 1288 C SER A 88 -2.942 -11.256 2.687 1.00 0.00 C ATOM 1289 O SER A 88 -3.737 -10.414 2.259 1.00 0.00 O ATOM 1290 CB SER A 88 -0.920 -12.112 1.489 1.00 0.00 C ATOM 1291 OG SER A 88 -0.363 -13.176 0.741 1.00 0.00 O ATOM 0 H SER A 88 -2.609 -12.192 -0.301 1.00 0.00 H new ATOM 0 HA SER A 88 -2.518 -13.309 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.802 -11.177 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.378 -12.001 2.428 1.00 0.00 H new ATOM 0 HG SER A 88 -0.493 -13.007 -0.215 1.00 0.00 H new ATOM 1297 N THR A 89 -2.502 -11.274 3.941 1.00 0.00 N ATOM 1298 CA THR A 89 -2.901 -10.274 4.921 1.00 0.00 C ATOM 1299 C THR A 89 -2.556 -8.852 4.454 1.00 0.00 C ATOM 1300 O THR A 89 -1.744 -8.661 3.548 1.00 0.00 O ATOM 1301 CB THR A 89 -2.230 -10.569 6.277 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.920 -11.112 6.068 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.064 -11.545 7.092 1.00 0.00 C ATOM 0 H THR A 89 -1.861 -11.980 4.304 1.00 0.00 H new ATOM 0 HA THR A 89 -3.984 -10.329 5.034 1.00 0.00 H new ATOM 0 HB THR A 89 -2.151 -9.633 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.500 -11.295 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.571 -11.738 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.050 -11.117 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.170 -12.480 6.542 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.198 -7.832 5.037 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.986 -6.451 4.636 1.00 0.00 C ATOM 1313 C PRO A 90 -1.815 -5.773 5.353 1.00 0.00 C ATOM 1314 O PRO A 90 -1.666 -5.858 6.574 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.304 -5.789 5.026 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.786 -6.558 6.213 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.204 -7.942 6.111 1.00 0.00 C ATOM 0 HA PRO A 90 -2.727 -6.373 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.160 -4.736 5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.024 -5.832 4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.471 -6.075 7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.875 -6.599 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.750 -8.254 7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.969 -8.679 5.867 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.997 -5.094 4.566 1.00 0.00 N ATOM 1326 CA VAL A 91 0.041 -4.216 5.069 1.00 0.00 C ATOM 1327 C VAL A 91 -0.575 -2.881 5.396 1.00 0.00 C ATOM 1328 O VAL A 91 -1.154 -2.264 4.514 1.00 0.00 O ATOM 1329 CB VAL A 91 1.084 -3.922 3.995 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.966 -2.782 4.452 1.00 0.00 C ATOM 1331 CG2 VAL A 91 1.918 -5.135 3.645 1.00 0.00 C ATOM 0 H VAL A 91 -1.037 -5.139 3.548 1.00 0.00 H new ATOM 0 HA VAL A 91 0.497 -4.705 5.930 1.00 0.00 H new ATOM 0 HB VAL A 91 0.555 -3.640 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.712 -2.570 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.356 -1.895 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.467 -3.059 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.643 -4.868 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.443 -5.484 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.269 -5.927 3.272 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.452 -2.420 6.622 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.922 -1.086 6.935 1.00 0.00 C ATOM 1343 C VAL A 92 0.223 -0.232 7.450 1.00 0.00 C ATOM 1344 O VAL A 92 0.696 -0.410 8.573 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.069 -1.088 7.965 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.713 0.287 8.020 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.105 -2.151 7.628 1.00 0.00 C ATOM 0 H VAL A 92 -0.041 -2.933 7.402 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.313 -0.665 6.009 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.655 -1.327 8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.523 0.280 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.967 1.027 8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.111 0.542 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.903 -2.130 8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.523 -1.952 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.633 -3.133 7.630 1.00 0.00 H new ATOM 1357 N ILE A 93 0.674 0.685 6.613 1.00 0.00 N ATOM 1358 CA ILE A 93 1.713 1.628 6.990 1.00 0.00 C ATOM 1359 C ILE A 93 1.202 3.050 6.820 1.00 0.00 C ATOM 1360 O ILE A 93 0.919 3.494 5.710 1.00 0.00 O ATOM 1361 CB ILE A 93 3.008 1.432 6.169 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.698 1.343 4.680 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.742 0.185 6.635 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.878 1.689 3.816 1.00 0.00 C ATOM 0 H ILE A 93 0.333 0.797 5.658 1.00 0.00 H new ATOM 0 HA ILE A 93 1.960 1.443 8.035 1.00 0.00 H new ATOM 0 HB ILE A 93 3.651 2.298 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.364 0.333 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.872 2.015 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.652 0.058 6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.000 0.287 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.100 -0.686 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.596 1.608 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.198 2.709 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.697 1.001 4.026 1.00 0.00 H new ATOM 1376 N GLN A 94 1.061 3.757 7.923 1.00 0.00 N ATOM 1377 CA GLN A 94 0.475 5.082 7.880 1.00 0.00 C ATOM 1378 C GLN A 94 1.546 6.165 7.924 1.00 0.00 C ATOM 1379 O GLN A 94 2.466 6.123 8.738 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.535 5.260 9.015 1.00 0.00 C ATOM 1381 CG GLN A 94 0.041 5.053 10.405 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.993 5.268 11.489 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.683 4.335 11.900 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.117 6.501 11.951 1.00 0.00 N ATOM 0 H GLN A 94 1.341 3.441 8.852 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.054 5.185 6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.957 6.263 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.357 4.559 8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.443 4.043 10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.873 5.740 10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.525 7.246 11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.805 6.707 12.676 1.00 0.00 H new ATOM 1393 N GLN A 95 1.428 7.110 7.009 1.00 0.00 N ATOM 1394 CA GLN A 95 2.328 8.241 6.930 1.00 0.00 C ATOM 1395 C GLN A 95 1.527 9.515 6.680 1.00 0.00 C ATOM 1396 O GLN A 95 0.640 9.536 5.828 1.00 0.00 O ATOM 1397 CB GLN A 95 3.327 8.025 5.790 1.00 0.00 C ATOM 1398 CG GLN A 95 4.776 7.909 6.244 1.00 0.00 C ATOM 1399 CD GLN A 95 5.276 9.129 6.998 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.714 10.294 6.709 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.160 9.023 7.846 1.00 0.00 N flip ATOM 0 H GLN A 95 0.699 7.112 6.296 1.00 0.00 H new ATOM 0 HA GLN A 95 2.872 8.337 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.054 7.119 5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.243 8.854 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.879 7.031 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.409 7.746 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.571 8.110 8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.483 9.848 8.352 1.00 0.00 H new ATOM 1410 N GLU A 96 1.808 10.561 7.442 1.00 0.00 N ATOM 1411 CA GLU A 96 1.161 11.847 7.220 1.00 0.00 C ATOM 1412 C GLU A 96 1.962 12.668 6.231 1.00 0.00 C ATOM 1413 O GLU A 96 3.182 12.791 6.356 1.00 0.00 O ATOM 1414 CB GLU A 96 1.003 12.627 8.525 1.00 0.00 C ATOM 1415 CG GLU A 96 0.062 11.969 9.512 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.080 12.749 10.799 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.900 13.692 10.843 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.619 12.423 11.776 1.00 0.00 O ATOM 0 H GLU A 96 2.474 10.547 8.214 1.00 0.00 H new ATOM 0 HA GLU A 96 0.167 11.653 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.982 12.743 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.637 13.628 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.919 11.857 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.424 10.966 9.739 1.00 0.00 H new ATOM 1425 N THR A 97 1.276 13.218 5.249 1.00 0.00 N ATOM 1426 CA THR A 97 1.911 14.033 4.234 1.00 0.00 C ATOM 1427 C THR A 97 2.410 15.341 4.836 1.00 0.00 C ATOM 1428 O THR A 97 1.637 16.113 5.403 1.00 0.00 O ATOM 1429 CB THR A 97 0.926 14.330 3.094 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.291 14.850 3.638 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.628 13.071 2.297 1.00 0.00 C ATOM 0 H THR A 97 0.268 13.113 5.133 1.00 0.00 H new ATOM 0 HA THR A 97 2.761 13.480 3.835 1.00 0.00 H new ATOM 0 HB THR A 97 1.378 15.064 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.927 15.022 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.072 13.305 1.495 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.553 12.683 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.189 12.320 2.954 1.00 0.00 H new ATOM 1439 N THR A 98 3.711 15.576 4.723 1.00 0.00 N ATOM 1440 CA THR A 98 4.317 16.778 5.269 1.00 0.00 C ATOM 1441 C THR A 98 3.871 18.002 4.477 1.00 0.00 C ATOM 1442 O THR A 98 3.725 19.097 5.023 1.00 0.00 O ATOM 1443 CB THR A 98 5.852 16.674 5.221 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.263 15.390 5.714 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.505 17.771 6.051 1.00 0.00 C ATOM 0 H THR A 98 4.366 14.948 4.257 1.00 0.00 H new ATOM 0 HA THR A 98 3.995 16.881 6.305 1.00 0.00 H new ATOM 0 HB THR A 98 6.170 16.794 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.240 15.325 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.589 17.671 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.211 18.746 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.183 17.682 7.089 1.00 0.00 H new