USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 37 GLN :FLIP amide:sc= -2.5! C(o=-3.8!,f=-2.8!) USER MOD Set 1.2: A 53 CYS SG : rot 180:sc= -0.281 USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= 0 F(o=0.4,f=1.1) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 164:sc= 1.11 (180deg=1.08) USER MOD Single : A 17 ASN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -161:sc= 0.195 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -109:sc= -1.91 (180deg=-4.74!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= 0.988 (180deg=-0.682) USER MOD Single : A 36 SER OG : rot 180:sc= -0.034 USER MOD Single : A 42 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-0.927) USER MOD Single : A 46 ASN : amide:sc= -0.893 K(o=-0.89,f=-2.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 40:sc= 0.854 USER MOD Single : A 66 ASN : amide:sc= -4.73! C(o=-4.7!,f=-6.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.742 F(o=-1.3,f=-0.74) USER MOD Single : A 74 CYS SG : rot 180:sc=-0.00197 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0745 F(o=-0.71,f=-0.075) USER MOD Single : A 84 GLN : amide:sc= -0.334 K(o=-0.33,f=-5.7!) USER MOD Single : A 85 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-5.5!) USER MOD Single : A 91 TYR OH : rot 80:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.152 5.559 -12.825 1.00 0.00 N ATOM 181 CA ILE A 16 4.402 5.714 -11.585 1.00 0.00 C ATOM 182 C ILE A 16 4.956 6.861 -10.747 1.00 0.00 C ATOM 183 O ILE A 16 6.168 7.001 -10.591 1.00 0.00 O ATOM 184 CB ILE A 16 4.427 4.422 -10.746 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.915 3.241 -11.574 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.594 4.593 -9.485 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.193 1.895 -10.942 1.00 0.00 C ATOM 0 HA ILE A 16 3.372 5.936 -11.865 1.00 0.00 H new ATOM 0 HB ILE A 16 5.456 4.216 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.840 3.349 -11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.377 3.272 -12.561 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.622 3.672 -8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.999 5.411 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.563 4.819 -9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.803 1.104 -11.583 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.268 1.766 -10.820 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.708 1.844 -9.967 1.00 0.00 H new ATOM 199 N ASN A 17 4.058 7.680 -10.208 1.00 0.00 N ATOM 200 CA ASN A 17 4.457 8.815 -9.384 1.00 0.00 C ATOM 201 C ASN A 17 4.136 8.560 -7.914 1.00 0.00 C ATOM 202 O ASN A 17 2.987 8.678 -7.490 1.00 0.00 O ATOM 203 CB ASN A 17 3.752 10.088 -9.858 1.00 0.00 C ATOM 204 CG ASN A 17 4.523 11.344 -9.499 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.351 11.820 -10.275 1.00 0.00 O ATOM 206 ND2 ASN A 17 4.253 11.886 -8.317 1.00 0.00 N ATOM 0 H ASN A 17 3.050 7.579 -10.327 1.00 0.00 H new ATOM 0 HA ASN A 17 5.535 8.945 -9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.617 10.044 -10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.758 10.136 -9.414 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.740 12.732 -8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.558 11.457 -7.706 1.00 0.00 H new ATOM 213 N ILE A 18 5.161 8.211 -7.143 1.00 0.00 N ATOM 214 CA ILE A 18 4.988 7.941 -5.722 1.00 0.00 C ATOM 215 C ILE A 18 4.983 9.234 -4.913 1.00 0.00 C ATOM 216 O ILE A 18 5.800 10.126 -5.143 1.00 0.00 O ATOM 217 CB ILE A 18 6.099 7.018 -5.185 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.291 5.820 -6.118 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.764 6.551 -3.776 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.108 4.878 -6.145 1.00 0.00 C ATOM 0 H ILE A 18 6.119 8.109 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 18 4.026 7.442 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 18 7.033 7.580 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.479 6.183 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.178 5.267 -5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.558 5.900 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.672 7.415 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.822 6.003 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.315 4.053 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.933 4.485 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.222 5.416 -6.484 1.00 0.00 H new ATOM 232 N THR A 19 4.058 9.328 -3.963 1.00 0.00 N ATOM 233 CA THR A 19 3.946 10.511 -3.120 1.00 0.00 C ATOM 234 C THR A 19 3.745 10.127 -1.658 1.00 0.00 C ATOM 235 O THR A 19 3.281 9.028 -1.353 1.00 0.00 O ATOM 236 CB THR A 19 2.779 11.412 -3.567 1.00 0.00 C ATOM 237 OG1 THR A 19 1.548 10.683 -3.512 1.00 0.00 O ATOM 238 CG2 THR A 19 3.006 11.928 -4.980 1.00 0.00 C ATOM 0 H THR A 19 3.375 8.598 -3.758 1.00 0.00 H new ATOM 0 HA THR A 19 4.881 11.062 -3.224 1.00 0.00 H new ATOM 0 HB THR A 19 2.726 12.264 -2.889 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.811 11.263 -3.796 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.170 12.562 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.929 12.507 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.082 11.085 -5.667 1.00 0.00 H new ATOM 246 N ALA A 20 4.096 11.039 -0.758 1.00 0.00 N ATOM 247 CA ALA A 20 3.951 10.796 0.672 1.00 0.00 C ATOM 248 C ALA A 20 2.581 10.208 0.993 1.00 0.00 C ATOM 249 O ALA A 20 2.454 9.344 1.860 1.00 0.00 O ATOM 250 CB ALA A 20 4.170 12.085 1.451 1.00 0.00 C ATOM 0 H ALA A 20 4.483 11.953 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 20 4.708 10.070 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.059 11.889 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.173 12.463 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.435 12.827 1.140 1.00 0.00 H new ATOM 256 N ALA A 21 1.559 10.684 0.290 1.00 0.00 N ATOM 257 CA ALA A 21 0.198 10.204 0.499 1.00 0.00 C ATOM 258 C ALA A 21 0.158 8.681 0.566 1.00 0.00 C ATOM 259 O ALA A 21 -0.641 8.104 1.305 1.00 0.00 O ATOM 260 CB ALA A 21 -0.716 10.710 -0.606 1.00 0.00 C ATOM 0 H ALA A 21 1.647 11.402 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.156 10.593 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.729 10.344 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.719 11.800 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.356 10.349 -1.570 1.00 0.00 H new ATOM 266 N ILE A 22 1.022 8.036 -0.210 1.00 0.00 N ATOM 267 CA ILE A 22 1.084 6.580 -0.238 1.00 0.00 C ATOM 268 C ILE A 22 1.002 5.999 1.170 1.00 0.00 C ATOM 269 O ILE A 22 0.429 4.930 1.379 1.00 0.00 O ATOM 270 CB ILE A 22 2.378 6.084 -0.911 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.358 4.560 -1.043 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.595 6.537 -0.117 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.279 4.035 -2.122 1.00 0.00 C ATOM 0 H ILE A 22 1.689 8.499 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 22 0.228 6.239 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 22 2.439 6.515 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.641 4.117 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.340 4.235 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.502 6.179 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.614 7.626 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.542 6.131 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.213 2.948 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.984 4.449 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.305 4.329 -1.900 1.00 0.00 H new ATOM 285 N TYR A 23 1.577 6.712 2.132 1.00 0.00 N ATOM 286 CA TYR A 23 1.570 6.267 3.521 1.00 0.00 C ATOM 287 C TYR A 23 0.153 6.274 4.087 1.00 0.00 C ATOM 288 O TYR A 23 -0.285 5.303 4.706 1.00 0.00 O ATOM 289 CB TYR A 23 2.475 7.162 4.370 1.00 0.00 C ATOM 290 CG TYR A 23 3.935 7.086 3.984 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.646 5.900 4.110 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.602 8.201 3.492 1.00 0.00 C ATOM 293 CE1 TYR A 23 5.981 5.827 3.760 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.936 8.137 3.138 1.00 0.00 C ATOM 295 CZ TYR A 23 6.621 6.948 3.274 1.00 0.00 C ATOM 296 OH TYR A 23 7.949 6.878 2.923 1.00 0.00 O ATOM 0 H TYR A 23 2.054 7.600 1.976 1.00 0.00 H new ATOM 0 HA TYR A 23 1.949 5.246 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.138 8.195 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.370 6.881 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.147 5.020 4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.069 9.134 3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.520 4.897 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.439 9.013 2.757 1.00 0.00 H new ATOM 0 HH TYR A 23 8.328 7.781 2.895 1.00 0.00 H new ATOM 306 N ASP A 24 -0.558 7.375 3.871 1.00 0.00 N ATOM 307 CA ASP A 24 -1.926 7.509 4.358 1.00 0.00 C ATOM 308 C ASP A 24 -2.815 6.404 3.794 1.00 0.00 C ATOM 309 O ASP A 24 -3.552 5.751 4.531 1.00 0.00 O ATOM 310 CB ASP A 24 -2.493 8.878 3.980 1.00 0.00 C ATOM 311 CG ASP A 24 -2.210 9.932 5.033 1.00 0.00 C ATOM 312 OD1 ASP A 24 -1.073 9.964 5.549 1.00 0.00 O ATOM 313 OD2 ASP A 24 -3.125 10.724 5.341 1.00 0.00 O ATOM 0 H ASP A 24 -0.210 8.188 3.362 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.909 7.418 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.066 9.195 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.570 8.794 3.834 1.00 0.00 H new ATOM 318 N GLU A 25 -2.739 6.203 2.482 1.00 0.00 N ATOM 319 CA GLU A 25 -3.538 5.178 1.820 1.00 0.00 C ATOM 320 C GLU A 25 -3.349 3.822 2.492 1.00 0.00 C ATOM 321 O GLU A 25 -4.295 3.045 2.623 1.00 0.00 O ATOM 322 CB GLU A 25 -3.161 5.083 0.340 1.00 0.00 C ATOM 323 CG GLU A 25 -3.272 6.404 -0.402 1.00 0.00 C ATOM 324 CD GLU A 25 -3.599 6.222 -1.872 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.795 6.067 -2.198 1.00 0.00 O ATOM 326 OE2 GLU A 25 -2.661 6.235 -2.695 1.00 0.00 O ATOM 0 H GLU A 25 -2.133 6.735 1.857 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.587 5.462 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.139 4.714 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.805 4.349 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.044 7.015 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.333 6.950 -0.307 1.00 0.00 H new ATOM 333 N ILE A 26 -2.120 3.544 2.916 1.00 0.00 N ATOM 334 CA ILE A 26 -1.807 2.283 3.575 1.00 0.00 C ATOM 335 C ILE A 26 -2.572 2.143 4.887 1.00 0.00 C ATOM 336 O ILE A 26 -3.108 1.078 5.193 1.00 0.00 O ATOM 337 CB ILE A 26 -0.299 2.154 3.858 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.490 2.162 2.547 1.00 0.00 C ATOM 339 CG2 ILE A 26 -0.013 0.885 4.647 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.918 2.637 2.703 1.00 0.00 C ATOM 0 H ILE A 26 -1.326 4.176 2.814 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.110 1.488 2.893 1.00 0.00 H new ATOM 0 HB ILE A 26 0.017 3.008 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.494 1.155 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.021 2.803 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.057 0.809 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.550 0.917 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.341 0.018 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.416 2.616 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.922 3.655 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.446 1.982 3.396 1.00 0.00 H new ATOM 352 N GLN A 27 -2.619 3.225 5.657 1.00 0.00 N ATOM 353 CA GLN A 27 -3.320 3.223 6.935 1.00 0.00 C ATOM 354 C GLN A 27 -4.794 2.879 6.748 1.00 0.00 C ATOM 355 O GLN A 27 -5.304 1.940 7.357 1.00 0.00 O ATOM 356 CB GLN A 27 -3.185 4.586 7.617 1.00 0.00 C ATOM 357 CG GLN A 27 -1.743 5.015 7.838 1.00 0.00 C ATOM 358 CD GLN A 27 -1.620 6.159 8.825 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.624 7.385 8.314 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 -1.521 5.944 10.033 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.180 4.114 5.418 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.866 2.461 7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.690 5.338 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.697 4.554 8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.166 4.164 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.307 5.314 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.522 4.986 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.438 6.724 10.685 1.00 0.00 H new ATOM 369 N GLN A 28 -5.472 3.647 5.901 1.00 0.00 N ATOM 370 CA GLN A 28 -6.888 3.423 5.634 1.00 0.00 C ATOM 371 C GLN A 28 -7.110 2.070 4.967 1.00 0.00 C ATOM 372 O GLN A 28 -7.948 1.282 5.405 1.00 0.00 O ATOM 373 CB GLN A 28 -7.445 4.539 4.748 1.00 0.00 C ATOM 374 CG GLN A 28 -7.417 5.909 5.405 1.00 0.00 C ATOM 375 CD GLN A 28 -8.042 6.985 4.539 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.138 7.469 4.824 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.347 7.365 3.473 1.00 0.00 N ATOM 0 H GLN A 28 -5.064 4.429 5.388 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.416 3.428 6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.871 4.577 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.472 4.297 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.946 5.862 6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.385 6.180 5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.443 6.937 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.718 8.085 2.853 1.00 0.00 H new ATOM 386 N GLU A 29 -6.353 1.807 3.906 1.00 0.00 N ATOM 387 CA GLU A 29 -6.468 0.549 3.179 1.00 0.00 C ATOM 388 C GLU A 29 -6.518 -0.634 4.142 1.00 0.00 C ATOM 389 O GLU A 29 -7.171 -1.641 3.871 1.00 0.00 O ATOM 390 CB GLU A 29 -5.294 0.384 2.212 1.00 0.00 C ATOM 391 CG GLU A 29 -5.457 -0.781 1.250 1.00 0.00 C ATOM 392 CD GLU A 29 -6.666 -0.628 0.347 1.00 0.00 C ATOM 393 OE1 GLU A 29 -6.612 0.204 -0.582 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.667 -1.340 0.571 1.00 0.00 O ATOM 0 H GLU A 29 -5.654 2.448 3.531 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.398 0.572 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.174 1.303 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.378 0.245 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.560 -0.870 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.548 -1.707 1.818 1.00 0.00 H new ATOM 401 N MET A 30 -5.823 -0.503 5.267 1.00 0.00 N ATOM 402 CA MET A 30 -5.789 -1.560 6.271 1.00 0.00 C ATOM 403 C MET A 30 -7.121 -1.653 7.008 1.00 0.00 C ATOM 404 O MET A 30 -7.771 -2.699 7.007 1.00 0.00 O ATOM 405 CB MET A 30 -4.657 -1.308 7.269 1.00 0.00 C ATOM 406 CG MET A 30 -3.335 -1.935 6.859 1.00 0.00 C ATOM 407 SD MET A 30 -2.070 -1.785 8.136 1.00 0.00 S ATOM 408 CE MET A 30 -1.406 -0.164 7.766 1.00 0.00 C ATOM 0 H MET A 30 -5.276 0.324 5.506 1.00 0.00 H new ATOM 0 HA MET A 30 -5.610 -2.506 5.761 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.519 -0.233 7.386 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.949 -1.700 8.243 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.492 -2.989 6.631 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.980 -1.460 5.944 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.405 -0.268 7.348 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.051 0.337 7.044 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.357 0.427 8.681 1.00 0.00 H new ATOM 418 N LYS A 31 -7.523 -0.554 7.637 1.00 0.00 N ATOM 419 CA LYS A 31 -8.778 -0.511 8.377 1.00 0.00 C ATOM 420 C LYS A 31 -9.956 -0.853 7.471 1.00 0.00 C ATOM 421 O LYS A 31 -10.985 -1.347 7.934 1.00 0.00 O ATOM 422 CB LYS A 31 -8.982 0.874 8.996 1.00 0.00 C ATOM 423 CG LYS A 31 -9.728 1.840 8.092 1.00 0.00 C ATOM 424 CD LYS A 31 -11.229 1.766 8.316 1.00 0.00 C ATOM 425 CE LYS A 31 -11.986 2.611 7.302 1.00 0.00 C ATOM 426 NZ LYS A 31 -11.957 4.058 7.654 1.00 0.00 N ATOM 0 H LYS A 31 -6.997 0.320 7.649 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.727 -1.254 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.531 0.767 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.009 1.299 9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.381 2.856 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.503 1.612 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.558 0.729 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.465 2.107 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.550 2.469 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.020 2.271 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.483 4.600 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.396 4.197 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.971 4.389 7.682 1.00 0.00 H new ATOM 440 N ARG A 32 -9.799 -0.588 6.178 1.00 0.00 N ATOM 441 CA ARG A 32 -10.850 -0.868 5.208 1.00 0.00 C ATOM 442 C ARG A 32 -10.835 -2.339 4.799 1.00 0.00 C ATOM 443 O ARG A 32 -11.885 -2.949 4.603 1.00 0.00 O ATOM 444 CB ARG A 32 -10.682 0.017 3.972 1.00 0.00 C ATOM 445 CG ARG A 32 -11.994 0.362 3.286 1.00 0.00 C ATOM 446 CD ARG A 32 -12.607 1.629 3.862 1.00 0.00 C ATOM 447 NE ARG A 32 -13.723 2.114 3.054 1.00 0.00 N ATOM 448 CZ ARG A 32 -14.567 3.056 3.457 1.00 0.00 C ATOM 449 NH1 ARG A 32 -14.424 3.613 4.652 1.00 0.00 N ATOM 450 NH2 ARG A 32 -15.558 3.444 2.664 1.00 0.00 N ATOM 0 H ARG A 32 -8.954 -0.180 5.778 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.809 -0.648 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.180 0.940 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.031 -0.489 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.824 0.492 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.694 -0.466 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.952 1.435 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.843 2.404 3.927 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.861 1.706 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.664 3.318 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.074 4.337 4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.672 3.018 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.206 4.168 2.975 1.00 0.00 H new ATOM 464 N ALA A 33 -9.637 -2.900 4.672 1.00 0.00 N ATOM 465 CA ALA A 33 -9.485 -4.298 4.289 1.00 0.00 C ATOM 466 C ALA A 33 -9.497 -5.207 5.513 1.00 0.00 C ATOM 467 O ALA A 33 -9.566 -6.430 5.390 1.00 0.00 O ATOM 468 CB ALA A 33 -8.200 -4.491 3.497 1.00 0.00 C ATOM 0 H ALA A 33 -8.758 -2.408 4.829 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.331 -4.571 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.099 -5.540 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.232 -3.877 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.348 -4.195 4.109 1.00 0.00 H new ATOM 474 N LYS A 34 -9.428 -4.603 6.694 1.00 0.00 N ATOM 475 CA LYS A 34 -9.431 -5.357 7.941 1.00 0.00 C ATOM 476 C LYS A 34 -8.156 -6.183 8.081 1.00 0.00 C ATOM 477 O LYS A 34 -8.194 -7.333 8.518 1.00 0.00 O ATOM 478 CB LYS A 34 -10.654 -6.275 8.003 1.00 0.00 C ATOM 479 CG LYS A 34 -11.897 -5.675 7.369 1.00 0.00 C ATOM 480 CD LYS A 34 -12.681 -4.835 8.363 1.00 0.00 C ATOM 481 CE LYS A 34 -11.781 -3.849 9.092 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.549 -2.700 9.645 1.00 0.00 N ATOM 0 H LYS A 34 -9.369 -3.592 6.814 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.475 -4.646 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.419 -7.214 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.867 -6.513 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.610 -5.059 6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.532 -6.473 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.469 -4.292 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.169 -5.487 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.262 -4.362 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.018 -3.479 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.207 -1.816 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.559 -2.821 9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.418 -2.659 10.676 1.00 0.00 H new ATOM 496 N VAL A 35 -7.027 -5.588 7.709 1.00 0.00 N ATOM 497 CA VAL A 35 -5.740 -6.267 7.796 1.00 0.00 C ATOM 498 C VAL A 35 -4.812 -5.564 8.780 1.00 0.00 C ATOM 499 O VAL A 35 -5.185 -4.565 9.395 1.00 0.00 O ATOM 500 CB VAL A 35 -5.050 -6.340 6.420 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.952 -7.027 5.406 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.663 -4.948 5.945 1.00 0.00 C ATOM 0 H VAL A 35 -6.978 -4.637 7.344 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.940 -7.279 8.149 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.140 -6.931 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.448 -7.069 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.174 -8.039 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.881 -6.466 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.177 -5.018 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.557 -4.331 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.977 -4.497 6.662 1.00 0.00 H new ATOM 512 N SER A 36 -3.601 -6.093 8.925 1.00 0.00 N ATOM 513 CA SER A 36 -2.621 -5.518 9.838 1.00 0.00 C ATOM 514 C SER A 36 -1.368 -5.081 9.085 1.00 0.00 C ATOM 515 O SER A 36 -1.043 -5.628 8.031 1.00 0.00 O ATOM 516 CB SER A 36 -2.249 -6.529 10.924 1.00 0.00 C ATOM 517 OG SER A 36 -1.040 -6.167 11.567 1.00 0.00 O ATOM 0 H SER A 36 -3.276 -6.918 8.422 1.00 0.00 H new ATOM 0 HA SER A 36 -3.068 -4.641 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.051 -6.589 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.147 -7.520 10.482 1.00 0.00 H new ATOM 0 HG SER A 36 -0.826 -6.829 12.258 1.00 0.00 H new ATOM 523 N GLN A 37 -0.670 -4.092 9.633 1.00 0.00 N ATOM 524 CA GLN A 37 0.547 -3.581 9.013 1.00 0.00 C ATOM 525 C GLN A 37 1.425 -4.723 8.513 1.00 0.00 C ATOM 526 O GLN A 37 2.087 -4.605 7.483 1.00 0.00 O ATOM 527 CB GLN A 37 1.328 -2.719 10.007 1.00 0.00 C ATOM 528 CG GLN A 37 0.449 -2.037 11.043 1.00 0.00 C ATOM 529 CD GLN A 37 1.071 -0.768 11.592 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.483 0.124 10.699 1.00 0.00 O flip ATOM 531 NE2 GLN A 37 1.181 -0.592 12.805 1.00 0.00 N flip ATOM 0 H GLN A 37 -0.926 -3.629 10.505 1.00 0.00 H new ATOM 0 HA GLN A 37 0.259 -2.968 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.061 -3.343 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.884 -1.959 9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.516 -1.800 10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.258 -2.728 11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.851 -1.305 13.456 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.603 0.266 13.160 1.00 0.00 H new ATOM 540 N ALA A 38 1.424 -5.829 9.250 1.00 0.00 N ATOM 541 CA ALA A 38 2.219 -6.994 8.881 1.00 0.00 C ATOM 542 C ALA A 38 1.691 -7.636 7.602 1.00 0.00 C ATOM 543 O ALA A 38 2.463 -8.009 6.718 1.00 0.00 O ATOM 544 CB ALA A 38 2.231 -8.006 10.016 1.00 0.00 C ATOM 0 H ALA A 38 0.881 -5.943 10.106 1.00 0.00 H new ATOM 0 HA ALA A 38 3.240 -6.662 8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.828 -8.871 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.662 -7.549 10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.211 -8.325 10.230 1.00 0.00 H new ATOM 550 N LEU A 39 0.372 -7.761 7.510 1.00 0.00 N ATOM 551 CA LEU A 39 -0.260 -8.359 6.339 1.00 0.00 C ATOM 552 C LEU A 39 -0.111 -7.455 5.119 1.00 0.00 C ATOM 553 O LEU A 39 0.529 -7.824 4.135 1.00 0.00 O ATOM 554 CB LEU A 39 -1.741 -8.625 6.614 1.00 0.00 C ATOM 555 CG LEU A 39 -2.527 -9.282 5.479 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.818 -10.538 4.996 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.944 -9.606 5.929 1.00 0.00 C ATOM 0 H LEU A 39 -0.281 -7.456 8.232 1.00 0.00 H new ATOM 0 HA LEU A 39 0.239 -9.305 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.818 -9.260 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.220 -7.677 6.860 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.584 -8.579 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.392 -10.992 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.824 -10.278 4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.729 -11.246 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.489 -10.073 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.909 -10.290 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.451 -8.687 6.225 1.00 0.00 H new ATOM 569 N PHE A 40 -0.706 -6.269 5.192 1.00 0.00 N ATOM 570 CA PHE A 40 -0.639 -5.311 4.095 1.00 0.00 C ATOM 571 C PHE A 40 0.777 -5.228 3.531 1.00 0.00 C ATOM 572 O PHE A 40 0.968 -5.093 2.323 1.00 0.00 O ATOM 573 CB PHE A 40 -1.094 -3.929 4.567 1.00 0.00 C ATOM 574 CG PHE A 40 -0.922 -2.855 3.532 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.341 -2.400 3.189 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.024 -2.300 2.901 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.502 -1.412 2.237 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.869 -1.311 1.947 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.605 -0.867 1.615 1.00 0.00 C ATOM 0 H PHE A 40 -1.240 -5.948 6.000 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.307 -5.655 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.144 -3.980 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.531 -3.655 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.210 -2.823 3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.015 -2.644 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.492 -1.066 1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.736 -0.887 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.481 -0.095 0.870 1.00 0.00 H new ATOM 589 N ALA A 41 1.765 -5.310 4.416 1.00 0.00 N ATOM 590 CA ALA A 41 3.163 -5.245 4.008 1.00 0.00 C ATOM 591 C ALA A 41 3.648 -6.597 3.496 1.00 0.00 C ATOM 592 O ALA A 41 4.593 -6.672 2.711 1.00 0.00 O ATOM 593 CB ALA A 41 4.030 -4.775 5.166 1.00 0.00 C ATOM 0 H ALA A 41 1.623 -5.422 5.420 1.00 0.00 H new ATOM 0 HA ALA A 41 3.245 -4.526 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.071 -4.731 4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.706 -3.784 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.935 -5.472 5.998 1.00 0.00 H new ATOM 599 N LYS A 42 2.997 -7.664 3.947 1.00 0.00 N ATOM 600 CA LYS A 42 3.361 -9.014 3.534 1.00 0.00 C ATOM 601 C LYS A 42 2.727 -9.362 2.191 1.00 0.00 C ATOM 602 O LYS A 42 3.247 -10.192 1.445 1.00 0.00 O ATOM 603 CB LYS A 42 2.925 -10.028 4.594 1.00 0.00 C ATOM 604 CG LYS A 42 3.332 -11.456 4.274 1.00 0.00 C ATOM 605 CD LYS A 42 2.276 -12.164 3.443 1.00 0.00 C ATOM 606 CE LYS A 42 2.879 -13.290 2.617 1.00 0.00 C ATOM 607 NZ LYS A 42 3.498 -12.785 1.360 1.00 0.00 N ATOM 0 H LYS A 42 2.214 -7.620 4.599 1.00 0.00 H new ATOM 0 HA LYS A 42 4.445 -9.054 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.354 -9.744 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.841 -9.984 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.279 -11.453 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.495 -12.005 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.504 -12.566 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.790 -11.446 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.631 -13.812 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.104 -14.017 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.126 -13.321 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.271 -11.777 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.530 -12.904 1.409 1.00 0.00 H new ATOM 621 N VAL A 43 1.602 -8.722 1.889 1.00 0.00 N ATOM 622 CA VAL A 43 0.899 -8.963 0.634 1.00 0.00 C ATOM 623 C VAL A 43 1.180 -7.854 -0.374 1.00 0.00 C ATOM 624 O VAL A 43 0.927 -8.009 -1.569 1.00 0.00 O ATOM 625 CB VAL A 43 -0.621 -9.068 0.854 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.964 -10.341 1.613 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.139 -7.842 1.591 1.00 0.00 C ATOM 0 H VAL A 43 1.158 -8.033 2.496 1.00 0.00 H new ATOM 0 HA VAL A 43 1.268 -9.910 0.241 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.109 -9.111 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.043 -10.398 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.629 -11.207 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.466 -10.332 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.215 -7.933 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.646 -7.765 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.928 -6.948 1.004 1.00 0.00 H new ATOM 637 N ALA A 44 1.706 -6.736 0.115 1.00 0.00 N ATOM 638 CA ALA A 44 2.024 -5.602 -0.744 1.00 0.00 C ATOM 639 C ALA A 44 3.490 -5.624 -1.161 1.00 0.00 C ATOM 640 O ALA A 44 3.807 -5.758 -2.342 1.00 0.00 O ATOM 641 CB ALA A 44 1.694 -4.296 -0.037 1.00 0.00 C ATOM 0 H ALA A 44 1.921 -6.591 1.102 1.00 0.00 H new ATOM 0 HA ALA A 44 1.416 -5.678 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.936 -3.457 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.632 -4.272 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.277 -4.222 0.881 1.00 0.00 H new ATOM 647 N ALA A 45 4.381 -5.490 -0.184 1.00 0.00 N ATOM 648 CA ALA A 45 5.814 -5.495 -0.450 1.00 0.00 C ATOM 649 C ALA A 45 6.455 -6.796 0.023 1.00 0.00 C ATOM 650 O ALA A 45 7.632 -7.047 -0.231 1.00 0.00 O ATOM 651 CB ALA A 45 6.480 -4.303 0.220 1.00 0.00 C ATOM 0 H ALA A 45 4.135 -5.377 0.799 1.00 0.00 H new ATOM 0 HA ALA A 45 5.959 -5.419 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.550 -4.320 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.050 -3.380 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.318 -4.354 1.297 1.00 0.00 H new ATOM 657 N ASN A 46 5.672 -7.620 0.712 1.00 0.00 N ATOM 658 CA ASN A 46 6.165 -8.895 1.221 1.00 0.00 C ATOM 659 C ASN A 46 7.246 -8.678 2.276 1.00 0.00 C ATOM 660 O ASN A 46 8.134 -9.512 2.451 1.00 0.00 O ATOM 661 CB ASN A 46 6.717 -9.746 0.076 1.00 0.00 C ATOM 662 CG ASN A 46 6.840 -11.210 0.452 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.919 -11.556 1.631 1.00 0.00 O ATOM 664 ND2 ASN A 46 6.856 -12.079 -0.553 1.00 0.00 N ATOM 0 H ASN A 46 4.694 -7.428 0.931 1.00 0.00 H new ATOM 0 HA ASN A 46 5.330 -9.420 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.065 -9.650 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.695 -9.365 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.936 -13.078 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.788 -11.747 -1.515 1.00 0.00 H new ATOM 671 N LYS A 47 7.163 -7.552 2.977 1.00 0.00 N ATOM 672 CA LYS A 47 8.132 -7.225 4.017 1.00 0.00 C ATOM 673 C LYS A 47 7.567 -7.525 5.401 1.00 0.00 C ATOM 674 O LYS A 47 6.444 -8.013 5.532 1.00 0.00 O ATOM 675 CB LYS A 47 8.530 -5.750 3.925 1.00 0.00 C ATOM 676 CG LYS A 47 9.678 -5.488 2.965 1.00 0.00 C ATOM 677 CD LYS A 47 11.024 -5.610 3.659 1.00 0.00 C ATOM 678 CE LYS A 47 12.063 -4.699 3.023 1.00 0.00 C ATOM 679 NZ LYS A 47 13.364 -4.754 3.744 1.00 0.00 N ATOM 0 H LYS A 47 6.435 -6.850 2.844 1.00 0.00 H new ATOM 0 HA LYS A 47 9.016 -7.844 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.664 -5.168 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.809 -5.395 4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.629 -6.195 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.577 -4.490 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.915 -5.358 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.367 -6.644 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.212 -4.988 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.693 -3.674 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.045 -4.120 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.227 -4.453 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.730 -5.727 3.726 1.00 0.00 H new ATOM 693 N SER A 48 8.351 -7.229 6.433 1.00 0.00 N ATOM 694 CA SER A 48 7.929 -7.470 7.808 1.00 0.00 C ATOM 695 C SER A 48 7.252 -6.234 8.392 1.00 0.00 C ATOM 696 O SER A 48 7.594 -5.104 8.045 1.00 0.00 O ATOM 697 CB SER A 48 9.130 -7.863 8.671 1.00 0.00 C ATOM 698 OG SER A 48 9.341 -9.264 8.642 1.00 0.00 O ATOM 0 H SER A 48 9.282 -6.822 6.343 1.00 0.00 H new ATOM 0 HA SER A 48 7.210 -8.289 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.023 -7.350 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.966 -7.538 9.698 1.00 0.00 H new ATOM 0 HG SER A 48 10.115 -9.490 9.199 1.00 0.00 H new ATOM 704 N GLN A 49 6.290 -6.459 9.281 1.00 0.00 N ATOM 705 CA GLN A 49 5.563 -5.364 9.913 1.00 0.00 C ATOM 706 C GLN A 49 6.502 -4.210 10.250 1.00 0.00 C ATOM 707 O GLN A 49 6.252 -3.064 9.879 1.00 0.00 O ATOM 708 CB GLN A 49 4.863 -5.854 11.182 1.00 0.00 C ATOM 709 CG GLN A 49 3.648 -5.024 11.565 1.00 0.00 C ATOM 710 CD GLN A 49 3.058 -5.437 12.899 1.00 0.00 C ATOM 711 OE1 GLN A 49 2.852 -6.622 13.160 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.782 -4.457 13.753 1.00 0.00 N ATOM 0 H GLN A 49 5.996 -7.389 9.580 1.00 0.00 H new ATOM 0 HA GLN A 49 4.813 -5.005 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.555 -6.890 11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.575 -5.843 12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.930 -3.972 11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.888 -5.120 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.969 -3.488 13.495 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.383 -4.674 14.666 1.00 0.00 H new ATOM 721 N GLY A 50 7.586 -4.522 10.955 1.00 0.00 N ATOM 722 CA GLY A 50 8.546 -3.500 11.330 1.00 0.00 C ATOM 723 C GLY A 50 8.888 -2.575 10.179 1.00 0.00 C ATOM 724 O GLY A 50 9.072 -1.374 10.373 1.00 0.00 O ATOM 0 H GLY A 50 7.816 -5.464 11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.144 -2.914 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.457 -3.977 11.692 1.00 0.00 H new ATOM 728 N TRP A 51 8.976 -3.136 8.978 1.00 0.00 N ATOM 729 CA TRP A 51 9.301 -2.353 7.791 1.00 0.00 C ATOM 730 C TRP A 51 8.128 -1.467 7.386 1.00 0.00 C ATOM 731 O TRP A 51 8.318 -0.395 6.809 1.00 0.00 O ATOM 732 CB TRP A 51 9.680 -3.278 6.634 1.00 0.00 C ATOM 733 CG TRP A 51 10.006 -2.543 5.369 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.249 -2.199 4.918 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.076 -2.061 4.394 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.146 -1.531 3.721 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.824 -1.435 3.378 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.684 -2.099 4.279 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.225 -0.851 2.264 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.090 -1.519 3.173 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.860 -0.903 2.178 1.00 0.00 C ATOM 0 H TRP A 51 8.827 -4.129 8.801 1.00 0.00 H new ATOM 0 HA TRP A 51 10.151 -1.713 8.029 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.539 -3.881 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.857 -3.967 6.444 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.176 -2.419 5.427 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.928 -1.166 3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.082 -2.573 5.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.816 -0.374 1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.015 -1.541 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.366 -0.460 1.326 1.00 0.00 H new ATOM 752 N LEU A 52 6.917 -1.919 7.692 1.00 0.00 N ATOM 753 CA LEU A 52 5.713 -1.165 7.360 1.00 0.00 C ATOM 754 C LEU A 52 5.413 -0.119 8.428 1.00 0.00 C ATOM 755 O LEU A 52 5.345 1.076 8.139 1.00 0.00 O ATOM 756 CB LEU A 52 4.521 -2.112 7.208 1.00 0.00 C ATOM 757 CG LEU A 52 3.258 -1.508 6.592 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.775 -0.325 7.417 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.516 -1.087 5.153 1.00 0.00 C ATOM 0 H LEU A 52 6.743 -2.803 8.169 1.00 0.00 H new ATOM 0 HA LEU A 52 5.885 -0.652 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.831 -2.958 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.268 -2.507 8.192 1.00 0.00 H new ATOM 0 HG LEU A 52 2.477 -2.268 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.876 0.092 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.550 -0.656 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.553 0.438 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.607 -0.659 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.312 -0.343 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.814 -1.957 4.567 1.00 0.00 H new ATOM 771 N CYS A 53 5.237 -0.576 9.663 1.00 0.00 N ATOM 772 CA CYS A 53 4.946 0.321 10.776 1.00 0.00 C ATOM 773 C CYS A 53 5.809 1.577 10.702 1.00 0.00 C ATOM 774 O CYS A 53 5.303 2.695 10.792 1.00 0.00 O ATOM 775 CB CYS A 53 5.177 -0.393 12.108 1.00 0.00 C ATOM 776 SG CYS A 53 4.150 0.220 13.463 1.00 0.00 S ATOM 0 H CYS A 53 5.291 -1.562 9.919 1.00 0.00 H new ATOM 0 HA CYS A 53 3.899 0.617 10.708 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.986 -1.458 11.975 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.226 -0.290 12.386 1.00 0.00 H new ATOM 0 HG CYS A 53 4.417 -0.448 14.546 1.00 0.00 H new ATOM 782 N GLU A 54 7.114 1.383 10.539 1.00 0.00 N ATOM 783 CA GLU A 54 8.047 2.501 10.456 1.00 0.00 C ATOM 784 C GLU A 54 7.618 3.488 9.373 1.00 0.00 C ATOM 785 O GLU A 54 7.451 4.680 9.635 1.00 0.00 O ATOM 786 CB GLU A 54 9.461 1.993 10.167 1.00 0.00 C ATOM 787 CG GLU A 54 10.023 1.101 11.262 1.00 0.00 C ATOM 788 CD GLU A 54 11.088 0.152 10.751 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.023 -0.229 9.563 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.987 -0.211 11.538 1.00 0.00 O ATOM 0 H GLU A 54 7.549 0.464 10.462 1.00 0.00 H new ATOM 0 HA GLU A 54 8.043 3.017 11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.455 1.440 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.124 2.847 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.444 1.723 12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.212 0.525 11.708 1.00 0.00 H new ATOM 797 N LEU A 55 7.443 2.984 8.157 1.00 0.00 N ATOM 798 CA LEU A 55 7.035 3.820 7.034 1.00 0.00 C ATOM 799 C LEU A 55 5.942 4.798 7.452 1.00 0.00 C ATOM 800 O LEU A 55 5.957 5.966 7.061 1.00 0.00 O ATOM 801 CB LEU A 55 6.540 2.949 5.877 1.00 0.00 C ATOM 802 CG LEU A 55 7.597 2.524 4.857 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.930 2.272 5.543 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.141 1.285 4.101 1.00 0.00 C ATOM 0 H LEU A 55 7.577 2.000 7.923 1.00 0.00 H new ATOM 0 HA LEU A 55 7.903 4.392 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.084 2.051 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.754 3.491 5.351 1.00 0.00 H new ATOM 0 HG LEU A 55 7.729 3.334 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.670 1.971 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.263 3.185 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.814 1.480 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.906 0.997 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.980 0.468 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.210 1.501 3.577 1.00 0.00 H new ATOM 816 N LEU A 56 4.996 4.315 8.250 1.00 0.00 N ATOM 817 CA LEU A 56 3.896 5.147 8.724 1.00 0.00 C ATOM 818 C LEU A 56 4.347 6.041 9.875 1.00 0.00 C ATOM 819 O LEU A 56 3.769 7.102 10.113 1.00 0.00 O ATOM 820 CB LEU A 56 2.725 4.271 9.172 1.00 0.00 C ATOM 821 CG LEU A 56 2.376 3.097 8.257 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.158 2.354 8.783 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.133 3.583 6.835 1.00 0.00 C ATOM 0 H LEU A 56 4.969 3.351 8.582 1.00 0.00 H new ATOM 0 HA LEU A 56 3.572 5.783 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.950 3.878 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.842 4.903 9.272 1.00 0.00 H new ATOM 0 HG LEU A 56 3.220 2.407 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.925 1.522 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.368 1.973 9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.307 3.034 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.886 2.734 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.306 4.294 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.032 4.070 6.458 1.00 0.00 H new ATOM 835 N ARG A 57 5.383 5.607 10.584 1.00 0.00 N ATOM 836 CA ARG A 57 5.912 6.368 11.709 1.00 0.00 C ATOM 837 C ARG A 57 6.767 7.535 11.223 1.00 0.00 C ATOM 838 O ARG A 57 6.488 8.693 11.533 1.00 0.00 O ATOM 839 CB ARG A 57 6.739 5.462 12.623 1.00 0.00 C ATOM 840 CG ARG A 57 7.569 6.221 13.645 1.00 0.00 C ATOM 841 CD ARG A 57 8.408 5.278 14.492 1.00 0.00 C ATOM 842 NE ARG A 57 8.637 5.805 15.835 1.00 0.00 N ATOM 843 CZ ARG A 57 7.758 5.701 16.825 1.00 0.00 C ATOM 844 NH1 ARG A 57 6.597 5.092 16.624 1.00 0.00 N ATOM 845 NH2 ARG A 57 8.039 6.207 18.019 1.00 0.00 N ATOM 0 H ARG A 57 5.873 4.732 10.399 1.00 0.00 H new ATOM 0 HA ARG A 57 5.069 6.768 12.272 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.069 4.780 13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.402 4.851 12.011 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.221 6.929 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.911 6.803 14.290 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.908 4.312 14.562 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.366 5.106 14.002 1.00 0.00 H new ATOM 0 HE ARG A 57 9.521 6.279 16.023 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.378 4.702 15.707 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.924 5.013 17.386 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.931 6.676 18.177 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.363 6.127 18.779 1.00 0.00 H new ATOM 859 N TRP A 58 7.807 7.220 10.460 1.00 0.00 N ATOM 860 CA TRP A 58 8.703 8.242 9.931 1.00 0.00 C ATOM 861 C TRP A 58 8.075 8.951 8.736 1.00 0.00 C ATOM 862 O TRP A 58 8.088 10.179 8.652 1.00 0.00 O ATOM 863 CB TRP A 58 10.039 7.618 9.524 1.00 0.00 C ATOM 864 CG TRP A 58 10.714 6.880 10.641 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.615 5.546 10.919 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.588 7.434 11.630 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.376 5.238 12.021 1.00 0.00 N ATOM 868 CE2 TRP A 58 11.983 6.379 12.475 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.077 8.718 11.882 1.00 0.00 C ATOM 870 CZ2 TRP A 58 12.843 6.571 13.553 1.00 0.00 C ATOM 871 CZ3 TRP A 58 12.930 8.908 12.953 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.307 7.839 13.777 1.00 0.00 C ATOM 0 H TRP A 58 8.051 6.266 10.194 1.00 0.00 H new ATOM 0 HA TRP A 58 8.878 8.978 10.716 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.874 6.933 8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.704 8.403 9.163 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.025 4.838 10.356 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.473 4.310 12.434 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.794 9.548 11.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.134 5.749 14.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.312 9.897 13.158 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.977 8.019 14.605 1.00 0.00 H new ATOM 883 N LYS A 59 7.526 8.170 7.812 1.00 0.00 N ATOM 884 CA LYS A 59 6.891 8.723 6.621 1.00 0.00 C ATOM 885 C LYS A 59 7.864 9.604 5.845 1.00 0.00 C ATOM 886 O LYS A 59 7.539 10.736 5.487 1.00 0.00 O ATOM 887 CB LYS A 59 5.651 9.532 7.009 1.00 0.00 C ATOM 888 CG LYS A 59 4.541 8.691 7.616 1.00 0.00 C ATOM 889 CD LYS A 59 3.212 9.427 7.602 1.00 0.00 C ATOM 890 CE LYS A 59 2.041 8.466 7.738 1.00 0.00 C ATOM 891 NZ LYS A 59 1.668 8.243 9.162 1.00 0.00 N ATOM 0 H LYS A 59 7.508 7.152 7.865 1.00 0.00 H new ATOM 0 HA LYS A 59 6.591 7.893 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.940 10.305 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.268 10.040 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.446 7.757 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.802 8.428 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.187 10.150 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.116 9.990 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.182 8.861 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.298 7.513 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.722 7.814 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.360 7.606 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.661 9.153 9.666 1.00 0.00 H new ATOM 905 N GLU A 60 9.057 9.077 5.588 1.00 0.00 N ATOM 906 CA GLU A 60 10.076 9.817 4.853 1.00 0.00 C ATOM 907 C GLU A 60 9.525 10.330 3.526 1.00 0.00 C ATOM 908 O GLU A 60 8.446 9.928 3.093 1.00 0.00 O ATOM 909 CB GLU A 60 11.299 8.933 4.603 1.00 0.00 C ATOM 910 CG GLU A 60 12.352 9.028 5.694 1.00 0.00 C ATOM 911 CD GLU A 60 12.147 8.003 6.793 1.00 0.00 C ATOM 912 OE1 GLU A 60 11.613 6.914 6.496 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.520 8.290 7.949 1.00 0.00 O ATOM 0 H GLU A 60 9.341 8.141 5.878 1.00 0.00 H new ATOM 0 HA GLU A 60 10.374 10.673 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.975 7.896 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.749 9.211 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.340 8.891 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.332 10.028 6.127 1.00 0.00 H new ATOM 920 N ASN A 61 10.275 11.221 2.885 1.00 0.00 N ATOM 921 CA ASN A 61 9.862 11.790 1.607 1.00 0.00 C ATOM 922 C ASN A 61 10.238 10.866 0.453 1.00 0.00 C ATOM 923 O ASN A 61 11.412 10.665 0.144 1.00 0.00 O ATOM 924 CB ASN A 61 10.504 13.164 1.406 1.00 0.00 C ATOM 925 CG ASN A 61 10.544 13.576 -0.053 1.00 0.00 C ATOM 926 OD1 ASN A 61 9.505 13.733 -0.694 1.00 0.00 O ATOM 927 ND2 ASN A 61 11.748 13.751 -0.586 1.00 0.00 N ATOM 0 H ASN A 61 11.172 11.564 3.230 1.00 0.00 H new ATOM 0 HA ASN A 61 8.778 11.902 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.948 13.909 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.518 13.150 1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.838 14.027 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.583 13.610 -0.017 1.00 0.00 H new ATOM 934 N PRO A 62 9.218 10.292 -0.201 1.00 0.00 N ATOM 935 CA PRO A 62 9.416 9.381 -1.332 1.00 0.00 C ATOM 936 C PRO A 62 9.934 10.100 -2.573 1.00 0.00 C ATOM 937 O PRO A 62 9.533 11.228 -2.860 1.00 0.00 O ATOM 938 CB PRO A 62 8.014 8.820 -1.586 1.00 0.00 C ATOM 939 CG PRO A 62 7.088 9.862 -1.059 1.00 0.00 C ATOM 940 CD PRO A 62 7.792 10.487 0.113 1.00 0.00 C ATOM 0 HA PRO A 62 10.163 8.618 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.846 8.641 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.870 7.868 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.864 10.607 -1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.138 9.422 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.544 11.544 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.517 10.004 1.051 1.00 0.00 H new ATOM 948 N SER A 63 10.826 9.441 -3.305 1.00 0.00 N ATOM 949 CA SER A 63 11.401 10.020 -4.513 1.00 0.00 C ATOM 950 C SER A 63 12.079 8.948 -5.360 1.00 0.00 C ATOM 951 O SER A 63 12.440 7.875 -4.876 1.00 0.00 O ATOM 952 CB SER A 63 12.410 11.112 -4.151 1.00 0.00 C ATOM 953 OG SER A 63 11.780 12.378 -4.060 1.00 0.00 O ATOM 0 H SER A 63 11.166 8.506 -3.083 1.00 0.00 H new ATOM 0 HA SER A 63 10.592 10.461 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.887 10.870 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.198 11.148 -4.903 1.00 0.00 H new ATOM 0 HG SER A 63 10.905 12.278 -3.630 1.00 0.00 H new ATOM 959 N PRO A 64 12.256 9.243 -6.657 1.00 0.00 N ATOM 960 CA PRO A 64 12.891 8.318 -7.600 1.00 0.00 C ATOM 961 C PRO A 64 14.383 8.152 -7.333 1.00 0.00 C ATOM 962 O PRO A 64 15.069 7.408 -8.033 1.00 0.00 O ATOM 963 CB PRO A 64 12.661 8.983 -8.959 1.00 0.00 C ATOM 964 CG PRO A 64 12.511 10.433 -8.650 1.00 0.00 C ATOM 965 CD PRO A 64 11.849 10.503 -7.301 1.00 0.00 C ATOM 0 HA PRO A 64 12.476 7.313 -7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.499 8.806 -9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.770 8.588 -9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.480 10.931 -8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.907 10.933 -9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.184 11.371 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.765 10.578 -7.388 1.00 0.00 H new ATOM 973 N GLU A 65 14.879 8.849 -6.316 1.00 0.00 N ATOM 974 CA GLU A 65 16.291 8.779 -5.958 1.00 0.00 C ATOM 975 C GLU A 65 16.546 7.642 -4.972 1.00 0.00 C ATOM 976 O GLU A 65 17.566 6.958 -5.048 1.00 0.00 O ATOM 977 CB GLU A 65 16.754 10.106 -5.353 1.00 0.00 C ATOM 978 CG GLU A 65 17.106 11.158 -6.392 1.00 0.00 C ATOM 979 CD GLU A 65 18.489 10.957 -6.980 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.393 10.522 -6.237 1.00 0.00 O ATOM 981 OE2 GLU A 65 18.666 11.235 -8.184 1.00 0.00 O ATOM 0 H GLU A 65 14.324 9.469 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 65 16.860 8.584 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.968 10.495 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.624 9.924 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.367 11.133 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.049 12.147 -5.936 1.00 0.00 H new ATOM 988 N ASN A 66 15.611 7.447 -4.048 1.00 0.00 N ATOM 989 CA ASN A 66 15.734 6.394 -3.046 1.00 0.00 C ATOM 990 C ASN A 66 15.296 5.048 -3.615 1.00 0.00 C ATOM 991 O ASN A 66 14.108 4.814 -3.839 1.00 0.00 O ATOM 992 CB ASN A 66 14.897 6.735 -1.812 1.00 0.00 C ATOM 993 CG ASN A 66 15.319 5.943 -0.590 1.00 0.00 C ATOM 994 OD1 ASN A 66 15.963 4.900 -0.705 1.00 0.00 O ATOM 995 ND2 ASN A 66 14.958 6.436 0.589 1.00 0.00 N ATOM 0 H ASN A 66 14.760 8.004 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 66 16.783 6.323 -2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.986 7.800 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.846 6.539 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.214 5.947 1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.424 7.304 0.637 1.00 0.00 H new ATOM 1002 N ARG A 67 16.263 4.166 -3.846 1.00 0.00 N ATOM 1003 CA ARG A 67 15.978 2.844 -4.390 1.00 0.00 C ATOM 1004 C ARG A 67 15.253 1.979 -3.363 1.00 0.00 C ATOM 1005 O ARG A 67 14.086 1.627 -3.544 1.00 0.00 O ATOM 1006 CB ARG A 67 17.274 2.157 -4.825 1.00 0.00 C ATOM 1007 CG ARG A 67 17.794 2.636 -6.171 1.00 0.00 C ATOM 1008 CD ARG A 67 17.236 1.800 -7.313 1.00 0.00 C ATOM 1009 NE ARG A 67 18.097 1.839 -8.491 1.00 0.00 N ATOM 1010 CZ ARG A 67 18.064 0.926 -9.456 1.00 0.00 C ATOM 1011 NH1 ARG A 67 17.217 -0.091 -9.382 1.00 0.00 N ATOM 1012 NH2 ARG A 67 18.880 1.030 -10.497 1.00 0.00 N ATOM 0 H ARG A 67 17.251 4.343 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 67 15.331 2.968 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 67 18.039 2.329 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 67 17.107 1.081 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.521 3.681 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.883 2.586 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.119 0.768 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.243 2.164 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 67 18.760 2.609 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.588 -0.174 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.194 -0.790 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.533 1.811 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.854 0.329 -11.237 1.00 0.00 H new ATOM 1026 N THR A 68 15.951 1.639 -2.284 1.00 0.00 N ATOM 1027 CA THR A 68 15.375 0.814 -1.229 1.00 0.00 C ATOM 1028 C THR A 68 13.970 1.285 -0.869 1.00 0.00 C ATOM 1029 O THR A 68 13.107 0.481 -0.514 1.00 0.00 O ATOM 1030 CB THR A 68 16.250 0.831 0.038 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.586 0.427 -0.283 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.678 -0.093 1.103 1.00 0.00 C ATOM 0 H THR A 68 16.917 1.922 -2.118 1.00 0.00 H new ATOM 0 HA THR A 68 15.327 -0.204 -1.614 1.00 0.00 H new ATOM 0 HB THR A 68 16.263 1.848 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.136 0.442 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.313 -0.064 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.672 0.234 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.638 -1.112 0.718 1.00 0.00 H new ATOM 1040 N LEU A 69 13.746 2.591 -0.964 1.00 0.00 N ATOM 1041 CA LEU A 69 12.444 3.168 -0.648 1.00 0.00 C ATOM 1042 C LEU A 69 11.532 3.154 -1.871 1.00 0.00 C ATOM 1043 O LEU A 69 10.536 2.431 -1.905 1.00 0.00 O ATOM 1044 CB LEU A 69 12.610 4.601 -0.139 1.00 0.00 C ATOM 1045 CG LEU A 69 11.560 5.083 0.863 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.461 4.120 2.036 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.891 6.486 1.349 1.00 0.00 C ATOM 0 H LEU A 69 14.448 3.270 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 69 11.985 2.562 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.593 4.689 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.600 5.273 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 69 10.593 5.113 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.709 4.479 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.176 3.132 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.426 4.058 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.133 6.813 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.867 6.482 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.910 7.170 0.500 1.00 0.00 H new ATOM 1059 N TRP A 70 11.879 3.955 -2.871 1.00 0.00 N ATOM 1060 CA TRP A 70 11.092 4.033 -4.096 1.00 0.00 C ATOM 1061 C TRP A 70 10.685 2.642 -4.571 1.00 0.00 C ATOM 1062 O TRP A 70 9.516 2.396 -4.864 1.00 0.00 O ATOM 1063 CB TRP A 70 11.885 4.747 -5.192 1.00 0.00 C ATOM 1064 CG TRP A 70 11.060 5.089 -6.396 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.971 4.377 -7.558 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.210 6.230 -6.555 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.117 5.007 -8.430 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.636 6.145 -7.839 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.876 7.313 -5.739 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.749 7.103 -8.322 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 8.995 8.264 -6.220 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.439 8.153 -7.501 1.00 0.00 C ATOM 0 H TRP A 70 12.700 4.560 -2.858 1.00 0.00 H new ATOM 0 HA TRP A 70 10.188 4.603 -3.881 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.314 5.662 -4.783 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.718 4.114 -5.499 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.495 3.455 -7.761 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.879 4.680 -9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.298 7.406 -4.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.321 7.020 -9.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.731 9.106 -5.598 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.752 8.911 -7.847 1.00 0.00 H new ATOM 1083 N GLU A 71 11.656 1.738 -4.643 1.00 0.00 N ATOM 1084 CA GLU A 71 11.397 0.372 -5.082 1.00 0.00 C ATOM 1085 C GLU A 71 10.173 -0.203 -4.376 1.00 0.00 C ATOM 1086 O GLU A 71 9.131 -0.420 -4.993 1.00 0.00 O ATOM 1087 CB GLU A 71 12.616 -0.513 -4.817 1.00 0.00 C ATOM 1088 CG GLU A 71 13.758 -0.285 -5.792 1.00 0.00 C ATOM 1089 CD GLU A 71 14.585 -1.535 -6.025 1.00 0.00 C ATOM 1090 OE1 GLU A 71 13.988 -2.611 -6.237 1.00 0.00 O ATOM 1091 OE2 GLU A 71 15.830 -1.436 -5.996 1.00 0.00 O ATOM 0 H GLU A 71 12.629 1.927 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 71 11.200 0.393 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.973 -0.331 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.312 -1.559 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.355 0.062 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.403 0.507 -5.411 1.00 0.00 H new ATOM 1098 N ASN A 72 10.308 -0.449 -3.077 1.00 0.00 N ATOM 1099 CA ASN A 72 9.214 -1.001 -2.285 1.00 0.00 C ATOM 1100 C ASN A 72 7.942 -0.177 -2.466 1.00 0.00 C ATOM 1101 O ASN A 72 6.906 -0.699 -2.881 1.00 0.00 O ATOM 1102 CB ASN A 72 9.600 -1.045 -0.805 1.00 0.00 C ATOM 1103 CG ASN A 72 10.768 -1.975 -0.540 1.00 0.00 C ATOM 1104 OD1 ASN A 72 11.668 -1.557 0.342 1.00 0.00 O flip ATOM 1105 ND2 ASN A 72 10.858 -3.057 -1.120 1.00 0.00 N flip ATOM 0 H ASN A 72 11.164 -0.275 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 72 9.022 -2.016 -2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.856 -0.040 -0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.741 -1.369 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.142 -3.337 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.648 -3.673 -0.930 1.00 0.00 H new ATOM 1112 N LEU A 73 8.029 1.111 -2.154 1.00 0.00 N ATOM 1113 CA LEU A 73 6.886 2.008 -2.283 1.00 0.00 C ATOM 1114 C LEU A 73 6.241 1.874 -3.659 1.00 0.00 C ATOM 1115 O LEU A 73 5.056 2.162 -3.831 1.00 0.00 O ATOM 1116 CB LEU A 73 7.319 3.456 -2.049 1.00 0.00 C ATOM 1117 CG LEU A 73 7.486 3.879 -0.589 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.698 5.382 -0.490 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.276 3.454 0.230 1.00 0.00 C ATOM 0 H LEU A 73 8.879 1.558 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 73 6.150 1.729 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.266 3.619 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.585 4.113 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 73 8.367 3.381 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.815 5.665 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.595 5.660 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.836 5.900 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.412 3.763 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.380 3.924 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.169 2.370 0.185 1.00 0.00 H new ATOM 1131 N CYS A 74 7.028 1.434 -4.635 1.00 0.00 N ATOM 1132 CA CYS A 74 6.533 1.260 -5.996 1.00 0.00 C ATOM 1133 C CYS A 74 5.578 0.075 -6.080 1.00 0.00 C ATOM 1134 O CYS A 74 4.484 0.182 -6.636 1.00 0.00 O ATOM 1135 CB CYS A 74 7.701 1.059 -6.963 1.00 0.00 C ATOM 1136 SG CYS A 74 7.285 1.362 -8.696 1.00 0.00 S ATOM 0 H CYS A 74 8.011 1.191 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 74 5.989 2.162 -6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.516 1.723 -6.675 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.071 0.039 -6.862 1.00 0.00 H new ATOM 0 HG CYS A 74 8.337 1.168 -9.435 1.00 0.00 H new ATOM 1142 N THR A 75 5.998 -1.058 -5.526 1.00 0.00 N ATOM 1143 CA THR A 75 5.181 -2.265 -5.541 1.00 0.00 C ATOM 1144 C THR A 75 3.914 -2.082 -4.713 1.00 0.00 C ATOM 1145 O THR A 75 2.851 -2.591 -5.069 1.00 0.00 O ATOM 1146 CB THR A 75 5.962 -3.479 -5.001 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.485 -4.681 -5.616 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.820 -3.585 -3.490 1.00 0.00 C ATOM 0 H THR A 75 6.900 -1.165 -5.061 1.00 0.00 H new ATOM 0 HA THR A 75 4.909 -2.449 -6.580 1.00 0.00 H new ATOM 0 HB THR A 75 7.016 -3.342 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.987 -5.448 -5.269 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.380 -4.449 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.211 -2.681 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.768 -3.701 -3.231 1.00 0.00 H new ATOM 1156 N ILE A 76 4.034 -1.352 -3.610 1.00 0.00 N ATOM 1157 CA ILE A 76 2.897 -1.101 -2.733 1.00 0.00 C ATOM 1158 C ILE A 76 1.908 -0.137 -3.379 1.00 0.00 C ATOM 1159 O ILE A 76 0.711 -0.176 -3.094 1.00 0.00 O ATOM 1160 CB ILE A 76 3.348 -0.524 -1.378 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.449 -1.395 -0.769 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.164 -0.417 -0.428 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.902 -0.930 0.597 1.00 0.00 C ATOM 0 H ILE A 76 4.907 -0.924 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 76 2.409 -2.061 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 76 3.750 0.476 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.089 -2.421 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.306 -1.407 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.498 -0.008 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.409 0.240 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.735 -1.406 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.683 -1.594 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.293 0.085 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.057 -0.945 1.285 1.00 0.00 H new ATOM 1175 N ARG A 77 2.416 0.727 -4.252 1.00 0.00 N ATOM 1176 CA ARG A 77 1.577 1.701 -4.940 1.00 0.00 C ATOM 1177 C ARG A 77 0.645 1.011 -5.932 1.00 0.00 C ATOM 1178 O ARG A 77 -0.515 1.398 -6.080 1.00 0.00 O ATOM 1179 CB ARG A 77 2.444 2.729 -5.668 1.00 0.00 C ATOM 1180 CG ARG A 77 1.656 3.649 -6.587 1.00 0.00 C ATOM 1181 CD ARG A 77 1.004 4.783 -5.812 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.015 5.471 -6.602 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.462 6.690 -6.323 1.00 0.00 C ATOM 1184 NH1 ARG A 77 0.018 7.353 -5.280 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.390 7.249 -7.090 1.00 0.00 N ATOM 0 H ARG A 77 3.404 0.772 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 77 0.970 2.212 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.974 3.332 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.200 2.205 -6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.319 4.061 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.890 3.075 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.552 4.387 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.767 5.497 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.404 4.988 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.732 6.927 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.327 8.289 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.760 6.742 -7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.733 8.185 -6.875 1.00 0.00 H new ATOM 1199 N ARG A 78 1.160 -0.010 -6.608 1.00 0.00 N ATOM 1200 CA ARG A 78 0.374 -0.752 -7.587 1.00 0.00 C ATOM 1201 C ARG A 78 -0.747 -1.531 -6.906 1.00 0.00 C ATOM 1202 O ARG A 78 -1.808 -1.750 -7.491 1.00 0.00 O ATOM 1203 CB ARG A 78 1.272 -1.710 -8.372 1.00 0.00 C ATOM 1204 CG ARG A 78 2.045 -1.038 -9.495 1.00 0.00 C ATOM 1205 CD ARG A 78 3.373 -1.734 -9.750 1.00 0.00 C ATOM 1206 NE ARG A 78 3.202 -2.993 -10.470 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.097 -3.974 -10.457 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.220 -3.843 -9.764 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.870 -5.090 -11.137 1.00 0.00 N ATOM 0 H ARG A 78 2.118 -0.343 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.072 -0.036 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.978 -2.177 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.659 -2.508 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.447 -1.047 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.223 0.007 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.024 -1.074 -10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.871 -1.925 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 78 2.349 -3.126 -11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.398 -2.987 -9.239 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.905 -4.598 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.007 -5.195 -11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.558 -5.843 -11.126 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.504 -1.948 -5.668 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.493 -2.704 -4.908 1.00 0.00 C ATOM 1225 C PHE A 79 -2.740 -1.863 -4.650 1.00 0.00 C ATOM 1226 O PHE A 79 -3.856 -2.272 -4.974 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.896 -3.172 -3.579 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.636 -4.325 -2.963 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.954 -4.183 -2.559 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.014 -5.550 -2.787 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.637 -5.242 -1.991 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.692 -6.613 -2.220 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.006 -6.459 -1.823 1.00 0.00 C ATOM 0 H PHE A 79 0.369 -1.775 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.779 -3.575 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.143 -3.461 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.891 -2.337 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.453 -3.234 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.013 -5.676 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.663 -5.118 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.195 -7.563 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.539 -7.289 -1.382 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.543 -0.687 -4.064 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.651 0.212 -3.762 1.00 0.00 C ATOM 1245 C LEU A 80 -4.450 0.535 -5.021 1.00 0.00 C ATOM 1246 O LEU A 80 -5.657 0.765 -4.960 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.128 1.503 -3.131 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.168 1.334 -1.953 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.528 2.665 -1.590 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.895 0.745 -0.753 1.00 0.00 C ATOM 0 H LEU A 80 -1.626 -0.334 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.311 -0.290 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.624 2.083 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.982 2.092 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.378 0.644 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.848 2.525 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.972 3.047 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.304 3.379 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.196 0.632 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.706 1.410 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.305 -0.230 -1.018 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.767 0.547 -6.161 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.414 0.840 -7.435 1.00 0.00 C ATOM 1264 C ASN A 81 -5.472 -0.210 -7.762 1.00 0.00 C ATOM 1265 O ASN A 81 -6.309 -0.009 -8.643 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.374 0.899 -8.556 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.822 2.297 -8.760 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -1.504 2.431 -8.671 1.00 0.00 O flip ATOM 1269 ND2 ASN A 81 -3.572 3.245 -8.994 1.00 0.00 N flip ATOM 0 H ASN A 81 -2.767 0.358 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.904 1.810 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.555 0.218 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.825 0.550 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.579 3.096 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.186 4.180 -9.128 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.428 -1.328 -7.047 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.383 -2.410 -7.260 1.00 0.00 C ATOM 1278 C LEU A 82 -7.740 -2.066 -6.653 1.00 0.00 C ATOM 1279 O LEU A 82 -7.842 -1.299 -5.696 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.855 -3.710 -6.652 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.545 -4.241 -7.236 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.042 -5.427 -6.428 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.730 -4.628 -8.696 1.00 0.00 C ATOM 0 H LEU A 82 -4.742 -1.509 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.509 -2.544 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.717 -3.557 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.619 -4.479 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.798 -3.449 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.109 -5.791 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.870 -5.118 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.786 -6.223 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.788 -5.004 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.492 -5.404 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.043 -3.754 -9.267 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.807 -2.648 -7.221 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.176 -2.420 -6.751 1.00 0.00 C ATOM 1297 C PRO A 83 -10.434 -3.053 -5.388 1.00 0.00 C ATOM 1298 O PRO A 83 -9.868 -4.096 -5.062 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.036 -3.092 -7.824 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.153 -4.132 -8.421 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.758 -3.573 -8.366 1.00 0.00 C ATOM 0 HA PRO A 83 -10.389 -1.360 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.933 -3.535 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.365 -2.374 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.221 -5.067 -7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.446 -4.350 -9.448 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.016 -4.358 -8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.495 -3.056 -9.289 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.291 -2.416 -4.597 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.623 -2.918 -3.269 1.00 0.00 C ATOM 1311 C GLN A 84 -11.917 -4.414 -3.311 1.00 0.00 C ATOM 1312 O GLN A 84 -11.469 -5.170 -2.447 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.828 -2.166 -2.702 1.00 0.00 C ATOM 1314 CG GLN A 84 -12.986 -2.315 -1.198 1.00 0.00 C ATOM 1315 CD GLN A 84 -11.997 -1.469 -0.420 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -11.305 -0.623 -0.988 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -11.926 -1.691 0.887 1.00 0.00 N ATOM 0 H GLN A 84 -11.768 -1.551 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.763 -2.752 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.733 -1.108 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.733 -2.526 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.000 -2.035 -0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.856 -3.362 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.518 -2.402 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.279 -1.151 1.462 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.672 -4.836 -4.320 1.00 0.00 N ATOM 1327 CA HIS A 85 -13.026 -6.243 -4.474 1.00 0.00 C ATOM 1328 C HIS A 85 -11.776 -7.103 -4.632 1.00 0.00 C ATOM 1329 O HIS A 85 -11.764 -8.272 -4.249 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.945 -6.430 -5.682 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.209 -6.715 -6.955 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.956 -5.752 -7.909 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.670 -7.863 -7.429 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.294 -6.296 -8.915 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -12.108 -7.576 -8.648 1.00 0.00 N ATOM 0 H HIS A 85 -13.051 -4.224 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.553 -6.561 -3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.635 -7.249 -5.480 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.547 -5.531 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.680 -8.825 -6.939 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.962 -5.781 -9.804 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.625 -8.243 -9.250 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.727 -6.516 -5.200 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.473 -7.230 -5.410 1.00 0.00 C ATOM 1346 C GLU A 86 -8.683 -7.336 -4.109 1.00 0.00 C ATOM 1347 O GLU A 86 -8.507 -8.425 -3.564 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.631 -6.525 -6.475 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.884 -7.034 -7.885 1.00 0.00 C ATOM 1350 CD GLU A 86 -8.099 -8.292 -8.200 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -8.298 -9.306 -7.499 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -7.286 -8.264 -9.148 1.00 0.00 O ATOM 0 H GLU A 86 -10.721 -5.548 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.711 -8.237 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.838 -5.455 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.575 -6.653 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.948 -7.233 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.619 -6.256 -8.601 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.208 -6.196 -3.618 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.435 -6.159 -2.383 1.00 0.00 C ATOM 1361 C ARG A 87 -8.043 -7.084 -1.333 1.00 0.00 C ATOM 1362 O ARG A 87 -7.334 -7.845 -0.674 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.366 -4.730 -1.841 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.169 -3.678 -2.920 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.500 -2.430 -2.366 1.00 0.00 C ATOM 1366 NE ARG A 87 -6.936 -1.222 -3.061 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.020 -0.531 -2.727 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.775 -0.927 -1.711 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.350 0.559 -3.408 1.00 0.00 N ATOM 0 H ARG A 87 -8.345 -5.286 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.425 -6.504 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.285 -4.512 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.547 -4.661 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.561 -4.091 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.134 -3.413 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.726 -2.339 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.418 -2.529 -2.454 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.377 -0.890 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.524 -1.764 -1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.607 -0.395 -1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.771 0.867 -4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.183 1.089 -3.150 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.361 -7.012 -1.181 1.00 0.00 N ATOM 1384 CA ASP A 88 -10.066 -7.843 -0.212 1.00 0.00 C ATOM 1385 C ASP A 88 -9.765 -9.321 -0.442 1.00 0.00 C ATOM 1386 O ASP A 88 -9.606 -10.088 0.507 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.573 -7.597 -0.298 1.00 0.00 C ATOM 1388 CG ASP A 88 -12.309 -8.077 0.938 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.881 -7.726 2.057 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -13.313 -8.805 0.785 1.00 0.00 O ATOM 0 H ASP A 88 -9.963 -6.386 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.718 -7.571 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.757 -6.532 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.972 -8.106 -1.176 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.691 -9.714 -1.710 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.410 -11.099 -2.066 1.00 0.00 C ATOM 1397 C VAL A 89 -8.008 -11.507 -1.624 1.00 0.00 C ATOM 1398 O VAL A 89 -7.825 -12.542 -0.984 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.545 -11.328 -3.583 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.241 -12.777 -3.934 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.935 -10.935 -4.059 1.00 0.00 C ATOM 0 H VAL A 89 -9.822 -9.092 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.145 -11.714 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.819 -10.696 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.342 -12.920 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.223 -13.019 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.941 -13.432 -3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.013 -11.103 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.681 -11.539 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.109 -9.881 -3.843 1.00 0.00 H new ATOM 1411 N ILE A 90 -7.023 -10.685 -1.970 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.638 -10.959 -1.607 1.00 0.00 C ATOM 1413 C ILE A 90 -5.497 -11.183 -0.106 1.00 0.00 C ATOM 1414 O ILE A 90 -4.923 -12.181 0.332 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.707 -9.808 -2.033 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.754 -9.620 -3.551 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.283 -10.081 -1.571 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.407 -8.216 -3.996 1.00 0.00 C ATOM 0 H ILE A 90 -7.158 -9.825 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.346 -11.866 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.051 -8.888 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.063 -10.322 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.753 -9.870 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.637 -9.259 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.264 -10.170 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.927 -11.009 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.460 -8.155 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.113 -7.511 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.397 -7.969 -3.668 1.00 0.00 H new ATOM 1430 N TYR A 91 -6.025 -10.250 0.678 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.958 -10.346 2.132 1.00 0.00 C ATOM 1432 C TYR A 91 -6.636 -11.619 2.626 1.00 0.00 C ATOM 1433 O TYR A 91 -6.117 -12.312 3.501 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.613 -9.123 2.775 1.00 0.00 C ATOM 1435 CG TYR A 91 -6.079 -7.806 2.257 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.719 -7.526 2.286 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.936 -6.844 1.736 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.227 -6.324 1.814 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.452 -5.640 1.260 1.00 0.00 C ATOM 1440 CZ TYR A 91 -5.097 -5.385 1.302 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.611 -4.187 0.830 1.00 0.00 O ATOM 0 H TYR A 91 -6.504 -9.419 0.332 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.907 -10.381 2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.688 -9.163 2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.464 -9.167 3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.034 -8.260 2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.997 -7.040 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.167 -6.121 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.131 -4.903 0.857 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.249 -4.313 -0.072 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.800 -11.921 2.059 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.551 -13.111 2.442 1.00 0.00 C ATOM 1453 C GLU A 92 -7.745 -14.376 2.162 1.00 0.00 C ATOM 1454 O GLU A 92 -7.474 -15.164 3.066 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.883 -13.165 1.691 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.892 -12.134 2.167 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.547 -12.522 3.479 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -10.861 -12.476 4.522 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -12.746 -12.872 3.462 1.00 0.00 O ATOM 0 H GLU A 92 -8.243 -11.358 1.333 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.748 -13.056 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.697 -13.015 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.313 -14.160 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.395 -11.171 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.661 -12.005 1.405 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.365 -14.561 0.901 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.591 -15.731 0.501 1.00 0.00 C ATOM 1468 C GLU A 93 -5.315 -15.848 1.329 1.00 0.00 C ATOM 1469 O GLU A 93 -4.920 -16.943 1.728 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.242 -15.655 -0.986 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.459 -15.586 -1.894 1.00 0.00 C ATOM 1472 CD GLU A 93 -7.192 -16.161 -3.272 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -7.077 -17.400 -3.385 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -7.098 -15.373 -4.236 1.00 0.00 O ATOM 0 H GLU A 93 -7.580 -13.917 0.140 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.201 -16.617 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.619 -14.778 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.647 -16.527 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.284 -16.128 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.776 -14.548 -1.993 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.674 -14.711 1.582 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.442 -14.686 2.361 1.00 0.00 C ATOM 1483 C GLU A 94 -3.700 -15.119 3.802 1.00 0.00 C ATOM 1484 O GLU A 94 -3.253 -16.183 4.231 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.827 -13.285 2.341 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.586 -13.152 3.207 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.445 -14.029 2.729 1.00 0.00 C ATOM 1488 OE1 GLU A 94 0.038 -13.810 1.599 1.00 0.00 O ATOM 1489 OE2 GLU A 94 -0.035 -14.935 3.486 1.00 0.00 O ATOM 0 H GLU A 94 -4.988 -13.796 1.259 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.742 -15.389 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.572 -13.024 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.573 -12.565 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.262 -12.111 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.835 -13.414 4.235 1.00 0.00 H new