USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN :FLIP amide:sc= 1.03 F(o=-3.5,f=0.43) USER MOD Set 1.2: A 93 SER OG : rot -100:sc= -0.6! USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0739 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 166:sc= 0.216 USER MOD Single : A 32 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.17) USER MOD Single : A 34 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.98) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 137:sc= 1.52 USER MOD Single : A 61 CYS SG : rot 77:sc= 0.345 USER MOD Single : A 65 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.7!) USER MOD Single : A 71 MET CE :methyl -151:sc= -0.216 (180deg=-1.07) USER MOD Single : A 78 THR OG1 : rot 68:sc= 1.17 USER MOD Single : A 81 SER OG : rot 158:sc= 1.16 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00958 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot -104:sc= 1.19 USER MOD Single : A 96 THR OG1 : rot -41:sc= 0.608 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.698 -11.496 -2.365 1.00 0.00 N ATOM 133 CA HIS A 13 13.579 -10.598 -1.229 1.00 0.00 C ATOM 134 C HIS A 13 12.563 -9.499 -1.547 1.00 0.00 C ATOM 135 O HIS A 13 12.209 -9.294 -2.707 1.00 0.00 O ATOM 136 CB HIS A 13 14.948 -10.043 -0.830 1.00 0.00 C ATOM 137 CG HIS A 13 15.595 -9.184 -1.889 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.224 -9.713 -3.003 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.702 -7.828 -1.994 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.686 -8.712 -3.737 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.363 -7.545 -3.110 1.00 0.00 N ATOM 0 HA HIS A 13 13.208 -11.147 -0.364 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.839 -9.456 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.612 -10.875 -0.596 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.315 -7.107 -1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.224 -8.804 -4.669 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.592 -6.609 -3.444 1.00 0.00 H new ATOM 149 N THR A 14 12.124 -8.822 -0.497 1.00 0.00 N ATOM 150 CA THR A 14 11.156 -7.750 -0.650 1.00 0.00 C ATOM 151 C THR A 14 11.639 -6.489 0.070 1.00 0.00 C ATOM 152 O THR A 14 12.303 -6.575 1.102 1.00 0.00 O ATOM 153 CB THR A 14 9.804 -8.257 -0.145 1.00 0.00 C ATOM 154 OG1 THR A 14 10.138 -9.099 0.956 1.00 0.00 O ATOM 155 CG2 THR A 14 9.122 -9.198 -1.140 1.00 0.00 C ATOM 0 H THR A 14 12.421 -8.995 0.463 1.00 0.00 H new ATOM 0 HA THR A 14 11.043 -7.466 -1.696 1.00 0.00 H new ATOM 0 HB THR A 14 9.151 -7.408 0.057 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.318 -9.469 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.167 -9.528 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.953 -8.673 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.760 -10.064 -1.317 1.00 0.00 H new ATOM 163 N GLU A 15 11.286 -5.347 -0.502 1.00 0.00 N ATOM 164 CA GLU A 15 11.675 -4.070 0.072 1.00 0.00 C ATOM 165 C GLU A 15 10.435 -3.242 0.414 1.00 0.00 C ATOM 166 O GLU A 15 9.408 -3.351 -0.254 1.00 0.00 O ATOM 167 CB GLU A 15 12.602 -3.304 -0.874 1.00 0.00 C ATOM 168 CG GLU A 15 13.995 -3.936 -0.908 1.00 0.00 C ATOM 169 CD GLU A 15 15.083 -2.863 -0.978 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.080 -1.993 -0.080 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.893 -2.936 -1.927 1.00 0.00 O ATOM 0 H GLU A 15 10.735 -5.280 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 15 12.226 -4.260 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.178 -3.297 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.678 -2.265 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.141 -4.550 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.077 -4.598 -1.770 1.00 0.00 H new ATOM 178 N THR A 16 10.571 -2.433 1.454 1.00 0.00 N ATOM 179 CA THR A 16 9.475 -1.587 1.894 1.00 0.00 C ATOM 180 C THR A 16 9.749 -0.127 1.529 1.00 0.00 C ATOM 181 O THR A 16 10.902 0.301 1.489 1.00 0.00 O ATOM 182 CB THR A 16 9.276 -1.812 3.394 1.00 0.00 C ATOM 183 OG1 THR A 16 10.548 -2.266 3.849 1.00 0.00 O ATOM 184 CG2 THR A 16 8.335 -2.981 3.691 1.00 0.00 C ATOM 0 H THR A 16 11.425 -2.345 2.005 1.00 0.00 H new ATOM 0 HA THR A 16 8.546 -1.847 1.386 1.00 0.00 H new ATOM 0 HB THR A 16 8.880 -0.903 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.509 -2.435 4.814 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.228 -3.097 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.358 -2.783 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.747 -3.897 3.266 1.00 0.00 H new ATOM 192 N THR A 17 8.670 0.598 1.272 1.00 0.00 N ATOM 193 CA THR A 17 8.780 2.001 0.912 1.00 0.00 C ATOM 194 C THR A 17 7.727 2.826 1.654 1.00 0.00 C ATOM 195 O THR A 17 6.591 2.384 1.822 1.00 0.00 O ATOM 196 CB THR A 17 8.673 2.109 -0.611 1.00 0.00 C ATOM 197 OG1 THR A 17 8.961 3.477 -0.883 1.00 0.00 O ATOM 198 CG2 THR A 17 7.240 1.922 -1.112 1.00 0.00 C ATOM 0 H THR A 17 7.716 0.240 1.306 1.00 0.00 H new ATOM 0 HA THR A 17 9.743 2.412 1.215 1.00 0.00 H new ATOM 0 HB THR A 17 9.319 1.363 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.915 3.635 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.220 2.008 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.878 0.936 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.599 2.688 -0.676 1.00 0.00 H new ATOM 206 N GLU A 18 8.141 4.011 2.080 1.00 0.00 N ATOM 207 CA GLU A 18 7.248 4.902 2.800 1.00 0.00 C ATOM 208 C GLU A 18 6.811 6.059 1.899 1.00 0.00 C ATOM 209 O GLU A 18 7.649 6.780 1.360 1.00 0.00 O ATOM 210 CB GLU A 18 7.906 5.421 4.080 1.00 0.00 C ATOM 211 CG GLU A 18 7.005 6.436 4.787 1.00 0.00 C ATOM 212 CD GLU A 18 7.831 7.568 5.400 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.422 7.323 6.474 1.00 0.00 O ATOM 214 OE2 GLU A 18 7.853 8.654 4.781 1.00 0.00 O ATOM 0 H GLU A 18 9.084 4.374 1.940 1.00 0.00 H new ATOM 0 HA GLU A 18 6.361 4.339 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.115 4.587 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.863 5.884 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.288 6.848 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.431 5.936 5.567 1.00 0.00 H new ATOM 221 N VAL A 19 5.501 6.200 1.764 1.00 0.00 N ATOM 222 CA VAL A 19 4.944 7.257 0.938 1.00 0.00 C ATOM 223 C VAL A 19 4.502 8.418 1.831 1.00 0.00 C ATOM 224 O VAL A 19 3.865 8.205 2.862 1.00 0.00 O ATOM 225 CB VAL A 19 3.809 6.703 0.074 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.580 6.377 0.925 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.453 7.674 -1.053 1.00 0.00 C ATOM 0 H VAL A 19 4.809 5.600 2.213 1.00 0.00 H new ATOM 0 HA VAL A 19 5.699 7.643 0.253 1.00 0.00 H new ATOM 0 HB VAL A 19 4.157 5.775 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.789 5.985 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.844 5.631 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.231 7.282 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.644 7.256 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.135 8.625 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.327 7.834 -1.685 1.00 0.00 H new ATOM 237 N VAL A 20 4.858 9.620 1.404 1.00 0.00 N ATOM 238 CA VAL A 20 4.507 10.815 2.152 1.00 0.00 C ATOM 239 C VAL A 20 3.553 11.672 1.318 1.00 0.00 C ATOM 240 O VAL A 20 3.988 12.409 0.434 1.00 0.00 O ATOM 241 CB VAL A 20 5.774 11.563 2.569 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.434 12.939 3.145 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.595 10.740 3.563 1.00 0.00 C ATOM 0 H VAL A 20 5.386 9.792 0.549 1.00 0.00 H new ATOM 0 HA VAL A 20 3.985 10.550 3.072 1.00 0.00 H new ATOM 0 HB VAL A 20 6.382 11.714 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.353 13.450 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.912 13.530 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.795 12.819 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.490 11.295 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.997 10.542 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.883 9.795 3.102 1.00 0.00 H new ATOM 253 N LEU A 21 2.271 11.548 1.628 1.00 0.00 N ATOM 254 CA LEU A 21 1.252 12.302 0.918 1.00 0.00 C ATOM 255 C LEU A 21 0.810 13.488 1.777 1.00 0.00 C ATOM 256 O LEU A 21 0.658 13.357 2.991 1.00 0.00 O ATOM 257 CB LEU A 21 0.103 11.385 0.497 1.00 0.00 C ATOM 258 CG LEU A 21 0.501 10.109 -0.248 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.623 9.072 -0.198 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.928 10.422 -1.683 1.00 0.00 C ATOM 0 H LEU A 21 1.914 10.936 2.362 1.00 0.00 H new ATOM 0 HA LEU A 21 1.657 12.712 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.455 11.102 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.577 11.955 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 21 1.364 9.674 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.315 8.175 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.838 8.818 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.519 9.483 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.206 9.498 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.101 10.893 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.782 11.099 -1.669 1.00 0.00 H new ATOM 272 N THR A 22 0.615 14.618 1.114 1.00 0.00 N ATOM 273 CA THR A 22 0.193 15.826 1.803 1.00 0.00 C ATOM 274 C THR A 22 -1.303 16.067 1.588 1.00 0.00 C ATOM 275 O THR A 22 -1.727 16.419 0.489 1.00 0.00 O ATOM 276 CB THR A 22 1.070 16.980 1.314 1.00 0.00 C ATOM 277 OG1 THR A 22 2.383 16.427 1.278 1.00 0.00 O ATOM 278 CG2 THR A 22 1.171 18.114 2.337 1.00 0.00 C ATOM 0 H THR A 22 0.741 14.723 0.107 1.00 0.00 H new ATOM 0 HA THR A 22 0.324 15.733 2.881 1.00 0.00 H new ATOM 0 HB THR A 22 0.668 17.370 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.016 17.108 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.805 18.907 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.176 18.511 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.604 17.732 3.262 1.00 0.00 H new ATOM 286 N ALA A 23 -2.061 15.869 2.657 1.00 0.00 N ATOM 287 CA ALA A 23 -3.500 16.060 2.600 1.00 0.00 C ATOM 288 C ALA A 23 -3.809 17.339 1.819 1.00 0.00 C ATOM 289 O ALA A 23 -3.767 18.435 2.374 1.00 0.00 O ATOM 290 CB ALA A 23 -4.068 16.093 4.020 1.00 0.00 C ATOM 0 H ALA A 23 -1.705 15.578 3.568 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.977 15.231 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.148 16.236 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.847 15.151 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.615 16.915 4.574 1.00 0.00 H new ATOM 296 N ASP A 24 -4.114 17.155 0.542 1.00 0.00 N ATOM 297 CA ASP A 24 -4.431 18.281 -0.321 1.00 0.00 C ATOM 298 C ASP A 24 -5.491 19.153 0.354 1.00 0.00 C ATOM 299 O ASP A 24 -6.099 18.744 1.343 1.00 0.00 O ATOM 300 CB ASP A 24 -4.993 17.805 -1.662 1.00 0.00 C ATOM 301 CG ASP A 24 -4.230 18.297 -2.893 1.00 0.00 C ATOM 302 OD1 ASP A 24 -3.130 18.856 -2.694 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.764 18.103 -4.007 1.00 0.00 O ATOM 0 H ASP A 24 -4.148 16.244 0.085 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.513 18.843 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.001 16.715 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.030 18.132 -1.741 1.00 0.00 H new ATOM 308 N PRO A 25 -5.687 20.369 -0.222 1.00 0.00 N ATOM 309 CA PRO A 25 -6.664 21.302 0.313 1.00 0.00 C ATOM 310 C PRO A 25 -8.088 20.868 -0.039 1.00 0.00 C ATOM 311 O PRO A 25 -9.056 21.415 0.487 1.00 0.00 O ATOM 312 CB PRO A 25 -6.289 22.649 -0.283 1.00 0.00 C ATOM 313 CG PRO A 25 -5.411 22.343 -1.485 1.00 0.00 C ATOM 314 CD PRO A 25 -4.986 20.886 -1.393 1.00 0.00 C ATOM 0 HA PRO A 25 -6.651 21.346 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.178 23.206 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.757 23.263 0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.956 22.524 -2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.538 22.995 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.260 20.336 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.906 20.795 -1.280 1.00 0.00 H new ATOM 322 N VAL A 26 -8.170 19.888 -0.928 1.00 0.00 N ATOM 323 CA VAL A 26 -9.460 19.374 -1.357 1.00 0.00 C ATOM 324 C VAL A 26 -9.445 17.846 -1.282 1.00 0.00 C ATOM 325 O VAL A 26 -10.243 17.248 -0.561 1.00 0.00 O ATOM 326 CB VAL A 26 -9.795 19.901 -2.754 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.905 19.071 -3.401 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.176 21.382 -2.704 1.00 0.00 C ATOM 0 H VAL A 26 -7.365 19.437 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.251 19.725 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.902 19.805 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.124 19.466 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.581 18.034 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.803 19.120 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.409 21.732 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.048 21.512 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.342 21.959 -2.304 1.00 0.00 H new ATOM 338 N THR A 27 -8.529 17.257 -2.037 1.00 0.00 N ATOM 339 CA THR A 27 -8.400 15.810 -2.066 1.00 0.00 C ATOM 340 C THR A 27 -7.234 15.361 -1.183 1.00 0.00 C ATOM 341 O THR A 27 -6.208 14.907 -1.686 1.00 0.00 O ATOM 342 CB THR A 27 -8.258 15.377 -3.526 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.336 16.313 -4.078 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.540 15.598 -4.331 1.00 0.00 C ATOM 0 H THR A 27 -7.869 17.756 -2.633 1.00 0.00 H new ATOM 0 HA THR A 27 -9.285 15.326 -1.653 1.00 0.00 H new ATOM 0 HB THR A 27 -7.982 14.323 -3.566 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.012 15.983 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.384 15.274 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.352 15.021 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.799 16.657 -4.319 1.00 0.00 H new ATOM 352 N GLY A 28 -7.431 15.503 0.120 1.00 0.00 N ATOM 353 CA GLY A 28 -6.409 15.118 1.078 1.00 0.00 C ATOM 354 C GLY A 28 -5.432 14.114 0.464 1.00 0.00 C ATOM 355 O GLY A 28 -4.385 14.499 -0.055 1.00 0.00 O ATOM 0 H GLY A 28 -8.284 15.879 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.866 16.002 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.878 14.682 1.960 1.00 0.00 H new ATOM 359 N PHE A 29 -5.809 12.846 0.542 1.00 0.00 N ATOM 360 CA PHE A 29 -4.979 11.784 0.000 1.00 0.00 C ATOM 361 C PHE A 29 -5.663 11.106 -1.190 1.00 0.00 C ATOM 362 O PHE A 29 -5.008 10.756 -2.170 1.00 0.00 O ATOM 363 CB PHE A 29 -4.785 10.754 1.115 1.00 0.00 C ATOM 364 CG PHE A 29 -4.344 11.359 2.450 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.296 12.224 2.491 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.999 11.030 3.595 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.886 12.785 3.729 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.590 11.591 4.834 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.542 12.457 4.874 1.00 0.00 C ATOM 0 H PHE A 29 -6.678 12.530 0.972 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.030 12.194 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.720 10.214 1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.042 10.023 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.775 12.484 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.831 10.342 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.053 13.472 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.111 11.330 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.231 12.884 5.816 1.00 0.00 H new ATOM 379 N GLY A 30 -6.972 10.943 -1.064 1.00 0.00 N ATOM 380 CA GLY A 30 -7.752 10.314 -2.117 1.00 0.00 C ATOM 381 C GLY A 30 -7.375 8.839 -2.271 1.00 0.00 C ATOM 382 O GLY A 30 -6.933 8.417 -3.339 1.00 0.00 O ATOM 0 H GLY A 30 -7.512 11.235 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.814 10.400 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.586 10.836 -3.059 1.00 0.00 H new ATOM 386 N ILE A 31 -7.564 8.097 -1.191 1.00 0.00 N ATOM 387 CA ILE A 31 -7.250 6.678 -1.193 1.00 0.00 C ATOM 388 C ILE A 31 -8.450 5.893 -0.659 1.00 0.00 C ATOM 389 O ILE A 31 -9.120 6.335 0.273 1.00 0.00 O ATOM 390 CB ILE A 31 -5.953 6.416 -0.425 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.913 7.499 -0.719 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.417 5.013 -0.718 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.713 7.376 0.222 1.00 0.00 C ATOM 0 H ILE A 31 -7.931 8.451 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.068 6.330 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.173 6.461 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.579 7.416 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.367 8.484 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.495 4.852 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.157 4.271 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.217 4.915 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.989 8.157 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.047 7.483 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.247 6.399 0.091 1.00 0.00 H new ATOM 405 N GLN A 32 -8.685 4.743 -1.273 1.00 0.00 N ATOM 406 CA GLN A 32 -9.792 3.892 -0.871 1.00 0.00 C ATOM 407 C GLN A 32 -9.278 2.514 -0.451 1.00 0.00 C ATOM 408 O GLN A 32 -8.474 1.906 -1.156 1.00 0.00 O ATOM 409 CB GLN A 32 -10.826 3.773 -1.992 1.00 0.00 C ATOM 410 CG GLN A 32 -11.901 4.855 -1.865 1.00 0.00 C ATOM 411 CD GLN A 32 -13.263 4.239 -1.537 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.719 3.304 -2.174 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.884 4.815 -0.512 1.00 0.00 N ATOM 0 H GLN A 32 -8.127 4.380 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.284 4.351 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.331 3.860 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.291 2.788 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.620 5.562 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.967 5.418 -2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.445 5.595 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.800 4.477 -0.215 1.00 0.00 H new ATOM 422 N LEU A 33 -9.762 2.062 0.697 1.00 0.00 N ATOM 423 CA LEU A 33 -9.361 0.767 1.220 1.00 0.00 C ATOM 424 C LEU A 33 -10.443 -0.265 0.898 1.00 0.00 C ATOM 425 O LEU A 33 -11.597 0.092 0.665 1.00 0.00 O ATOM 426 CB LEU A 33 -9.032 0.870 2.710 1.00 0.00 C ATOM 427 CG LEU A 33 -7.947 1.879 3.090 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.614 1.526 2.427 1.00 0.00 C ATOM 429 CD2 LEU A 33 -8.388 3.307 2.765 1.00 0.00 C ATOM 0 H LEU A 33 -10.428 2.570 1.279 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.444 0.428 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.945 1.129 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.724 -0.114 3.062 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.795 1.827 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.860 2.259 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.298 0.534 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.733 1.533 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.598 4.004 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.586 3.393 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.295 3.543 3.322 1.00 0.00 H new ATOM 441 N GLN A 34 -10.033 -1.525 0.896 1.00 0.00 N ATOM 442 CA GLN A 34 -10.953 -2.612 0.607 1.00 0.00 C ATOM 443 C GLN A 34 -11.204 -3.444 1.866 1.00 0.00 C ATOM 444 O GLN A 34 -10.401 -3.424 2.798 1.00 0.00 O ATOM 445 CB GLN A 34 -10.428 -3.486 -0.533 1.00 0.00 C ATOM 446 CG GLN A 34 -9.123 -4.180 -0.135 1.00 0.00 C ATOM 447 CD GLN A 34 -9.355 -5.666 0.144 1.00 0.00 C ATOM 448 OE1 GLN A 34 -10.141 -6.332 -0.510 1.00 0.00 O ATOM 449 NE2 GLN A 34 -8.628 -6.148 1.148 1.00 0.00 N ATOM 0 H GLN A 34 -9.075 -1.817 1.090 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.902 -2.183 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.176 -4.234 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.263 -2.873 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.389 -4.066 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.708 -3.700 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.988 -5.536 1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.710 -7.130 1.411 1.00 0.00 H new ATOM 620 N PRO A 47 -4.877 -3.591 3.759 1.00 0.00 N ATOM 621 CA PRO A 47 -5.981 -2.825 3.207 1.00 0.00 C ATOM 622 C PRO A 47 -5.701 -2.427 1.756 1.00 0.00 C ATOM 623 O PRO A 47 -5.428 -1.263 1.470 1.00 0.00 O ATOM 624 CB PRO A 47 -6.131 -1.629 4.132 1.00 0.00 C ATOM 625 CG PRO A 47 -4.818 -1.522 4.892 1.00 0.00 C ATOM 626 CD PRO A 47 -4.054 -2.820 4.686 1.00 0.00 C ATOM 0 HA PRO A 47 -6.908 -3.396 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.329 -0.719 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.968 -1.767 4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.236 -0.675 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.003 -1.352 5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.062 -2.635 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.914 -3.351 5.628 1.00 0.00 H new ATOM 634 N LEU A 48 -5.780 -3.417 0.879 1.00 0.00 N ATOM 635 CA LEU A 48 -5.539 -3.185 -0.535 1.00 0.00 C ATOM 636 C LEU A 48 -6.153 -1.843 -0.939 1.00 0.00 C ATOM 637 O LEU A 48 -7.274 -1.526 -0.546 1.00 0.00 O ATOM 638 CB LEU A 48 -6.043 -4.367 -1.365 1.00 0.00 C ATOM 639 CG LEU A 48 -4.967 -5.224 -2.036 1.00 0.00 C ATOM 640 CD1 LEU A 48 -4.293 -6.149 -1.021 1.00 0.00 C ATOM 641 CD2 LEU A 48 -5.543 -5.997 -3.223 1.00 0.00 C ATOM 0 H LEU A 48 -6.008 -4.382 1.120 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.469 -3.119 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.641 -5.010 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.709 -3.984 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.196 -4.561 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.533 -6.747 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.826 -5.551 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.039 -6.808 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.758 -6.598 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.344 -6.650 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.938 -5.295 -3.957 1.00 0.00 H new ATOM 653 N ILE A 49 -5.391 -1.091 -1.719 1.00 0.00 N ATOM 654 CA ILE A 49 -5.845 0.209 -2.181 1.00 0.00 C ATOM 655 C ILE A 49 -6.989 0.020 -3.180 1.00 0.00 C ATOM 656 O ILE A 49 -6.767 0.019 -4.390 1.00 0.00 O ATOM 657 CB ILE A 49 -4.673 1.021 -2.735 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.930 1.748 -1.613 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.141 1.983 -3.830 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.650 2.402 -2.136 1.00 0.00 C ATOM 0 H ILE A 49 -4.461 -1.358 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.241 0.791 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.966 0.330 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.578 2.508 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.684 1.043 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.288 2.548 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.589 1.416 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.879 2.671 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.141 2.912 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.994 1.637 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.902 3.124 -2.913 1.00 0.00 H new ATOM 672 N SER A 50 -8.187 -0.137 -2.636 1.00 0.00 N ATOM 673 CA SER A 50 -9.366 -0.327 -3.465 1.00 0.00 C ATOM 674 C SER A 50 -9.293 0.581 -4.694 1.00 0.00 C ATOM 675 O SER A 50 -9.267 0.098 -5.825 1.00 0.00 O ATOM 676 CB SER A 50 -10.645 -0.048 -2.674 1.00 0.00 C ATOM 677 OG SER A 50 -11.804 -0.089 -3.502 1.00 0.00 O ATOM 0 H SER A 50 -8.367 -0.137 -1.632 1.00 0.00 H new ATOM 0 HA SER A 50 -9.392 -1.367 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.744 -0.782 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.572 0.931 -2.200 1.00 0.00 H new ATOM 0 HG SER A 50 -12.600 0.092 -2.960 1.00 0.00 H new ATOM 683 N TYR A 51 -9.262 1.879 -4.431 1.00 0.00 N ATOM 684 CA TYR A 51 -9.193 2.858 -5.502 1.00 0.00 C ATOM 685 C TYR A 51 -8.338 4.059 -5.093 1.00 0.00 C ATOM 686 O TYR A 51 -8.150 4.315 -3.904 1.00 0.00 O ATOM 687 CB TYR A 51 -10.630 3.327 -5.739 1.00 0.00 C ATOM 688 CG TYR A 51 -10.765 4.393 -6.828 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.666 4.038 -8.157 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.987 5.710 -6.480 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.793 5.041 -9.182 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.115 6.713 -7.505 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.012 6.329 -8.805 1.00 0.00 C ATOM 694 OH TYR A 51 -11.132 7.277 -9.773 1.00 0.00 O ATOM 0 H TYR A 51 -9.283 2.275 -3.491 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.744 2.420 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.242 2.467 -6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.031 3.723 -4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.493 3.007 -8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.065 5.988 -5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.716 4.777 -10.226 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.289 7.747 -7.247 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.287 8.151 -9.358 1.00 0.00 H new ATOM 704 N ILE A 52 -7.843 4.764 -6.100 1.00 0.00 N ATOM 705 CA ILE A 52 -7.013 5.932 -5.859 1.00 0.00 C ATOM 706 C ILE A 52 -7.664 7.156 -6.506 1.00 0.00 C ATOM 707 O ILE A 52 -7.697 7.272 -7.730 1.00 0.00 O ATOM 708 CB ILE A 52 -5.580 5.677 -6.329 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.954 4.506 -5.569 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.734 6.947 -6.224 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.939 3.764 -6.442 1.00 0.00 C ATOM 0 H ILE A 52 -8.001 4.549 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.942 6.135 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.611 5.397 -7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.463 4.874 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.735 3.817 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.720 6.738 -6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.172 7.728 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.707 7.281 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.509 2.937 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.438 3.377 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.146 4.450 -6.741 1.00 0.00 H new ATOM 723 N GLU A 53 -8.164 8.040 -5.655 1.00 0.00 N ATOM 724 CA GLU A 53 -8.812 9.252 -6.128 1.00 0.00 C ATOM 725 C GLU A 53 -7.923 9.964 -7.150 1.00 0.00 C ATOM 726 O GLU A 53 -6.701 9.827 -7.117 1.00 0.00 O ATOM 727 CB GLU A 53 -9.159 10.179 -4.962 1.00 0.00 C ATOM 728 CG GLU A 53 -10.581 10.725 -5.101 1.00 0.00 C ATOM 729 CD GLU A 53 -10.612 12.239 -4.878 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.514 12.641 -3.698 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.732 12.959 -5.892 1.00 0.00 O ATOM 0 H GLU A 53 -8.133 7.941 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.745 8.975 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.064 9.637 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.450 11.006 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.968 10.492 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.235 10.234 -4.380 1.00 0.00 H new ATOM 738 N ALA A 54 -8.571 10.709 -8.033 1.00 0.00 N ATOM 739 CA ALA A 54 -7.855 11.443 -9.062 1.00 0.00 C ATOM 740 C ALA A 54 -7.491 12.832 -8.533 1.00 0.00 C ATOM 741 O ALA A 54 -7.970 13.242 -7.477 1.00 0.00 O ATOM 742 CB ALA A 54 -8.708 11.508 -10.331 1.00 0.00 C ATOM 0 H ALA A 54 -9.585 10.820 -8.057 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.926 10.934 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.171 12.059 -11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.914 10.497 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.648 12.014 -10.112 1.00 0.00 H new ATOM 748 N ASP A 55 -6.647 13.517 -9.290 1.00 0.00 N ATOM 749 CA ASP A 55 -6.214 14.851 -8.911 1.00 0.00 C ATOM 750 C ASP A 55 -5.799 14.847 -7.438 1.00 0.00 C ATOM 751 O ASP A 55 -5.837 15.884 -6.776 1.00 0.00 O ATOM 752 CB ASP A 55 -7.345 15.867 -9.081 1.00 0.00 C ATOM 753 CG ASP A 55 -6.932 17.195 -9.717 1.00 0.00 C ATOM 754 OD1 ASP A 55 -6.188 17.136 -10.720 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.368 18.239 -9.187 1.00 0.00 O ATOM 0 H ASP A 55 -6.251 13.173 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.380 15.131 -9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.128 15.417 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.781 16.070 -8.103 1.00 0.00 H new ATOM 760 N SER A 56 -5.412 13.671 -6.968 1.00 0.00 N ATOM 761 CA SER A 56 -4.990 13.519 -5.586 1.00 0.00 C ATOM 762 C SER A 56 -3.473 13.329 -5.520 1.00 0.00 C ATOM 763 O SER A 56 -2.837 13.031 -6.529 1.00 0.00 O ATOM 764 CB SER A 56 -5.702 12.341 -4.919 1.00 0.00 C ATOM 765 OG SER A 56 -4.806 11.273 -4.624 1.00 0.00 O ATOM 0 H SER A 56 -5.382 12.814 -7.520 1.00 0.00 H new ATOM 0 HA SER A 56 -5.260 14.425 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.178 12.679 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.495 11.979 -5.574 1.00 0.00 H new ATOM 0 HG SER A 56 -4.997 10.924 -3.728 1.00 0.00 H new ATOM 771 N PRO A 57 -2.924 13.514 -4.289 1.00 0.00 N ATOM 772 CA PRO A 57 -1.494 13.367 -4.078 1.00 0.00 C ATOM 773 C PRO A 57 -1.090 11.891 -4.074 1.00 0.00 C ATOM 774 O PRO A 57 0.073 11.562 -4.300 1.00 0.00 O ATOM 775 CB PRO A 57 -1.218 14.061 -2.755 1.00 0.00 C ATOM 776 CG PRO A 57 -2.561 14.165 -2.050 1.00 0.00 C ATOM 777 CD PRO A 57 -3.647 13.868 -3.071 1.00 0.00 C ATOM 0 HA PRO A 57 -0.903 13.813 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.506 13.492 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.783 15.048 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.613 13.459 -1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.695 15.161 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.289 13.052 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.289 14.734 -3.229 1.00 0.00 H new ATOM 785 N ALA A 58 -2.074 11.042 -3.816 1.00 0.00 N ATOM 786 CA ALA A 58 -1.835 9.609 -3.779 1.00 0.00 C ATOM 787 C ALA A 58 -1.573 9.104 -5.200 1.00 0.00 C ATOM 788 O ALA A 58 -0.915 8.082 -5.388 1.00 0.00 O ATOM 789 CB ALA A 58 -3.026 8.909 -3.122 1.00 0.00 C ATOM 0 H ALA A 58 -3.038 11.319 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.953 9.382 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.846 7.834 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.152 9.282 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.930 9.111 -3.697 1.00 0.00 H new ATOM 795 N GLU A 59 -2.102 9.844 -6.163 1.00 0.00 N ATOM 796 CA GLU A 59 -1.934 9.484 -7.561 1.00 0.00 C ATOM 797 C GLU A 59 -0.765 10.260 -8.172 1.00 0.00 C ATOM 798 O GLU A 59 0.006 9.711 -8.958 1.00 0.00 O ATOM 799 CB GLU A 59 -3.223 9.724 -8.348 1.00 0.00 C ATOM 800 CG GLU A 59 -3.144 9.089 -9.738 1.00 0.00 C ATOM 801 CD GLU A 59 -3.797 7.705 -9.746 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.042 7.666 -9.850 1.00 0.00 O ATOM 803 OE2 GLU A 59 -3.036 6.718 -9.648 1.00 0.00 O ATOM 0 H GLU A 59 -2.647 10.691 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.707 8.419 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.069 9.308 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.401 10.795 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.639 9.733 -10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.101 9.005 -10.045 1.00 0.00 H new ATOM 810 N ARG A 60 -0.670 11.524 -7.787 1.00 0.00 N ATOM 811 CA ARG A 60 0.391 12.381 -8.288 1.00 0.00 C ATOM 812 C ARG A 60 1.718 11.621 -8.315 1.00 0.00 C ATOM 813 O ARG A 60 2.387 11.570 -9.346 1.00 0.00 O ATOM 814 CB ARG A 60 0.545 13.631 -7.419 1.00 0.00 C ATOM 815 CG ARG A 60 -0.262 14.799 -7.990 1.00 0.00 C ATOM 816 CD ARG A 60 0.295 16.139 -7.505 1.00 0.00 C ATOM 817 NE ARG A 60 -0.719 17.202 -7.684 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.627 18.426 -7.146 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.433 18.749 -6.393 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.595 19.327 -7.362 1.00 0.00 N ATOM 0 H ARG A 60 -1.310 11.975 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 60 0.122 12.686 -9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.211 13.416 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.597 13.908 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.238 14.764 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.306 14.705 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.577 16.067 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.199 16.389 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.539 16.990 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.170 18.063 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.503 19.681 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.402 19.081 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.525 20.259 -6.953 1.00 0.00 H new ATOM 834 N CYS A 61 2.060 11.049 -7.170 1.00 0.00 N ATOM 835 CA CYS A 61 3.296 10.294 -7.050 1.00 0.00 C ATOM 836 C CYS A 61 3.181 9.043 -7.923 1.00 0.00 C ATOM 837 O CYS A 61 4.168 8.596 -8.507 1.00 0.00 O ATOM 838 CB CYS A 61 3.606 9.945 -5.592 1.00 0.00 C ATOM 839 SG CYS A 61 3.423 11.432 -4.541 1.00 0.00 S ATOM 0 H CYS A 61 1.503 11.093 -6.317 1.00 0.00 H new ATOM 0 HA CYS A 61 4.132 10.902 -7.396 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.933 9.160 -5.246 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.620 9.554 -5.511 1.00 0.00 H new ATOM 0 HG CYS A 61 2.161 11.660 -4.328 1.00 0.00 H new ATOM 845 N GLY A 62 1.968 8.513 -7.986 1.00 0.00 N ATOM 846 CA GLY A 62 1.712 7.322 -8.779 1.00 0.00 C ATOM 847 C GLY A 62 2.564 6.148 -8.295 1.00 0.00 C ATOM 848 O GLY A 62 2.809 5.204 -9.045 1.00 0.00 O ATOM 0 H GLY A 62 1.152 8.886 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.656 7.059 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.929 7.525 -9.828 1.00 0.00 H new ATOM 852 N VAL A 63 2.993 6.244 -7.046 1.00 0.00 N ATOM 853 CA VAL A 63 3.813 5.201 -6.453 1.00 0.00 C ATOM 854 C VAL A 63 2.907 4.134 -5.837 1.00 0.00 C ATOM 855 O VAL A 63 3.376 3.066 -5.445 1.00 0.00 O ATOM 856 CB VAL A 63 4.789 5.812 -5.445 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.720 6.819 -6.123 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.039 6.458 -4.278 1.00 0.00 C ATOM 0 H VAL A 63 2.788 7.029 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 63 4.419 4.712 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 63 5.403 5.006 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.403 7.238 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.293 6.317 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.129 7.620 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.756 6.885 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.388 7.246 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.438 5.704 -3.770 1.00 0.00 H new ATOM 868 N LEU A 64 1.624 4.460 -5.769 1.00 0.00 N ATOM 869 CA LEU A 64 0.648 3.542 -5.207 1.00 0.00 C ATOM 870 C LEU A 64 -0.218 2.973 -6.333 1.00 0.00 C ATOM 871 O LEU A 64 -0.833 3.725 -7.088 1.00 0.00 O ATOM 872 CB LEU A 64 -0.156 4.227 -4.100 1.00 0.00 C ATOM 873 CG LEU A 64 0.659 5.002 -3.062 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.043 6.306 -2.677 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.961 4.132 -1.840 1.00 0.00 C ATOM 0 H LEU A 64 1.238 5.347 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 64 1.148 2.698 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.864 4.914 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.742 3.468 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 64 1.616 5.270 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.557 6.838 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.164 6.929 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.023 6.081 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.541 4.707 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.026 3.812 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.532 3.256 -2.149 1.00 0.00 H new ATOM 887 N GLN A 65 -0.239 1.651 -6.409 1.00 0.00 N ATOM 888 CA GLN A 65 -1.019 0.972 -7.430 1.00 0.00 C ATOM 889 C GLN A 65 -2.314 0.422 -6.830 1.00 0.00 C ATOM 890 O GLN A 65 -2.385 0.164 -5.629 1.00 0.00 O ATOM 891 CB GLN A 65 -0.206 -0.141 -8.093 1.00 0.00 C ATOM 892 CG GLN A 65 0.801 0.435 -9.091 1.00 0.00 C ATOM 893 CD GLN A 65 1.082 -0.557 -10.221 1.00 0.00 C ATOM 894 OE1 GLN A 65 0.252 -1.372 -10.586 1.00 0.00 O ATOM 895 NE2 GLN A 65 2.296 -0.441 -10.752 1.00 0.00 N ATOM 0 H GLN A 65 0.272 1.031 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.278 1.696 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.320 -0.715 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.877 -0.831 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.415 1.365 -9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.730 0.678 -8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.942 0.264 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.581 -1.057 -11.513 1.00 0.00 H new ATOM 904 N ILE A 66 -3.306 0.258 -7.693 1.00 0.00 N ATOM 905 CA ILE A 66 -4.595 -0.257 -7.263 1.00 0.00 C ATOM 906 C ILE A 66 -4.434 -1.710 -6.812 1.00 0.00 C ATOM 907 O ILE A 66 -4.283 -2.607 -7.640 1.00 0.00 O ATOM 908 CB ILE A 66 -5.642 -0.066 -8.361 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.903 1.420 -8.618 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.929 -0.825 -8.031 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.694 2.045 -7.467 1.00 0.00 C ATOM 0 H ILE A 66 -3.243 0.473 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.962 0.305 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.247 -0.488 -9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.955 1.944 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.455 1.540 -9.550 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.656 -0.672 -8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.710 -1.889 -7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.338 -0.456 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.866 3.101 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.652 1.535 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.129 1.945 -6.540 1.00 0.00 H new ATOM 923 N GLY A 67 -4.472 -1.898 -5.501 1.00 0.00 N ATOM 924 CA GLY A 67 -4.332 -3.227 -4.931 1.00 0.00 C ATOM 925 C GLY A 67 -2.994 -3.373 -4.203 1.00 0.00 C ATOM 926 O GLY A 67 -2.507 -4.485 -4.010 1.00 0.00 O ATOM 0 H GLY A 67 -4.598 -1.152 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.151 -3.417 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.404 -3.975 -5.721 1.00 0.00 H new ATOM 930 N ASP A 68 -2.439 -2.233 -3.818 1.00 0.00 N ATOM 931 CA ASP A 68 -1.167 -2.220 -3.115 1.00 0.00 C ATOM 932 C ASP A 68 -1.236 -3.182 -1.928 1.00 0.00 C ATOM 933 O ASP A 68 -2.249 -3.848 -1.722 1.00 0.00 O ATOM 934 CB ASP A 68 -0.850 -0.824 -2.575 1.00 0.00 C ATOM 935 CG ASP A 68 -1.777 -0.337 -1.459 1.00 0.00 C ATOM 936 OD1 ASP A 68 -2.875 -0.922 -1.338 1.00 0.00 O ATOM 937 OD2 ASP A 68 -1.366 0.609 -0.753 1.00 0.00 O ATOM 0 H ASP A 68 -2.847 -1.312 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.390 -2.519 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.175 -0.818 -2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.894 -0.113 -3.400 1.00 0.00 H new ATOM 942 N ARG A 69 -0.144 -3.224 -1.177 1.00 0.00 N ATOM 943 CA ARG A 69 -0.068 -4.094 -0.016 1.00 0.00 C ATOM 944 C ARG A 69 0.617 -3.370 1.145 1.00 0.00 C ATOM 945 O ARG A 69 1.713 -3.748 1.557 1.00 0.00 O ATOM 946 CB ARG A 69 0.705 -5.375 -0.336 1.00 0.00 C ATOM 947 CG ARG A 69 1.720 -5.137 -1.456 1.00 0.00 C ATOM 948 CD ARG A 69 1.039 -5.154 -2.826 1.00 0.00 C ATOM 949 NE ARG A 69 1.972 -5.676 -3.849 1.00 0.00 N ATOM 950 CZ ARG A 69 2.890 -4.930 -4.479 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.003 -3.625 -4.194 1.00 0.00 N ATOM 952 NH2 ARG A 69 3.695 -5.488 -5.393 1.00 0.00 N ATOM 0 H ARG A 69 0.694 -2.670 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.087 -4.360 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.220 -5.726 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.009 -6.160 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.216 -4.178 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.493 -5.905 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.144 -5.774 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.718 -4.147 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 69 1.913 -6.665 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.390 -3.200 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.702 -3.057 -4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.609 -6.481 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.393 -4.920 -5.872 1.00 0.00 H new ATOM 966 N VAL A 70 -0.057 -2.342 1.640 1.00 0.00 N ATOM 967 CA VAL A 70 0.473 -1.562 2.745 1.00 0.00 C ATOM 968 C VAL A 70 0.572 -2.448 3.989 1.00 0.00 C ATOM 969 O VAL A 70 -0.443 -2.915 4.505 1.00 0.00 O ATOM 970 CB VAL A 70 -0.387 -0.316 2.966 1.00 0.00 C ATOM 971 CG1 VAL A 70 -1.833 -0.698 3.288 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.204 0.570 4.064 1.00 0.00 C ATOM 0 H VAL A 70 -0.966 -2.031 1.296 1.00 0.00 H new ATOM 0 HA VAL A 70 1.479 -1.210 2.516 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.391 0.257 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.423 0.206 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.252 -1.269 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.856 -1.304 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.426 1.449 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.253 0.009 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.207 0.885 3.777 1.00 0.00 H new ATOM 982 N MET A 71 1.803 -2.654 4.433 1.00 0.00 N ATOM 983 CA MET A 71 2.047 -3.476 5.606 1.00 0.00 C ATOM 984 C MET A 71 1.691 -2.721 6.889 1.00 0.00 C ATOM 985 O MET A 71 1.392 -3.335 7.912 1.00 0.00 O ATOM 986 CB MET A 71 3.521 -3.885 5.646 1.00 0.00 C ATOM 987 CG MET A 71 3.961 -4.479 4.307 1.00 0.00 C ATOM 988 SD MET A 71 3.286 -6.121 4.116 1.00 0.00 S ATOM 989 CE MET A 71 4.228 -6.989 5.359 1.00 0.00 C ATOM 0 H MET A 71 2.642 -2.266 4.002 1.00 0.00 H new ATOM 0 HA MET A 71 1.417 -4.363 5.542 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.137 -3.017 5.883 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.678 -4.614 6.441 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.625 -3.841 3.489 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.049 -4.516 4.256 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.342 -8.033 5.066 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.212 -6.530 5.456 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.706 -6.935 6.314 1.00 0.00 H new ATOM 999 N ALA A 72 1.736 -1.400 6.792 1.00 0.00 N ATOM 1000 CA ALA A 72 1.422 -0.555 7.931 1.00 0.00 C ATOM 1001 C ALA A 72 1.069 0.849 7.437 1.00 0.00 C ATOM 1002 O ALA A 72 1.442 1.234 6.330 1.00 0.00 O ATOM 1003 CB ALA A 72 2.603 -0.551 8.904 1.00 0.00 C ATOM 0 H ALA A 72 1.985 -0.895 5.942 1.00 0.00 H new ATOM 0 HA ALA A 72 0.557 -0.942 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.368 0.083 9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.795 -1.567 9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.489 -0.166 8.399 1.00 0.00 H new ATOM 1009 N ILE A 73 0.354 1.577 8.282 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.054 2.930 7.945 1.00 0.00 C ATOM 1011 C ILE A 73 0.381 3.882 9.062 1.00 0.00 C ATOM 1012 O ILE A 73 -0.144 3.822 10.172 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.553 2.979 7.645 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.884 2.195 6.373 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.051 4.424 7.573 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.376 2.280 6.049 1.00 0.00 C ATOM 0 H ILE A 73 0.047 1.255 9.200 1.00 0.00 H new ATOM 0 HA ILE A 73 0.441 3.261 7.032 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.081 2.497 8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.304 2.588 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.595 1.152 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.120 4.430 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.869 4.919 8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.519 4.953 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.584 1.714 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.952 1.864 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.657 3.322 5.900 1.00 0.00 H new ATOM 1028 N ASN A 74 1.336 4.738 8.727 1.00 0.00 N ATOM 1029 CA ASN A 74 1.847 5.701 9.688 1.00 0.00 C ATOM 1030 C ASN A 74 2.476 4.955 10.866 1.00 0.00 C ATOM 1031 O ASN A 74 2.670 5.529 11.936 1.00 0.00 O ATOM 1032 CB ASN A 74 0.723 6.585 10.233 1.00 0.00 C ATOM 1033 CG ASN A 74 0.929 8.046 9.829 1.00 0.00 C ATOM 1034 OD1 ASN A 74 -0.031 8.532 9.048 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 1.897 8.689 10.201 1.00 0.00 N flip ATOM 0 H ASN A 74 1.769 4.785 7.805 1.00 0.00 H new ATOM 0 HA ASN A 74 2.583 6.325 9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.237 6.232 9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.688 6.506 11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.598 8.254 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.005 9.661 9.912 1.00 0.00 H new ATOM 1042 N GLY A 75 2.777 3.687 10.629 1.00 0.00 N ATOM 1043 CA GLY A 75 3.380 2.856 11.658 1.00 0.00 C ATOM 1044 C GLY A 75 2.369 1.850 12.213 1.00 0.00 C ATOM 1045 O GLY A 75 2.749 0.876 12.861 1.00 0.00 O ATOM 0 H GLY A 75 2.615 3.214 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.238 2.325 11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.753 3.485 12.466 1.00 0.00 H new ATOM 1049 N ILE A 76 1.102 2.121 11.938 1.00 0.00 N ATOM 1050 CA ILE A 76 0.034 1.252 12.402 1.00 0.00 C ATOM 1051 C ILE A 76 0.147 -0.105 11.705 1.00 0.00 C ATOM 1052 O ILE A 76 0.246 -0.172 10.480 1.00 0.00 O ATOM 1053 CB ILE A 76 -1.326 1.927 12.215 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.460 3.152 13.123 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.467 0.930 12.426 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.629 2.735 14.585 1.00 0.00 C ATOM 0 H ILE A 76 0.791 2.930 11.400 1.00 0.00 H new ATOM 0 HA ILE A 76 0.130 1.070 13.473 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.393 2.280 11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.577 3.783 13.021 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.317 3.749 12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.422 1.436 12.287 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.378 0.118 11.705 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.414 0.525 13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.722 3.624 15.209 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.526 2.124 14.688 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.760 2.159 14.902 1.00 0.00 H new ATOM 1068 N PRO A 77 0.130 -1.182 12.536 1.00 0.00 N ATOM 1069 CA PRO A 77 0.229 -2.533 12.012 1.00 0.00 C ATOM 1070 C PRO A 77 -1.086 -2.969 11.363 1.00 0.00 C ATOM 1071 O PRO A 77 -1.842 -3.746 11.945 1.00 0.00 O ATOM 1072 CB PRO A 77 0.615 -3.391 13.206 1.00 0.00 C ATOM 1073 CG PRO A 77 0.264 -2.572 14.438 1.00 0.00 C ATOM 1074 CD PRO A 77 0.014 -1.141 13.990 1.00 0.00 C ATOM 0 HA PRO A 77 0.970 -2.622 11.218 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.074 -4.337 13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.678 -3.632 13.187 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.621 -2.979 14.928 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.076 -2.608 15.165 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.973 -0.796 14.299 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.742 -0.457 14.426 1.00 0.00 H new ATOM 1082 N THR A 78 -1.320 -2.448 10.167 1.00 0.00 N ATOM 1083 CA THR A 78 -2.532 -2.774 9.434 1.00 0.00 C ATOM 1084 C THR A 78 -2.616 -4.281 9.186 1.00 0.00 C ATOM 1085 O THR A 78 -2.204 -4.765 8.132 1.00 0.00 O ATOM 1086 CB THR A 78 -2.542 -1.945 8.148 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.483 -2.497 7.370 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.115 -0.494 8.382 1.00 0.00 C ATOM 0 H THR A 78 -0.692 -1.803 9.688 1.00 0.00 H new ATOM 0 HA THR A 78 -3.423 -2.521 10.009 1.00 0.00 H new ATOM 0 HB THR A 78 -3.541 -1.963 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.723 -3.404 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.140 0.049 7.437 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.798 -0.023 9.089 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.103 -0.473 8.786 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.154 -4.981 10.173 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.298 -6.424 10.076 1.00 0.00 C ATOM 1098 C GLU A 79 -3.952 -6.979 11.343 1.00 0.00 C ATOM 1099 O GLU A 79 -3.418 -7.890 11.973 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.947 -7.094 9.817 1.00 0.00 C ATOM 1101 CG GLU A 79 -0.984 -6.853 10.981 1.00 0.00 C ATOM 1102 CD GLU A 79 0.467 -7.061 10.544 1.00 0.00 C ATOM 1103 OE1 GLU A 79 0.839 -6.467 9.508 1.00 0.00 O ATOM 1104 OE2 GLU A 79 1.173 -7.809 11.254 1.00 0.00 O ATOM 0 H GLU A 79 -3.496 -4.576 11.045 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.946 -6.649 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.090 -8.165 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.514 -6.704 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.112 -5.839 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.222 -7.531 11.801 1.00 0.00 H new ATOM 1111 N ASP A 80 -5.098 -6.406 11.679 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.830 -6.832 12.859 1.00 0.00 C ATOM 1113 C ASP A 80 -6.984 -5.860 13.117 1.00 0.00 C ATOM 1114 O ASP A 80 -8.086 -6.279 13.469 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.929 -6.834 14.096 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.956 -8.126 14.914 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -6.067 -8.499 15.350 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -3.866 -8.713 15.085 1.00 0.00 O ATOM 0 H ASP A 80 -5.538 -5.650 11.154 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.199 -7.842 12.680 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.903 -6.643 13.780 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.223 -6.007 14.742 1.00 0.00 H new ATOM 1123 N SER A 81 -6.691 -4.582 12.932 1.00 0.00 N ATOM 1124 CA SER A 81 -7.690 -3.547 13.140 1.00 0.00 C ATOM 1125 C SER A 81 -8.887 -3.782 12.215 1.00 0.00 C ATOM 1126 O SER A 81 -9.040 -4.866 11.655 1.00 0.00 O ATOM 1127 CB SER A 81 -7.100 -2.156 12.902 1.00 0.00 C ATOM 1128 OG SER A 81 -5.839 -1.994 13.544 1.00 0.00 O ATOM 0 H SER A 81 -5.776 -4.239 12.640 1.00 0.00 H new ATOM 0 HA SER A 81 -8.024 -3.597 14.176 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.986 -1.989 11.831 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.794 -1.400 13.270 1.00 0.00 H new ATOM 0 HG SER A 81 -5.342 -1.269 13.111 1.00 0.00 H new ATOM 1134 N THR A 82 -9.704 -2.748 12.084 1.00 0.00 N ATOM 1135 CA THR A 82 -10.882 -2.828 11.237 1.00 0.00 C ATOM 1136 C THR A 82 -10.745 -1.882 10.042 1.00 0.00 C ATOM 1137 O THR A 82 -9.993 -0.910 10.098 1.00 0.00 O ATOM 1138 CB THR A 82 -12.109 -2.537 12.104 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.125 -1.116 12.217 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.936 -3.023 13.545 1.00 0.00 C ATOM 0 H THR A 82 -9.574 -1.850 12.550 1.00 0.00 H new ATOM 0 HA THR A 82 -10.996 -3.825 10.811 1.00 0.00 H new ATOM 0 HB THR A 82 -12.986 -3.012 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.891 -0.840 12.763 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.835 -2.792 14.117 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.771 -4.100 13.548 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.079 -2.523 13.997 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.482 -2.201 8.989 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.452 -1.392 7.782 1.00 0.00 C ATOM 1150 C PHE A 83 -11.618 0.093 8.113 1.00 0.00 C ATOM 1151 O PHE A 83 -11.196 0.955 7.344 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.627 -1.843 6.912 1.00 0.00 C ATOM 1153 CG PHE A 83 -13.072 -0.805 5.880 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -12.492 -0.777 4.650 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -14.046 0.091 6.192 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -12.904 0.186 3.692 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -14.459 1.054 5.234 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.879 1.082 4.004 1.00 0.00 C ATOM 0 H PHE A 83 -12.104 -3.008 8.946 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.497 -1.519 7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.350 -2.761 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.472 -2.084 7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.718 -1.488 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -14.506 0.070 7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.443 0.207 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -15.234 1.764 5.482 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.192 1.815 3.275 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.235 0.346 9.258 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.462 1.711 9.700 1.00 0.00 C ATOM 1170 C GLU A 84 -11.154 2.334 10.191 1.00 0.00 C ATOM 1171 O GLU A 84 -10.899 3.515 9.959 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.537 1.764 10.787 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.933 1.892 10.172 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.998 1.309 11.103 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.932 0.084 11.344 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.853 2.102 11.554 1.00 0.00 O ATOM 0 H GLU A 84 -12.585 -0.372 9.893 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.822 2.292 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.486 0.863 11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.348 2.609 11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.152 2.941 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.961 1.375 9.213 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.360 1.513 10.862 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.084 1.969 11.388 1.00 0.00 C ATOM 1185 C GLU A 85 -8.294 2.703 10.303 1.00 0.00 C ATOM 1186 O GLU A 85 -8.087 3.912 10.393 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.277 0.800 11.958 1.00 0.00 C ATOM 1188 CG GLU A 85 -7.711 1.146 13.336 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.181 1.104 13.327 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.640 0.325 12.513 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -5.588 1.851 14.134 1.00 0.00 O ATOM 0 H GLU A 85 -10.575 0.535 11.054 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.277 2.666 12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.912 -0.083 12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.462 0.550 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.049 2.139 13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.093 0.444 14.077 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.875 1.942 9.303 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.112 2.505 8.202 1.00 0.00 C ATOM 1200 C ALA A 86 -7.724 3.848 7.798 1.00 0.00 C ATOM 1201 O ALA A 86 -7.052 4.877 7.835 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.077 1.508 7.043 1.00 0.00 C ATOM 0 H ALA A 86 -8.050 0.940 9.232 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.081 2.690 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.505 1.930 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.607 0.582 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.094 1.300 6.711 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.994 3.794 7.422 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.704 4.993 7.012 1.00 0.00 C ATOM 1210 C ASN A 87 -9.509 6.083 8.067 1.00 0.00 C ATOM 1211 O ASN A 87 -9.343 7.255 7.732 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.205 4.727 6.879 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.861 5.739 5.939 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.904 6.930 6.200 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.368 5.201 4.834 1.00 0.00 N ATOM 0 H ASN A 87 -9.549 2.939 7.393 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.306 5.306 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.367 3.717 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.675 4.780 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.827 5.794 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.298 4.196 4.678 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.534 5.658 9.322 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.362 6.584 10.429 1.00 0.00 C ATOM 1224 C GLN A 88 -7.937 7.142 10.438 1.00 0.00 C ATOM 1225 O GLN A 88 -7.732 8.324 10.708 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.695 5.911 11.762 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.840 6.638 12.471 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.151 5.860 12.334 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.540 5.091 13.198 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.808 6.101 11.203 1.00 0.00 N ATOM 0 H GLN A 88 -9.671 4.685 9.597 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.055 7.414 10.294 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.971 4.871 11.590 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.812 5.905 12.401 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.597 6.765 13.526 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.959 7.636 12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.426 6.757 10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.694 5.630 11.017 1.00 0.00 H new ATOM 1239 N LEU A 89 -6.990 6.265 10.138 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.591 6.655 10.108 1.00 0.00 C ATOM 1241 C LEU A 89 -5.427 7.879 9.204 1.00 0.00 C ATOM 1242 O LEU A 89 -4.838 8.880 9.609 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.713 5.470 9.703 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.924 4.177 10.494 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.872 3.130 10.125 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -4.954 4.454 11.999 1.00 0.00 C ATOM 0 H LEU A 89 -7.164 5.285 9.914 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.255 6.945 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.886 5.259 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.669 5.767 9.802 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.896 3.765 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.045 2.221 10.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.942 2.904 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.878 3.518 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.105 3.519 12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.008 4.901 12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.770 5.140 12.227 1.00 0.00 H new ATOM 1258 N LEU A 90 -5.959 7.759 7.997 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.879 8.843 7.032 1.00 0.00 C ATOM 1260 C LEU A 90 -6.446 10.119 7.657 1.00 0.00 C ATOM 1261 O LEU A 90 -5.723 11.095 7.849 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.559 8.445 5.721 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.781 7.477 4.828 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.416 7.380 3.439 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.303 7.866 4.756 1.00 0.00 C ATOM 0 H LEU A 90 -6.447 6.928 7.665 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.840 9.048 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.523 7.995 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.762 9.351 5.150 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.832 6.484 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.843 6.685 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.441 7.022 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.417 8.364 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.772 7.162 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.211 8.871 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.871 7.842 5.757 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.736 10.069 7.958 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.408 11.209 8.557 1.00 0.00 C ATOM 1279 C ARG A 91 -7.500 11.878 9.591 1.00 0.00 C ATOM 1280 O ARG A 91 -7.249 13.080 9.516 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.714 10.785 9.234 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.812 10.536 8.199 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.006 11.464 8.433 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.417 12.093 7.157 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.982 11.429 6.140 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -13.209 10.112 6.243 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -13.322 12.081 5.020 1.00 0.00 N ATOM 0 H ARG A 91 -8.333 9.257 7.798 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.638 11.915 7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.548 9.880 9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.035 11.559 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.415 10.694 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.138 9.497 8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.838 10.900 8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.742 12.233 9.159 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.260 13.095 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.952 9.615 7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.639 9.607 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.151 13.083 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.752 11.575 4.246 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.033 11.071 10.532 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.158 11.570 11.579 1.00 0.00 C ATOM 1303 C ASP A 92 -4.944 12.250 10.943 1.00 0.00 C ATOM 1304 O ASP A 92 -4.672 13.420 11.211 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.650 10.429 12.463 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.182 10.437 13.897 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -7.395 10.694 14.052 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.363 10.184 14.807 1.00 0.00 O ATOM 0 H ASP A 92 -7.244 10.075 10.591 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.728 12.272 12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.919 9.481 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.561 10.471 12.495 1.00 0.00 H new ATOM 1313 N SER A 93 -4.247 11.490 10.111 1.00 0.00 N ATOM 1314 CA SER A 93 -3.069 12.005 9.435 1.00 0.00 C ATOM 1315 C SER A 93 -3.333 13.426 8.934 1.00 0.00 C ATOM 1316 O SER A 93 -2.465 14.293 9.031 1.00 0.00 O ATOM 1317 CB SER A 93 -2.663 11.099 8.270 1.00 0.00 C ATOM 1318 OG SER A 93 -2.343 9.781 8.706 1.00 0.00 O ATOM 0 H SER A 93 -4.476 10.521 9.890 1.00 0.00 H new ATOM 0 HA SER A 93 -2.246 12.025 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.476 11.054 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.803 11.530 7.758 1.00 0.00 H new ATOM 0 HG SER A 93 -1.370 9.685 8.771 1.00 0.00 H new ATOM 1324 N SER A 94 -4.534 13.622 8.411 1.00 0.00 N ATOM 1325 CA SER A 94 -4.923 14.924 7.895 1.00 0.00 C ATOM 1326 C SER A 94 -4.482 16.023 8.863 1.00 0.00 C ATOM 1327 O SER A 94 -4.198 17.145 8.447 1.00 0.00 O ATOM 1328 CB SER A 94 -6.434 14.996 7.663 1.00 0.00 C ATOM 1329 OG SER A 94 -7.123 15.522 8.794 1.00 0.00 O ATOM 0 H SER A 94 -5.251 12.901 8.333 1.00 0.00 H new ATOM 0 HA SER A 94 -4.428 15.073 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.638 15.619 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.814 14.000 7.438 1.00 0.00 H new ATOM 0 HG SER A 94 -7.567 14.793 9.275 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.437 15.662 10.137 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.035 16.604 11.168 1.00 0.00 C ATOM 1337 C ILE A 95 -2.714 17.261 10.765 1.00 0.00 C ATOM 1338 O ILE A 95 -2.669 18.461 10.497 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.989 15.916 12.534 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.395 15.761 13.118 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.050 16.656 13.489 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.423 14.679 14.199 1.00 0.00 C ATOM 0 H ILE A 95 -4.672 14.730 10.479 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.772 17.402 11.264 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.585 14.913 12.398 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.724 16.711 13.540 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.096 15.505 12.324 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.036 16.147 14.453 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.043 16.670 13.071 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.401 17.679 13.625 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.434 14.589 14.598 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.117 13.726 13.768 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.739 14.950 15.003 1.00 0.00 H new ATOM 1354 N THR A 96 -1.669 16.446 10.736 1.00 0.00 N ATOM 1355 CA THR A 96 -0.350 16.933 10.370 1.00 0.00 C ATOM 1356 C THR A 96 -0.284 17.219 8.868 1.00 0.00 C ATOM 1357 O THR A 96 0.729 17.706 8.369 1.00 0.00 O ATOM 1358 CB THR A 96 0.680 15.904 10.839 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.936 16.509 10.540 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.667 14.633 9.987 1.00 0.00 C ATOM 0 H THR A 96 -1.709 15.452 10.960 1.00 0.00 H new ATOM 0 HA THR A 96 -0.129 17.882 10.859 1.00 0.00 H new ATOM 0 HB THR A 96 0.487 15.646 11.880 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.889 16.943 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.416 13.936 10.362 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.318 14.170 10.040 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.894 14.887 8.951 1.00 0.00 H new ATOM 1368 N SER A 97 -1.378 16.904 8.190 1.00 0.00 N ATOM 1369 CA SER A 97 -1.457 17.120 6.755 1.00 0.00 C ATOM 1370 C SER A 97 -0.445 16.227 6.035 1.00 0.00 C ATOM 1371 O SER A 97 -0.020 16.536 4.923 1.00 0.00 O ATOM 1372 CB SER A 97 -1.212 18.589 6.406 1.00 0.00 C ATOM 1373 OG SER A 97 -2.427 19.330 6.330 1.00 0.00 O ATOM 0 H SER A 97 -2.217 16.501 8.608 1.00 0.00 H new ATOM 0 HA SER A 97 -2.462 16.858 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.561 19.036 7.157 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.688 18.652 5.452 1.00 0.00 H new ATOM 0 HG SER A 97 -2.228 20.263 6.107 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.089 15.136 6.698 1.00 0.00 N ATOM 1380 CA LYS A 98 0.865 14.196 6.134 1.00 0.00 C ATOM 1381 C LYS A 98 0.504 12.779 6.584 1.00 0.00 C ATOM 1382 O LYS A 98 0.189 12.556 7.752 1.00 0.00 O ATOM 1383 CB LYS A 98 2.295 14.608 6.487 1.00 0.00 C ATOM 1384 CG LYS A 98 3.246 14.344 5.317 1.00 0.00 C ATOM 1385 CD LYS A 98 4.483 15.240 5.403 1.00 0.00 C ATOM 1386 CE LYS A 98 4.710 15.989 4.088 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.838 16.937 4.220 1.00 0.00 N ATOM 0 H LYS A 98 -0.444 14.882 7.620 1.00 0.00 H new ATOM 0 HA LYS A 98 0.814 14.208 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.319 15.666 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.630 14.056 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.550 13.297 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.728 14.523 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.363 15.955 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.359 14.635 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.917 15.278 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.805 16.528 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.979 17.437 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.626 17.627 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.703 16.415 4.465 1.00 0.00 H new ATOM 1401 N VAL A 99 0.563 11.858 5.634 1.00 0.00 N ATOM 1402 CA VAL A 99 0.247 10.468 5.919 1.00 0.00 C ATOM 1403 C VAL A 99 1.402 9.581 5.450 1.00 0.00 C ATOM 1404 O VAL A 99 2.097 9.915 4.492 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.092 10.095 5.279 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.973 10.038 3.754 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.616 8.771 5.838 1.00 0.00 C ATOM 0 H VAL A 99 0.825 12.046 4.666 1.00 0.00 H new ATOM 0 HA VAL A 99 0.134 10.313 6.992 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.813 10.873 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.938 9.771 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.665 11.013 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.231 9.290 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.569 8.529 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.897 7.979 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.757 8.861 6.915 1.00 0.00 H new ATOM 1417 N THR A 100 1.571 8.467 6.148 1.00 0.00 N ATOM 1418 CA THR A 100 2.630 7.529 5.815 1.00 0.00 C ATOM 1419 C THR A 100 2.050 6.133 5.578 1.00 0.00 C ATOM 1420 O THR A 100 1.280 5.630 6.395 1.00 0.00 O ATOM 1421 CB THR A 100 3.670 7.573 6.936 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.582 8.587 6.524 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.523 6.304 6.994 1.00 0.00 C ATOM 0 H THR A 100 0.993 8.193 6.942 1.00 0.00 H new ATOM 0 HA THR A 100 3.124 7.804 4.883 1.00 0.00 H new ATOM 0 HB THR A 100 3.167 7.715 7.892 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.289 8.683 7.195 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.245 6.387 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.880 5.441 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.053 6.178 6.050 1.00 0.00 H new ATOM 1431 N LEU A 101 2.443 5.547 4.457 1.00 0.00 N ATOM 1432 CA LEU A 101 1.972 4.219 4.102 1.00 0.00 C ATOM 1433 C LEU A 101 3.174 3.311 3.833 1.00 0.00 C ATOM 1434 O LEU A 101 3.978 3.587 2.945 1.00 0.00 O ATOM 1435 CB LEU A 101 0.985 4.294 2.935 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.177 5.275 3.102 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.661 5.788 1.744 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.312 4.648 3.915 1.00 0.00 C ATOM 0 H LEU A 101 3.082 5.967 3.782 1.00 0.00 H new ATOM 0 HA LEU A 101 1.417 3.778 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.537 4.565 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.573 3.299 2.769 1.00 0.00 H new ATOM 0 HG LEU A 101 0.183 6.138 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.487 6.483 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.157 6.299 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.998 4.948 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.125 5.366 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.677 3.758 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.943 4.373 4.903 1.00 0.00 H new ATOM 1450 N GLU A 102 3.258 2.247 4.618 1.00 0.00 N ATOM 1451 CA GLU A 102 4.348 1.297 4.476 1.00 0.00 C ATOM 1452 C GLU A 102 3.975 0.207 3.468 1.00 0.00 C ATOM 1453 O GLU A 102 3.182 -0.681 3.775 1.00 0.00 O ATOM 1454 CB GLU A 102 4.725 0.688 5.828 1.00 0.00 C ATOM 1455 CG GLU A 102 6.142 0.111 5.794 1.00 0.00 C ATOM 1456 CD GLU A 102 6.966 0.612 6.982 1.00 0.00 C ATOM 1457 OE1 GLU A 102 7.573 1.694 6.835 1.00 0.00 O ATOM 1458 OE2 GLU A 102 6.970 -0.099 8.010 1.00 0.00 O ATOM 0 H GLU A 102 2.589 2.022 5.354 1.00 0.00 H new ATOM 0 HA GLU A 102 5.221 1.830 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.657 1.449 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.015 -0.097 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.096 -0.978 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.632 0.394 4.862 1.00 0.00 H new ATOM 1465 N ILE A 103 4.565 0.312 2.286 1.00 0.00 N ATOM 1466 CA ILE A 103 4.304 -0.654 1.232 1.00 0.00 C ATOM 1467 C ILE A 103 5.446 -1.671 1.184 1.00 0.00 C ATOM 1468 O ILE A 103 6.493 -1.463 1.795 1.00 0.00 O ATOM 1469 CB ILE A 103 4.060 0.060 -0.099 1.00 0.00 C ATOM 1470 CG1 ILE A 103 3.013 1.165 0.055 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.681 -0.939 -1.195 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.596 0.598 -0.045 1.00 0.00 C ATOM 0 H ILE A 103 5.222 1.051 2.035 1.00 0.00 H new ATOM 0 HA ILE A 103 3.390 -1.210 1.442 1.00 0.00 H new ATOM 0 HB ILE A 103 4.990 0.538 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.142 1.662 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.161 1.921 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.513 -0.406 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.489 -1.658 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.770 -1.465 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.872 1.405 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.462 0.124 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.443 -0.140 0.743 1.00 0.00 H new ATOM 1484 N GLU A 104 5.205 -2.749 0.453 1.00 0.00 N ATOM 1485 CA GLU A 104 6.200 -3.799 0.317 1.00 0.00 C ATOM 1486 C GLU A 104 6.159 -4.391 -1.093 1.00 0.00 C ATOM 1487 O GLU A 104 5.115 -4.862 -1.542 1.00 0.00 O ATOM 1488 CB GLU A 104 5.997 -4.886 1.374 1.00 0.00 C ATOM 1489 CG GLU A 104 6.695 -6.185 0.966 1.00 0.00 C ATOM 1490 CD GLU A 104 7.125 -6.987 2.196 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.918 -6.432 2.986 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.650 -8.137 2.318 1.00 0.00 O ATOM 0 H GLU A 104 4.335 -2.918 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 104 7.185 -3.361 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.388 -4.544 2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.931 -5.069 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.023 -6.786 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.567 -5.956 0.354 1.00 0.00 H new ATOM 1499 N PHE A 105 7.307 -4.347 -1.752 1.00 0.00 N ATOM 1500 CA PHE A 105 7.415 -4.873 -3.103 1.00 0.00 C ATOM 1501 C PHE A 105 8.546 -5.899 -3.202 1.00 0.00 C ATOM 1502 O PHE A 105 9.294 -6.098 -2.247 1.00 0.00 O ATOM 1503 CB PHE A 105 7.734 -3.690 -4.019 1.00 0.00 C ATOM 1504 CG PHE A 105 8.902 -2.826 -3.537 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.746 -2.012 -2.459 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.096 -2.873 -4.186 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.829 -1.210 -2.012 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.180 -2.072 -3.739 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.023 -1.257 -2.661 1.00 0.00 C ATOM 0 H PHE A 105 8.171 -3.955 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 105 6.486 -5.367 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.962 -4.067 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.846 -3.064 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.798 -1.976 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.220 -3.520 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.704 -0.563 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.128 -2.110 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.847 -0.647 -2.321 1.00 0.00 H new ATOM 1519 N ASP A 106 8.634 -6.524 -4.367 1.00 0.00 N ATOM 1520 CA ASP A 106 9.660 -7.525 -4.604 1.00 0.00 C ATOM 1521 C ASP A 106 10.771 -6.916 -5.462 1.00 0.00 C ATOM 1522 O ASP A 106 10.529 -5.986 -6.229 1.00 0.00 O ATOM 1523 CB ASP A 106 9.090 -8.730 -5.355 1.00 0.00 C ATOM 1524 CG ASP A 106 7.671 -9.133 -4.949 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.533 -9.676 -3.832 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.757 -8.889 -5.765 1.00 0.00 O ATOM 0 H ASP A 106 8.011 -6.356 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 106 10.044 -7.851 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.098 -8.511 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 106 9.752 -9.582 -5.200 1.00 0.00 H new