USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=25 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 :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0091 USER MOD Single : A 25 SER OG : rot 180:sc= -1.33 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.041 F(o=-1.4!,f=-0.041) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00156 USER MOD Single : A 40 TYR OH : rot 34:sc= -5.82! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.66! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -24:sc= 0.136 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00326 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.957 USER MOD Single : A 62 ASN : amide:sc= -0.0705 K(o=-0.07,f=-2.6!) USER MOD Single : A 63 SER OG : rot 33:sc= 0.00165 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-7.3e-05 USER MOD Single : A 70 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.5!) USER MOD Single : A 74 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 75 TYR OH : rot 171:sc= -0.834 USER MOD Single : A 76 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.9!) 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= -0.224 X(o=-0.22,f=-0.0099) USER MOD Single : A 86 GLN : amide:sc= -0.905 K(o=-0.91,f=-5.2!) USER MOD Single : A 88 SER OG : rot 83:sc= 1.18 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.136 F(o=-2,f=-0.14) USER MOD Single : A 97 THR OG1 : rot -175:sc= 1.91 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00831 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.254 -11.890 3.972 1.00 0.00 N ATOM 142 CA ALA A 12 2.344 -10.520 3.505 1.00 0.00 C ATOM 143 C ALA A 12 3.791 -10.061 3.569 1.00 0.00 C ATOM 144 O ALA A 12 4.619 -10.708 4.216 1.00 0.00 O ATOM 145 CB ALA A 12 1.483 -9.621 4.370 1.00 0.00 C ATOM 0 HA ALA A 12 1.989 -10.465 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.556 -8.594 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.445 -9.951 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.828 -9.671 5.403 1.00 0.00 H new ATOM 151 N PRO A 13 4.131 -8.958 2.895 1.00 0.00 N ATOM 152 CA PRO A 13 5.453 -8.358 3.016 1.00 0.00 C ATOM 153 C PRO A 13 5.640 -7.717 4.385 1.00 0.00 C ATOM 154 O PRO A 13 4.798 -6.925 4.820 1.00 0.00 O ATOM 155 CB PRO A 13 5.464 -7.276 1.925 1.00 0.00 C ATOM 156 CG PRO A 13 4.301 -7.585 1.048 1.00 0.00 C ATOM 157 CD PRO A 13 3.287 -8.216 1.947 1.00 0.00 C ATOM 0 HA PRO A 13 6.252 -9.091 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.375 -6.280 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.397 -7.296 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.907 -6.681 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.585 -8.260 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.669 -7.472 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.612 -8.875 1.400 1.00 0.00 H new ATOM 165 N PRO A 14 6.724 -8.079 5.096 1.00 0.00 N ATOM 166 CA PRO A 14 7.108 -7.427 6.348 1.00 0.00 C ATOM 167 C PRO A 14 7.035 -5.914 6.243 1.00 0.00 C ATOM 168 O PRO A 14 7.299 -5.346 5.178 1.00 0.00 O ATOM 169 CB PRO A 14 8.549 -7.889 6.544 1.00 0.00 C ATOM 170 CG PRO A 14 8.591 -9.237 5.918 1.00 0.00 C ATOM 171 CD PRO A 14 7.638 -9.184 4.754 1.00 0.00 C ATOM 0 HA PRO A 14 6.449 -7.685 7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.254 -7.207 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.812 -7.933 7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.600 -9.481 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.295 -10.007 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.162 -8.994 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.101 -10.125 4.634 1.00 0.00 H new ATOM 179 N ASP A 15 6.696 -5.297 7.376 1.00 0.00 N ATOM 180 CA ASP A 15 6.372 -3.869 7.482 1.00 0.00 C ATOM 181 C ASP A 15 7.159 -3.008 6.497 1.00 0.00 C ATOM 182 O ASP A 15 8.357 -2.775 6.677 1.00 0.00 O ATOM 183 CB ASP A 15 6.656 -3.414 8.915 1.00 0.00 C ATOM 184 CG ASP A 15 6.292 -1.969 9.176 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.092 -1.679 9.355 1.00 0.00 O ATOM 186 OD2 ASP A 15 7.209 -1.126 9.251 1.00 0.00 O ATOM 0 H ASP A 15 6.637 -5.787 8.269 1.00 0.00 H new ATOM 0 HA ASP A 15 5.319 -3.742 7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.102 -4.050 9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.715 -3.557 9.130 1.00 0.00 H new ATOM 191 N PRO A 16 6.484 -2.539 5.431 1.00 0.00 N ATOM 192 CA PRO A 16 7.075 -1.659 4.410 1.00 0.00 C ATOM 193 C PRO A 16 7.305 -0.252 4.932 1.00 0.00 C ATOM 194 O PRO A 16 6.596 0.225 5.816 1.00 0.00 O ATOM 195 CB PRO A 16 6.024 -1.650 3.281 1.00 0.00 C ATOM 196 CG PRO A 16 5.142 -2.805 3.598 1.00 0.00 C ATOM 197 CD PRO A 16 5.091 -2.852 5.095 1.00 0.00 C ATOM 0 HA PRO A 16 8.055 -2.011 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.465 -0.714 3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.490 -1.761 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.147 -2.671 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.542 -3.732 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.393 -2.123 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.787 -3.830 5.467 1.00 0.00 H new ATOM 205 N THR A 17 8.297 0.405 4.376 1.00 0.00 N ATOM 206 CA THR A 17 8.678 1.728 4.822 1.00 0.00 C ATOM 207 C THR A 17 8.548 2.739 3.703 1.00 0.00 C ATOM 208 O THR A 17 8.906 2.482 2.554 1.00 0.00 O ATOM 209 CB THR A 17 10.120 1.716 5.369 1.00 0.00 C ATOM 210 OG1 THR A 17 10.257 0.656 6.329 1.00 0.00 O ATOM 211 CG2 THR A 17 10.475 3.042 6.023 1.00 0.00 C ATOM 0 H THR A 17 8.860 0.042 3.607 1.00 0.00 H new ATOM 0 HA THR A 17 8.000 2.022 5.623 1.00 0.00 H new ATOM 0 HB THR A 17 10.801 1.556 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.173 0.646 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.498 3.000 6.398 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.390 3.844 5.290 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.792 3.234 6.851 1.00 0.00 H new ATOM 219 N VAL A 18 7.969 3.864 4.059 1.00 0.00 N ATOM 220 CA VAL A 18 7.855 5.002 3.159 1.00 0.00 C ATOM 221 C VAL A 18 9.188 5.735 3.080 1.00 0.00 C ATOM 222 O VAL A 18 9.751 6.130 4.101 1.00 0.00 O ATOM 223 CB VAL A 18 6.746 5.972 3.620 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.743 7.242 2.771 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.386 5.285 3.576 1.00 0.00 C ATOM 0 H VAL A 18 7.562 4.021 4.981 1.00 0.00 H new ATOM 0 HA VAL A 18 7.587 4.628 2.171 1.00 0.00 H new ATOM 0 HB VAL A 18 6.951 6.261 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.953 7.909 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.706 7.743 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.568 6.981 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.615 5.982 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.174 4.963 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.395 4.418 4.236 1.00 0.00 H new ATOM 235 N ASP A 19 9.685 5.905 1.864 1.00 0.00 N ATOM 236 CA ASP A 19 11.004 6.481 1.645 1.00 0.00 C ATOM 237 C ASP A 19 10.934 8.002 1.556 1.00 0.00 C ATOM 238 O ASP A 19 11.720 8.705 2.190 1.00 0.00 O ATOM 239 CB ASP A 19 11.624 5.900 0.372 1.00 0.00 C ATOM 240 CG ASP A 19 13.058 6.343 0.165 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.929 5.934 0.961 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.324 7.094 -0.796 1.00 0.00 O ATOM 0 H ASP A 19 9.191 5.650 1.009 1.00 0.00 H new ATOM 0 HA ASP A 19 11.634 6.225 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.588 4.812 0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.027 6.202 -0.488 1.00 0.00 H new ATOM 247 N GLN A 20 9.989 8.507 0.769 1.00 0.00 N ATOM 248 CA GLN A 20 9.809 9.949 0.613 1.00 0.00 C ATOM 249 C GLN A 20 8.336 10.317 0.649 1.00 0.00 C ATOM 250 O GLN A 20 7.479 9.554 0.193 1.00 0.00 O ATOM 251 CB GLN A 20 10.437 10.447 -0.694 1.00 0.00 C ATOM 252 CG GLN A 20 11.945 10.256 -0.760 1.00 0.00 C ATOM 253 CD GLN A 20 12.570 10.881 -1.993 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.811 10.960 -3.075 1.00 0.00 O flip ATOM 255 NE2 GLN A 20 13.729 11.295 -1.971 1.00 0.00 N flip ATOM 0 H GLN A 20 9.335 7.940 0.229 1.00 0.00 H new ATOM 0 HA GLN A 20 10.315 10.434 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.976 9.922 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.208 11.506 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.400 10.690 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.171 9.190 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.283 11.216 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.136 11.717 -2.806 1.00 0.00 H new ATOM 264 N VAL A 21 8.055 11.483 1.206 1.00 0.00 N ATOM 265 CA VAL A 21 6.688 11.974 1.338 1.00 0.00 C ATOM 266 C VAL A 21 6.560 13.417 0.839 1.00 0.00 C ATOM 267 O VAL A 21 7.447 14.242 1.061 1.00 0.00 O ATOM 268 CB VAL A 21 6.203 11.900 2.808 1.00 0.00 C ATOM 269 CG1 VAL A 21 6.084 10.458 3.278 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.138 12.672 3.724 1.00 0.00 C ATOM 0 H VAL A 21 8.763 12.116 1.579 1.00 0.00 H new ATOM 0 HA VAL A 21 6.062 11.329 0.722 1.00 0.00 H new ATOM 0 HB VAL A 21 5.214 12.356 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.742 10.440 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.368 9.928 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.057 9.971 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.778 12.606 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.140 12.247 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.168 13.717 3.416 1.00 0.00 H new ATOM 280 N ASP A 22 5.459 13.703 0.147 1.00 0.00 N ATOM 281 CA ASP A 22 5.144 15.060 -0.312 1.00 0.00 C ATOM 282 C ASP A 22 3.671 15.363 -0.034 1.00 0.00 C ATOM 283 O ASP A 22 3.088 14.796 0.891 1.00 0.00 O ATOM 284 CB ASP A 22 5.430 15.220 -1.811 1.00 0.00 C ATOM 285 CG ASP A 22 6.901 15.129 -2.163 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.651 16.086 -1.875 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.312 14.110 -2.757 1.00 0.00 O ATOM 0 H ASP A 22 4.761 13.006 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 22 5.777 15.762 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.886 14.451 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.044 16.183 -2.145 1.00 0.00 H new ATOM 292 N ASP A 23 3.073 16.262 -0.822 1.00 0.00 N ATOM 293 CA ASP A 23 1.657 16.610 -0.659 1.00 0.00 C ATOM 294 C ASP A 23 0.769 15.511 -1.227 1.00 0.00 C ATOM 295 O ASP A 23 0.151 14.741 -0.495 1.00 0.00 O ATOM 296 CB ASP A 23 1.307 17.923 -1.386 1.00 0.00 C ATOM 297 CG ASP A 23 2.223 19.087 -1.067 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.268 19.220 -1.737 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.893 19.891 -0.171 1.00 0.00 O ATOM 0 H ASP A 23 3.545 16.761 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 23 1.484 16.730 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.330 17.744 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.285 18.202 -1.131 1.00 0.00 H new ATOM 304 N THR A 24 0.730 15.450 -2.549 1.00 0.00 N ATOM 305 CA THR A 24 -0.143 14.544 -3.278 1.00 0.00 C ATOM 306 C THR A 24 0.640 13.336 -3.792 1.00 0.00 C ATOM 307 O THR A 24 0.375 12.835 -4.883 1.00 0.00 O ATOM 308 CB THR A 24 -0.764 15.291 -4.473 1.00 0.00 C ATOM 309 OG1 THR A 24 0.275 15.910 -5.245 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.738 16.356 -3.997 1.00 0.00 C ATOM 0 H THR A 24 1.310 16.034 -3.152 1.00 0.00 H new ATOM 0 HA THR A 24 -0.925 14.194 -2.604 1.00 0.00 H new ATOM 0 HB THR A 24 -1.305 14.571 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.121 16.384 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.164 16.870 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.537 15.888 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.212 17.075 -3.368 1.00 0.00 H new ATOM 318 N SER A 25 1.594 12.866 -2.995 1.00 0.00 N ATOM 319 CA SER A 25 2.504 11.805 -3.416 1.00 0.00 C ATOM 320 C SER A 25 3.325 11.280 -2.234 1.00 0.00 C ATOM 321 O SER A 25 3.849 12.057 -1.436 1.00 0.00 O ATOM 322 CB SER A 25 3.429 12.301 -4.535 1.00 0.00 C ATOM 323 OG SER A 25 4.133 13.469 -4.148 1.00 0.00 O ATOM 0 H SER A 25 1.758 13.206 -2.047 1.00 0.00 H new ATOM 0 HA SER A 25 1.903 10.981 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.139 11.516 -4.796 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.841 12.509 -5.429 1.00 0.00 H new ATOM 0 HG SER A 25 4.715 13.759 -4.882 1.00 0.00 H new ATOM 329 N ILE A 26 3.414 9.960 -2.127 1.00 0.00 N ATOM 330 CA ILE A 26 4.192 9.297 -1.066 1.00 0.00 C ATOM 331 C ILE A 26 4.701 7.957 -1.583 1.00 0.00 C ATOM 332 O ILE A 26 3.990 7.283 -2.299 1.00 0.00 O ATOM 333 CB ILE A 26 3.338 9.068 0.216 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.212 10.356 1.033 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.912 7.954 1.079 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.441 10.184 2.323 1.00 0.00 C ATOM 0 H ILE A 26 2.954 9.313 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 26 5.027 9.945 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 26 2.343 8.765 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.210 10.729 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.721 11.115 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.290 7.823 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.932 7.025 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.926 8.215 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.393 11.138 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.431 9.841 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.943 9.449 2.952 1.00 0.00 H new ATOM 348 N VAL A 27 5.911 7.549 -1.236 1.00 0.00 N ATOM 349 CA VAL A 27 6.441 6.313 -1.788 1.00 0.00 C ATOM 350 C VAL A 27 6.663 5.286 -0.698 1.00 0.00 C ATOM 351 O VAL A 27 7.320 5.570 0.296 1.00 0.00 O ATOM 352 CB VAL A 27 7.768 6.527 -2.518 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.195 5.229 -3.180 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.655 7.648 -3.537 1.00 0.00 C ATOM 0 H VAL A 27 6.531 8.040 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 27 5.697 5.956 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 27 8.528 6.822 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.141 5.380 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.318 4.457 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.433 4.917 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.612 7.779 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.889 7.397 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.382 8.574 -3.031 1.00 0.00 H new ATOM 364 N VAL A 28 6.146 4.084 -0.893 1.00 0.00 N ATOM 365 CA VAL A 28 6.267 3.052 0.119 1.00 0.00 C ATOM 366 C VAL A 28 6.943 1.823 -0.473 1.00 0.00 C ATOM 367 O VAL A 28 6.754 1.523 -1.649 1.00 0.00 O ATOM 368 CB VAL A 28 4.894 2.678 0.732 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.875 3.773 0.524 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.380 1.360 0.208 1.00 0.00 C ATOM 0 H VAL A 28 5.644 3.802 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 28 6.882 3.447 0.928 1.00 0.00 H new ATOM 0 HB VAL A 28 5.052 2.565 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.925 3.475 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.225 4.690 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.739 3.945 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.416 1.138 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.264 1.419 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.089 0.569 0.454 1.00 0.00 H new ATOM 380 N ARG A 29 7.735 1.129 0.338 1.00 0.00 N ATOM 381 CA ARG A 29 8.534 -0.004 -0.135 1.00 0.00 C ATOM 382 C ARG A 29 8.367 -1.203 0.788 1.00 0.00 C ATOM 383 O ARG A 29 8.661 -1.124 1.979 1.00 0.00 O ATOM 384 CB ARG A 29 10.015 0.387 -0.214 1.00 0.00 C ATOM 385 CG ARG A 29 10.260 1.736 -0.879 1.00 0.00 C ATOM 386 CD ARG A 29 11.739 2.080 -0.934 1.00 0.00 C ATOM 387 NE ARG A 29 12.467 1.256 -1.899 1.00 0.00 N ATOM 388 CZ ARG A 29 13.783 1.050 -1.861 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.509 1.524 -0.855 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.368 0.354 -2.824 1.00 0.00 N ATOM 0 H ARG A 29 7.843 1.330 1.332 1.00 0.00 H new ATOM 0 HA ARG A 29 8.182 -0.277 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.430 0.408 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.556 -0.383 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.853 1.722 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.727 2.513 -0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.855 3.131 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.177 1.949 0.055 1.00 0.00 H new ATOM 0 HE ARG A 29 11.934 0.812 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.060 2.049 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.516 1.363 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.811 -0.022 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.375 0.194 -2.798 1.00 0.00 H new ATOM 404 N TRP A 30 7.924 -2.312 0.214 1.00 0.00 N ATOM 405 CA TRP A 30 7.593 -3.515 0.980 1.00 0.00 C ATOM 406 C TRP A 30 8.531 -4.678 0.654 1.00 0.00 C ATOM 407 O TRP A 30 9.023 -4.812 -0.469 1.00 0.00 O ATOM 408 CB TRP A 30 6.132 -3.932 0.725 1.00 0.00 C ATOM 409 CG TRP A 30 5.792 -4.118 -0.712 1.00 0.00 C ATOM 410 CD1 TRP A 30 6.029 -5.215 -1.468 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.117 -3.187 -1.553 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.588 -5.011 -2.747 1.00 0.00 N ATOM 413 CE2 TRP A 30 5.005 -3.778 -2.820 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.600 -1.911 -1.358 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.397 -3.134 -3.888 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.993 -1.278 -2.417 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.892 -1.886 -3.663 1.00 0.00 C ATOM 0 H TRP A 30 7.783 -2.408 -0.792 1.00 0.00 H new ATOM 0 HA TRP A 30 7.720 -3.270 2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.933 -4.862 1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.471 -3.176 1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.498 -6.121 -1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.680 -5.671 -3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.674 -1.427 -0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.326 -3.602 -4.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.586 -0.287 -2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.404 -1.360 -4.470 1.00 0.00 H new ATOM 428 N SER A 31 8.769 -5.519 1.649 1.00 0.00 N ATOM 429 CA SER A 31 9.589 -6.706 1.480 1.00 0.00 C ATOM 430 C SER A 31 8.701 -7.896 1.126 1.00 0.00 C ATOM 431 O SER A 31 8.268 -8.635 1.998 1.00 0.00 O ATOM 432 CB SER A 31 10.379 -6.980 2.763 1.00 0.00 C ATOM 433 OG SER A 31 11.297 -8.046 2.596 1.00 0.00 O ATOM 0 H SER A 31 8.400 -5.398 2.592 1.00 0.00 H new ATOM 0 HA SER A 31 10.298 -6.547 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.917 -6.079 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.688 -7.218 3.572 1.00 0.00 H new ATOM 0 HG SER A 31 11.785 -8.192 3.433 1.00 0.00 H new ATOM 439 N ARG A 32 8.436 -8.044 -0.165 1.00 0.00 N ATOM 440 CA ARG A 32 7.536 -9.072 -0.707 1.00 0.00 C ATOM 441 C ARG A 32 7.730 -10.463 -0.057 1.00 0.00 C ATOM 442 O ARG A 32 8.830 -10.830 0.361 1.00 0.00 O ATOM 443 CB ARG A 32 7.721 -9.144 -2.227 1.00 0.00 C ATOM 444 CG ARG A 32 9.166 -9.007 -2.660 1.00 0.00 C ATOM 445 CD ARG A 32 9.510 -7.589 -3.106 1.00 0.00 C ATOM 446 NE ARG A 32 10.926 -7.477 -3.451 1.00 0.00 N ATOM 447 CZ ARG A 32 11.824 -6.770 -2.760 1.00 0.00 C ATOM 448 NH1 ARG A 32 11.457 -6.044 -1.709 1.00 0.00 N ATOM 449 NH2 ARG A 32 13.093 -6.776 -3.140 1.00 0.00 N ATOM 0 H ARG A 32 8.844 -7.446 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 32 6.514 -8.779 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.328 -10.094 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.132 -8.356 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.818 -9.293 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.364 -9.700 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.900 -7.317 -3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.269 -6.885 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 32 11.252 -7.975 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.479 -6.022 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.154 -5.509 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.379 -7.318 -3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.784 -6.238 -2.617 1.00 0.00 H new ATOM 463 N PRO A 33 6.640 -11.263 -0.014 1.00 0.00 N ATOM 464 CA PRO A 33 6.519 -12.457 0.830 1.00 0.00 C ATOM 465 C PRO A 33 7.235 -13.689 0.302 1.00 0.00 C ATOM 466 O PRO A 33 7.656 -13.751 -0.852 1.00 0.00 O ATOM 467 CB PRO A 33 5.005 -12.746 0.836 1.00 0.00 C ATOM 468 CG PRO A 33 4.364 -11.658 0.043 1.00 0.00 C ATOM 469 CD PRO A 33 5.437 -11.091 -0.821 1.00 0.00 C ATOM 0 HA PRO A 33 6.972 -12.262 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.794 -13.721 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.617 -12.764 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.543 -12.046 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.945 -10.893 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.510 -11.620 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.255 -10.042 -1.053 1.00 0.00 H new ATOM 477 N GLN A 34 7.338 -14.682 1.182 1.00 0.00 N ATOM 478 CA GLN A 34 7.809 -16.010 0.820 1.00 0.00 C ATOM 479 C GLN A 34 6.783 -16.690 -0.081 1.00 0.00 C ATOM 480 O GLN A 34 7.120 -17.526 -0.918 1.00 0.00 O ATOM 481 CB GLN A 34 8.020 -16.845 2.082 1.00 0.00 C ATOM 482 CG GLN A 34 8.436 -18.283 1.811 1.00 0.00 C ATOM 483 CD GLN A 34 8.372 -19.163 3.047 1.00 0.00 C ATOM 484 OE1 GLN A 34 7.423 -18.889 3.929 1.00 0.00 O flip ATOM 485 NE2 GLN A 34 9.159 -20.098 3.195 1.00 0.00 N flip ATOM 0 H GLN A 34 7.096 -14.585 2.168 1.00 0.00 H new ATOM 0 HA GLN A 34 8.755 -15.922 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.782 -16.367 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.097 -16.848 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.791 -18.703 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.452 -18.293 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.877 -20.277 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.093 -20.694 4.020 1.00 0.00 H new ATOM 494 N ALA A 35 5.528 -16.304 0.108 1.00 0.00 N ATOM 495 CA ALA A 35 4.416 -16.849 -0.654 1.00 0.00 C ATOM 496 C ALA A 35 4.561 -16.552 -2.134 1.00 0.00 C ATOM 497 O ALA A 35 4.952 -15.444 -2.510 1.00 0.00 O ATOM 498 CB ALA A 35 3.110 -16.254 -0.158 1.00 0.00 C ATOM 0 H ALA A 35 5.254 -15.603 0.796 1.00 0.00 H new ATOM 0 HA ALA A 35 4.416 -17.930 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.281 -16.666 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.977 -16.497 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.134 -15.171 -0.281 1.00 0.00 H new ATOM 504 N PRO A 36 4.275 -17.532 -2.995 1.00 0.00 N ATOM 505 CA PRO A 36 4.134 -17.273 -4.414 1.00 0.00 C ATOM 506 C PRO A 36 2.853 -16.489 -4.659 1.00 0.00 C ATOM 507 O PRO A 36 1.751 -16.987 -4.428 1.00 0.00 O ATOM 508 CB PRO A 36 4.050 -18.669 -5.050 1.00 0.00 C ATOM 509 CG PRO A 36 4.404 -19.634 -3.965 1.00 0.00 C ATOM 510 CD PRO A 36 4.085 -18.951 -2.668 1.00 0.00 C ATOM 0 HA PRO A 36 4.954 -16.686 -4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.049 -18.864 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.738 -18.757 -5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.835 -20.558 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.459 -19.902 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.066 -19.158 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.749 -19.274 -1.866 1.00 0.00 H new ATOM 518 N ILE A 37 3.005 -15.269 -5.129 1.00 0.00 N ATOM 519 CA ILE A 37 1.885 -14.362 -5.307 1.00 0.00 C ATOM 520 C ILE A 37 1.768 -13.998 -6.791 1.00 0.00 C ATOM 521 O ILE A 37 2.723 -14.170 -7.545 1.00 0.00 O ATOM 522 CB ILE A 37 2.078 -13.080 -4.450 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.347 -12.354 -4.917 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.133 -13.399 -2.938 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.175 -11.757 -3.807 1.00 0.00 C ATOM 0 H ILE A 37 3.907 -14.876 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 37 0.969 -14.852 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 37 1.216 -12.428 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.966 -13.056 -5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.062 -11.560 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.269 -12.475 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.202 -13.876 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.967 -14.071 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.051 -11.265 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.578 -11.028 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.496 -12.546 -3.127 1.00 0.00 H new ATOM 537 N THR A 38 0.598 -13.539 -7.217 1.00 0.00 N ATOM 538 CA THR A 38 0.372 -13.196 -8.614 1.00 0.00 C ATOM 539 C THR A 38 0.431 -11.690 -8.881 1.00 0.00 C ATOM 540 O THR A 38 0.754 -11.272 -9.995 1.00 0.00 O ATOM 541 CB THR A 38 -0.968 -13.750 -9.125 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.015 -13.472 -8.188 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.867 -15.238 -9.373 1.00 0.00 C ATOM 0 H THR A 38 -0.211 -13.396 -6.612 1.00 0.00 H new ATOM 0 HA THR A 38 1.190 -13.665 -9.160 1.00 0.00 H new ATOM 0 HB THR A 38 -1.206 -13.257 -10.068 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.862 -13.830 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.825 -15.613 -9.734 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.097 -15.431 -10.120 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.606 -15.745 -8.444 1.00 0.00 H new ATOM 551 N GLY A 39 0.114 -10.869 -7.888 1.00 0.00 N ATOM 552 CA GLY A 39 0.205 -9.439 -8.079 1.00 0.00 C ATOM 553 C GLY A 39 0.090 -8.679 -6.783 1.00 0.00 C ATOM 554 O GLY A 39 0.143 -9.278 -5.717 1.00 0.00 O ATOM 0 H GLY A 39 -0.201 -11.166 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.155 -9.198 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.583 -9.115 -8.759 1.00 0.00 H new ATOM 558 N TYR A 40 -0.066 -7.366 -6.872 1.00 0.00 N ATOM 559 CA TYR A 40 -0.236 -6.520 -5.697 1.00 0.00 C ATOM 560 C TYR A 40 -1.310 -5.480 -5.916 1.00 0.00 C ATOM 561 O TYR A 40 -1.365 -4.835 -6.961 1.00 0.00 O ATOM 562 CB TYR A 40 1.054 -5.789 -5.337 1.00 0.00 C ATOM 563 CG TYR A 40 1.959 -6.566 -4.420 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.338 -7.861 -4.721 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.437 -6.001 -3.248 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.169 -8.568 -3.891 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.272 -6.705 -2.418 1.00 0.00 C ATOM 568 CZ TYR A 40 3.638 -7.982 -2.746 1.00 0.00 C ATOM 569 OH TYR A 40 4.480 -8.672 -1.928 1.00 0.00 O ATOM 0 H TYR A 40 -0.078 -6.858 -7.756 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.522 -7.188 -4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.596 -5.555 -6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.802 -4.840 -4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.973 -8.324 -5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.148 -4.994 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.452 -9.580 -4.139 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.639 -6.253 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 40 5.056 -9.253 -2.467 1.00 0.00 H new ATOM 579 N ARG A 41 -2.164 -5.335 -4.929 1.00 0.00 N ATOM 580 CA ARG A 41 -3.115 -4.246 -4.896 1.00 0.00 C ATOM 581 C ARG A 41 -2.769 -3.326 -3.762 1.00 0.00 C ATOM 582 O ARG A 41 -2.244 -3.763 -2.760 1.00 0.00 O ATOM 583 CB ARG A 41 -4.497 -4.791 -4.697 1.00 0.00 C ATOM 584 CG ARG A 41 -4.635 -6.163 -5.319 1.00 0.00 C ATOM 585 CD ARG A 41 -5.965 -6.813 -5.021 1.00 0.00 C ATOM 586 NE ARG A 41 -6.255 -6.906 -3.593 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.936 -7.910 -3.048 1.00 0.00 C ATOM 588 NH1 ARG A 41 -7.353 -8.924 -3.798 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.218 -7.902 -1.752 1.00 0.00 N ATOM 0 H ARG A 41 -2.220 -5.965 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.078 -3.698 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.719 -4.847 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.226 -4.112 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.510 -6.081 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.833 -6.804 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.757 -6.245 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.978 -7.814 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.918 -6.162 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.151 -8.936 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.875 -9.691 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.912 -7.123 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.741 -8.674 -1.339 1.00 0.00 H new ATOM 603 N ILE A 42 -3.024 -2.056 -3.921 1.00 0.00 N ATOM 604 CA ILE A 42 -2.578 -1.094 -2.919 1.00 0.00 C ATOM 605 C ILE A 42 -3.620 -0.041 -2.611 1.00 0.00 C ATOM 606 O ILE A 42 -3.847 0.843 -3.415 1.00 0.00 O ATOM 607 CB ILE A 42 -1.285 -0.407 -3.388 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.294 -1.459 -3.869 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.684 0.422 -2.264 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.877 -0.900 -4.627 1.00 0.00 C ATOM 0 H ILE A 42 -3.527 -1.657 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.400 -1.656 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.517 0.265 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.077 -2.014 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.818 -2.172 -4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.230 0.901 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.397 1.185 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.454 -0.225 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.534 -1.714 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.519 -0.370 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.428 -0.210 -3.988 1.00 0.00 H new ATOM 622 N VAL A 43 -4.202 -0.097 -1.422 1.00 0.00 N ATOM 623 CA VAL A 43 -5.239 0.862 -1.055 1.00 0.00 C ATOM 624 C VAL A 43 -4.745 1.809 0.022 1.00 0.00 C ATOM 625 O VAL A 43 -4.529 1.413 1.164 1.00 0.00 O ATOM 626 CB VAL A 43 -6.539 0.188 -0.571 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.547 1.227 -0.127 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.132 -0.681 -1.658 1.00 0.00 C ATOM 0 H VAL A 43 -3.980 -0.785 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.467 1.416 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.291 -0.445 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.457 0.730 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.129 1.813 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.782 1.886 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.048 -1.146 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.359 -0.068 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.417 -1.456 -1.935 1.00 0.00 H new ATOM 638 N TYR A 44 -4.572 3.057 -0.353 1.00 0.00 N ATOM 639 CA TYR A 44 -4.160 4.086 0.572 1.00 0.00 C ATOM 640 C TYR A 44 -5.245 5.119 0.720 1.00 0.00 C ATOM 641 O TYR A 44 -5.765 5.660 -0.272 1.00 0.00 O ATOM 642 CB TYR A 44 -2.827 4.717 0.149 1.00 0.00 C ATOM 643 CG TYR A 44 -2.634 4.834 -1.347 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.329 3.712 -2.106 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.739 6.055 -1.995 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.139 3.797 -3.465 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.547 6.152 -3.356 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.249 5.022 -4.087 1.00 0.00 C ATOM 649 OH TYR A 44 -2.060 5.120 -5.441 1.00 0.00 O ATOM 0 H TYR A 44 -4.713 3.386 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.996 3.627 1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.754 5.711 0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.011 4.124 0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.239 2.752 -1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.974 6.942 -1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.906 2.913 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.630 7.110 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.174 6.052 -5.721 1.00 0.00 H new ATOM 659 N SER A 45 -5.602 5.346 1.973 1.00 0.00 N ATOM 660 CA SER A 45 -6.708 6.228 2.319 1.00 0.00 C ATOM 661 C SER A 45 -6.361 7.144 3.496 1.00 0.00 C ATOM 662 O SER A 45 -5.731 6.722 4.462 1.00 0.00 O ATOM 663 CB SER A 45 -7.943 5.386 2.655 1.00 0.00 C ATOM 664 OG SER A 45 -7.623 4.354 3.575 1.00 0.00 O ATOM 0 H SER A 45 -5.136 4.927 2.778 1.00 0.00 H new ATOM 0 HA SER A 45 -6.914 6.866 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.719 6.025 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.349 4.951 1.742 1.00 0.00 H new ATOM 0 HG SER A 45 -8.428 3.832 3.774 1.00 0.00 H new ATOM 670 N PRO A 46 -6.759 8.423 3.405 1.00 0.00 N ATOM 671 CA PRO A 46 -6.581 9.407 4.478 1.00 0.00 C ATOM 672 C PRO A 46 -7.657 9.269 5.551 1.00 0.00 C ATOM 673 O PRO A 46 -8.818 8.992 5.252 1.00 0.00 O ATOM 674 CB PRO A 46 -6.733 10.732 3.740 1.00 0.00 C ATOM 675 CG PRO A 46 -7.676 10.437 2.629 1.00 0.00 C ATOM 676 CD PRO A 46 -7.431 9.008 2.234 1.00 0.00 C ATOM 0 HA PRO A 46 -5.632 9.296 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.125 11.509 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.774 11.088 3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.709 10.581 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.506 11.108 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.364 8.491 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.808 8.942 1.342 1.00 0.00 H new ATOM 744 N SER A 52 -8.590 8.606 -1.887 1.00 0.00 N ATOM 745 CA SER A 52 -8.023 7.281 -1.681 1.00 0.00 C ATOM 746 C SER A 52 -7.684 6.661 -3.019 1.00 0.00 C ATOM 747 O SER A 52 -8.377 6.915 -4.004 1.00 0.00 O ATOM 748 CB SER A 52 -8.996 6.386 -0.907 1.00 0.00 C ATOM 749 OG SER A 52 -10.281 6.379 -1.512 1.00 0.00 O ATOM 0 HA SER A 52 -7.113 7.376 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.605 5.369 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.078 6.737 0.122 1.00 0.00 H new ATOM 0 HG SER A 52 -10.399 7.197 -2.038 1.00 0.00 H new ATOM 755 N THR A 53 -6.643 5.858 -3.080 1.00 0.00 N ATOM 756 CA THR A 53 -6.282 5.248 -4.349 1.00 0.00 C ATOM 757 C THR A 53 -5.844 3.793 -4.170 1.00 0.00 C ATOM 758 O THR A 53 -5.315 3.419 -3.121 1.00 0.00 O ATOM 759 CB THR A 53 -5.176 6.063 -5.051 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.507 7.460 -5.045 1.00 0.00 O ATOM 761 CG2 THR A 53 -4.980 5.604 -6.486 1.00 0.00 C ATOM 0 H THR A 53 -6.044 5.615 -2.291 1.00 0.00 H new ATOM 0 HA THR A 53 -7.171 5.252 -4.979 1.00 0.00 H new ATOM 0 HB THR A 53 -4.249 5.901 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.797 7.966 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.194 6.197 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.695 4.552 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.910 5.733 -7.040 1.00 0.00 H new ATOM 769 N GLU A 54 -6.110 2.979 -5.191 1.00 0.00 N ATOM 770 CA GLU A 54 -5.717 1.584 -5.221 1.00 0.00 C ATOM 771 C GLU A 54 -4.852 1.323 -6.452 1.00 0.00 C ATOM 772 O GLU A 54 -5.336 1.401 -7.581 1.00 0.00 O ATOM 773 CB GLU A 54 -6.958 0.681 -5.246 1.00 0.00 C ATOM 774 CG GLU A 54 -6.639 -0.807 -5.213 1.00 0.00 C ATOM 775 CD GLU A 54 -7.879 -1.674 -5.318 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.488 -1.988 -4.274 1.00 0.00 O ATOM 777 OE2 GLU A 54 -8.253 -2.049 -6.452 1.00 0.00 O ATOM 0 H GLU A 54 -6.611 3.280 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.142 1.357 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.591 0.926 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.536 0.899 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.962 -1.048 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.114 -1.041 -4.287 1.00 0.00 H new ATOM 784 N LEU A 55 -3.574 1.032 -6.243 1.00 0.00 N ATOM 785 CA LEU A 55 -2.680 0.763 -7.363 1.00 0.00 C ATOM 786 C LEU A 55 -2.496 -0.725 -7.552 1.00 0.00 C ATOM 787 O LEU A 55 -2.860 -1.521 -6.683 1.00 0.00 O ATOM 788 CB LEU A 55 -1.319 1.477 -7.224 1.00 0.00 C ATOM 789 CG LEU A 55 -1.408 2.997 -7.305 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.059 3.613 -7.633 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.452 3.432 -8.324 1.00 0.00 C ATOM 0 H LEU A 55 -3.138 0.977 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.155 1.173 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.870 1.199 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.651 1.120 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.716 3.357 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.157 4.697 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.660 3.349 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.290 3.235 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.494 4.521 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.183 3.046 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.428 3.041 -8.035 1.00 0.00 H new ATOM 803 N ASN A 56 -1.981 -1.094 -8.711 1.00 0.00 N ATOM 804 CA ASN A 56 -1.735 -2.485 -9.034 1.00 0.00 C ATOM 805 C ASN A 56 -0.291 -2.660 -9.460 1.00 0.00 C ATOM 806 O ASN A 56 0.151 -2.068 -10.443 1.00 0.00 O ATOM 807 CB ASN A 56 -2.667 -2.953 -10.151 1.00 0.00 C ATOM 808 CG ASN A 56 -2.622 -4.455 -10.347 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.816 -4.975 -11.122 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.496 -5.165 -9.647 1.00 0.00 N ATOM 0 H ASN A 56 -1.723 -0.440 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.929 -3.089 -8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.688 -2.650 -9.920 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.391 -2.459 -11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.518 -6.181 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.146 -4.696 -9.016 1.00 0.00 H new ATOM 817 N LEU A 57 0.441 -3.466 -8.718 1.00 0.00 N ATOM 818 CA LEU A 57 1.841 -3.684 -8.993 1.00 0.00 C ATOM 819 C LEU A 57 2.056 -5.150 -9.294 1.00 0.00 C ATOM 820 O LEU A 57 1.211 -5.979 -8.978 1.00 0.00 O ATOM 821 CB LEU A 57 2.718 -3.239 -7.804 1.00 0.00 C ATOM 822 CG LEU A 57 2.791 -1.735 -7.540 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.094 -1.391 -6.859 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.653 -0.939 -8.814 1.00 0.00 C ATOM 0 H LEU A 57 0.083 -3.983 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 57 2.134 -3.084 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.345 -3.727 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.731 -3.607 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 57 1.958 -1.472 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.136 -0.317 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.161 -1.924 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.927 -1.683 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.710 0.125 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.457 -1.207 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.692 -1.160 -9.279 1.00 0.00 H new ATOM 836 N PRO A 58 3.148 -5.483 -9.970 1.00 0.00 N ATOM 837 CA PRO A 58 3.504 -6.872 -10.211 1.00 0.00 C ATOM 838 C PRO A 58 3.826 -7.594 -8.908 1.00 0.00 C ATOM 839 O PRO A 58 4.219 -6.977 -7.920 1.00 0.00 O ATOM 840 CB PRO A 58 4.742 -6.790 -11.110 1.00 0.00 C ATOM 841 CG PRO A 58 5.260 -5.398 -10.970 1.00 0.00 C ATOM 842 CD PRO A 58 4.095 -4.536 -10.573 1.00 0.00 C ATOM 0 HA PRO A 58 2.690 -7.435 -10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.494 -7.518 -10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.487 -7.009 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.048 -5.353 -10.218 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.695 -5.052 -11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.393 -3.762 -9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.660 -4.029 -11.435 1.00 0.00 H new ATOM 850 N GLU A 59 3.625 -8.904 -8.920 1.00 0.00 N ATOM 851 CA GLU A 59 3.948 -9.779 -7.784 1.00 0.00 C ATOM 852 C GLU A 59 5.370 -9.549 -7.267 1.00 0.00 C ATOM 853 O GLU A 59 5.667 -9.780 -6.098 1.00 0.00 O ATOM 854 CB GLU A 59 3.805 -11.241 -8.212 1.00 0.00 C ATOM 855 CG GLU A 59 4.732 -11.629 -9.356 1.00 0.00 C ATOM 856 CD GLU A 59 4.590 -13.076 -9.768 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.287 -13.933 -9.192 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.796 -13.365 -10.689 1.00 0.00 O ATOM 0 H GLU A 59 3.231 -9.400 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 59 3.253 -9.542 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.008 -11.884 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.773 -11.425 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.526 -10.991 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.764 -11.441 -9.059 1.00 0.00 H new ATOM 865 N THR A 60 6.229 -9.087 -8.156 1.00 0.00 N ATOM 866 CA THR A 60 7.641 -8.903 -7.853 1.00 0.00 C ATOM 867 C THR A 60 7.956 -7.430 -7.570 1.00 0.00 C ATOM 868 O THR A 60 9.119 -7.018 -7.525 1.00 0.00 O ATOM 869 CB THR A 60 8.517 -9.431 -9.017 1.00 0.00 C ATOM 870 OG1 THR A 60 9.911 -9.287 -8.718 1.00 0.00 O ATOM 871 CG2 THR A 60 8.196 -8.707 -10.317 1.00 0.00 C ATOM 0 H THR A 60 5.971 -8.828 -9.108 1.00 0.00 H new ATOM 0 HA THR A 60 7.872 -9.476 -6.955 1.00 0.00 H new ATOM 0 HB THR A 60 8.290 -10.490 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.054 -8.457 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.826 -9.098 -11.116 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.148 -8.864 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.384 -7.640 -10.196 1.00 0.00 H new ATOM 879 N ALA A 61 6.915 -6.635 -7.365 1.00 0.00 N ATOM 880 CA ALA A 61 7.095 -5.227 -7.051 1.00 0.00 C ATOM 881 C ALA A 61 7.429 -5.066 -5.583 1.00 0.00 C ATOM 882 O ALA A 61 7.182 -5.972 -4.783 1.00 0.00 O ATOM 883 CB ALA A 61 5.849 -4.438 -7.391 1.00 0.00 C ATOM 0 H ALA A 61 5.943 -6.940 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 61 7.919 -4.840 -7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.006 -3.387 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.635 -4.536 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.007 -4.822 -6.815 1.00 0.00 H new ATOM 889 N ASN A 62 7.982 -3.922 -5.224 1.00 0.00 N ATOM 890 CA ASN A 62 8.374 -3.690 -3.847 1.00 0.00 C ATOM 891 C ASN A 62 8.238 -2.232 -3.449 1.00 0.00 C ATOM 892 O ASN A 62 8.800 -1.821 -2.442 1.00 0.00 O ATOM 893 CB ASN A 62 9.814 -4.135 -3.611 1.00 0.00 C ATOM 894 CG ASN A 62 10.836 -3.269 -4.327 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.589 -2.756 -5.420 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.988 -3.085 -3.705 1.00 0.00 N ATOM 0 H ASN A 62 8.168 -3.146 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 62 7.697 -4.280 -3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.021 -4.119 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.927 -5.167 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.709 -2.501 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.156 -3.527 -2.801 1.00 0.00 H new ATOM 903 N SER A 63 7.500 -1.446 -4.219 1.00 0.00 N ATOM 904 CA SER A 63 7.331 -0.042 -3.883 1.00 0.00 C ATOM 905 C SER A 63 6.286 0.628 -4.772 1.00 0.00 C ATOM 906 O SER A 63 6.294 0.454 -5.988 1.00 0.00 O ATOM 907 CB SER A 63 8.672 0.690 -4.018 1.00 0.00 C ATOM 908 OG SER A 63 9.284 0.417 -5.270 1.00 0.00 O ATOM 0 H SER A 63 7.017 -1.749 -5.065 1.00 0.00 H new ATOM 0 HA SER A 63 6.981 0.015 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.515 1.764 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.338 0.385 -3.211 1.00 0.00 H new ATOM 0 HG SER A 63 8.592 0.293 -5.952 1.00 0.00 H new ATOM 914 N VAL A 64 5.398 1.400 -4.160 1.00 0.00 N ATOM 915 CA VAL A 64 4.395 2.154 -4.905 1.00 0.00 C ATOM 916 C VAL A 64 4.568 3.650 -4.665 1.00 0.00 C ATOM 917 O VAL A 64 4.836 4.081 -3.534 1.00 0.00 O ATOM 918 CB VAL A 64 2.943 1.761 -4.529 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.740 1.802 -3.042 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.954 2.657 -5.216 1.00 0.00 C ATOM 0 H VAL A 64 5.351 1.522 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 64 4.552 1.911 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 64 2.777 0.738 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.713 1.522 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.425 1.104 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.934 2.810 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.942 2.363 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.128 3.690 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.073 2.570 -6.296 1.00 0.00 H new ATOM 930 N THR A 65 4.456 4.429 -5.732 1.00 0.00 N ATOM 931 CA THR A 65 4.365 5.855 -5.624 1.00 0.00 C ATOM 932 C THR A 65 2.896 6.267 -5.650 1.00 0.00 C ATOM 933 O THR A 65 2.253 6.298 -6.701 1.00 0.00 O ATOM 934 CB THR A 65 5.123 6.501 -6.784 1.00 0.00 C ATOM 935 OG1 THR A 65 6.523 6.217 -6.661 1.00 0.00 O ATOM 936 CG2 THR A 65 4.897 8.008 -6.839 1.00 0.00 C ATOM 0 H THR A 65 4.427 4.079 -6.689 1.00 0.00 H new ATOM 0 HA THR A 65 4.809 6.188 -4.686 1.00 0.00 H new ATOM 0 HB THR A 65 4.741 6.078 -7.713 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.007 6.630 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.453 8.429 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.834 8.212 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.242 8.462 -5.910 1.00 0.00 H new ATOM 944 N LEU A 66 2.373 6.541 -4.474 1.00 0.00 N ATOM 945 CA LEU A 66 1.004 6.980 -4.308 1.00 0.00 C ATOM 946 C LEU A 66 0.889 8.422 -4.744 1.00 0.00 C ATOM 947 O LEU A 66 1.779 9.226 -4.453 1.00 0.00 O ATOM 948 CB LEU A 66 0.579 6.891 -2.849 1.00 0.00 C ATOM 949 CG LEU A 66 1.394 5.963 -1.965 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.116 6.264 -0.518 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.069 4.519 -2.281 1.00 0.00 C ATOM 0 H LEU A 66 2.891 6.465 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 66 0.363 6.337 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.617 7.892 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.462 6.569 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 66 2.454 6.125 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.703 5.596 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.388 7.297 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.056 6.117 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.660 3.864 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.009 4.338 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.304 4.313 -3.325 1.00 0.00 H new ATOM 963 N SER A 67 -0.210 8.753 -5.397 1.00 0.00 N ATOM 964 CA SER A 67 -0.413 10.092 -5.898 1.00 0.00 C ATOM 965 C SER A 67 -1.837 10.544 -5.598 1.00 0.00 C ATOM 966 O SER A 67 -2.673 9.738 -5.178 1.00 0.00 O ATOM 967 CB SER A 67 -0.127 10.137 -7.402 1.00 0.00 C ATOM 968 OG SER A 67 -0.037 11.472 -7.873 1.00 0.00 O ATOM 0 H SER A 67 -0.976 8.108 -5.591 1.00 0.00 H new ATOM 0 HA SER A 67 0.276 10.774 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.805 9.612 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.917 9.613 -7.940 1.00 0.00 H new ATOM 0 HG SER A 67 0.148 11.468 -8.835 1.00 0.00 H new ATOM 974 N ASP A 68 -2.090 11.836 -5.800 1.00 0.00 N ATOM 975 CA ASP A 68 -3.391 12.444 -5.526 1.00 0.00 C ATOM 976 C ASP A 68 -3.739 12.358 -4.050 1.00 0.00 C ATOM 977 O ASP A 68 -4.903 12.205 -3.683 1.00 0.00 O ATOM 978 CB ASP A 68 -4.502 11.810 -6.367 1.00 0.00 C ATOM 979 CG ASP A 68 -4.422 12.210 -7.822 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.682 13.392 -8.132 1.00 0.00 O ATOM 981 OD2 ASP A 68 -4.114 11.342 -8.665 1.00 0.00 O ATOM 0 H ASP A 68 -1.397 12.492 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.314 13.495 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.440 10.725 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.471 12.104 -5.965 1.00 0.00 H new ATOM 986 N LEU A 69 -2.722 12.457 -3.204 1.00 0.00 N ATOM 987 CA LEU A 69 -2.935 12.517 -1.767 1.00 0.00 C ATOM 988 C LEU A 69 -3.343 13.932 -1.379 1.00 0.00 C ATOM 989 O LEU A 69 -3.506 14.795 -2.236 1.00 0.00 O ATOM 990 CB LEU A 69 -1.676 12.134 -0.980 1.00 0.00 C ATOM 991 CG LEU A 69 -0.839 10.994 -1.538 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.369 10.772 -0.659 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.675 9.737 -1.595 1.00 0.00 C ATOM 0 H LEU A 69 -1.743 12.497 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.719 11.802 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.041 13.017 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.976 11.870 0.034 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.503 11.247 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.967 9.954 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.970 11.681 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.043 10.520 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.076 8.919 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.015 9.481 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.538 9.903 -2.239 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.519 14.167 -0.098 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.815 15.496 0.392 1.00 0.00 C ATOM 1007 C GLN A 70 -2.762 15.890 1.424 1.00 0.00 C ATOM 1008 O GLN A 70 -2.519 15.148 2.373 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.227 15.522 0.988 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.699 16.899 1.432 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.806 17.889 0.291 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -6.053 17.520 -0.859 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.636 19.159 0.607 1.00 0.00 N ATOM 0 H GLN A 70 -3.462 13.452 0.627 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.785 16.218 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.927 15.133 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.259 14.847 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.672 16.804 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.008 17.289 2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.433 19.422 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.708 19.878 -0.113 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.092 17.037 1.223 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.990 17.484 2.089 1.00 0.00 C ATOM 1024 C PRO A 71 -1.439 17.802 3.517 1.00 0.00 C ATOM 1025 O PRO A 71 -2.452 18.472 3.728 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.480 18.742 1.393 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.629 19.228 0.583 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.354 17.994 0.133 1.00 0.00 C ATOM 0 HA PRO A 71 -0.235 16.707 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.163 19.492 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.382 18.522 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.280 19.872 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.287 19.815 -0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.421 18.177 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.976 17.630 -0.823 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.679 17.308 4.490 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.008 17.529 5.885 1.00 0.00 C ATOM 1038 C GLY A 72 -2.048 16.546 6.383 1.00 0.00 C ATOM 1039 O GLY A 72 -2.909 16.894 7.195 1.00 0.00 O ATOM 0 H GLY A 72 0.164 16.755 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.105 17.440 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.379 18.546 6.014 1.00 0.00 H new ATOM 1043 N VAL A 73 -1.978 15.318 5.886 1.00 0.00 N ATOM 1044 CA VAL A 73 -2.970 14.300 6.206 1.00 0.00 C ATOM 1045 C VAL A 73 -2.307 12.958 6.477 1.00 0.00 C ATOM 1046 O VAL A 73 -1.256 12.647 5.920 1.00 0.00 O ATOM 1047 CB VAL A 73 -3.982 14.146 5.053 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.074 13.164 5.387 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.625 15.458 4.698 1.00 0.00 C ATOM 0 H VAL A 73 -1.240 15.002 5.256 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.495 14.623 7.105 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.408 13.775 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.764 13.087 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.635 12.186 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.614 13.507 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.331 15.308 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.153 15.851 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.858 16.167 4.388 1.00 0.00 H new ATOM 1059 N GLN A 74 -2.936 12.166 7.331 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.430 10.869 7.698 1.00 0.00 C ATOM 1061 C GLN A 74 -2.940 9.830 6.713 1.00 0.00 C ATOM 1062 O GLN A 74 -4.139 9.543 6.663 1.00 0.00 O ATOM 1063 CB GLN A 74 -2.905 10.544 9.102 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.517 9.152 9.572 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.132 9.105 10.191 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -0.979 9.263 11.401 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.111 8.902 9.370 1.00 0.00 N ATOM 0 H GLN A 74 -3.815 12.413 7.786 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.340 10.866 7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.494 11.279 9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.990 10.641 9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.248 8.803 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.556 8.464 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.277 8.775 8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.840 8.873 9.737 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.034 9.294 5.919 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.392 8.326 4.905 1.00 0.00 C ATOM 1078 C TYR A 75 -2.061 6.912 5.333 1.00 0.00 C ATOM 1079 O TYR A 75 -0.924 6.599 5.674 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.704 8.660 3.587 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.603 9.449 2.671 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.789 10.814 2.847 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.297 8.818 1.649 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.639 11.526 2.028 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.144 9.523 0.822 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.314 10.875 1.017 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.165 11.578 0.199 1.00 0.00 O ATOM 0 H TYR A 75 -1.039 9.515 5.958 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.472 8.380 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.796 9.230 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.400 7.738 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.260 11.325 3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.171 7.756 1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.775 12.587 2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.671 9.018 0.026 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.448 11.008 -0.546 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.076 6.074 5.327 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.917 4.667 5.625 1.00 0.00 C ATOM 1099 C ASN A 76 -2.718 3.900 4.324 1.00 0.00 C ATOM 1100 O ASN A 76 -3.654 3.771 3.524 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.155 4.135 6.356 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.453 4.879 7.647 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.546 5.323 8.353 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -5.732 5.038 7.955 1.00 0.00 N ATOM 0 H ASN A 76 -4.035 6.350 5.115 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.048 4.532 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.019 4.207 5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.011 3.078 6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.994 5.543 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.455 4.656 7.345 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.496 3.442 4.093 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.186 2.637 2.921 1.00 0.00 C ATOM 1113 C ILE A 77 -1.318 1.172 3.260 1.00 0.00 C ATOM 1114 O ILE A 77 -0.628 0.656 4.137 1.00 0.00 O ATOM 1115 CB ILE A 77 0.239 2.887 2.377 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.440 4.332 1.953 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.557 1.980 1.198 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.876 5.258 3.068 1.00 0.00 C ATOM 0 H ILE A 77 -0.699 3.616 4.706 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.896 2.929 2.147 1.00 0.00 H new ATOM 0 HB ILE A 77 0.918 2.661 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.186 4.364 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.492 4.707 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.567 2.185 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.487 0.938 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.155 2.166 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.995 6.268 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.122 5.261 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.826 4.913 3.477 1.00 0.00 H new ATOM 1130 N THR A 78 -2.218 0.517 2.575 1.00 0.00 N ATOM 1131 CA THR A 78 -2.448 -0.877 2.782 1.00 0.00 C ATOM 1132 C THR A 78 -1.961 -1.680 1.577 1.00 0.00 C ATOM 1133 O THR A 78 -2.486 -1.521 0.464 1.00 0.00 O ATOM 1134 CB THR A 78 -3.941 -1.114 3.009 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.410 -0.252 4.056 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.220 -2.563 3.373 1.00 0.00 C ATOM 0 H THR A 78 -2.809 0.940 1.859 1.00 0.00 H new ATOM 0 HA THR A 78 -1.893 -1.207 3.660 1.00 0.00 H new ATOM 0 HB THR A 78 -4.468 -0.891 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.368 -0.403 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.290 -2.700 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.885 -3.212 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.685 -2.818 4.288 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.957 -2.532 1.793 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.420 -3.354 0.703 1.00 0.00 C ATOM 1146 C ILE A 79 -1.087 -4.725 0.728 1.00 0.00 C ATOM 1147 O ILE A 79 -1.171 -5.365 1.770 1.00 0.00 O ATOM 1148 CB ILE A 79 1.124 -3.588 0.749 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.954 -2.329 0.979 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.605 -4.201 -0.541 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.573 -1.149 0.129 1.00 0.00 C ATOM 0 H ILE A 79 -0.504 -2.671 2.696 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.633 -2.791 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 79 1.269 -4.249 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.870 -2.044 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.002 -2.565 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.683 -4.357 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.107 -5.158 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.374 -3.532 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.220 -0.305 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.686 -1.407 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.536 -0.878 0.327 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.564 -5.159 -0.415 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.185 -6.462 -0.548 1.00 0.00 C ATOM 1165 C TYR A 80 -1.381 -7.313 -1.514 1.00 0.00 C ATOM 1166 O TYR A 80 -1.339 -7.018 -2.711 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.612 -6.340 -1.102 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.527 -5.414 -0.332 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.624 -4.063 -0.658 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.316 -5.898 0.703 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.479 -3.229 0.031 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.177 -5.067 1.390 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.255 -3.734 1.050 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.114 -2.901 1.730 1.00 0.00 O ATOM 0 H TYR A 80 -1.534 -4.621 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.217 -6.918 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.555 -5.993 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.062 -7.333 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.022 -3.664 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.255 -6.941 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.540 -2.182 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.787 -5.459 2.190 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.590 -3.412 2.418 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.746 -8.355 -1.013 1.00 0.00 N ATOM 1185 CA ALA A 81 -0.148 -9.337 -1.894 1.00 0.00 C ATOM 1186 C ALA A 81 -1.238 -10.291 -2.314 1.00 0.00 C ATOM 1187 O ALA A 81 -1.983 -10.790 -1.475 1.00 0.00 O ATOM 1188 CB ALA A 81 1.013 -10.080 -1.216 1.00 0.00 C ATOM 0 H ALA A 81 -0.632 -8.541 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 81 0.281 -8.842 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.434 -10.807 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.784 -9.365 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.646 -10.596 -0.328 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.381 -10.489 -3.608 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.447 -11.348 -4.104 1.00 0.00 C ATOM 1196 C VAL A 82 -1.879 -12.540 -4.833 1.00 0.00 C ATOM 1197 O VAL A 82 -0.953 -12.395 -5.618 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.444 -10.595 -5.021 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.755 -9.915 -6.183 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.513 -11.542 -5.540 1.00 0.00 C ATOM 0 H VAL A 82 -0.787 -10.077 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.001 -11.688 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.909 -9.820 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.496 -9.402 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.033 -9.192 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.239 -10.661 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.203 -10.995 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.043 -12.343 -6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.060 -11.969 -4.699 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.434 -13.711 -4.562 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.985 -14.934 -5.188 1.00 0.00 C ATOM 1212 C GLU A 83 -3.086 -15.471 -6.094 1.00 0.00 C ATOM 1213 O GLU A 83 -4.208 -14.962 -6.077 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.580 -15.998 -4.162 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.864 -15.471 -2.943 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.782 -14.798 -1.951 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.594 -15.501 -1.331 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.695 -13.565 -1.795 1.00 0.00 O ATOM 0 H GLU A 83 -3.204 -13.835 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.096 -14.702 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.476 -16.527 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.938 -16.729 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.349 -16.295 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.100 -14.761 -3.259 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.742 -16.480 -6.891 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.626 -17.045 -7.918 1.00 0.00 C ATOM 1227 C GLU A 84 -5.087 -17.130 -7.476 1.00 0.00 C ATOM 1228 O GLU A 84 -5.977 -16.644 -8.174 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.140 -18.441 -8.305 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.674 -18.485 -8.698 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.217 -19.875 -9.072 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.204 -20.756 -8.187 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.856 -20.092 -10.246 1.00 0.00 O ATOM 0 H GLU A 84 -1.831 -16.937 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.585 -16.367 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.304 -19.119 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.742 -18.809 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.506 -17.812 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.068 -18.117 -7.870 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.332 -17.741 -6.327 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.699 -17.945 -5.863 1.00 0.00 C ATOM 1242 C ASN A 85 -6.851 -17.500 -4.409 1.00 0.00 C ATOM 1243 O ASN A 85 -7.820 -17.860 -3.739 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.076 -19.426 -6.001 1.00 0.00 C ATOM 1245 CG ASN A 85 -8.557 -19.661 -6.273 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -8.927 -20.654 -6.897 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -9.414 -18.764 -5.814 1.00 0.00 N ATOM 0 H ASN A 85 -4.611 -18.102 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.368 -17.342 -6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.493 -19.866 -6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.797 -19.949 -5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.414 -18.885 -5.974 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.075 -17.951 -5.300 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.904 -16.706 -3.922 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.912 -16.286 -2.525 1.00 0.00 C ATOM 1256 C GLN A 86 -5.450 -14.841 -2.389 1.00 0.00 C ATOM 1257 O GLN A 86 -5.036 -14.215 -3.369 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.002 -17.191 -1.686 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.486 -18.626 -1.539 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.709 -18.751 -0.649 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -7.547 -17.853 -0.580 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -6.813 -19.867 0.049 1.00 0.00 N ATOM 0 H GLN A 86 -5.125 -16.342 -4.470 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.936 -16.366 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.010 -17.202 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.896 -16.755 -0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.718 -19.028 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.681 -19.235 -1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.098 -20.589 -0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.609 -20.007 0.672 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.548 -14.318 -1.175 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.053 -12.987 -0.854 1.00 0.00 C ATOM 1273 C GLU A 87 -4.306 -13.045 0.472 1.00 0.00 C ATOM 1274 O GLU A 87 -4.851 -13.513 1.476 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.209 -11.991 -0.727 1.00 0.00 C ATOM 1276 CG GLU A 87 -7.201 -12.035 -1.876 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.512 -11.368 -1.523 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -9.395 -12.045 -0.957 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.670 -10.167 -1.805 1.00 0.00 O ATOM 0 H GLU A 87 -5.973 -14.804 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.392 -12.657 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.741 -12.186 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.799 -10.984 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.768 -11.543 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.386 -13.072 -2.155 1.00 0.00 H new ATOM 1286 N SER A 88 -3.069 -12.586 0.475 1.00 0.00 N ATOM 1287 CA SER A 88 -2.263 -12.567 1.684 1.00 0.00 C ATOM 1288 C SER A 88 -2.738 -11.475 2.645 1.00 0.00 C ATOM 1289 O SER A 88 -3.573 -10.639 2.287 1.00 0.00 O ATOM 1290 CB SER A 88 -0.797 -12.350 1.321 1.00 0.00 C ATOM 1291 OG SER A 88 -0.337 -13.360 0.442 1.00 0.00 O ATOM 0 H SER A 88 -2.597 -12.219 -0.351 1.00 0.00 H new ATOM 0 HA SER A 88 -2.372 -13.528 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.675 -11.373 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.191 -12.348 2.227 1.00 0.00 H new ATOM 0 HG SER A 88 -0.593 -13.135 -0.477 1.00 0.00 H new ATOM 1297 N THR A 89 -2.205 -11.489 3.863 1.00 0.00 N ATOM 1298 CA THR A 89 -2.552 -10.495 4.868 1.00 0.00 C ATOM 1299 C THR A 89 -2.146 -9.089 4.416 1.00 0.00 C ATOM 1300 O THR A 89 -1.239 -8.923 3.601 1.00 0.00 O ATOM 1301 CB THR A 89 -1.894 -10.836 6.221 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.563 -11.332 6.014 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.715 -11.873 6.974 1.00 0.00 C ATOM 0 H THR A 89 -1.527 -12.183 4.177 1.00 0.00 H new ATOM 0 HA THR A 89 -3.635 -10.511 4.994 1.00 0.00 H new ATOM 0 HB THR A 89 -1.850 -9.924 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.154 -11.544 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.232 -12.098 7.925 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.715 -11.481 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.786 -12.783 6.378 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.841 -8.058 4.905 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.587 -6.680 4.502 1.00 0.00 C ATOM 1313 C PRO A 90 -1.483 -5.980 5.302 1.00 0.00 C ATOM 1314 O PRO A 90 -1.355 -6.154 6.516 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.933 -6.012 4.764 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.503 -6.751 5.928 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.966 -8.156 5.854 1.00 0.00 C ATOM 0 HA PRO A 90 -2.230 -6.627 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.812 -4.952 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.585 -6.081 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.216 -6.276 6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.592 -6.751 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.635 -8.509 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.725 -8.855 5.503 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.693 -5.192 4.588 1.00 0.00 N ATOM 1326 CA VAL A 91 0.232 -4.237 5.174 1.00 0.00 C ATOM 1327 C VAL A 91 -0.529 -2.981 5.520 1.00 0.00 C ATOM 1328 O VAL A 91 -1.203 -2.440 4.651 1.00 0.00 O ATOM 1329 CB VAL A 91 1.288 -3.799 4.154 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.964 -2.524 4.629 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.307 -4.889 3.894 1.00 0.00 C ATOM 0 H VAL A 91 -0.677 -5.199 3.568 1.00 0.00 H new ATOM 0 HA VAL A 91 0.697 -4.711 6.038 1.00 0.00 H new ATOM 0 HB VAL A 91 0.785 -3.604 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.714 -2.217 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.219 -1.736 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.445 -2.704 5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.038 -4.538 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.815 -5.141 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.803 -5.773 3.505 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.432 -2.508 6.747 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.980 -1.205 7.065 1.00 0.00 C ATOM 1343 C VAL A 92 0.117 -0.301 7.611 1.00 0.00 C ATOM 1344 O VAL A 92 0.590 -0.487 8.734 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.145 -1.282 8.073 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.859 0.059 8.142 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.121 -2.389 7.701 1.00 0.00 C ATOM 0 H VAL A 92 0.012 -2.995 7.526 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.381 -0.790 6.140 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.735 -1.517 9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.681 -0.003 8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.157 0.829 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.252 0.313 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.931 -2.419 8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.531 -2.195 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.601 -3.347 7.697 1.00 0.00 H new ATOM 1357 N ILE A 93 0.536 0.654 6.797 1.00 0.00 N ATOM 1358 CA ILE A 93 1.554 1.616 7.194 1.00 0.00 C ATOM 1359 C ILE A 93 1.015 3.032 7.067 1.00 0.00 C ATOM 1360 O ILE A 93 0.668 3.480 5.975 1.00 0.00 O ATOM 1361 CB ILE A 93 2.849 1.476 6.355 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.534 1.362 4.868 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.649 0.273 6.822 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.721 1.668 3.994 1.00 0.00 C ATOM 0 H ILE A 93 0.184 0.785 5.849 1.00 0.00 H new ATOM 0 HA ILE A 93 1.806 1.407 8.234 1.00 0.00 H new ATOM 0 HB ILE A 93 3.446 2.376 6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.181 0.354 4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.721 2.044 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.557 0.185 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.916 0.399 7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.050 -0.630 6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.436 1.571 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.060 2.686 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.527 0.969 4.217 1.00 0.00 H new ATOM 1376 N GLN A 94 0.924 3.732 8.182 1.00 0.00 N ATOM 1377 CA GLN A 94 0.382 5.076 8.173 1.00 0.00 C ATOM 1378 C GLN A 94 1.497 6.113 8.195 1.00 0.00 C ATOM 1379 O GLN A 94 2.378 6.096 9.057 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.587 5.288 9.338 1.00 0.00 C ATOM 1381 CG GLN A 94 0.007 4.996 10.708 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.933 5.347 11.849 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.235 5.238 11.615 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 -0.490 5.714 12.938 1.00 0.00 N flip ATOM 0 H GLN A 94 1.216 3.395 9.099 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.178 5.204 7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.938 6.320 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.459 4.651 9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.264 3.939 10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.935 5.557 10.823 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.517 5.786 13.081 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.131 5.946 13.697 1.00 0.00 H new ATOM 1393 N GLN A 95 1.460 6.995 7.218 1.00 0.00 N ATOM 1394 CA GLN A 95 2.426 8.066 7.099 1.00 0.00 C ATOM 1395 C GLN A 95 1.700 9.366 6.789 1.00 0.00 C ATOM 1396 O GLN A 95 0.820 9.393 5.932 1.00 0.00 O ATOM 1397 CB GLN A 95 3.420 7.744 5.983 1.00 0.00 C ATOM 1398 CG GLN A 95 4.875 7.689 6.434 1.00 0.00 C ATOM 1399 CD GLN A 95 5.368 8.979 7.065 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.796 10.105 6.669 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.255 8.962 7.917 1.00 0.00 N flip ATOM 0 H GLN A 95 0.755 6.989 6.481 1.00 0.00 H new ATOM 0 HA GLN A 95 2.971 8.172 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.153 6.784 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.323 8.495 5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.994 6.876 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.503 7.452 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.674 8.076 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.571 9.834 8.342 1.00 0.00 H new ATOM 1410 N GLU A 96 2.057 10.436 7.477 1.00 0.00 N ATOM 1411 CA GLU A 96 1.442 11.727 7.220 1.00 0.00 C ATOM 1412 C GLU A 96 2.150 12.420 6.077 1.00 0.00 C ATOM 1413 O GLU A 96 3.378 12.403 5.989 1.00 0.00 O ATOM 1414 CB GLU A 96 1.493 12.636 8.446 1.00 0.00 C ATOM 1415 CG GLU A 96 0.643 12.175 9.613 1.00 0.00 C ATOM 1416 CD GLU A 96 0.638 13.189 10.734 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.672 13.331 11.415 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -0.389 13.878 10.918 1.00 0.00 O ATOM 0 H GLU A 96 2.764 10.438 8.212 1.00 0.00 H new ATOM 0 HA GLU A 96 0.398 11.541 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.528 12.717 8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.172 13.636 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.378 12.002 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.021 11.223 9.985 1.00 0.00 H new ATOM 1425 N THR A 97 1.374 13.011 5.197 1.00 0.00 N ATOM 1426 CA THR A 97 1.925 13.775 4.108 1.00 0.00 C ATOM 1427 C THR A 97 2.525 15.067 4.638 1.00 0.00 C ATOM 1428 O THR A 97 1.814 15.938 5.138 1.00 0.00 O ATOM 1429 CB THR A 97 0.852 14.093 3.056 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.299 14.653 3.695 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.445 12.841 2.296 1.00 0.00 C ATOM 0 H THR A 97 0.355 12.975 5.217 1.00 0.00 H new ATOM 0 HA THR A 97 2.703 13.178 3.632 1.00 0.00 H new ATOM 0 HB THR A 97 1.271 14.809 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.012 14.777 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.316 13.095 1.558 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.316 12.423 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.043 12.106 2.994 1.00 0.00 H new ATOM 1439 N THR A 98 3.837 15.172 4.541 1.00 0.00 N ATOM 1440 CA THR A 98 4.545 16.348 5.021 1.00 0.00 C ATOM 1441 C THR A 98 4.215 17.537 4.139 1.00 0.00 C ATOM 1442 O THR A 98 4.221 18.689 4.573 1.00 0.00 O ATOM 1443 CB THR A 98 6.063 16.108 5.013 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.365 14.909 5.739 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.816 17.279 5.629 1.00 0.00 C ATOM 0 H THR A 98 4.437 14.455 4.133 1.00 0.00 H new ATOM 0 HA THR A 98 4.229 16.550 6.044 1.00 0.00 H new ATOM 0 HB THR A 98 6.383 16.007 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.333 14.757 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.887 17.075 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.607 18.185 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.494 17.416 6.661 1.00 0.00 H new