USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 ASN : amide:sc= 0.891 K(o=1,f=-0.64) USER MOD Set 1.2: A 86 GLN : amide:sc= 0.135 K(o=1,f=-4.8!) USER MOD Set 2.1: A 74 GLN : amide:sc= -3.05! X(o=-3.6!,f=-3.8) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.545 K(o=-3.6,f=-4.9!) USER MOD Set 3.1: A 62 ASN : amide:sc= 0.0422 K(o=0.12,f=-2.6!) USER MOD Set 3.2: A 63 SER OG : rot -74:sc= 0.0769 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00673 K(o=-0.0067,f=-0.92) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -7:sc= 0.949 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 40 TYR OH : rot -100:sc= -4.69! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.5! USER MOD Single : A 45 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 52 SER OG : rot -19:sc= 0.273 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0929 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 60 THR OG1 : rot -38:sc= 0.854 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.1) USER MOD Single : A 75 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 SER OG : rot -160:sc= -0.136 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.158 F(o=-1.4,f=-0.16) USER MOD Single : A 97 THR OG1 : rot -176:sc= 2.14 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.210 -11.590 4.330 1.00 0.00 N ATOM 142 CA ALA A 12 2.258 -10.228 3.843 1.00 0.00 C ATOM 143 C ALA A 12 3.670 -9.691 3.995 1.00 0.00 C ATOM 144 O ALA A 12 4.435 -10.185 4.826 1.00 0.00 O ATOM 145 CB ALA A 12 1.285 -9.365 4.622 1.00 0.00 C ATOM 0 HA ALA A 12 1.976 -10.208 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.327 -8.342 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.274 -9.754 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.553 -9.378 5.679 1.00 0.00 H new ATOM 151 N PRO A 13 4.051 -8.694 3.190 1.00 0.00 N ATOM 152 CA PRO A 13 5.346 -8.037 3.332 1.00 0.00 C ATOM 153 C PRO A 13 5.482 -7.342 4.680 1.00 0.00 C ATOM 154 O PRO A 13 4.596 -6.581 5.081 1.00 0.00 O ATOM 155 CB PRO A 13 5.349 -6.997 2.210 1.00 0.00 C ATOM 156 CG PRO A 13 4.332 -7.477 1.240 1.00 0.00 C ATOM 157 CD PRO A 13 3.275 -8.134 2.071 1.00 0.00 C ATOM 0 HA PRO A 13 6.171 -8.747 3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.097 -6.007 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.332 -6.920 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.920 -6.651 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.767 -8.179 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.526 -7.420 2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.746 -8.909 1.516 1.00 0.00 H new ATOM 165 N PRO A 14 6.571 -7.621 5.412 1.00 0.00 N ATOM 166 CA PRO A 14 6.889 -6.902 6.642 1.00 0.00 C ATOM 167 C PRO A 14 6.891 -5.413 6.399 1.00 0.00 C ATOM 168 O PRO A 14 7.420 -4.953 5.381 1.00 0.00 O ATOM 169 CB PRO A 14 8.286 -7.405 7.009 1.00 0.00 C ATOM 170 CG PRO A 14 8.394 -8.741 6.359 1.00 0.00 C ATOM 171 CD PRO A 14 7.561 -8.667 5.108 1.00 0.00 C ATOM 0 HA PRO A 14 6.164 -7.074 7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.058 -6.726 6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.408 -7.480 8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.432 -8.976 6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.032 -9.527 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.165 -8.407 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.082 -9.621 4.889 1.00 0.00 H new ATOM 179 N ASP A 15 6.318 -4.691 7.367 1.00 0.00 N ATOM 180 CA ASP A 15 5.861 -3.311 7.186 1.00 0.00 C ATOM 181 C ASP A 15 6.778 -2.511 6.277 1.00 0.00 C ATOM 182 O ASP A 15 7.862 -2.094 6.687 1.00 0.00 O ATOM 183 CB ASP A 15 5.763 -2.612 8.546 1.00 0.00 C ATOM 184 CG ASP A 15 4.842 -3.334 9.506 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.611 -3.154 9.412 1.00 0.00 O ATOM 186 OD2 ASP A 15 5.346 -4.098 10.360 1.00 0.00 O ATOM 0 H ASP A 15 6.157 -5.052 8.307 1.00 0.00 H new ATOM 0 HA ASP A 15 4.881 -3.358 6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.758 -2.541 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.405 -1.593 8.402 1.00 0.00 H new ATOM 191 N PRO A 16 6.353 -2.311 5.014 1.00 0.00 N ATOM 192 CA PRO A 16 7.028 -1.440 4.056 1.00 0.00 C ATOM 193 C PRO A 16 7.410 -0.081 4.623 1.00 0.00 C ATOM 194 O PRO A 16 6.705 0.494 5.453 1.00 0.00 O ATOM 195 CB PRO A 16 5.993 -1.268 2.927 1.00 0.00 C ATOM 196 CG PRO A 16 4.762 -1.942 3.416 1.00 0.00 C ATOM 197 CD PRO A 16 5.240 -3.002 4.356 1.00 0.00 C ATOM 0 HA PRO A 16 7.974 -1.878 3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.808 -0.214 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.345 -1.718 1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.102 -1.237 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.196 -2.374 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.468 -3.305 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.565 -3.901 3.833 1.00 0.00 H new ATOM 205 N THR A 17 8.528 0.428 4.149 1.00 0.00 N ATOM 206 CA THR A 17 9.029 1.713 4.584 1.00 0.00 C ATOM 207 C THR A 17 8.774 2.763 3.528 1.00 0.00 C ATOM 208 O THR A 17 9.042 2.563 2.342 1.00 0.00 O ATOM 209 CB THR A 17 10.535 1.639 4.893 1.00 0.00 C ATOM 210 OG1 THR A 17 10.806 0.487 5.704 1.00 0.00 O ATOM 211 CG2 THR A 17 11.006 2.889 5.620 1.00 0.00 C ATOM 0 H THR A 17 9.113 -0.036 3.454 1.00 0.00 H new ATOM 0 HA THR A 17 8.500 1.989 5.496 1.00 0.00 H new ATOM 0 HB THR A 17 11.073 1.564 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.766 0.442 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.073 2.810 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.821 3.764 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.462 2.990 6.559 1.00 0.00 H new ATOM 219 N VAL A 18 8.203 3.857 3.976 1.00 0.00 N ATOM 220 CA VAL A 18 7.987 5.016 3.124 1.00 0.00 C ATOM 221 C VAL A 18 9.284 5.813 2.987 1.00 0.00 C ATOM 222 O VAL A 18 9.865 6.257 3.978 1.00 0.00 O ATOM 223 CB VAL A 18 6.865 5.926 3.667 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.739 7.190 2.821 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.539 5.178 3.714 1.00 0.00 C ATOM 0 H VAL A 18 7.875 3.974 4.935 1.00 0.00 H new ATOM 0 HA VAL A 18 7.675 4.653 2.145 1.00 0.00 H new ATOM 0 HB VAL A 18 7.128 6.219 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.942 7.818 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.680 7.739 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.504 6.917 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.762 5.838 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.271 4.850 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.634 4.310 4.366 1.00 0.00 H new ATOM 235 N ASP A 19 9.732 5.975 1.751 1.00 0.00 N ATOM 236 CA ASP A 19 11.009 6.619 1.465 1.00 0.00 C ATOM 237 C ASP A 19 10.859 8.135 1.378 1.00 0.00 C ATOM 238 O ASP A 19 11.674 8.880 1.921 1.00 0.00 O ATOM 239 CB ASP A 19 11.585 6.071 0.158 1.00 0.00 C ATOM 240 CG ASP A 19 12.912 6.706 -0.205 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.939 6.340 0.402 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.937 7.561 -1.111 1.00 0.00 O ATOM 0 H ASP A 19 9.225 5.666 0.921 1.00 0.00 H new ATOM 0 HA ASP A 19 11.693 6.397 2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.715 4.992 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.872 6.241 -0.649 1.00 0.00 H new ATOM 247 N GLN A 20 9.806 8.587 0.711 1.00 0.00 N ATOM 248 CA GLN A 20 9.561 10.016 0.545 1.00 0.00 C ATOM 249 C GLN A 20 8.103 10.350 0.788 1.00 0.00 C ATOM 250 O GLN A 20 7.206 9.609 0.377 1.00 0.00 O ATOM 251 CB GLN A 20 9.965 10.488 -0.854 1.00 0.00 C ATOM 252 CG GLN A 20 11.467 10.610 -1.053 1.00 0.00 C ATOM 253 CD GLN A 20 11.823 11.200 -2.402 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.065 11.986 -2.971 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.987 10.845 -2.913 1.00 0.00 N ATOM 0 H GLN A 20 9.107 7.986 0.275 1.00 0.00 H new ATOM 0 HA GLN A 20 10.173 10.535 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.566 9.791 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.503 11.456 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.886 11.234 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.925 9.625 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.587 10.191 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.287 11.225 -3.811 1.00 0.00 H new ATOM 264 N VAL A 21 7.881 11.464 1.468 1.00 0.00 N ATOM 265 CA VAL A 21 6.540 11.931 1.775 1.00 0.00 C ATOM 266 C VAL A 21 6.380 13.395 1.363 1.00 0.00 C ATOM 267 O VAL A 21 6.985 14.285 1.961 1.00 0.00 O ATOM 268 CB VAL A 21 6.226 11.799 3.280 1.00 0.00 C ATOM 269 CG1 VAL A 21 4.785 12.178 3.565 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.513 10.394 3.781 1.00 0.00 C ATOM 0 H VAL A 21 8.623 12.068 1.821 1.00 0.00 H new ATOM 0 HA VAL A 21 5.843 11.308 1.215 1.00 0.00 H new ATOM 0 HB VAL A 21 6.878 12.489 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.587 12.077 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.613 13.210 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.119 11.519 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.282 10.333 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.897 9.680 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.566 10.160 3.624 1.00 0.00 H new ATOM 280 N ASP A 22 5.567 13.638 0.344 1.00 0.00 N ATOM 281 CA ASP A 22 5.356 14.989 -0.167 1.00 0.00 C ATOM 282 C ASP A 22 3.889 15.389 0.022 1.00 0.00 C ATOM 283 O ASP A 22 3.210 14.834 0.889 1.00 0.00 O ATOM 284 CB ASP A 22 5.758 15.042 -1.647 1.00 0.00 C ATOM 285 CG ASP A 22 6.002 16.452 -2.144 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.097 16.997 -1.892 1.00 0.00 O ATOM 287 OD2 ASP A 22 5.099 17.022 -2.786 1.00 0.00 O ATOM 0 H ASP A 22 5.040 12.916 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 22 5.975 15.697 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.661 14.450 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.973 14.582 -2.248 1.00 0.00 H new ATOM 292 N ASP A 23 3.399 16.350 -0.760 1.00 0.00 N ATOM 293 CA ASP A 23 2.010 16.802 -0.641 1.00 0.00 C ATOM 294 C ASP A 23 1.067 15.777 -1.261 1.00 0.00 C ATOM 295 O ASP A 23 0.249 15.166 -0.575 1.00 0.00 O ATOM 296 CB ASP A 23 1.782 18.158 -1.335 1.00 0.00 C ATOM 297 CG ASP A 23 2.639 19.291 -0.806 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.787 19.441 -1.265 1.00 0.00 O ATOM 299 OD2 ASP A 23 2.162 20.059 0.055 1.00 0.00 O ATOM 0 H ASP A 23 3.939 16.830 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 23 1.804 16.916 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.975 18.042 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.733 18.434 -1.229 1.00 0.00 H new ATOM 304 N THR A 24 1.203 15.588 -2.568 1.00 0.00 N ATOM 305 CA THR A 24 0.308 14.723 -3.324 1.00 0.00 C ATOM 306 C THR A 24 1.041 13.477 -3.826 1.00 0.00 C ATOM 307 O THR A 24 0.772 12.990 -4.919 1.00 0.00 O ATOM 308 CB THR A 24 -0.291 15.485 -4.526 1.00 0.00 C ATOM 309 OG1 THR A 24 0.753 16.046 -5.335 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.212 16.598 -4.051 1.00 0.00 C ATOM 0 H THR A 24 1.932 16.027 -3.130 1.00 0.00 H new ATOM 0 HA THR A 24 -0.495 14.412 -2.656 1.00 0.00 H new ATOM 0 HB THR A 24 -0.866 14.775 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.358 16.524 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.624 17.123 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.025 16.172 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.648 17.299 -3.435 1.00 0.00 H new ATOM 318 N SER A 25 1.942 12.948 -3.005 1.00 0.00 N ATOM 319 CA SER A 25 2.829 11.852 -3.406 1.00 0.00 C ATOM 320 C SER A 25 3.549 11.263 -2.192 1.00 0.00 C ATOM 321 O SER A 25 4.092 11.997 -1.366 1.00 0.00 O ATOM 322 CB SER A 25 3.869 12.321 -4.437 1.00 0.00 C ATOM 323 OG SER A 25 3.253 12.732 -5.648 1.00 0.00 O ATOM 0 H SER A 25 2.081 13.263 -2.045 1.00 0.00 H new ATOM 0 HA SER A 25 2.205 11.084 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.446 13.147 -4.023 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.571 11.512 -4.641 1.00 0.00 H new ATOM 0 HG SER A 25 2.295 12.530 -5.613 1.00 0.00 H new ATOM 329 N ILE A 26 3.535 9.939 -2.089 1.00 0.00 N ATOM 330 CA ILE A 26 4.240 9.220 -1.017 1.00 0.00 C ATOM 331 C ILE A 26 4.721 7.878 -1.557 1.00 0.00 C ATOM 332 O ILE A 26 3.990 7.221 -2.275 1.00 0.00 O ATOM 333 CB ILE A 26 3.333 8.986 0.226 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.133 10.276 1.019 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.911 7.914 1.135 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.227 10.109 2.222 1.00 0.00 C ATOM 0 H ILE A 26 3.039 9.330 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 26 5.083 9.832 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 26 2.365 8.649 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.104 10.643 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.714 11.037 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.255 7.773 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.995 6.977 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.898 8.222 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.129 11.064 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.244 9.772 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.655 9.371 2.901 1.00 0.00 H new ATOM 348 N VAL A 27 5.933 7.459 -1.230 1.00 0.00 N ATOM 349 CA VAL A 27 6.464 6.239 -1.816 1.00 0.00 C ATOM 350 C VAL A 27 6.723 5.202 -0.745 1.00 0.00 C ATOM 351 O VAL A 27 7.338 5.509 0.269 1.00 0.00 O ATOM 352 CB VAL A 27 7.775 6.487 -2.569 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.216 5.207 -3.262 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.623 7.623 -3.569 1.00 0.00 C ATOM 0 H VAL A 27 6.556 7.933 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 27 5.713 5.880 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 27 8.542 6.783 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.149 5.386 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.368 4.425 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.447 4.892 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.568 7.778 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.848 7.370 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.344 8.536 -3.043 1.00 0.00 H new ATOM 364 N VAL A 28 6.280 3.975 -0.969 1.00 0.00 N ATOM 365 CA VAL A 28 6.447 2.937 0.028 1.00 0.00 C ATOM 366 C VAL A 28 7.108 1.706 -0.586 1.00 0.00 C ATOM 367 O VAL A 28 6.877 1.395 -1.757 1.00 0.00 O ATOM 368 CB VAL A 28 5.099 2.559 0.692 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.070 3.658 0.544 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.563 1.245 0.173 1.00 0.00 C ATOM 0 H VAL A 28 5.808 3.678 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 28 7.098 3.331 0.808 1.00 0.00 H new ATOM 0 HB VAL A 28 5.301 2.436 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.140 3.352 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.439 4.568 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.888 3.846 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.617 1.018 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.405 1.316 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.280 0.451 0.382 1.00 0.00 H new ATOM 380 N ARG A 29 7.925 1.019 0.213 1.00 0.00 N ATOM 381 CA ARG A 29 8.674 -0.159 -0.242 1.00 0.00 C ATOM 382 C ARG A 29 8.444 -1.332 0.697 1.00 0.00 C ATOM 383 O ARG A 29 8.800 -1.268 1.871 1.00 0.00 O ATOM 384 CB ARG A 29 10.179 0.134 -0.281 1.00 0.00 C ATOM 385 CG ARG A 29 10.586 1.321 -1.139 1.00 0.00 C ATOM 386 CD ARG A 29 12.090 1.537 -1.081 1.00 0.00 C ATOM 387 NE ARG A 29 12.538 2.600 -1.978 1.00 0.00 N ATOM 388 CZ ARG A 29 13.680 3.271 -1.826 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.476 3.010 -0.794 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.027 4.202 -2.704 1.00 0.00 N ATOM 0 H ARG A 29 8.088 1.260 1.191 1.00 0.00 H new ATOM 0 HA ARG A 29 8.319 -0.405 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.526 0.307 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.696 -0.753 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.278 1.153 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.071 2.218 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.379 1.782 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.597 0.608 -1.342 1.00 0.00 H new ATOM 0 HE ARG A 29 11.941 2.843 -2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.214 2.295 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.349 3.525 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.420 4.406 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.901 4.714 -2.586 1.00 0.00 H new ATOM 404 N TRP A 30 7.918 -2.417 0.153 1.00 0.00 N ATOM 405 CA TRP A 30 7.557 -3.596 0.946 1.00 0.00 C ATOM 406 C TRP A 30 8.438 -4.796 0.588 1.00 0.00 C ATOM 407 O TRP A 30 8.959 -4.883 -0.523 1.00 0.00 O ATOM 408 CB TRP A 30 6.070 -3.948 0.741 1.00 0.00 C ATOM 409 CG TRP A 30 5.688 -4.162 -0.685 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.862 -5.291 -1.408 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.036 -3.232 -1.545 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.399 -5.114 -2.684 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.871 -3.863 -2.788 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.580 -1.928 -1.387 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.271 -3.233 -3.866 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.978 -1.308 -2.458 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.827 -1.957 -3.677 1.00 0.00 C ATOM 0 H TRP A 30 7.727 -2.512 -0.844 1.00 0.00 H new ATOM 0 HA TRP A 30 7.722 -3.356 1.996 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.839 -4.850 1.307 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.457 -3.147 1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.303 -6.202 -1.033 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.442 -5.805 -3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.696 -1.413 -0.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.159 -3.732 -4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.616 -0.296 -2.349 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.347 -1.439 -4.494 1.00 0.00 H new ATOM 428 N SER A 31 8.597 -5.717 1.536 1.00 0.00 N ATOM 429 CA SER A 31 9.393 -6.919 1.314 1.00 0.00 C ATOM 430 C SER A 31 8.485 -8.119 1.033 1.00 0.00 C ATOM 431 O SER A 31 7.889 -8.692 1.942 1.00 0.00 O ATOM 432 CB SER A 31 10.289 -7.193 2.526 1.00 0.00 C ATOM 433 OG SER A 31 11.170 -8.276 2.277 1.00 0.00 O ATOM 0 H SER A 31 8.184 -5.652 2.466 1.00 0.00 H new ATOM 0 HA SER A 31 10.028 -6.760 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.865 -6.299 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.671 -7.416 3.396 1.00 0.00 H new ATOM 0 HG SER A 31 11.731 -8.429 3.066 1.00 0.00 H new ATOM 439 N ARG A 32 8.393 -8.472 -0.243 1.00 0.00 N ATOM 440 CA ARG A 32 7.492 -9.514 -0.741 1.00 0.00 C ATOM 441 C ARG A 32 7.656 -10.866 -0.017 1.00 0.00 C ATOM 442 O ARG A 32 8.686 -11.136 0.604 1.00 0.00 O ATOM 443 CB ARG A 32 7.725 -9.694 -2.244 1.00 0.00 C ATOM 444 CG ARG A 32 7.810 -8.382 -3.013 1.00 0.00 C ATOM 445 CD ARG A 32 9.223 -7.816 -3.042 1.00 0.00 C ATOM 446 NE ARG A 32 9.691 -7.583 -4.408 1.00 0.00 N ATOM 447 CZ ARG A 32 10.974 -7.622 -4.775 1.00 0.00 C ATOM 448 NH1 ARG A 32 11.920 -7.881 -3.883 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.308 -7.401 -6.040 1.00 0.00 N ATOM 0 H ARG A 32 8.951 -8.037 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 32 6.473 -9.184 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.648 -10.254 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.916 -10.296 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.464 -8.540 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.139 -7.653 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.250 -6.880 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.901 -8.506 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 32 8.994 -7.378 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.670 -8.052 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.898 -7.909 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.585 -7.202 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.288 -7.431 -6.321 1.00 0.00 H new ATOM 463 N PRO A 33 6.624 -11.737 -0.116 1.00 0.00 N ATOM 464 CA PRO A 33 6.555 -13.027 0.576 1.00 0.00 C ATOM 465 C PRO A 33 7.264 -14.147 -0.178 1.00 0.00 C ATOM 466 O PRO A 33 7.645 -13.994 -1.341 1.00 0.00 O ATOM 467 CB PRO A 33 5.041 -13.328 0.616 1.00 0.00 C ATOM 468 CG PRO A 33 4.370 -12.187 -0.079 1.00 0.00 C ATOM 469 CD PRO A 33 5.423 -11.545 -0.921 1.00 0.00 C ATOM 0 HA PRO A 33 7.040 -12.976 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.819 -14.272 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.689 -13.419 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.539 -12.537 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.959 -11.479 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.508 -12.020 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.216 -10.489 -1.097 1.00 0.00 H new ATOM 477 N GLN A 34 7.422 -15.278 0.500 1.00 0.00 N ATOM 478 CA GLN A 34 7.947 -16.486 -0.119 1.00 0.00 C ATOM 479 C GLN A 34 6.842 -17.177 -0.911 1.00 0.00 C ATOM 480 O GLN A 34 7.105 -17.960 -1.824 1.00 0.00 O ATOM 481 CB GLN A 34 8.491 -17.432 0.951 1.00 0.00 C ATOM 482 CG GLN A 34 9.038 -18.741 0.401 1.00 0.00 C ATOM 483 CD GLN A 34 9.318 -19.758 1.487 1.00 0.00 C ATOM 484 OE1 GLN A 34 9.627 -19.403 2.622 1.00 0.00 O ATOM 485 NE2 GLN A 34 9.206 -21.033 1.151 1.00 0.00 N ATOM 0 H GLN A 34 7.191 -15.382 1.488 1.00 0.00 H new ATOM 0 HA GLN A 34 8.759 -16.216 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.281 -16.923 1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.696 -17.653 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.324 -19.160 -0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.956 -18.543 -0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.947 -21.288 0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.378 -21.760 1.845 1.00 0.00 H new ATOM 494 N ALA A 35 5.603 -16.874 -0.541 1.00 0.00 N ATOM 495 CA ALA A 35 4.430 -17.430 -1.196 1.00 0.00 C ATOM 496 C ALA A 35 4.416 -17.091 -2.676 1.00 0.00 C ATOM 497 O ALA A 35 4.728 -15.959 -3.055 1.00 0.00 O ATOM 498 CB ALA A 35 3.173 -16.883 -0.545 1.00 0.00 C ATOM 0 H ALA A 35 5.386 -16.234 0.223 1.00 0.00 H new ATOM 0 HA ALA A 35 4.465 -18.514 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.296 -17.302 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.161 -17.157 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.158 -15.797 -0.638 1.00 0.00 H new ATOM 504 N PRO A 36 4.080 -18.059 -3.542 1.00 0.00 N ATOM 505 CA PRO A 36 3.880 -17.774 -4.954 1.00 0.00 C ATOM 506 C PRO A 36 2.660 -16.888 -5.130 1.00 0.00 C ATOM 507 O PRO A 36 1.531 -17.313 -4.895 1.00 0.00 O ATOM 508 CB PRO A 36 3.639 -19.153 -5.584 1.00 0.00 C ATOM 509 CG PRO A 36 4.069 -20.144 -4.555 1.00 0.00 C ATOM 510 CD PRO A 36 3.873 -19.476 -3.225 1.00 0.00 C ATOM 0 HA PRO A 36 4.722 -17.252 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.589 -19.288 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.212 -19.269 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.478 -21.057 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.112 -20.427 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.877 -19.660 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.587 -19.833 -2.483 1.00 0.00 H new ATOM 518 N ILE A 37 2.891 -15.670 -5.574 1.00 0.00 N ATOM 519 CA ILE A 37 1.839 -14.676 -5.658 1.00 0.00 C ATOM 520 C ILE A 37 1.733 -14.152 -7.090 1.00 0.00 C ATOM 521 O ILE A 37 2.684 -14.265 -7.866 1.00 0.00 O ATOM 522 CB ILE A 37 2.112 -13.508 -4.674 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.432 -12.827 -5.011 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.114 -13.990 -3.214 1.00 0.00 C ATOM 525 CD1 ILE A 37 3.901 -11.884 -3.934 1.00 0.00 C ATOM 0 H ILE A 37 3.805 -15.342 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 37 0.894 -15.142 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 37 1.304 -12.785 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.195 -13.588 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.322 -12.276 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.308 -13.146 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.144 -14.424 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.891 -14.742 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.846 -11.431 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.155 -11.103 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.042 -12.435 -3.004 1.00 0.00 H new ATOM 537 N THR A 38 0.573 -13.615 -7.443 1.00 0.00 N ATOM 538 CA THR A 38 0.319 -13.146 -8.800 1.00 0.00 C ATOM 539 C THR A 38 0.435 -11.630 -8.949 1.00 0.00 C ATOM 540 O THR A 38 0.745 -11.139 -10.035 1.00 0.00 O ATOM 541 CB THR A 38 -1.063 -13.593 -9.291 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.055 -13.320 -8.296 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.051 -15.063 -9.625 1.00 0.00 C ATOM 0 H THR A 38 -0.213 -13.492 -6.804 1.00 0.00 H new ATOM 0 HA THR A 38 1.098 -13.599 -9.413 1.00 0.00 H new ATOM 0 HB THR A 38 -1.309 -13.033 -10.193 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.933 -13.609 -8.622 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.039 -15.365 -9.972 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.318 -15.252 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.788 -15.636 -8.736 1.00 0.00 H new ATOM 551 N GLY A 39 0.184 -10.881 -7.882 1.00 0.00 N ATOM 552 CA GLY A 39 0.294 -9.445 -7.975 1.00 0.00 C ATOM 553 C GLY A 39 0.188 -8.768 -6.634 1.00 0.00 C ATOM 554 O GLY A 39 0.331 -9.417 -5.603 1.00 0.00 O ATOM 0 H GLY A 39 -0.090 -11.240 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.248 -9.186 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.489 -9.066 -8.632 1.00 0.00 H new ATOM 558 N TYR A 40 -0.065 -7.468 -6.653 1.00 0.00 N ATOM 559 CA TYR A 40 -0.270 -6.685 -5.442 1.00 0.00 C ATOM 560 C TYR A 40 -1.367 -5.663 -5.641 1.00 0.00 C ATOM 561 O TYR A 40 -1.421 -4.999 -6.672 1.00 0.00 O ATOM 562 CB TYR A 40 0.997 -5.934 -5.039 1.00 0.00 C ATOM 563 CG TYR A 40 1.932 -6.721 -4.159 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.447 -7.937 -4.568 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.300 -6.245 -2.913 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.303 -8.649 -3.770 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.158 -6.955 -2.109 1.00 0.00 C ATOM 568 CZ TYR A 40 3.659 -8.153 -2.544 1.00 0.00 C ATOM 569 OH TYR A 40 4.516 -8.861 -1.751 1.00 0.00 O ATOM 0 H TYR A 40 -0.134 -6.923 -7.513 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.545 -7.391 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.531 -5.636 -5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.713 -5.019 -4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.170 -8.333 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.907 -5.301 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.695 -9.597 -4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.436 -6.570 -1.139 1.00 0.00 H new ATOM 0 HH TYR A 40 4.006 -9.346 -1.069 1.00 0.00 H new ATOM 579 N ARG A 41 -2.241 -5.551 -4.664 1.00 0.00 N ATOM 580 CA ARG A 41 -3.168 -4.435 -4.615 1.00 0.00 C ATOM 581 C ARG A 41 -2.709 -3.463 -3.559 1.00 0.00 C ATOM 582 O ARG A 41 -2.049 -3.853 -2.616 1.00 0.00 O ATOM 583 CB ARG A 41 -4.556 -4.907 -4.279 1.00 0.00 C ATOM 584 CG ARG A 41 -4.873 -6.251 -4.896 1.00 0.00 C ATOM 585 CD ARG A 41 -6.180 -6.811 -4.372 1.00 0.00 C ATOM 586 NE ARG A 41 -7.288 -5.877 -4.564 1.00 0.00 N ATOM 587 CZ ARG A 41 -8.506 -6.054 -4.067 1.00 0.00 C ATOM 588 NH1 ARG A 41 -8.796 -7.149 -3.368 1.00 0.00 N ATOM 589 NH2 ARG A 41 -9.435 -5.126 -4.262 1.00 0.00 N ATOM 0 H ARG A 41 -2.331 -6.215 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.190 -3.954 -5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.662 -4.973 -3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.281 -4.171 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.928 -6.150 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.065 -6.950 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.403 -7.749 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.078 -7.040 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.114 -5.036 -5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.080 -7.859 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.734 -7.279 -2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.211 -4.283 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.373 -5.256 -3.883 1.00 0.00 H new ATOM 603 N ILE A 42 -2.994 -2.201 -3.735 1.00 0.00 N ATOM 604 CA ILE A 42 -2.557 -1.207 -2.764 1.00 0.00 C ATOM 605 C ILE A 42 -3.622 -0.167 -2.493 1.00 0.00 C ATOM 606 O ILE A 42 -3.832 0.714 -3.307 1.00 0.00 O ATOM 607 CB ILE A 42 -1.287 -0.499 -3.264 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.274 -1.531 -3.732 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.696 0.376 -2.168 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.861 -0.953 -4.525 1.00 0.00 C ATOM 0 H ILE A 42 -3.519 -1.830 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.354 -1.739 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.548 0.144 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.130 -2.049 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.785 -2.278 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.202 0.869 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.426 1.129 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.440 -0.242 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.541 -1.751 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.469 -0.460 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.399 -0.227 -3.915 1.00 0.00 H new ATOM 622 N VAL A 43 -4.232 -0.218 -1.321 1.00 0.00 N ATOM 623 CA VAL A 43 -5.256 0.755 -0.974 1.00 0.00 C ATOM 624 C VAL A 43 -4.721 1.753 0.031 1.00 0.00 C ATOM 625 O VAL A 43 -4.458 1.421 1.179 1.00 0.00 O ATOM 626 CB VAL A 43 -6.540 0.107 -0.411 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.506 1.166 0.081 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.208 -0.757 -1.462 1.00 0.00 C ATOM 0 H VAL A 43 -4.040 -0.914 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.522 1.260 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.256 -0.523 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.403 0.686 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.033 1.751 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.778 1.823 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.110 -1.204 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.472 -0.144 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.523 -1.545 -1.774 1.00 0.00 H new ATOM 638 N TYR A 44 -4.553 2.973 -0.416 1.00 0.00 N ATOM 639 CA TYR A 44 -4.132 4.049 0.444 1.00 0.00 C ATOM 640 C TYR A 44 -5.257 5.034 0.596 1.00 0.00 C ATOM 641 O TYR A 44 -5.838 5.505 -0.392 1.00 0.00 O ATOM 642 CB TYR A 44 -2.848 4.715 -0.069 1.00 0.00 C ATOM 643 CG TYR A 44 -2.747 4.804 -1.574 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.500 3.666 -2.332 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.882 6.016 -2.234 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.397 3.727 -3.699 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.776 6.089 -3.607 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.534 4.944 -4.334 1.00 0.00 C ATOM 649 OH TYR A 44 -2.428 5.019 -5.695 1.00 0.00 O ATOM 0 H TYR A 44 -4.705 3.247 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.890 3.644 1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.784 5.720 0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.990 4.159 0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.387 2.714 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.073 6.914 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.210 2.831 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.882 7.039 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.551 5.948 -5.982 1.00 0.00 H new ATOM 659 N SER A 45 -5.582 5.286 1.847 1.00 0.00 N ATOM 660 CA SER A 45 -6.730 6.099 2.200 1.00 0.00 C ATOM 661 C SER A 45 -6.425 6.968 3.425 1.00 0.00 C ATOM 662 O SER A 45 -5.787 6.512 4.379 1.00 0.00 O ATOM 663 CB SER A 45 -7.927 5.183 2.487 1.00 0.00 C ATOM 664 OG SER A 45 -9.130 5.922 2.621 1.00 0.00 O ATOM 0 H SER A 45 -5.059 4.934 2.648 1.00 0.00 H new ATOM 0 HA SER A 45 -6.966 6.761 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.033 4.458 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.743 4.618 3.401 1.00 0.00 H new ATOM 0 HG SER A 45 -9.872 5.308 2.801 1.00 0.00 H new ATOM 670 N PRO A 46 -6.861 8.240 3.394 1.00 0.00 N ATOM 671 CA PRO A 46 -6.728 9.171 4.525 1.00 0.00 C ATOM 672 C PRO A 46 -7.504 8.705 5.750 1.00 0.00 C ATOM 673 O PRO A 46 -8.516 8.012 5.641 1.00 0.00 O ATOM 674 CB PRO A 46 -7.323 10.468 4.002 1.00 0.00 C ATOM 675 CG PRO A 46 -7.334 10.331 2.522 1.00 0.00 C ATOM 676 CD PRO A 46 -7.524 8.873 2.247 1.00 0.00 C ATOM 0 HA PRO A 46 -5.691 9.260 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.330 10.622 4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.727 11.326 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.138 10.920 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.401 10.692 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.579 8.606 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.069 8.576 1.302 1.00 0.00 H new ATOM 744 N SER A 52 -8.376 8.403 -1.906 1.00 0.00 N ATOM 745 CA SER A 52 -8.035 7.011 -1.691 1.00 0.00 C ATOM 746 C SER A 52 -7.894 6.307 -3.023 1.00 0.00 C ATOM 747 O SER A 52 -8.646 6.581 -3.961 1.00 0.00 O ATOM 748 CB SER A 52 -9.095 6.326 -0.826 1.00 0.00 C ATOM 749 OG SER A 52 -10.402 6.681 -1.250 1.00 0.00 O ATOM 0 HA SER A 52 -7.083 6.957 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.972 5.244 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.957 6.610 0.217 1.00 0.00 H new ATOM 0 HG SER A 52 -10.360 7.498 -1.789 1.00 0.00 H new ATOM 755 N THR A 53 -6.911 5.438 -3.127 1.00 0.00 N ATOM 756 CA THR A 53 -6.657 4.756 -4.385 1.00 0.00 C ATOM 757 C THR A 53 -6.109 3.349 -4.159 1.00 0.00 C ATOM 758 O THR A 53 -5.477 3.082 -3.137 1.00 0.00 O ATOM 759 CB THR A 53 -5.675 5.578 -5.248 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.177 6.912 -5.409 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.465 4.950 -6.616 1.00 0.00 C ATOM 0 H THR A 53 -6.279 5.187 -2.367 1.00 0.00 H new ATOM 0 HA THR A 53 -7.607 4.663 -4.912 1.00 0.00 H new ATOM 0 HB THR A 53 -4.714 5.596 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.552 7.433 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.768 5.558 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.058 3.946 -6.497 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.418 4.895 -7.141 1.00 0.00 H new ATOM 769 N GLU A 54 -6.388 2.456 -5.103 1.00 0.00 N ATOM 770 CA GLU A 54 -5.817 1.126 -5.113 1.00 0.00 C ATOM 771 C GLU A 54 -4.939 0.958 -6.349 1.00 0.00 C ATOM 772 O GLU A 54 -5.437 1.005 -7.474 1.00 0.00 O ATOM 773 CB GLU A 54 -6.916 0.056 -5.109 1.00 0.00 C ATOM 774 CG GLU A 54 -6.385 -1.362 -4.930 1.00 0.00 C ATOM 775 CD GLU A 54 -7.463 -2.422 -5.052 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.488 -2.325 -4.345 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.297 -3.351 -5.871 1.00 0.00 O ATOM 0 H GLU A 54 -7.019 2.641 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.215 1.001 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.622 0.275 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.470 0.112 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.612 -1.551 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.911 -1.445 -3.952 1.00 0.00 H new ATOM 784 N LEU A 55 -3.640 0.781 -6.150 1.00 0.00 N ATOM 785 CA LEU A 55 -2.747 0.526 -7.270 1.00 0.00 C ATOM 786 C LEU A 55 -2.520 -0.961 -7.412 1.00 0.00 C ATOM 787 O LEU A 55 -2.668 -1.711 -6.455 1.00 0.00 O ATOM 788 CB LEU A 55 -1.404 1.281 -7.153 1.00 0.00 C ATOM 789 CG LEU A 55 -1.528 2.794 -7.308 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.173 3.442 -7.527 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.478 3.154 -8.440 1.00 0.00 C ATOM 0 H LEU A 55 -3.187 0.809 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.232 0.909 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.958 1.061 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.719 0.903 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.941 3.182 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.298 4.520 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.472 3.234 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.281 3.038 -8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.546 4.238 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.104 2.738 -9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.466 2.744 -8.230 1.00 0.00 H new ATOM 803 N ASN A 56 -2.216 -1.385 -8.619 1.00 0.00 N ATOM 804 CA ASN A 56 -1.964 -2.784 -8.885 1.00 0.00 C ATOM 805 C ASN A 56 -0.538 -2.950 -9.360 1.00 0.00 C ATOM 806 O ASN A 56 -0.151 -2.387 -10.381 1.00 0.00 O ATOM 807 CB ASN A 56 -2.943 -3.314 -9.934 1.00 0.00 C ATOM 808 CG ASN A 56 -2.756 -4.793 -10.207 1.00 0.00 C ATOM 809 OD1 ASN A 56 -2.002 -5.184 -11.099 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.446 -5.626 -9.445 1.00 0.00 N ATOM 0 H ASN A 56 -2.137 -0.778 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.108 -3.358 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.964 -3.136 -9.596 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.813 -2.757 -10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.364 -6.633 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.060 -5.261 -8.717 1.00 0.00 H new ATOM 817 N LEU A 57 0.246 -3.708 -8.617 1.00 0.00 N ATOM 818 CA LEU A 57 1.646 -3.880 -8.928 1.00 0.00 C ATOM 819 C LEU A 57 1.900 -5.334 -9.264 1.00 0.00 C ATOM 820 O LEU A 57 1.118 -6.204 -8.894 1.00 0.00 O ATOM 821 CB LEU A 57 2.542 -3.423 -7.755 1.00 0.00 C ATOM 822 CG LEU A 57 2.614 -1.918 -7.507 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.959 -1.552 -6.922 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.370 -1.129 -8.772 1.00 0.00 C ATOM 0 H LEU A 57 -0.068 -4.216 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 57 1.899 -3.258 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.185 -3.903 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.553 -3.789 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 57 1.826 -1.662 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.000 -0.477 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.100 -2.077 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.748 -1.838 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.430 -0.063 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.124 -1.390 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.380 -1.364 -9.162 1.00 0.00 H new ATOM 836 N PRO A 58 2.957 -5.610 -10.022 1.00 0.00 N ATOM 837 CA PRO A 58 3.343 -6.975 -10.338 1.00 0.00 C ATOM 838 C PRO A 58 3.756 -7.741 -9.085 1.00 0.00 C ATOM 839 O PRO A 58 4.210 -7.163 -8.099 1.00 0.00 O ATOM 840 CB PRO A 58 4.525 -6.820 -11.304 1.00 0.00 C ATOM 841 CG PRO A 58 5.004 -5.418 -11.141 1.00 0.00 C ATOM 842 CD PRO A 58 3.833 -4.611 -10.651 1.00 0.00 C ATOM 0 HA PRO A 58 2.521 -7.545 -10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.316 -7.533 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.217 -7.011 -12.332 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.829 -5.372 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.376 -5.024 -12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.144 -3.847 -9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.330 -4.097 -11.470 1.00 0.00 H new ATOM 850 N GLU A 59 3.550 -9.047 -9.146 1.00 0.00 N ATOM 851 CA GLU A 59 3.880 -9.989 -8.066 1.00 0.00 C ATOM 852 C GLU A 59 5.284 -9.788 -7.491 1.00 0.00 C ATOM 853 O GLU A 59 5.551 -10.152 -6.345 1.00 0.00 O ATOM 854 CB GLU A 59 3.770 -11.413 -8.604 1.00 0.00 C ATOM 855 CG GLU A 59 4.551 -11.630 -9.891 1.00 0.00 C ATOM 856 CD GLU A 59 4.474 -13.051 -10.397 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.474 -13.400 -11.061 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.422 -13.822 -10.146 1.00 0.00 O ATOM 0 H GLU A 59 3.140 -9.501 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 59 3.173 -9.806 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.130 -12.109 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.720 -11.648 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.170 -10.956 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.595 -11.366 -9.724 1.00 0.00 H new ATOM 865 N THR A 60 6.170 -9.224 -8.290 1.00 0.00 N ATOM 866 CA THR A 60 7.558 -9.052 -7.898 1.00 0.00 C ATOM 867 C THR A 60 7.867 -7.580 -7.601 1.00 0.00 C ATOM 868 O THR A 60 9.024 -7.189 -7.455 1.00 0.00 O ATOM 869 CB THR A 60 8.502 -9.601 -8.998 1.00 0.00 C ATOM 870 OG1 THR A 60 9.878 -9.474 -8.607 1.00 0.00 O ATOM 871 CG2 THR A 60 8.273 -8.881 -10.319 1.00 0.00 C ATOM 0 H THR A 60 5.951 -8.874 -9.223 1.00 0.00 H new ATOM 0 HA THR A 60 7.727 -9.620 -6.983 1.00 0.00 H new ATOM 0 HB THR A 60 8.273 -10.658 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.007 -8.625 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.947 -9.284 -11.075 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.241 -9.026 -10.639 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.466 -7.816 -10.191 1.00 0.00 H new ATOM 879 N ALA A 61 6.824 -6.767 -7.482 1.00 0.00 N ATOM 880 CA ALA A 61 6.997 -5.352 -7.174 1.00 0.00 C ATOM 881 C ALA A 61 7.311 -5.177 -5.701 1.00 0.00 C ATOM 882 O ALA A 61 6.971 -6.035 -4.886 1.00 0.00 O ATOM 883 CB ALA A 61 5.754 -4.565 -7.539 1.00 0.00 C ATOM 0 H ALA A 61 5.854 -7.061 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 61 7.829 -4.970 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.907 -3.512 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.557 -4.670 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.903 -4.946 -6.974 1.00 0.00 H new ATOM 889 N ASN A 62 7.952 -4.076 -5.356 1.00 0.00 N ATOM 890 CA ASN A 62 8.344 -3.845 -3.977 1.00 0.00 C ATOM 891 C ASN A 62 8.184 -2.387 -3.569 1.00 0.00 C ATOM 892 O ASN A 62 8.710 -1.982 -2.540 1.00 0.00 O ATOM 893 CB ASN A 62 9.798 -4.271 -3.750 1.00 0.00 C ATOM 894 CG ASN A 62 10.804 -3.353 -4.431 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.539 -2.777 -5.488 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.970 -3.212 -3.825 1.00 0.00 N ATOM 0 H ASN A 62 8.211 -3.333 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 62 7.679 -4.448 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.001 -4.292 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.934 -5.287 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.686 -2.610 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.153 -3.705 -2.951 1.00 0.00 H new ATOM 903 N SER A 63 7.464 -1.597 -4.351 1.00 0.00 N ATOM 904 CA SER A 63 7.325 -0.184 -4.035 1.00 0.00 C ATOM 905 C SER A 63 6.252 0.498 -4.880 1.00 0.00 C ATOM 906 O SER A 63 6.189 0.302 -6.094 1.00 0.00 O ATOM 907 CB SER A 63 8.672 0.521 -4.221 1.00 0.00 C ATOM 908 OG SER A 63 9.263 0.189 -5.469 1.00 0.00 O ATOM 0 H SER A 63 6.976 -1.902 -5.193 1.00 0.00 H new ATOM 0 HA SER A 63 7.008 -0.109 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.531 1.600 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.346 0.241 -3.412 1.00 0.00 H new ATOM 0 HG SER A 63 9.608 -0.728 -5.434 1.00 0.00 H new ATOM 914 N VAL A 64 5.420 1.305 -4.230 1.00 0.00 N ATOM 915 CA VAL A 64 4.404 2.084 -4.935 1.00 0.00 C ATOM 916 C VAL A 64 4.620 3.576 -4.696 1.00 0.00 C ATOM 917 O VAL A 64 4.886 4.002 -3.562 1.00 0.00 O ATOM 918 CB VAL A 64 2.951 1.722 -4.523 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.759 1.814 -3.034 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.974 2.615 -5.232 1.00 0.00 C ATOM 0 H VAL A 64 5.428 1.438 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 64 4.519 1.837 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 64 2.768 0.688 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.731 1.554 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.440 1.124 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.967 2.831 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.959 2.352 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.172 3.654 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.081 2.489 -6.309 1.00 0.00 H new ATOM 930 N THR A 65 4.549 4.356 -5.767 1.00 0.00 N ATOM 931 CA THR A 65 4.503 5.789 -5.668 1.00 0.00 C ATOM 932 C THR A 65 3.049 6.263 -5.743 1.00 0.00 C ATOM 933 O THR A 65 2.443 6.315 -6.814 1.00 0.00 O ATOM 934 CB THR A 65 5.331 6.406 -6.802 1.00 0.00 C ATOM 935 OG1 THR A 65 6.722 6.126 -6.592 1.00 0.00 O ATOM 936 CG2 THR A 65 5.115 7.913 -6.910 1.00 0.00 C ATOM 0 H THR A 65 4.522 4.003 -6.723 1.00 0.00 H new ATOM 0 HA THR A 65 4.923 6.107 -4.714 1.00 0.00 H new ATOM 0 HB THR A 65 5.000 5.958 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.248 6.520 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.720 8.310 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.062 8.117 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.408 8.391 -5.975 1.00 0.00 H new ATOM 944 N LEU A 66 2.500 6.573 -4.586 1.00 0.00 N ATOM 945 CA LEU A 66 1.135 7.056 -4.468 1.00 0.00 C ATOM 946 C LEU A 66 1.094 8.521 -4.843 1.00 0.00 C ATOM 947 O LEU A 66 2.021 9.269 -4.515 1.00 0.00 O ATOM 948 CB LEU A 66 0.641 6.906 -3.037 1.00 0.00 C ATOM 949 CG LEU A 66 1.355 5.851 -2.205 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.184 6.144 -0.742 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.821 4.476 -2.541 1.00 0.00 C ATOM 0 H LEU A 66 2.990 6.497 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 66 0.497 6.473 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.740 7.868 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.422 6.666 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 66 2.419 5.874 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.699 5.383 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.606 7.123 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.123 6.139 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.338 3.728 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.247 4.438 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.986 4.270 -3.598 1.00 0.00 H new ATOM 963 N SER A 67 0.014 8.939 -5.481 1.00 0.00 N ATOM 964 CA SER A 67 -0.072 10.286 -6.003 1.00 0.00 C ATOM 965 C SER A 67 -1.475 10.841 -5.817 1.00 0.00 C ATOM 966 O SER A 67 -2.395 10.102 -5.460 1.00 0.00 O ATOM 967 CB SER A 67 0.341 10.308 -7.480 1.00 0.00 C ATOM 968 OG SER A 67 -0.302 9.276 -8.211 1.00 0.00 O ATOM 0 H SER A 67 -0.812 8.364 -5.648 1.00 0.00 H new ATOM 0 HA SER A 67 0.616 10.924 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.090 11.275 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.422 10.193 -7.559 1.00 0.00 H new ATOM 0 HG SER A 67 -0.021 9.316 -9.149 1.00 0.00 H new ATOM 974 N ASP A 68 -1.617 12.145 -6.040 1.00 0.00 N ATOM 975 CA ASP A 68 -2.889 12.843 -5.871 1.00 0.00 C ATOM 976 C ASP A 68 -3.344 12.813 -4.419 1.00 0.00 C ATOM 977 O ASP A 68 -4.537 12.869 -4.133 1.00 0.00 O ATOM 978 CB ASP A 68 -3.974 12.263 -6.783 1.00 0.00 C ATOM 979 CG ASP A 68 -3.815 12.705 -8.219 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.154 13.867 -8.525 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.355 11.897 -9.054 1.00 0.00 O ATOM 0 H ASP A 68 -0.853 12.748 -6.343 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.727 13.882 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.942 11.175 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.954 12.569 -6.418 1.00 0.00 H new ATOM 986 N LEU A 69 -2.384 12.728 -3.501 1.00 0.00 N ATOM 987 CA LEU A 69 -2.686 12.796 -2.075 1.00 0.00 C ATOM 988 C LEU A 69 -3.117 14.210 -1.708 1.00 0.00 C ATOM 989 O LEU A 69 -3.271 15.071 -2.569 1.00 0.00 O ATOM 990 CB LEU A 69 -1.486 12.414 -1.201 1.00 0.00 C ATOM 991 CG LEU A 69 -0.668 11.212 -1.636 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.489 11.026 -0.687 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.540 9.977 -1.640 1.00 0.00 C ATOM 0 H LEU A 69 -1.394 12.612 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.486 12.080 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.820 13.275 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.849 12.228 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.284 11.375 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.079 10.163 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.116 11.917 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.110 10.863 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.950 9.116 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.931 9.804 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.369 10.119 -2.333 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.333 14.440 -0.431 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.671 15.762 0.045 1.00 0.00 C ATOM 1007 C GLN A 70 -2.683 16.162 1.130 1.00 0.00 C ATOM 1008 O GLN A 70 -2.515 15.442 2.114 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.110 15.782 0.568 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.607 17.162 0.972 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.647 18.135 -0.192 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.836 17.743 -1.343 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.465 19.413 0.101 1.00 0.00 N ATOM 0 H GLN A 70 -3.280 13.727 0.297 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.608 16.481 -0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.770 15.381 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.182 15.116 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.605 17.073 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.960 17.562 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.311 19.698 1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.479 20.113 -0.641 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.985 17.290 0.943 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.963 17.760 1.885 1.00 0.00 C ATOM 1024 C PRO A 71 -1.542 18.087 3.261 1.00 0.00 C ATOM 1025 O PRO A 71 -2.539 18.806 3.376 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.407 19.014 1.217 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.471 19.457 0.275 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.134 18.201 -0.204 1.00 0.00 C ATOM 0 HA PRO A 71 -0.207 16.999 2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.185 19.787 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.522 18.800 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.186 20.113 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.048 20.019 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.182 18.368 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.652 17.806 -1.098 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.921 17.541 4.300 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.393 17.757 5.651 1.00 0.00 C ATOM 1038 C GLY A 72 -2.469 16.763 6.041 1.00 0.00 C ATOM 1039 O GLY A 72 -3.387 17.090 6.796 1.00 0.00 O ATOM 0 H GLY A 72 -0.094 16.949 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.556 17.677 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.785 18.770 5.741 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.359 15.548 5.519 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.362 14.517 5.752 1.00 0.00 C ATOM 1045 C VAL A 73 -2.703 13.176 6.066 1.00 0.00 C ATOM 1046 O VAL A 73 -1.645 12.845 5.528 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.293 14.361 4.526 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.287 13.244 4.708 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.064 15.626 4.242 1.00 0.00 C ATOM 0 H VAL A 73 -1.582 15.252 4.929 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.958 14.829 6.610 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.635 14.132 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.919 13.172 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.755 12.304 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.907 13.447 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.705 15.474 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.677 15.880 5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.367 16.439 4.040 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.336 12.420 6.951 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.857 11.118 7.355 1.00 0.00 C ATOM 1061 C GLN A 74 -3.244 10.079 6.314 1.00 0.00 C ATOM 1062 O GLN A 74 -4.425 9.815 6.108 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.485 10.774 8.697 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.658 9.834 9.564 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.444 8.476 8.933 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -3.258 7.573 9.096 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -1.337 8.317 8.220 1.00 0.00 N ATOM 0 H GLN A 74 -4.203 12.701 7.409 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.771 11.127 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.658 11.698 9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.460 10.320 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.689 10.292 9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.154 9.706 10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.686 9.094 8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.137 7.418 7.783 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.252 9.492 5.673 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.492 8.516 4.624 1.00 0.00 C ATOM 1078 C TYR A 75 -2.066 7.116 5.041 1.00 0.00 C ATOM 1079 O TYR A 75 -0.891 6.850 5.271 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.783 8.930 3.336 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.651 9.799 2.462 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.488 9.228 1.518 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.660 11.180 2.598 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.312 10.005 0.735 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.481 11.966 1.811 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.306 11.372 0.883 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.144 12.148 0.108 1.00 0.00 O ATOM 0 H TYR A 75 -1.266 9.674 5.861 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.567 8.489 4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.867 9.467 3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.490 8.038 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.495 8.155 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.017 11.647 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.961 9.542 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.475 13.040 1.924 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.391 12.957 0.603 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.044 6.234 5.156 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.791 4.833 5.454 1.00 0.00 C ATOM 1099 C ASN A 76 -2.543 4.065 4.165 1.00 0.00 C ATOM 1100 O ASN A 76 -3.444 3.943 3.333 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.985 4.208 6.184 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.292 4.883 7.503 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.761 4.506 8.543 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -5.167 5.877 7.472 1.00 0.00 N ATOM 0 H ASN A 76 -4.031 6.466 5.046 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.912 4.777 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.864 4.261 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.783 3.152 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.422 6.359 8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.586 6.160 6.586 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.324 3.576 3.987 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.009 2.733 2.843 1.00 0.00 C ATOM 1113 C ILE A 77 -1.173 1.281 3.224 1.00 0.00 C ATOM 1114 O ILE A 77 -0.495 0.775 4.121 1.00 0.00 O ATOM 1115 CB ILE A 77 0.424 2.949 2.305 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.648 4.377 1.836 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.734 2.007 1.152 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.069 5.342 2.922 1.00 0.00 C ATOM 0 H ILE A 77 -0.540 3.747 4.617 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.702 3.012 2.049 1.00 0.00 H new ATOM 0 HB ILE A 77 1.093 2.739 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.410 4.373 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.272 4.743 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.749 2.186 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.645 0.975 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.030 2.183 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.205 6.335 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.299 5.382 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.007 5.006 3.364 1.00 0.00 H new ATOM 1130 N THR A 78 -2.092 0.628 2.561 1.00 0.00 N ATOM 1131 CA THR A 78 -2.376 -0.750 2.817 1.00 0.00 C ATOM 1132 C THR A 78 -1.929 -1.616 1.639 1.00 0.00 C ATOM 1133 O THR A 78 -2.469 -1.497 0.534 1.00 0.00 O ATOM 1134 CB THR A 78 -3.876 -0.921 3.063 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.288 -0.066 4.141 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.219 -2.363 3.399 1.00 0.00 C ATOM 0 H THR A 78 -2.664 1.044 1.826 1.00 0.00 H new ATOM 0 HA THR A 78 -1.826 -1.070 3.702 1.00 0.00 H new ATOM 0 HB THR A 78 -4.404 -0.649 2.149 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.249 -0.175 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.292 -2.452 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.928 -3.009 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.684 -2.664 4.299 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.943 -2.480 1.869 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.435 -3.344 0.797 1.00 0.00 C ATOM 1146 C ILE A 79 -1.132 -4.702 0.856 1.00 0.00 C ATOM 1147 O ILE A 79 -1.427 -5.213 1.930 1.00 0.00 O ATOM 1148 CB ILE A 79 1.103 -3.606 0.846 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.951 -2.362 1.071 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.577 -4.229 -0.439 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.602 -1.183 0.202 1.00 0.00 C ATOM 0 H ILE A 79 -0.484 -2.603 2.771 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.646 -2.804 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 79 1.234 -4.268 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.859 -2.063 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.997 -2.619 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.652 -4.403 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.063 -5.177 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.360 -3.558 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.262 -0.349 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.723 -1.455 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.568 -0.890 0.384 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.400 -5.270 -0.301 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.031 -6.571 -0.406 1.00 0.00 C ATOM 1165 C TYR A 80 -1.226 -7.458 -1.351 1.00 0.00 C ATOM 1166 O TYR A 80 -1.193 -7.202 -2.559 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.447 -6.441 -0.982 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.383 -5.520 -0.228 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.188 -6.013 0.790 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.490 -4.169 -0.557 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -6.073 -5.191 1.460 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.368 -3.345 0.116 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.159 -3.860 1.120 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.044 -3.040 1.781 1.00 0.00 O ATOM 0 H TYR A 80 -1.185 -4.840 -1.201 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.074 -7.005 0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.370 -6.087 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.896 -7.433 -1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.121 -7.056 1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.878 -3.763 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.695 -5.591 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.435 -2.299 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.167 -3.363 2.698 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.593 -8.493 -0.816 1.00 0.00 N ATOM 1185 CA ALA A 81 0.073 -9.487 -1.647 1.00 0.00 C ATOM 1186 C ALA A 81 -0.964 -10.485 -2.131 1.00 0.00 C ATOM 1187 O ALA A 81 -1.657 -11.096 -1.322 1.00 0.00 O ATOM 1188 CB ALA A 81 1.186 -10.191 -0.871 1.00 0.00 C ATOM 0 H ALA A 81 -0.527 -8.666 0.187 1.00 0.00 H new ATOM 0 HA ALA A 81 0.537 -8.996 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.667 -10.928 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.923 -9.457 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.762 -10.691 0.000 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.106 -10.635 -3.437 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.165 -11.501 -3.958 1.00 0.00 C ATOM 1196 C VAL A 82 -1.610 -12.670 -4.755 1.00 0.00 C ATOM 1197 O VAL A 82 -0.736 -12.488 -5.592 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.195 -10.718 -4.820 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.560 -10.051 -6.017 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.316 -11.628 -5.287 1.00 0.00 C ATOM 0 H VAL A 82 -0.523 -10.186 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.681 -11.896 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.601 -9.938 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.323 -9.518 -6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.800 -9.346 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.098 -10.807 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.023 -11.056 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.901 -12.437 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.830 -12.045 -4.421 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.116 -13.869 -4.463 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.812 -15.058 -5.248 1.00 0.00 C ATOM 1212 C GLU A 83 -2.969 -15.311 -6.198 1.00 0.00 C ATOM 1213 O GLU A 83 -3.986 -14.621 -6.119 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.608 -16.313 -4.393 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.860 -16.124 -3.096 1.00 0.00 C ATOM 1216 CD GLU A 83 -0.651 -17.445 -2.372 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.629 -18.212 -2.232 1.00 0.00 O ATOM 1218 OE2 GLU A 83 0.487 -17.723 -1.948 1.00 0.00 O ATOM 0 H GLU A 83 -2.745 -14.039 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.876 -14.869 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.587 -16.735 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.074 -17.052 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.106 -15.662 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.413 -15.440 -2.453 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.801 -16.271 -7.107 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.837 -16.620 -8.090 1.00 0.00 C ATOM 1227 C GLU A 84 -5.246 -16.570 -7.498 1.00 0.00 C ATOM 1228 O GLU A 84 -6.169 -16.061 -8.132 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.597 -18.019 -8.649 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.334 -18.157 -9.474 1.00 0.00 C ATOM 1231 CD GLU A 84 -2.220 -19.529 -10.094 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.836 -20.477 -9.381 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -2.536 -19.672 -11.293 1.00 0.00 O ATOM 0 H GLU A 84 -1.950 -16.828 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.769 -15.876 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.553 -18.725 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.451 -18.302 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.328 -17.401 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.465 -17.969 -8.844 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.409 -17.089 -6.287 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.723 -17.115 -5.655 1.00 0.00 C ATOM 1242 C ASN A 85 -6.694 -16.519 -4.242 1.00 0.00 C ATOM 1243 O ASN A 85 -7.729 -16.095 -3.725 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.257 -18.553 -5.627 1.00 0.00 C ATOM 1245 CG ASN A 85 -8.652 -18.660 -5.038 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -9.647 -18.435 -5.730 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -8.739 -19.028 -3.769 1.00 0.00 N ATOM 0 H ASN A 85 -4.658 -17.493 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.393 -16.493 -6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.266 -18.950 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.576 -19.176 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.654 -19.135 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.891 -19.205 -3.230 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.517 -16.452 -3.627 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.419 -16.026 -2.234 1.00 0.00 C ATOM 1256 C GLN A 86 -5.042 -14.555 -2.122 1.00 0.00 C ATOM 1257 O GLN A 86 -4.630 -13.929 -3.095 1.00 0.00 O ATOM 1258 CB GLN A 86 -4.381 -16.845 -1.464 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.761 -18.293 -1.180 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.929 -19.133 -2.429 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -6.040 -19.326 -2.920 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -3.820 -19.591 -2.981 1.00 0.00 N ATOM 0 H GLN A 86 -4.626 -16.685 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.406 -16.186 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.448 -16.837 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.184 -16.347 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.995 -18.744 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.691 -18.311 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.918 -19.408 -2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.865 -20.127 -3.847 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.179 -14.027 -0.913 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.773 -12.665 -0.591 1.00 0.00 C ATOM 1273 C GLU A 87 -4.243 -12.620 0.837 1.00 0.00 C ATOM 1274 O GLU A 87 -4.945 -12.988 1.780 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.941 -11.684 -0.753 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.249 -11.335 -2.201 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.455 -10.430 -2.345 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.306 -9.198 -2.211 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.561 -10.949 -2.600 1.00 0.00 O ATOM 0 H GLU A 87 -5.577 -14.535 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.987 -12.364 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.832 -12.114 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.713 -10.768 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.381 -10.848 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.421 -12.253 -2.762 1.00 0.00 H new ATOM 1286 N SER A 88 -2.999 -12.192 0.982 1.00 0.00 N ATOM 1287 CA SER A 88 -2.344 -12.129 2.278 1.00 0.00 C ATOM 1288 C SER A 88 -2.986 -11.075 3.173 1.00 0.00 C ATOM 1289 O SER A 88 -3.810 -10.274 2.721 1.00 0.00 O ATOM 1290 CB SER A 88 -0.866 -11.792 2.091 1.00 0.00 C ATOM 1291 OG SER A 88 -0.272 -12.617 1.106 1.00 0.00 O ATOM 0 H SER A 88 -2.416 -11.879 0.206 1.00 0.00 H new ATOM 0 HA SER A 88 -2.451 -13.102 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.763 -10.746 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.340 -11.915 3.038 1.00 0.00 H new ATOM 0 HG SER A 88 0.701 -12.615 1.221 1.00 0.00 H new ATOM 1297 N THR A 89 -2.600 -11.086 4.444 1.00 0.00 N ATOM 1298 CA THR A 89 -3.005 -10.053 5.379 1.00 0.00 C ATOM 1299 C THR A 89 -2.560 -8.684 4.875 1.00 0.00 C ATOM 1300 O THR A 89 -1.560 -8.567 4.166 1.00 0.00 O ATOM 1301 CB THR A 89 -2.400 -10.310 6.771 1.00 0.00 C ATOM 1302 OG1 THR A 89 -1.015 -10.660 6.646 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.150 -11.417 7.494 1.00 0.00 C ATOM 0 H THR A 89 -2.002 -11.807 4.849 1.00 0.00 H new ATOM 0 HA THR A 89 -4.092 -10.074 5.459 1.00 0.00 H new ATOM 0 HB THR A 89 -2.490 -9.395 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.637 -10.820 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.703 -11.579 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.195 -11.130 7.614 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.091 -12.337 6.912 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.305 -7.634 5.210 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.993 -6.290 4.752 1.00 0.00 C ATOM 1313 C PRO A 90 -1.822 -5.658 5.504 1.00 0.00 C ATOM 1314 O PRO A 90 -1.704 -5.781 6.725 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.286 -5.521 5.023 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.928 -6.237 6.162 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.518 -7.673 6.050 1.00 0.00 C ATOM 0 HA PRO A 90 -2.681 -6.282 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.081 -4.481 5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.933 -5.514 4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.607 -5.816 7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.013 -6.139 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.312 -8.107 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.301 -8.277 5.592 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.962 -4.997 4.751 1.00 0.00 N ATOM 1326 CA VAL A 91 0.077 -4.149 5.296 1.00 0.00 C ATOM 1327 C VAL A 91 -0.525 -2.805 5.614 1.00 0.00 C ATOM 1328 O VAL A 91 -1.068 -2.176 4.716 1.00 0.00 O ATOM 1329 CB VAL A 91 1.156 -3.869 4.262 1.00 0.00 C ATOM 1330 CG1 VAL A 91 2.064 -2.778 4.778 1.00 0.00 C ATOM 1331 CG2 VAL A 91 1.949 -5.106 3.905 1.00 0.00 C ATOM 0 H VAL A 91 -0.967 -5.036 3.732 1.00 0.00 H new ATOM 0 HA VAL A 91 0.497 -4.654 6.166 1.00 0.00 H new ATOM 0 HB VAL A 91 0.669 -3.542 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.840 -2.572 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.482 -1.873 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.526 -3.100 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.706 -4.851 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.434 -5.498 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.279 -5.862 3.495 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.439 -2.351 6.843 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.902 -1.014 7.139 1.00 0.00 C ATOM 1343 C VAL A 92 0.244 -0.147 7.639 1.00 0.00 C ATOM 1344 O VAL A 92 0.712 -0.298 8.766 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.045 -0.997 8.169 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.693 0.377 8.183 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.074 -2.077 7.863 1.00 0.00 C ATOM 0 H VAL A 92 -0.063 -2.871 7.636 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.291 -0.609 6.205 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.633 -1.208 9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.503 0.390 8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.950 1.127 8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.092 0.601 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.870 -2.042 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.495 -1.908 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.594 -3.055 7.891 1.00 0.00 H new ATOM 1357 N ILE A 93 0.691 0.755 6.783 1.00 0.00 N ATOM 1358 CA ILE A 93 1.704 1.730 7.147 1.00 0.00 C ATOM 1359 C ILE A 93 1.144 3.133 6.969 1.00 0.00 C ATOM 1360 O ILE A 93 0.859 3.567 5.854 1.00 0.00 O ATOM 1361 CB ILE A 93 3.001 1.562 6.321 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.686 1.375 4.842 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.810 0.385 6.850 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.863 1.671 3.953 1.00 0.00 C ATOM 0 H ILE A 93 0.364 0.832 5.820 1.00 0.00 H new ATOM 0 HA ILE A 93 1.967 1.565 8.192 1.00 0.00 H new ATOM 0 HB ILE A 93 3.594 2.470 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.357 0.350 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.856 2.026 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.721 0.276 6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.071 0.563 7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.218 -0.527 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.579 1.521 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.178 2.705 4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.686 1.002 4.205 1.00 0.00 H new ATOM 1376 N GLN A 94 0.950 3.826 8.075 1.00 0.00 N ATOM 1377 CA GLN A 94 0.311 5.127 8.037 1.00 0.00 C ATOM 1378 C GLN A 94 1.338 6.254 8.102 1.00 0.00 C ATOM 1379 O GLN A 94 2.139 6.341 9.033 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.719 5.244 9.164 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.143 5.058 10.558 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.204 5.095 11.636 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.762 4.060 12.008 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.501 6.282 12.136 1.00 0.00 N ATOM 0 H GLN A 94 1.224 3.512 9.006 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.211 5.224 7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.193 6.224 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.501 4.502 9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.384 4.105 10.605 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.592 5.839 10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.015 7.113 11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.216 6.367 12.858 1.00 0.00 H new ATOM 1393 N GLN A 95 1.319 7.094 7.082 1.00 0.00 N ATOM 1394 CA GLN A 95 2.214 8.231 6.994 1.00 0.00 C ATOM 1395 C GLN A 95 1.427 9.509 6.721 1.00 0.00 C ATOM 1396 O GLN A 95 0.600 9.550 5.815 1.00 0.00 O ATOM 1397 CB GLN A 95 3.225 7.999 5.868 1.00 0.00 C ATOM 1398 CG GLN A 95 4.668 7.906 6.338 1.00 0.00 C ATOM 1399 CD GLN A 95 5.141 9.140 7.085 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.562 10.293 6.778 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.014 9.053 7.946 1.00 0.00 N flip ATOM 0 H GLN A 95 0.681 7.005 6.291 1.00 0.00 H new ATOM 0 HA GLN A 95 2.740 8.340 7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.965 7.079 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.141 8.811 5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.776 7.035 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.313 7.744 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.436 8.148 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.316 9.886 8.452 1.00 0.00 H new ATOM 1410 N GLU A 96 1.680 10.546 7.504 1.00 0.00 N ATOM 1411 CA GLU A 96 1.046 11.838 7.280 1.00 0.00 C ATOM 1412 C GLU A 96 1.849 12.638 6.270 1.00 0.00 C ATOM 1413 O GLU A 96 3.074 12.697 6.351 1.00 0.00 O ATOM 1414 CB GLU A 96 0.933 12.619 8.589 1.00 0.00 C ATOM 1415 CG GLU A 96 0.017 11.965 9.603 1.00 0.00 C ATOM 1416 CD GLU A 96 0.083 12.625 10.962 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.605 13.644 11.167 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.825 12.123 11.834 1.00 0.00 O ATOM 0 H GLU A 96 2.318 10.520 8.299 1.00 0.00 H new ATOM 0 HA GLU A 96 0.042 11.668 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.926 12.728 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.567 13.623 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.009 12.001 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.284 10.913 9.702 1.00 0.00 H new ATOM 1425 N THR A 97 1.160 13.232 5.314 1.00 0.00 N ATOM 1426 CA THR A 97 1.818 13.972 4.257 1.00 0.00 C ATOM 1427 C THR A 97 2.457 15.253 4.787 1.00 0.00 C ATOM 1428 O THR A 97 1.772 16.170 5.243 1.00 0.00 O ATOM 1429 CB THR A 97 0.840 14.307 3.119 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.362 14.876 3.654 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.498 13.060 2.320 1.00 0.00 C ATOM 0 H THR A 97 0.142 13.216 5.249 1.00 0.00 H new ATOM 0 HA THR A 97 2.606 13.331 3.862 1.00 0.00 H new ATOM 0 HB THR A 97 1.321 15.028 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.001 15.032 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.195 13.319 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.408 12.642 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.035 12.323 2.976 1.00 0.00 H new ATOM 1439 N THR A 98 3.781 15.295 4.728 1.00 0.00 N ATOM 1440 CA THR A 98 4.540 16.446 5.180 1.00 0.00 C ATOM 1441 C THR A 98 4.315 17.617 4.234 1.00 0.00 C ATOM 1442 O THR A 98 4.308 18.779 4.638 1.00 0.00 O ATOM 1443 CB THR A 98 6.041 16.113 5.219 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.233 14.826 5.825 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.820 17.166 5.996 1.00 0.00 C ATOM 0 H THR A 98 4.355 14.533 4.366 1.00 0.00 H new ATOM 0 HA THR A 98 4.203 16.711 6.182 1.00 0.00 H new ATOM 0 HB THR A 98 6.414 16.100 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.190 14.614 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.878 16.903 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.693 18.138 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.448 17.212 7.020 1.00 0.00 H new