USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc=-0.00919 X(o=-0.0092,f=0) USER MOD Set 2.1: A 51 ASN : amide:sc= 0.0131 X(o=0.013,f=-0.0055) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 108:sc= -0.344 USER MOD Single : A 22 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.0087) USER MOD Single : A 23 THR OG1 : rot -90:sc= -0.269 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= 0.0133 (180deg=-0.0341) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 156:sc= 1.3 USER MOD Single : A 43 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.015) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.21 USER MOD Single : A 66 THR OG1 : rot -85:sc= 1.08 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.336 K(o=-0.34,f=-2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.25) USER MOD Single : A 73 TYR OH : rot -164:sc= 1.03 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -65:sc= 0.0339 USER MOD Single : A 92 SER OG : rot 180:sc= -0.215 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 168:sc=-0.00709 (180deg=-0.206) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.31 F(o=-4.1,f=-1.3) USER MOD Single : A 100 TYR OH : rot -31:sc= -4.09! USER MOD Single : A 101 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.15) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HE2:sc= -4.38! C(o=-4.4!,f=-10!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 60:sc= 0.718 USER MOD Single : A 115 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.38) USER MOD Single : A 117 TYR OH : rot -140:sc= -1.2 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.911 1.309 -15.288 1.00 0.00 N ATOM 168 CA PRO A 14 -2.633 1.156 -14.587 1.00 0.00 C ATOM 169 C PRO A 14 -2.817 0.887 -13.098 1.00 0.00 C ATOM 170 O PRO A 14 -2.264 -0.072 -12.557 1.00 0.00 O ATOM 171 CB PRO A 14 -1.945 2.506 -14.806 1.00 0.00 C ATOM 172 CG PRO A 14 -3.061 3.468 -15.026 1.00 0.00 C ATOM 173 CD PRO A 14 -4.142 2.695 -15.728 1.00 0.00 C ATOM 0 HA PRO A 14 -2.062 0.306 -14.960 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.343 2.788 -13.942 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.275 2.474 -15.665 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.421 3.871 -14.079 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.733 4.315 -15.629 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.135 3.046 -15.446 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.066 2.791 -16.811 1.00 0.00 H new ATOM 181 N LEU A 15 -3.597 1.737 -12.439 1.00 0.00 N ATOM 182 CA LEU A 15 -3.855 1.590 -11.011 1.00 0.00 C ATOM 183 C LEU A 15 -5.353 1.584 -10.726 1.00 0.00 C ATOM 184 O LEU A 15 -5.985 2.629 -10.573 1.00 0.00 O ATOM 185 CB LEU A 15 -3.181 2.721 -10.232 1.00 0.00 C ATOM 186 CG LEU A 15 -1.782 2.422 -9.691 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.823 1.245 -8.728 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.816 2.145 -10.833 1.00 0.00 C ATOM 0 H LEU A 15 -4.062 2.535 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.439 0.636 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.119 3.595 -10.880 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.823 2.991 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.429 3.298 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.819 1.047 -8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.482 1.481 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.197 0.363 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.174 1.934 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.165 1.285 -11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.764 3.017 -11.485 1.00 0.00 H new ATOM 200 N PRO A 16 -5.936 0.378 -10.650 1.00 0.00 N ATOM 201 CA PRO A 16 -7.367 0.207 -10.379 1.00 0.00 C ATOM 202 C PRO A 16 -7.736 0.584 -8.949 1.00 0.00 C ATOM 203 O PRO A 16 -7.005 0.277 -8.008 1.00 0.00 O ATOM 204 CB PRO A 16 -7.595 -1.289 -10.614 1.00 0.00 C ATOM 205 CG PRO A 16 -6.266 -1.917 -10.372 1.00 0.00 C ATOM 206 CD PRO A 16 -5.244 -0.910 -10.821 1.00 0.00 C ATOM 0 HA PRO A 16 -7.981 0.851 -11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.350 -1.686 -9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.945 -1.482 -11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.136 -2.161 -9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.167 -2.848 -10.930 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.337 -0.962 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.948 -1.073 -11.857 1.00 0.00 H new ATOM 214 N ASN A 17 -8.874 1.252 -8.793 1.00 0.00 N ATOM 215 CA ASN A 17 -9.340 1.671 -7.476 1.00 0.00 C ATOM 216 C ASN A 17 -9.313 0.505 -6.492 1.00 0.00 C ATOM 217 O ASN A 17 -9.334 0.703 -5.278 1.00 0.00 O ATOM 218 CB ASN A 17 -10.757 2.240 -7.570 1.00 0.00 C ATOM 219 CG ASN A 17 -11.821 1.178 -7.372 1.00 0.00 C ATOM 220 OD1 ASN A 17 -12.051 0.343 -8.247 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.477 1.206 -6.218 1.00 0.00 N ATOM 0 H ASN A 17 -9.491 1.515 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.667 2.447 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.883 3.021 -6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.893 2.710 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.205 0.517 -6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.253 1.916 -5.521 1.00 0.00 H new ATOM 228 N SER A 18 -9.266 -0.712 -7.026 1.00 0.00 N ATOM 229 CA SER A 18 -9.240 -1.910 -6.196 1.00 0.00 C ATOM 230 C SER A 18 -8.116 -1.834 -5.167 1.00 0.00 C ATOM 231 O SER A 18 -8.347 -1.976 -3.967 1.00 0.00 O ATOM 232 CB SER A 18 -9.065 -3.156 -7.068 1.00 0.00 C ATOM 233 OG SER A 18 -7.947 -3.023 -7.929 1.00 0.00 O ATOM 0 H SER A 18 -9.245 -0.894 -8.029 1.00 0.00 H new ATOM 0 HA SER A 18 -10.190 -1.976 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.937 -4.033 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.966 -3.319 -7.659 1.00 0.00 H new ATOM 0 HG SER A 18 -7.225 -3.609 -7.620 1.00 0.00 H new ATOM 239 N VAL A 19 -6.897 -1.607 -5.647 1.00 0.00 N ATOM 240 CA VAL A 19 -5.736 -1.510 -4.770 1.00 0.00 C ATOM 241 C VAL A 19 -5.919 -0.405 -3.736 1.00 0.00 C ATOM 242 O VAL A 19 -5.376 -0.475 -2.634 1.00 0.00 O ATOM 243 CB VAL A 19 -4.449 -1.241 -5.571 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.279 -2.275 -6.674 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.465 0.167 -6.148 1.00 0.00 C ATOM 0 H VAL A 19 -6.688 -1.487 -6.638 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.644 -2.469 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.598 -1.323 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.364 -2.068 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.219 -3.270 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.132 -2.229 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.548 0.340 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.324 0.279 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.535 0.892 -5.337 1.00 0.00 H new ATOM 255 N PHE A 20 -6.689 0.616 -4.100 1.00 0.00 N ATOM 256 CA PHE A 20 -6.944 1.738 -3.203 1.00 0.00 C ATOM 257 C PHE A 20 -8.060 1.404 -2.218 1.00 0.00 C ATOM 258 O PHE A 20 -9.242 1.452 -2.562 1.00 0.00 O ATOM 259 CB PHE A 20 -7.314 2.986 -4.007 1.00 0.00 C ATOM 260 CG PHE A 20 -6.297 3.350 -5.051 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.229 2.649 -6.245 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.409 4.392 -4.840 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.295 2.981 -7.208 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.473 4.729 -5.799 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.415 4.022 -6.984 1.00 0.00 C ATOM 0 H PHE A 20 -7.147 0.689 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.033 1.935 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.277 2.824 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.437 3.826 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.914 1.834 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.449 4.948 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.253 2.427 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.787 5.545 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.683 4.283 -7.734 1.00 0.00 H new ATOM 275 N VAL A 21 -7.677 1.065 -0.991 1.00 0.00 N ATOM 276 CA VAL A 21 -8.645 0.724 0.045 1.00 0.00 C ATOM 277 C VAL A 21 -8.759 1.839 1.078 1.00 0.00 C ATOM 278 O VAL A 21 -7.771 2.485 1.421 1.00 0.00 O ATOM 279 CB VAL A 21 -8.263 -0.586 0.759 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.896 -0.459 1.413 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.322 -0.961 1.785 1.00 0.00 C ATOM 0 H VAL A 21 -6.703 1.019 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.607 0.592 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.211 -1.383 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.643 -1.394 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.147 -0.240 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.916 0.349 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.036 -1.889 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.408 -0.166 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.281 -1.097 1.285 1.00 0.00 H new ATOM 291 N ASN A 22 -9.974 2.058 1.571 1.00 0.00 N ATOM 292 CA ASN A 22 -10.219 3.096 2.567 1.00 0.00 C ATOM 293 C ASN A 22 -9.940 2.576 3.974 1.00 0.00 C ATOM 294 O ASN A 22 -10.469 3.097 4.957 1.00 0.00 O ATOM 295 CB ASN A 22 -11.663 3.593 2.471 1.00 0.00 C ATOM 296 CG ASN A 22 -11.817 5.019 2.963 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.602 5.293 3.871 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.066 5.936 2.364 1.00 0.00 N ATOM 0 H ASN A 22 -10.804 1.531 1.298 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.542 3.926 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.998 3.531 1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.309 2.938 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.126 6.912 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.429 5.664 1.616 1.00 0.00 H new ATOM 305 N THR A 23 -9.105 1.545 4.064 1.00 0.00 N ATOM 306 CA THR A 23 -8.756 0.954 5.349 1.00 0.00 C ATOM 307 C THR A 23 -7.391 1.438 5.824 1.00 0.00 C ATOM 308 O THR A 23 -6.376 1.213 5.164 1.00 0.00 O ATOM 309 CB THR A 23 -8.746 -0.584 5.276 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.883 -1.138 6.590 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.459 -1.087 4.641 1.00 0.00 C ATOM 0 H THR A 23 -8.658 1.102 3.261 1.00 0.00 H new ATOM 0 HA THR A 23 -9.519 1.271 6.060 1.00 0.00 H new ATOM 0 HB THR A 23 -9.586 -0.902 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.995 -1.265 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.475 -2.176 4.600 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.371 -0.687 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.607 -0.759 5.236 1.00 0.00 H new ATOM 319 N THR A 24 -7.371 2.104 6.975 1.00 0.00 N ATOM 320 CA THR A 24 -6.130 2.620 7.538 1.00 0.00 C ATOM 321 C THR A 24 -5.570 1.674 8.594 1.00 0.00 C ATOM 322 O THR A 24 -4.874 2.100 9.515 1.00 0.00 O ATOM 323 CB THR A 24 -6.334 4.011 8.168 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.380 3.958 9.145 1.00 0.00 O ATOM 325 CG2 THR A 24 -6.680 5.041 7.103 1.00 0.00 C ATOM 0 H THR A 24 -8.201 2.298 7.535 1.00 0.00 H new ATOM 0 HA THR A 24 -5.420 2.703 6.715 1.00 0.00 H new ATOM 0 HB THR A 24 -5.402 4.308 8.650 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.502 4.846 9.542 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.820 6.015 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.869 5.100 6.377 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.599 4.746 6.597 1.00 0.00 H new ATOM 333 N GLU A 25 -5.878 0.389 8.454 1.00 0.00 N ATOM 334 CA GLU A 25 -5.405 -0.617 9.398 1.00 0.00 C ATOM 335 C GLU A 25 -4.675 -1.744 8.672 1.00 0.00 C ATOM 336 O GLU A 25 -5.300 -2.604 8.051 1.00 0.00 O ATOM 337 CB GLU A 25 -6.577 -1.188 10.199 1.00 0.00 C ATOM 338 CG GLU A 25 -7.402 -0.128 10.910 1.00 0.00 C ATOM 339 CD GLU A 25 -6.894 0.167 12.308 1.00 0.00 C ATOM 340 OE1 GLU A 25 -7.205 -0.616 13.230 1.00 0.00 O ATOM 341 OE2 GLU A 25 -6.186 1.181 12.480 1.00 0.00 O ATOM 0 H GLU A 25 -6.453 0.020 7.696 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.706 -0.136 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.225 -1.751 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.193 -1.893 10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.391 0.790 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.439 -0.458 10.967 1.00 0.00 H new ATOM 348 N SER A 26 -3.349 -1.731 8.754 1.00 0.00 N ATOM 349 CA SER A 26 -2.532 -2.748 8.102 1.00 0.00 C ATOM 350 C SER A 26 -3.079 -4.145 8.381 1.00 0.00 C ATOM 351 O SER A 26 -3.179 -4.976 7.478 1.00 0.00 O ATOM 352 CB SER A 26 -1.082 -2.651 8.579 1.00 0.00 C ATOM 353 OG SER A 26 -1.003 -2.728 9.992 1.00 0.00 O ATOM 0 H SER A 26 -2.817 -1.027 9.266 1.00 0.00 H new ATOM 0 HA SER A 26 -2.565 -2.571 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.495 -3.455 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.646 -1.712 8.238 1.00 0.00 H new ATOM 0 HG SER A 26 -0.066 -2.665 10.271 1.00 0.00 H new ATOM 359 N CYS A 27 -3.431 -4.395 9.637 1.00 0.00 N ATOM 360 CA CYS A 27 -3.967 -5.691 10.038 1.00 0.00 C ATOM 361 C CYS A 27 -5.117 -6.109 9.126 1.00 0.00 C ATOM 362 O CYS A 27 -5.157 -7.239 8.641 1.00 0.00 O ATOM 363 CB CYS A 27 -4.443 -5.643 11.490 1.00 0.00 C ATOM 364 SG CYS A 27 -3.104 -5.608 12.705 1.00 0.00 S ATOM 0 H CYS A 27 -3.355 -3.717 10.396 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.170 -6.429 9.950 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.067 -4.760 11.628 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.072 -6.512 11.684 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.606 -5.566 13.903 1.00 0.00 H new ATOM 370 N GLU A 28 -6.050 -5.189 8.900 1.00 0.00 N ATOM 371 CA GLU A 28 -7.201 -5.464 8.049 1.00 0.00 C ATOM 372 C GLU A 28 -6.757 -5.917 6.661 1.00 0.00 C ATOM 373 O GLU A 28 -7.219 -6.937 6.151 1.00 0.00 O ATOM 374 CB GLU A 28 -8.086 -4.221 7.933 1.00 0.00 C ATOM 375 CG GLU A 28 -9.255 -4.392 6.977 1.00 0.00 C ATOM 376 CD GLU A 28 -10.371 -5.233 7.566 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.091 -6.367 8.008 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.525 -4.756 7.585 1.00 0.00 O ATOM 0 H GLU A 28 -6.031 -4.248 9.294 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.775 -6.269 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.470 -3.965 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.476 -3.381 7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.647 -3.411 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.902 -4.857 6.056 1.00 0.00 H new ATOM 385 N VAL A 29 -5.857 -5.149 6.055 1.00 0.00 N ATOM 386 CA VAL A 29 -5.349 -5.470 4.727 1.00 0.00 C ATOM 387 C VAL A 29 -4.930 -6.934 4.637 1.00 0.00 C ATOM 388 O VAL A 29 -5.237 -7.618 3.662 1.00 0.00 O ATOM 389 CB VAL A 29 -4.147 -4.581 4.355 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.619 -4.945 2.976 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.534 -3.111 4.416 1.00 0.00 C ATOM 0 H VAL A 29 -5.465 -4.300 6.463 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.161 -5.283 4.025 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.351 -4.755 5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.770 -4.306 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.302 -5.988 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.406 -4.802 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.673 -2.497 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.347 -2.919 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.860 -2.862 5.426 1.00 0.00 H new ATOM 401 N GLU A 30 -4.228 -7.406 5.662 1.00 0.00 N ATOM 402 CA GLU A 30 -3.768 -8.790 5.699 1.00 0.00 C ATOM 403 C GLU A 30 -4.944 -9.757 5.607 1.00 0.00 C ATOM 404 O GLU A 30 -4.867 -10.782 4.929 1.00 0.00 O ATOM 405 CB GLU A 30 -2.975 -9.053 6.981 1.00 0.00 C ATOM 406 CG GLU A 30 -2.085 -10.282 6.904 1.00 0.00 C ATOM 407 CD GLU A 30 -1.157 -10.405 8.097 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.461 -9.807 9.151 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.126 -11.099 7.977 1.00 0.00 O ATOM 0 H GLU A 30 -3.965 -6.852 6.477 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.118 -8.953 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.359 -8.182 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.671 -9.170 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.708 -11.174 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.492 -10.240 5.990 1.00 0.00 H new ATOM 416 N ARG A 31 -6.031 -9.425 6.295 1.00 0.00 N ATOM 417 CA ARG A 31 -7.223 -10.264 6.293 1.00 0.00 C ATOM 418 C ARG A 31 -7.905 -10.238 4.928 1.00 0.00 C ATOM 419 O ARG A 31 -8.290 -11.279 4.394 1.00 0.00 O ATOM 420 CB ARG A 31 -8.202 -9.800 7.373 1.00 0.00 C ATOM 421 CG ARG A 31 -9.530 -10.539 7.351 1.00 0.00 C ATOM 422 CD ARG A 31 -10.320 -10.304 8.628 1.00 0.00 C ATOM 423 NE ARG A 31 -11.484 -11.181 8.721 1.00 0.00 N ATOM 424 CZ ARG A 31 -12.070 -11.506 9.868 1.00 0.00 C ATOM 425 NH1 ARG A 31 -11.603 -11.028 11.014 1.00 0.00 N ATOM 426 NH2 ARG A 31 -13.126 -12.310 9.871 1.00 0.00 N ATOM 0 H ARG A 31 -6.111 -8.580 6.861 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.916 -11.288 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.739 -9.931 8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.388 -8.733 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.117 -10.210 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.351 -11.607 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.673 -10.468 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.645 -9.264 8.667 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.868 -11.565 7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.792 -10.409 11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.055 -11.279 11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.488 -12.679 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.575 -12.559 10.752 1.00 0.00 H new ATOM 440 N LEU A 32 -8.052 -9.041 4.370 1.00 0.00 N ATOM 441 CA LEU A 32 -8.688 -8.878 3.067 1.00 0.00 C ATOM 442 C LEU A 32 -8.011 -9.754 2.017 1.00 0.00 C ATOM 443 O LEU A 32 -8.656 -10.581 1.373 1.00 0.00 O ATOM 444 CB LEU A 32 -8.638 -7.412 2.633 1.00 0.00 C ATOM 445 CG LEU A 32 -9.216 -6.400 3.623 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.111 -4.989 3.066 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.663 -6.739 3.950 1.00 0.00 C ATOM 0 H LEU A 32 -7.740 -8.170 4.799 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.729 -9.189 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.599 -7.147 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.175 -7.315 1.689 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.635 -6.450 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.527 -4.282 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.064 -4.747 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.666 -4.925 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.057 -6.008 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.257 -6.718 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.713 -7.734 4.392 1.00 0.00 H new ATOM 459 N PHE A 33 -6.706 -9.567 1.851 1.00 0.00 N ATOM 460 CA PHE A 33 -5.940 -10.341 0.880 1.00 0.00 C ATOM 461 C PHE A 33 -6.386 -11.800 0.875 1.00 0.00 C ATOM 462 O PHE A 33 -6.786 -12.336 -0.159 1.00 0.00 O ATOM 463 CB PHE A 33 -4.445 -10.254 1.192 1.00 0.00 C ATOM 464 CG PHE A 33 -3.810 -8.972 0.732 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.545 -7.798 0.684 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.479 -8.942 0.347 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.964 -6.618 0.260 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.893 -7.764 -0.077 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.636 -6.601 -0.120 1.00 0.00 C ATOM 0 H PHE A 33 -6.157 -8.887 2.376 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.123 -9.920 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.300 -10.357 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.934 -11.093 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.583 -7.805 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.893 -9.849 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.548 -5.710 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.855 -7.753 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.180 -5.680 -0.450 1.00 0.00 H new ATOM 479 N LYS A 34 -6.312 -12.439 2.038 1.00 0.00 N ATOM 480 CA LYS A 34 -6.708 -13.836 2.170 1.00 0.00 C ATOM 481 C LYS A 34 -8.207 -14.001 1.943 1.00 0.00 C ATOM 482 O LYS A 34 -8.664 -15.048 1.485 1.00 0.00 O ATOM 483 CB LYS A 34 -6.330 -14.366 3.555 1.00 0.00 C ATOM 484 CG LYS A 34 -4.845 -14.268 3.859 1.00 0.00 C ATOM 485 CD LYS A 34 -4.592 -14.056 5.343 1.00 0.00 C ATOM 486 CE LYS A 34 -3.106 -14.084 5.665 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.551 -15.464 5.598 1.00 0.00 N ATOM 0 H LYS A 34 -5.981 -12.011 2.903 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.178 -14.411 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.885 -13.810 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.640 -15.408 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.345 -15.179 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.411 -13.444 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.014 -13.100 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.104 -14.830 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.570 -13.443 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.942 -13.675 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.205 -15.745 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.295 -16.123 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.765 -15.489 4.918 1.00 0.00 H new ATOM 501 N ALA A 35 -8.968 -12.960 2.265 1.00 0.00 N ATOM 502 CA ALA A 35 -10.415 -12.989 2.093 1.00 0.00 C ATOM 503 C ALA A 35 -10.791 -13.024 0.616 1.00 0.00 C ATOM 504 O ALA A 35 -11.368 -13.999 0.134 1.00 0.00 O ATOM 505 CB ALA A 35 -11.051 -11.786 2.773 1.00 0.00 C ATOM 0 H ALA A 35 -8.606 -12.086 2.646 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.794 -13.899 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.132 -11.820 2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.819 -11.805 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.659 -10.869 2.332 1.00 0.00 H new ATOM 511 N THR A 36 -10.462 -11.953 -0.100 1.00 0.00 N ATOM 512 CA THR A 36 -10.767 -11.860 -1.522 1.00 0.00 C ATOM 513 C THR A 36 -10.349 -13.128 -2.258 1.00 0.00 C ATOM 514 O THR A 36 -10.859 -13.427 -3.338 1.00 0.00 O ATOM 515 CB THR A 36 -10.067 -10.650 -2.169 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.446 -10.543 -3.546 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.555 -10.780 -2.063 1.00 0.00 C ATOM 0 H THR A 36 -9.984 -11.137 0.283 1.00 0.00 H new ATOM 0 HA THR A 36 -11.846 -11.733 -1.606 1.00 0.00 H new ATOM 0 HB THR A 36 -10.377 -9.751 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.998 -9.770 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.082 -9.914 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.267 -10.832 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.231 -11.687 -2.573 1.00 0.00 H new ATOM 525 N SER A 37 -9.420 -13.871 -1.666 1.00 0.00 N ATOM 526 CA SER A 37 -8.931 -15.107 -2.267 1.00 0.00 C ATOM 527 C SER A 37 -9.931 -16.241 -2.065 1.00 0.00 C ATOM 528 O SER A 37 -10.382 -16.514 -0.952 1.00 0.00 O ATOM 529 CB SER A 37 -7.578 -15.491 -1.666 1.00 0.00 C ATOM 530 OG SER A 37 -7.181 -16.784 -2.089 1.00 0.00 O ATOM 0 H SER A 37 -8.990 -13.639 -0.770 1.00 0.00 H new ATOM 0 HA SER A 37 -8.810 -14.939 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.825 -14.761 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.639 -15.463 -0.578 1.00 0.00 H new ATOM 0 HG SER A 37 -6.206 -16.861 -2.035 1.00 0.00 H new ATOM 536 N PRO A 38 -10.285 -16.920 -3.166 1.00 0.00 N ATOM 537 CA PRO A 38 -11.235 -18.036 -3.137 1.00 0.00 C ATOM 538 C PRO A 38 -10.660 -19.268 -2.445 1.00 0.00 C ATOM 539 O PRO A 38 -11.357 -20.263 -2.248 1.00 0.00 O ATOM 540 CB PRO A 38 -11.488 -18.325 -4.618 1.00 0.00 C ATOM 541 CG PRO A 38 -10.266 -17.836 -5.315 1.00 0.00 C ATOM 542 CD PRO A 38 -9.787 -16.649 -4.525 1.00 0.00 C ATOM 0 HA PRO A 38 -12.137 -17.789 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.644 -19.390 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.380 -17.810 -4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.502 -18.613 -5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.489 -17.556 -6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.700 -16.565 -4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.187 -15.715 -4.921 1.00 0.00 H new ATOM 550 N ARG A 39 -9.385 -19.193 -2.077 1.00 0.00 N ATOM 551 CA ARG A 39 -8.717 -20.302 -1.408 1.00 0.00 C ATOM 552 C ARG A 39 -8.136 -19.858 -0.068 1.00 0.00 C ATOM 553 O ARG A 39 -7.210 -20.478 0.454 1.00 0.00 O ATOM 554 CB ARG A 39 -7.606 -20.868 -2.295 1.00 0.00 C ATOM 555 CG ARG A 39 -8.119 -21.724 -3.441 1.00 0.00 C ATOM 556 CD ARG A 39 -7.119 -22.805 -3.820 1.00 0.00 C ATOM 557 NE ARG A 39 -7.622 -23.667 -4.886 1.00 0.00 N ATOM 558 CZ ARG A 39 -7.102 -24.854 -5.178 1.00 0.00 C ATOM 559 NH1 ARG A 39 -6.070 -25.318 -4.487 1.00 0.00 N ATOM 560 NH2 ARG A 39 -7.615 -25.580 -6.163 1.00 0.00 N ATOM 0 H ARG A 39 -8.794 -18.376 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.457 -21.081 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.022 -20.043 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.931 -21.464 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.065 -22.185 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.320 -21.093 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.186 -22.340 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.889 -23.410 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.416 -23.340 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.673 -24.763 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.673 -26.230 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.409 -25.227 -6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.215 -26.491 -6.387 1.00 0.00 H new ATOM 574 N GLY A 40 -8.686 -18.780 0.482 1.00 0.00 N ATOM 575 CA GLY A 40 -8.210 -18.271 1.754 1.00 0.00 C ATOM 576 C GLY A 40 -6.698 -18.164 1.807 1.00 0.00 C ATOM 577 O GLY A 40 -6.090 -18.391 2.852 1.00 0.00 O ATOM 0 H GLY A 40 -9.453 -18.250 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.647 -17.289 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.553 -18.926 2.555 1.00 0.00 H new ATOM 581 N GLU A 41 -6.092 -17.819 0.675 1.00 0.00 N ATOM 582 CA GLU A 41 -4.642 -17.685 0.597 1.00 0.00 C ATOM 583 C GLU A 41 -4.239 -16.809 -0.586 1.00 0.00 C ATOM 584 O GLU A 41 -4.458 -17.153 -1.748 1.00 0.00 O ATOM 585 CB GLU A 41 -3.986 -19.062 0.473 1.00 0.00 C ATOM 586 CG GLU A 41 -4.383 -19.814 -0.787 1.00 0.00 C ATOM 587 CD GLU A 41 -3.935 -21.262 -0.768 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.772 -21.518 -0.390 1.00 0.00 O ATOM 589 OE2 GLU A 41 -4.746 -22.140 -1.130 1.00 0.00 O ATOM 0 H GLU A 41 -6.582 -17.628 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.297 -17.208 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.903 -18.942 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.252 -19.662 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.466 -19.774 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.951 -19.315 -1.655 1.00 0.00 H new ATOM 596 N PRO A 42 -3.637 -15.649 -0.285 1.00 0.00 N ATOM 597 CA PRO A 42 -3.191 -14.700 -1.308 1.00 0.00 C ATOM 598 C PRO A 42 -2.001 -15.223 -2.106 1.00 0.00 C ATOM 599 O PRO A 42 -1.255 -16.080 -1.633 1.00 0.00 O ATOM 600 CB PRO A 42 -2.789 -13.466 -0.497 1.00 0.00 C ATOM 601 CG PRO A 42 -2.440 -13.996 0.851 1.00 0.00 C ATOM 602 CD PRO A 42 -3.344 -15.176 1.079 1.00 0.00 C ATOM 0 HA PRO A 42 -3.967 -14.506 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.942 -12.952 -0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.606 -12.746 -0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.392 -14.293 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.588 -13.237 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.856 -15.947 1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.252 -14.890 1.609 1.00 0.00 H new ATOM 610 N GLN A 43 -1.830 -14.702 -3.316 1.00 0.00 N ATOM 611 CA GLN A 43 -0.731 -15.118 -4.179 1.00 0.00 C ATOM 612 C GLN A 43 0.497 -14.240 -3.957 1.00 0.00 C ATOM 613 O GLN A 43 0.380 -13.029 -3.768 1.00 0.00 O ATOM 614 CB GLN A 43 -1.156 -15.060 -5.647 1.00 0.00 C ATOM 615 CG GLN A 43 -2.235 -16.068 -6.008 1.00 0.00 C ATOM 616 CD GLN A 43 -3.634 -15.506 -5.852 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.399 -15.945 -4.992 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.977 -14.530 -6.683 1.00 0.00 N ATOM 0 H GLN A 43 -2.439 -13.991 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.472 -16.146 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.518 -14.057 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.283 -15.233 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.092 -16.395 -7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.129 -16.950 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.312 -14.197 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.906 -14.113 -6.624 1.00 0.00 H new ATOM 627 N ASP A 44 1.672 -14.859 -3.982 1.00 0.00 N ATOM 628 CA ASP A 44 2.922 -14.134 -3.785 1.00 0.00 C ATOM 629 C ASP A 44 2.995 -12.917 -4.702 1.00 0.00 C ATOM 630 O ASP A 44 2.830 -13.031 -5.916 1.00 0.00 O ATOM 631 CB ASP A 44 4.116 -15.054 -4.042 1.00 0.00 C ATOM 632 CG ASP A 44 5.440 -14.318 -3.971 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.894 -14.020 -2.846 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.023 -14.041 -5.040 1.00 0.00 O ATOM 0 H ASP A 44 1.785 -15.861 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 44 2.954 -13.790 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.113 -15.862 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.012 -15.514 -5.025 1.00 0.00 H new ATOM 639 N GLY A 45 3.242 -11.751 -4.112 1.00 0.00 N ATOM 640 CA GLY A 45 3.331 -10.530 -4.891 1.00 0.00 C ATOM 641 C GLY A 45 2.124 -9.633 -4.702 1.00 0.00 C ATOM 642 O GLY A 45 2.138 -8.468 -5.102 1.00 0.00 O ATOM 0 H GLY A 45 3.382 -11.631 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.232 -9.986 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.431 -10.783 -5.947 1.00 0.00 H new ATOM 646 N LEU A 46 1.076 -10.175 -4.092 1.00 0.00 N ATOM 647 CA LEU A 46 -0.146 -9.416 -3.852 1.00 0.00 C ATOM 648 C LEU A 46 0.164 -8.080 -3.183 1.00 0.00 C ATOM 649 O LEU A 46 0.581 -8.036 -2.026 1.00 0.00 O ATOM 650 CB LEU A 46 -1.109 -10.224 -2.980 1.00 0.00 C ATOM 651 CG LEU A 46 -2.598 -9.949 -3.192 1.00 0.00 C ATOM 652 CD1 LEU A 46 -2.961 -10.078 -4.663 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.441 -10.894 -2.348 1.00 0.00 C ATOM 0 H LEU A 46 1.048 -11.137 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.616 -9.218 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.927 -11.284 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.870 -10.031 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.807 -8.927 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.025 -9.879 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.383 -9.360 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.736 -11.088 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.498 -10.683 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.228 -11.924 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.202 -10.752 -1.294 1.00 0.00 H new ATOM 665 N TYR A 47 -0.044 -6.994 -3.919 1.00 0.00 N ATOM 666 CA TYR A 47 0.214 -5.657 -3.397 1.00 0.00 C ATOM 667 C TYR A 47 -1.045 -4.797 -3.457 1.00 0.00 C ATOM 668 O TYR A 47 -2.009 -5.135 -4.144 1.00 0.00 O ATOM 669 CB TYR A 47 1.341 -4.988 -4.186 1.00 0.00 C ATOM 670 CG TYR A 47 0.990 -4.717 -5.632 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.168 -5.693 -6.604 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.480 -3.486 -6.024 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.849 -5.450 -7.926 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.157 -3.235 -7.344 1.00 0.00 C ATOM 675 CZ TYR A 47 0.344 -4.219 -8.291 1.00 0.00 C ATOM 676 OH TYR A 47 0.025 -3.974 -9.607 1.00 0.00 O ATOM 0 H TYR A 47 -0.390 -7.013 -4.878 1.00 0.00 H new ATOM 0 HA TYR A 47 0.517 -5.753 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.603 -4.047 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.226 -5.623 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.562 -6.658 -6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.333 -2.712 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.994 -6.219 -8.670 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.240 -2.273 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.319 -3.061 -9.696 1.00 0.00 H new ATOM 686 N CYS A 48 -1.027 -3.683 -2.733 1.00 0.00 N ATOM 687 CA CYS A 48 -2.166 -2.773 -2.703 1.00 0.00 C ATOM 688 C CYS A 48 -1.747 -1.393 -2.206 1.00 0.00 C ATOM 689 O CYS A 48 -0.564 -1.139 -1.976 1.00 0.00 O ATOM 690 CB CYS A 48 -3.272 -3.336 -1.808 1.00 0.00 C ATOM 691 SG CYS A 48 -3.129 -2.860 -0.070 1.00 0.00 S ATOM 0 H CYS A 48 -0.237 -3.389 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.546 -2.673 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.237 -3.001 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.263 -4.424 -1.878 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.109 -3.383 0.605 1.00 0.00 H new ATOM 697 N ILE A 49 -2.723 -0.506 -2.045 1.00 0.00 N ATOM 698 CA ILE A 49 -2.454 0.848 -1.576 1.00 0.00 C ATOM 699 C ILE A 49 -3.517 1.307 -0.583 1.00 0.00 C ATOM 700 O ILE A 49 -4.642 1.625 -0.966 1.00 0.00 O ATOM 701 CB ILE A 49 -2.395 1.847 -2.746 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.283 1.459 -3.722 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.181 3.261 -2.225 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.366 2.178 -5.050 1.00 0.00 C ATOM 0 H ILE A 49 -3.707 -0.700 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.484 0.824 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.346 1.817 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.317 1.671 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.323 0.384 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.141 3.956 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.005 3.534 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.243 3.307 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.546 1.854 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.316 1.946 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.295 3.253 -4.887 1.00 0.00 H new ATOM 716 N ARG A 50 -3.150 1.340 0.694 1.00 0.00 N ATOM 717 CA ARG A 50 -4.072 1.761 1.743 1.00 0.00 C ATOM 718 C ARG A 50 -3.712 3.152 2.256 1.00 0.00 C ATOM 719 O ARG A 50 -2.717 3.741 1.837 1.00 0.00 O ATOM 720 CB ARG A 50 -4.054 0.759 2.898 1.00 0.00 C ATOM 721 CG ARG A 50 -2.778 0.802 3.723 1.00 0.00 C ATOM 722 CD ARG A 50 -2.892 -0.061 4.970 1.00 0.00 C ATOM 723 NE ARG A 50 -1.628 -0.140 5.698 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.188 0.813 6.512 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.906 1.911 6.702 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.027 0.668 7.139 1.00 0.00 N ATOM 0 H ARG A 50 -2.222 1.081 1.027 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.075 1.798 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.905 0.954 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.184 -0.246 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.940 0.459 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.563 1.831 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.662 0.347 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.212 -1.064 4.689 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.052 -0.973 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.799 2.026 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.566 2.641 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.528 -0.176 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.310 1.400 7.764 1.00 0.00 H new ATOM 740 N ASN A 51 -4.530 3.671 3.166 1.00 0.00 N ATOM 741 CA ASN A 51 -4.299 4.993 3.736 1.00 0.00 C ATOM 742 C ASN A 51 -3.554 4.891 5.063 1.00 0.00 C ATOM 743 O ASN A 51 -3.518 3.830 5.686 1.00 0.00 O ATOM 744 CB ASN A 51 -5.628 5.723 3.939 1.00 0.00 C ATOM 745 CG ASN A 51 -6.150 6.343 2.657 1.00 0.00 C ATOM 746 OD1 ASN A 51 -5.989 7.541 2.424 1.00 0.00 O ATOM 747 ND2 ASN A 51 -6.779 5.527 1.819 1.00 0.00 N ATOM 0 H ASN A 51 -5.359 3.196 3.524 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.684 5.560 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.368 5.023 4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.500 6.502 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.152 5.887 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.889 4.541 2.054 1.00 0.00 H new ATOM 830 N LYS A 58 -0.858 7.822 1.917 1.00 0.00 N ATOM 831 CA LYS A 58 -0.958 6.458 1.411 1.00 0.00 C ATOM 832 C LYS A 58 0.293 5.656 1.758 1.00 0.00 C ATOM 833 O LYS A 58 1.354 6.224 2.019 1.00 0.00 O ATOM 834 CB LYS A 58 -1.165 6.468 -0.105 1.00 0.00 C ATOM 835 CG LYS A 58 -2.508 7.037 -0.531 1.00 0.00 C ATOM 836 CD LYS A 58 -3.643 6.072 -0.229 1.00 0.00 C ATOM 837 CE LYS A 58 -4.783 6.224 -1.224 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.482 7.530 -1.072 1.00 0.00 N ATOM 0 HA LYS A 58 -1.817 5.983 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.369 7.051 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.075 5.449 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.685 7.981 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.489 7.256 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.269 5.049 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.014 6.249 0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.394 6.136 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.497 5.412 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.252 7.595 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.876 7.603 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.807 8.305 -1.229 1.00 0.00 H new ATOM 852 N VAL A 59 0.161 4.333 1.757 1.00 0.00 N ATOM 853 CA VAL A 59 1.281 3.454 2.069 1.00 0.00 C ATOM 854 C VAL A 59 1.185 2.145 1.293 1.00 0.00 C ATOM 855 O VAL A 59 0.262 1.356 1.496 1.00 0.00 O ATOM 856 CB VAL A 59 1.346 3.140 3.576 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.489 2.182 3.874 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.491 4.423 4.381 1.00 0.00 C ATOM 0 H VAL A 59 -0.710 3.847 1.544 1.00 0.00 H new ATOM 0 HA VAL A 59 2.188 3.982 1.776 1.00 0.00 H new ATOM 0 HB VAL A 59 0.414 2.657 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.519 1.972 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.337 1.252 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.432 2.634 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.535 4.183 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.407 4.936 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.635 5.071 4.191 1.00 0.00 H new ATOM 868 N LEU A 60 2.145 1.921 0.402 1.00 0.00 N ATOM 869 CA LEU A 60 2.170 0.706 -0.406 1.00 0.00 C ATOM 870 C LEU A 60 2.408 -0.523 0.465 1.00 0.00 C ATOM 871 O LEU A 60 3.443 -0.640 1.122 1.00 0.00 O ATOM 872 CB LEU A 60 3.258 0.805 -1.477 1.00 0.00 C ATOM 873 CG LEU A 60 3.711 -0.517 -2.097 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.659 -1.043 -3.061 1.00 0.00 C ATOM 875 CD2 LEU A 60 5.047 -0.344 -2.805 1.00 0.00 C ATOM 0 H LEU A 60 2.916 2.564 0.221 1.00 0.00 H new ATOM 0 HA LEU A 60 1.199 0.602 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.896 1.453 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.128 1.295 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 60 3.838 -1.246 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.999 -1.984 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.724 -1.206 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.499 -0.316 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.354 -1.295 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.947 0.401 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.799 -0.014 -2.088 1.00 0.00 H new ATOM 887 N VAL A 61 1.444 -1.438 0.465 1.00 0.00 N ATOM 888 CA VAL A 61 1.550 -2.660 1.252 1.00 0.00 C ATOM 889 C VAL A 61 1.589 -3.891 0.354 1.00 0.00 C ATOM 890 O VAL A 61 0.637 -4.171 -0.376 1.00 0.00 O ATOM 891 CB VAL A 61 0.376 -2.795 2.240 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.394 -4.162 2.907 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.424 -1.685 3.279 1.00 0.00 C ATOM 0 H VAL A 61 0.580 -1.356 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 61 2.482 -2.595 1.814 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.557 -2.701 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.443 -4.239 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.308 -4.939 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.330 -4.289 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.413 -1.796 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.361 -1.745 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.358 -0.718 2.781 1.00 0.00 H new ATOM 903 N VAL A 62 2.695 -4.626 0.412 1.00 0.00 N ATOM 904 CA VAL A 62 2.857 -5.829 -0.395 1.00 0.00 C ATOM 905 C VAL A 62 2.754 -7.085 0.463 1.00 0.00 C ATOM 906 O VAL A 62 3.029 -7.054 1.663 1.00 0.00 O ATOM 907 CB VAL A 62 4.211 -5.834 -1.130 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.263 -6.965 -2.146 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.456 -4.491 -1.802 1.00 0.00 C ATOM 0 H VAL A 62 3.492 -4.409 1.010 1.00 0.00 H new ATOM 0 HA VAL A 62 2.052 -5.827 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 62 5.002 -5.999 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.227 -6.953 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.135 -7.919 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.465 -6.835 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.417 -4.512 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.662 -4.295 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.465 -3.703 -1.049 1.00 0.00 H new ATOM 919 N TRP A 63 2.355 -8.189 -0.159 1.00 0.00 N ATOM 920 CA TRP A 63 2.216 -9.456 0.548 1.00 0.00 C ATOM 921 C TRP A 63 3.457 -10.322 0.364 1.00 0.00 C ATOM 922 O TRP A 63 3.765 -10.752 -0.748 1.00 0.00 O ATOM 923 CB TRP A 63 0.977 -10.206 0.054 1.00 0.00 C ATOM 924 CG TRP A 63 0.906 -11.621 0.542 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.186 -12.750 -0.174 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.527 -12.058 1.852 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.005 -13.862 0.612 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.601 -13.465 1.859 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.134 -11.398 3.019 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.296 -14.220 2.989 1.00 0.00 C ATOM 931 CZ3 TRP A 63 -0.169 -12.149 4.139 1.00 0.00 C ATOM 932 CH2 TRP A 63 -0.086 -13.548 4.118 1.00 0.00 C ATOM 0 H TRP A 63 2.122 -8.232 -1.151 1.00 0.00 H new ATOM 0 HA TRP A 63 2.102 -9.240 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.084 -9.672 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.971 -10.204 -1.036 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.503 -12.766 -1.206 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.148 -14.827 0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.068 -10.320 3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.359 -15.298 2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.475 -11.649 5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.328 -14.106 5.010 1.00 0.00 H new ATOM 943 N ASP A 64 4.165 -10.575 1.459 1.00 0.00 N ATOM 944 CA ASP A 64 5.372 -11.392 1.417 1.00 0.00 C ATOM 945 C ASP A 64 5.036 -12.869 1.598 1.00 0.00 C ATOM 946 O ASP A 64 5.259 -13.439 2.666 1.00 0.00 O ATOM 947 CB ASP A 64 6.355 -10.943 2.500 1.00 0.00 C ATOM 948 CG ASP A 64 7.742 -11.520 2.298 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.082 -11.859 1.145 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.488 -11.632 3.293 1.00 0.00 O ATOM 0 H ASP A 64 3.924 -10.226 2.387 1.00 0.00 H new ATOM 0 HA ASP A 64 5.836 -11.261 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.414 -9.855 2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.978 -11.245 3.477 1.00 0.00 H new ATOM 955 N GLU A 65 4.497 -13.481 0.548 1.00 0.00 N ATOM 956 CA GLU A 65 4.129 -14.891 0.594 1.00 0.00 C ATOM 957 C GLU A 65 5.266 -15.733 1.165 1.00 0.00 C ATOM 958 O GLU A 65 5.034 -16.734 1.843 1.00 0.00 O ATOM 959 CB GLU A 65 3.763 -15.391 -0.806 1.00 0.00 C ATOM 960 CG GLU A 65 3.582 -16.897 -0.886 1.00 0.00 C ATOM 961 CD GLU A 65 2.574 -17.308 -1.941 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.359 -17.226 -1.665 1.00 0.00 O ATOM 963 OE2 GLU A 65 3.000 -17.711 -3.044 1.00 0.00 O ATOM 0 H GLU A 65 4.306 -13.023 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 65 3.262 -14.992 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.841 -14.905 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.543 -15.089 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.542 -17.363 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.260 -17.273 0.085 1.00 0.00 H new ATOM 970 N THR A 66 6.499 -15.319 0.885 1.00 0.00 N ATOM 971 CA THR A 66 7.673 -16.035 1.369 1.00 0.00 C ATOM 972 C THR A 66 7.685 -16.106 2.891 1.00 0.00 C ATOM 973 O THR A 66 8.139 -17.091 3.473 1.00 0.00 O ATOM 974 CB THR A 66 8.975 -15.367 0.887 1.00 0.00 C ATOM 975 OG1 THR A 66 9.098 -14.062 1.462 1.00 0.00 O ATOM 976 CG2 THR A 66 9.001 -15.264 -0.630 1.00 0.00 C ATOM 0 H THR A 66 6.710 -14.492 0.326 1.00 0.00 H new ATOM 0 HA THR A 66 7.618 -17.045 0.962 1.00 0.00 H new ATOM 0 HB THR A 66 9.814 -15.984 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.613 -13.414 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.930 -14.789 -0.947 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.938 -16.262 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.154 -14.667 -0.969 1.00 0.00 H new ATOM 984 N SER A 67 7.182 -15.056 3.532 1.00 0.00 N ATOM 985 CA SER A 67 7.138 -14.999 4.989 1.00 0.00 C ATOM 986 C SER A 67 5.704 -15.125 5.494 1.00 0.00 C ATOM 987 O SER A 67 5.468 -15.269 6.693 1.00 0.00 O ATOM 988 CB SER A 67 7.753 -13.689 5.488 1.00 0.00 C ATOM 989 OG SER A 67 9.163 -13.791 5.579 1.00 0.00 O ATOM 0 H SER A 67 6.799 -14.233 3.066 1.00 0.00 H new ATOM 0 HA SER A 67 7.717 -15.836 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.487 -12.877 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.339 -13.438 6.465 1.00 0.00 H new ATOM 0 HG SER A 67 9.533 -12.941 5.898 1.00 0.00 H new ATOM 995 N ASN A 68 4.751 -15.071 4.570 1.00 0.00 N ATOM 996 CA ASN A 68 3.339 -15.179 4.921 1.00 0.00 C ATOM 997 C ASN A 68 2.893 -13.982 5.755 1.00 0.00 C ATOM 998 O ASN A 68 2.130 -14.127 6.711 1.00 0.00 O ATOM 999 CB ASN A 68 3.081 -16.476 5.691 1.00 0.00 C ATOM 1000 CG ASN A 68 1.607 -16.822 5.764 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.868 -16.649 4.794 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.171 -17.312 6.918 1.00 0.00 N ATOM 0 H ASN A 68 4.930 -14.953 3.573 1.00 0.00 H new ATOM 0 HA ASN A 68 2.760 -15.192 3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.620 -17.293 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.479 -16.381 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.188 -17.562 7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.819 -17.439 7.696 1.00 0.00 H new ATOM 1009 N LYS A 69 3.373 -12.799 5.386 1.00 0.00 N ATOM 1010 CA LYS A 69 3.022 -11.576 6.098 1.00 0.00 C ATOM 1011 C LYS A 69 2.933 -10.394 5.137 1.00 0.00 C ATOM 1012 O LYS A 69 3.175 -10.536 3.938 1.00 0.00 O ATOM 1013 CB LYS A 69 4.055 -11.282 7.188 1.00 0.00 C ATOM 1014 CG LYS A 69 5.478 -11.175 6.666 1.00 0.00 C ATOM 1015 CD LYS A 69 6.485 -11.108 7.802 1.00 0.00 C ATOM 1016 CE LYS A 69 6.745 -9.673 8.232 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.777 -9.018 7.382 1.00 0.00 N ATOM 0 H LYS A 69 4.006 -12.661 4.598 1.00 0.00 H new ATOM 0 HA LYS A 69 2.046 -11.722 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.789 -10.350 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.011 -12.070 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.700 -12.034 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.572 -10.286 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.115 -11.682 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.421 -11.570 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.817 -9.104 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.069 -9.659 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.926 -8.041 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.670 -9.546 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.457 -9.009 6.393 1.00 0.00 H new ATOM 1031 N VAL A 70 2.585 -9.228 5.671 1.00 0.00 N ATOM 1032 CA VAL A 70 2.467 -8.021 4.861 1.00 0.00 C ATOM 1033 C VAL A 70 3.541 -7.004 5.229 1.00 0.00 C ATOM 1034 O VAL A 70 3.985 -6.943 6.376 1.00 0.00 O ATOM 1035 CB VAL A 70 1.081 -7.369 5.025 1.00 0.00 C ATOM 1036 CG1 VAL A 70 -0.020 -8.365 4.693 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.912 -6.825 6.436 1.00 0.00 C ATOM 0 H VAL A 70 2.380 -9.093 6.661 1.00 0.00 H new ATOM 0 HA VAL A 70 2.598 -8.323 3.822 1.00 0.00 H new ATOM 0 HB VAL A 70 1.006 -6.535 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.992 -7.887 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.093 -8.702 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.049 -9.221 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.073 -6.368 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.007 -7.640 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.680 -6.077 6.632 1.00 0.00 H new ATOM 1047 N ARG A 71 3.955 -6.207 4.249 1.00 0.00 N ATOM 1048 CA ARG A 71 4.978 -5.193 4.470 1.00 0.00 C ATOM 1049 C ARG A 71 4.369 -3.794 4.454 1.00 0.00 C ATOM 1050 O ARG A 71 3.161 -3.634 4.290 1.00 0.00 O ATOM 1051 CB ARG A 71 6.069 -5.298 3.402 1.00 0.00 C ATOM 1052 CG ARG A 71 6.825 -6.616 3.432 1.00 0.00 C ATOM 1053 CD ARG A 71 7.852 -6.644 4.553 1.00 0.00 C ATOM 1054 NE ARG A 71 8.866 -7.673 4.341 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.989 -7.754 5.046 1.00 0.00 C ATOM 1056 NH1 ARG A 71 10.240 -6.873 6.004 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.864 -8.720 4.794 1.00 0.00 N ATOM 0 H ARG A 71 3.597 -6.244 3.294 1.00 0.00 H new ATOM 0 HA ARG A 71 5.421 -5.367 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.616 -5.171 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.777 -4.480 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.121 -7.438 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.324 -6.772 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.335 -5.669 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.347 -6.823 5.502 1.00 0.00 H new ATOM 0 HE ARG A 71 8.703 -8.367 3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.570 -6.130 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.103 -6.938 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.674 -9.401 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.726 -8.781 5.336 1.00 0.00 H new ATOM 1071 N ASN A 72 5.216 -2.784 4.627 1.00 0.00 N ATOM 1072 CA ASN A 72 4.761 -1.398 4.634 1.00 0.00 C ATOM 1073 C ASN A 72 5.720 -0.507 3.851 1.00 0.00 C ATOM 1074 O ASN A 72 6.921 -0.481 4.122 1.00 0.00 O ATOM 1075 CB ASN A 72 4.632 -0.889 6.071 1.00 0.00 C ATOM 1076 CG ASN A 72 4.138 -1.962 7.022 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.883 -2.437 7.880 1.00 0.00 O ATOM 1078 ND2 ASN A 72 2.877 -2.350 6.873 1.00 0.00 N ATOM 0 H ASN A 72 6.220 -2.899 4.764 1.00 0.00 H new ATOM 0 HA ASN A 72 3.783 -1.360 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.600 -0.523 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.945 -0.043 6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.489 -3.069 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.296 -1.929 6.148 1.00 0.00 H new ATOM 1085 N TYR A 73 5.182 0.223 2.881 1.00 0.00 N ATOM 1086 CA TYR A 73 5.990 1.115 2.058 1.00 0.00 C ATOM 1087 C TYR A 73 5.321 2.479 1.913 1.00 0.00 C ATOM 1088 O TYR A 73 4.497 2.687 1.022 1.00 0.00 O ATOM 1089 CB TYR A 73 6.221 0.499 0.677 1.00 0.00 C ATOM 1090 CG TYR A 73 7.072 -0.750 0.705 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.519 -1.984 1.029 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.428 -0.698 0.411 1.00 0.00 C ATOM 1093 CE1 TYR A 73 7.293 -3.128 1.057 1.00 0.00 C ATOM 1094 CE2 TYR A 73 9.209 -1.837 0.435 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.637 -3.049 0.759 1.00 0.00 C ATOM 1096 OH TYR A 73 9.412 -4.186 0.786 1.00 0.00 O ATOM 0 H TYR A 73 4.190 0.215 2.645 1.00 0.00 H new ATOM 0 HA TYR A 73 6.951 1.253 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.256 0.261 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.698 1.239 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.467 -2.049 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.880 0.250 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.848 -4.079 1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.262 -1.779 0.201 1.00 0.00 H new ATOM 0 HH TYR A 73 10.359 -3.936 0.809 1.00 0.00 H new ATOM 1106 N ARG A 74 5.682 3.404 2.796 1.00 0.00 N ATOM 1107 CA ARG A 74 5.117 4.748 2.769 1.00 0.00 C ATOM 1108 C ARG A 74 5.290 5.382 1.392 1.00 0.00 C ATOM 1109 O ARG A 74 6.362 5.301 0.791 1.00 0.00 O ATOM 1110 CB ARG A 74 5.780 5.624 3.833 1.00 0.00 C ATOM 1111 CG ARG A 74 5.286 7.062 3.832 1.00 0.00 C ATOM 1112 CD ARG A 74 5.614 7.765 5.140 1.00 0.00 C ATOM 1113 NE ARG A 74 5.108 9.134 5.168 1.00 0.00 N ATOM 1114 CZ ARG A 74 5.398 10.006 6.127 1.00 0.00 C ATOM 1115 NH1 ARG A 74 6.187 9.652 7.132 1.00 0.00 N ATOM 1116 NH2 ARG A 74 4.898 11.234 6.082 1.00 0.00 N ATOM 0 H ARG A 74 6.363 3.248 3.539 1.00 0.00 H new ATOM 0 HA ARG A 74 4.051 4.672 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.599 5.187 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.859 5.619 3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.741 7.604 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.208 7.077 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.186 7.203 5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.694 7.775 5.285 1.00 0.00 H new ATOM 0 HE ARG A 74 4.498 9.438 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.573 8.708 7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.408 10.323 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.290 11.509 5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.121 11.903 6.819 1.00 0.00 H new ATOM 1130 N ILE A 75 4.230 6.012 0.899 1.00 0.00 N ATOM 1131 CA ILE A 75 4.265 6.661 -0.406 1.00 0.00 C ATOM 1132 C ILE A 75 4.305 8.178 -0.265 1.00 0.00 C ATOM 1133 O ILE A 75 3.266 8.838 -0.241 1.00 0.00 O ATOM 1134 CB ILE A 75 3.047 6.268 -1.263 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.030 4.757 -1.503 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.066 7.019 -2.586 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.687 4.233 -1.961 1.00 0.00 C ATOM 0 H ILE A 75 3.336 6.087 1.383 1.00 0.00 H new ATOM 0 HA ILE A 75 5.174 6.321 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 75 2.140 6.542 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.783 4.508 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.315 4.248 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.199 6.731 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.035 8.092 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.978 6.773 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.749 3.155 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.934 4.451 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.409 4.715 -2.898 1.00 0.00 H new ATOM 1149 N PHE A 76 5.512 8.727 -0.175 1.00 0.00 N ATOM 1150 CA PHE A 76 5.689 10.168 -0.037 1.00 0.00 C ATOM 1151 C PHE A 76 5.280 10.891 -1.317 1.00 0.00 C ATOM 1152 O PHE A 76 5.028 10.261 -2.344 1.00 0.00 O ATOM 1153 CB PHE A 76 7.144 10.494 0.304 1.00 0.00 C ATOM 1154 CG PHE A 76 7.621 9.852 1.575 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.370 10.445 2.803 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.320 8.656 1.543 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.807 9.856 3.974 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.759 8.063 2.712 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.503 8.664 3.929 1.00 0.00 C ATOM 0 H PHE A 76 6.382 8.196 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 76 5.047 10.512 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.782 10.171 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.255 11.575 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.827 11.378 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.524 8.182 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.604 10.328 4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.302 7.130 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.846 8.203 4.843 1.00 0.00 H new ATOM 1169 N GLU A 77 5.216 12.217 -1.246 1.00 0.00 N ATOM 1170 CA GLU A 77 4.837 13.025 -2.399 1.00 0.00 C ATOM 1171 C GLU A 77 5.772 14.220 -2.558 1.00 0.00 C ATOM 1172 O GLU A 77 5.649 15.219 -1.848 1.00 0.00 O ATOM 1173 CB GLU A 77 3.392 13.510 -2.257 1.00 0.00 C ATOM 1174 CG GLU A 77 2.843 14.163 -3.514 1.00 0.00 C ATOM 1175 CD GLU A 77 1.665 15.075 -3.230 1.00 0.00 C ATOM 1176 OE1 GLU A 77 0.545 14.555 -3.040 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.862 16.307 -3.198 1.00 0.00 O ATOM 0 H GLU A 77 5.421 12.754 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 77 4.918 12.401 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.758 12.664 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.336 14.222 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.634 14.737 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.537 13.389 -4.217 1.00 0.00 H new ATOM 1184 N LYS A 78 6.710 14.110 -3.493 1.00 0.00 N ATOM 1185 CA LYS A 78 7.667 15.180 -3.747 1.00 0.00 C ATOM 1186 C LYS A 78 7.751 15.492 -5.238 1.00 0.00 C ATOM 1187 O LYS A 78 7.706 14.590 -6.074 1.00 0.00 O ATOM 1188 CB LYS A 78 9.050 14.791 -3.218 1.00 0.00 C ATOM 1189 CG LYS A 78 10.184 15.587 -3.839 1.00 0.00 C ATOM 1190 CD LYS A 78 11.538 15.114 -3.336 1.00 0.00 C ATOM 1191 CE LYS A 78 11.881 15.736 -1.992 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.907 14.942 -1.259 1.00 0.00 N ATOM 0 H LYS A 78 6.828 13.290 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 78 7.323 16.073 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.069 14.930 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.216 13.730 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.145 15.492 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.058 16.644 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.534 14.028 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.308 15.370 -4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.248 16.751 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.978 15.811 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.114 15.399 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.547 13.981 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.777 14.892 -1.826 1.00 0.00 H new ATOM 1206 N ASP A 79 7.874 16.774 -5.563 1.00 0.00 N ATOM 1207 CA ASP A 79 7.966 17.205 -6.953 1.00 0.00 C ATOM 1208 C ASP A 79 6.854 16.582 -7.790 1.00 0.00 C ATOM 1209 O ASP A 79 7.015 16.366 -8.991 1.00 0.00 O ATOM 1210 CB ASP A 79 9.331 16.832 -7.535 1.00 0.00 C ATOM 1211 CG ASP A 79 9.643 17.590 -8.810 1.00 0.00 C ATOM 1212 OD1 ASP A 79 9.603 18.838 -8.782 1.00 0.00 O ATOM 1213 OD2 ASP A 79 9.928 16.936 -9.835 1.00 0.00 O ATOM 0 H ASP A 79 7.912 17.533 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 79 7.852 18.289 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.106 17.036 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.356 15.761 -7.737 1.00 0.00 H new ATOM 1218 N SER A 80 5.727 16.294 -7.148 1.00 0.00 N ATOM 1219 CA SER A 80 4.589 15.691 -7.832 1.00 0.00 C ATOM 1220 C SER A 80 4.943 14.302 -8.354 1.00 0.00 C ATOM 1221 O SER A 80 4.470 13.883 -9.411 1.00 0.00 O ATOM 1222 CB SER A 80 4.132 16.582 -8.989 1.00 0.00 C ATOM 1223 OG SER A 80 3.166 17.524 -8.557 1.00 0.00 O ATOM 0 H SER A 80 5.577 16.469 -6.154 1.00 0.00 H new ATOM 0 HA SER A 80 3.775 15.594 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.991 17.104 -9.411 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.713 15.965 -9.784 1.00 0.00 H new ATOM 0 HG SER A 80 2.892 18.082 -9.314 1.00 0.00 H new ATOM 1229 N LYS A 81 5.780 13.592 -7.606 1.00 0.00 N ATOM 1230 CA LYS A 81 6.199 12.249 -7.990 1.00 0.00 C ATOM 1231 C LYS A 81 6.289 11.337 -6.770 1.00 0.00 C ATOM 1232 O LYS A 81 7.132 11.536 -5.895 1.00 0.00 O ATOM 1233 CB LYS A 81 7.552 12.299 -8.704 1.00 0.00 C ATOM 1234 CG LYS A 81 7.605 13.310 -9.836 1.00 0.00 C ATOM 1235 CD LYS A 81 8.562 12.870 -10.931 1.00 0.00 C ATOM 1236 CE LYS A 81 8.765 13.966 -11.967 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.133 13.409 -13.298 1.00 0.00 N ATOM 0 H LYS A 81 6.182 13.924 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 81 5.451 11.843 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.328 12.539 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.781 11.310 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.607 13.442 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.917 14.279 -9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.522 12.602 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.173 11.975 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.851 14.553 -12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.547 14.645 -11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.263 14.187 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.019 12.870 -13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.375 12.780 -13.633 1.00 0.00 H new ATOM 1251 N PHE A 82 5.416 10.337 -6.719 1.00 0.00 N ATOM 1252 CA PHE A 82 5.398 9.394 -5.606 1.00 0.00 C ATOM 1253 C PHE A 82 6.749 8.700 -5.459 1.00 0.00 C ATOM 1254 O PHE A 82 7.257 8.100 -6.406 1.00 0.00 O ATOM 1255 CB PHE A 82 4.296 8.352 -5.811 1.00 0.00 C ATOM 1256 CG PHE A 82 2.984 8.944 -6.239 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.273 9.776 -5.389 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.460 8.668 -7.492 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.065 10.320 -5.780 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.252 9.210 -7.889 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.554 10.038 -7.032 1.00 0.00 C ATOM 0 H PHE A 82 4.712 10.158 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 82 5.195 9.953 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.623 7.632 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.151 7.801 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.668 10.002 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.002 8.022 -8.166 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.520 10.966 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.855 8.986 -8.868 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.389 10.464 -7.340 1.00 0.00 H new ATOM 1271 N TYR A 83 7.325 8.788 -4.265 1.00 0.00 N ATOM 1272 CA TYR A 83 8.618 8.172 -3.994 1.00 0.00 C ATOM 1273 C TYR A 83 8.595 7.418 -2.668 1.00 0.00 C ATOM 1274 O TYR A 83 7.808 7.734 -1.774 1.00 0.00 O ATOM 1275 CB TYR A 83 9.718 9.235 -3.970 1.00 0.00 C ATOM 1276 CG TYR A 83 9.697 10.100 -2.730 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.321 9.687 -1.560 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.052 11.331 -2.729 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.304 10.473 -0.424 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.031 12.125 -1.599 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.658 11.692 -0.449 1.00 0.00 C ATOM 1282 OH TYR A 83 9.638 12.480 0.679 1.00 0.00 O ATOM 0 H TYR A 83 6.917 9.280 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 83 8.827 7.460 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.688 8.744 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.616 9.872 -4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.829 8.734 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.559 11.673 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 83 10.793 10.136 0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.526 13.080 -1.616 1.00 0.00 H new ATOM 0 HH TYR A 83 9.126 12.030 1.383 1.00 0.00 H new ATOM 1292 N LEU A 84 9.462 6.420 -2.547 1.00 0.00 N ATOM 1293 CA LEU A 84 9.544 5.619 -1.330 1.00 0.00 C ATOM 1294 C LEU A 84 10.909 5.774 -0.667 1.00 0.00 C ATOM 1295 O LEU A 84 11.022 5.731 0.558 1.00 0.00 O ATOM 1296 CB LEU A 84 9.282 4.146 -1.646 1.00 0.00 C ATOM 1297 CG LEU A 84 8.121 3.860 -2.600 1.00 0.00 C ATOM 1298 CD1 LEU A 84 7.968 2.364 -2.821 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.829 4.456 -2.060 1.00 0.00 C ATOM 0 H LEU A 84 10.119 6.145 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 84 8.782 5.976 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.190 3.720 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.093 3.622 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 84 8.341 4.327 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.137 2.180 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.886 1.964 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.771 1.874 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.013 4.243 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.605 4.017 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.942 5.535 -1.954 1.00 0.00 H new ATOM 1311 N GLU A 85 11.941 5.957 -1.484 1.00 0.00 N ATOM 1312 CA GLU A 85 13.298 6.119 -0.976 1.00 0.00 C ATOM 1313 C GLU A 85 13.700 7.591 -0.961 1.00 0.00 C ATOM 1314 O GLU A 85 14.484 8.023 -0.116 1.00 0.00 O ATOM 1315 CB GLU A 85 14.285 5.318 -1.827 1.00 0.00 C ATOM 1316 CG GLU A 85 14.175 5.601 -3.315 1.00 0.00 C ATOM 1317 CD GLU A 85 13.182 4.690 -4.011 1.00 0.00 C ATOM 1318 OE1 GLU A 85 11.969 4.982 -3.954 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.618 3.687 -4.613 1.00 0.00 O ATOM 0 H GLU A 85 11.863 5.997 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 85 13.323 5.742 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.300 5.541 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.120 4.254 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.875 6.639 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.155 5.484 -3.777 1.00 0.00 H new ATOM 1326 N GLY A 86 13.158 8.357 -1.903 1.00 0.00 N ATOM 1327 CA GLY A 86 13.473 9.771 -1.981 1.00 0.00 C ATOM 1328 C GLY A 86 13.922 10.189 -3.367 1.00 0.00 C ATOM 1329 O GLY A 86 13.103 10.345 -4.271 1.00 0.00 O ATOM 0 H GLY A 86 12.506 8.023 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.596 10.352 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.258 10.005 -1.262 1.00 0.00 H new ATOM 1333 N GLU A 87 15.229 10.372 -3.534 1.00 0.00 N ATOM 1334 CA GLU A 87 15.785 10.777 -4.820 1.00 0.00 C ATOM 1335 C GLU A 87 15.066 10.075 -5.968 1.00 0.00 C ATOM 1336 O GLU A 87 14.945 10.621 -7.065 1.00 0.00 O ATOM 1337 CB GLU A 87 17.282 10.466 -4.874 1.00 0.00 C ATOM 1338 CG GLU A 87 17.590 9.019 -5.221 1.00 0.00 C ATOM 1339 CD GLU A 87 17.730 8.795 -6.715 1.00 0.00 C ATOM 1340 OE1 GLU A 87 17.072 9.520 -7.488 1.00 0.00 O ATOM 1341 OE2 GLU A 87 18.500 7.894 -7.109 1.00 0.00 O ATOM 0 H GLU A 87 15.921 10.246 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 87 15.641 11.852 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.753 11.116 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.729 10.702 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.512 8.718 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.797 8.380 -4.834 1.00 0.00 H new ATOM 1348 N VAL A 88 14.591 8.861 -5.708 1.00 0.00 N ATOM 1349 CA VAL A 88 13.884 8.084 -6.719 1.00 0.00 C ATOM 1350 C VAL A 88 12.376 8.264 -6.595 1.00 0.00 C ATOM 1351 O VAL A 88 11.744 7.706 -5.697 1.00 0.00 O ATOM 1352 CB VAL A 88 14.222 6.585 -6.612 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.381 5.777 -7.589 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.706 6.355 -6.856 1.00 0.00 C ATOM 0 H VAL A 88 14.683 8.394 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 88 14.212 8.454 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 88 13.987 6.248 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.634 4.720 -7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.324 5.918 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.582 6.113 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.927 5.291 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.970 6.707 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.286 6.902 -6.113 1.00 0.00 H new ATOM 1364 N LEU A 89 11.802 9.047 -7.503 1.00 0.00 N ATOM 1365 CA LEU A 89 10.366 9.301 -7.496 1.00 0.00 C ATOM 1366 C LEU A 89 9.723 8.828 -8.796 1.00 0.00 C ATOM 1367 O LEU A 89 10.411 8.379 -9.713 1.00 0.00 O ATOM 1368 CB LEU A 89 10.093 10.792 -7.291 1.00 0.00 C ATOM 1369 CG LEU A 89 11.055 11.529 -6.359 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.214 12.119 -7.147 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.322 12.617 -5.588 1.00 0.00 C ATOM 0 H LEU A 89 12.310 9.516 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 89 9.927 8.741 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.115 11.282 -8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.082 10.905 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 89 11.457 10.813 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.888 12.640 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.755 11.319 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.831 12.822 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.022 13.131 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.891 13.332 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.527 12.168 -4.993 1.00 0.00 H new ATOM 1383 N PHE A 90 8.401 8.936 -8.870 1.00 0.00 N ATOM 1384 CA PHE A 90 7.665 8.520 -10.058 1.00 0.00 C ATOM 1385 C PHE A 90 6.456 9.422 -10.292 1.00 0.00 C ATOM 1386 O PHE A 90 5.514 9.434 -9.499 1.00 0.00 O ATOM 1387 CB PHE A 90 7.212 7.065 -9.921 1.00 0.00 C ATOM 1388 CG PHE A 90 8.349 6.091 -9.808 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.912 5.528 -10.942 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.856 5.739 -8.567 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.959 4.631 -10.841 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.904 4.844 -8.461 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.455 4.288 -9.599 1.00 0.00 C ATOM 0 H PHE A 90 7.817 9.308 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 90 8.332 8.605 -10.916 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.576 6.972 -9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.602 6.800 -10.784 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.528 5.793 -11.916 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.428 6.169 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.389 4.199 -11.733 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.292 4.579 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.272 3.586 -9.517 1.00 0.00 H new ATOM 1403 N VAL A 91 6.490 10.175 -11.386 1.00 0.00 N ATOM 1404 CA VAL A 91 5.398 11.080 -11.726 1.00 0.00 C ATOM 1405 C VAL A 91 4.052 10.498 -11.308 1.00 0.00 C ATOM 1406 O VAL A 91 3.190 11.209 -10.791 1.00 0.00 O ATOM 1407 CB VAL A 91 5.367 11.381 -13.236 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.670 10.259 -13.990 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.686 12.715 -13.499 1.00 0.00 C ATOM 0 H VAL A 91 7.262 10.177 -12.053 1.00 0.00 H new ATOM 0 HA VAL A 91 5.575 12.008 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 91 6.393 11.446 -13.597 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.658 10.489 -15.055 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.205 9.324 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.647 10.159 -13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.673 12.912 -14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.663 12.682 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.233 13.509 -12.991 1.00 0.00 H new ATOM 1419 N SER A 92 3.879 9.199 -11.534 1.00 0.00 N ATOM 1420 CA SER A 92 2.636 8.521 -11.184 1.00 0.00 C ATOM 1421 C SER A 92 2.911 7.102 -10.697 1.00 0.00 C ATOM 1422 O SER A 92 3.870 6.460 -11.125 1.00 0.00 O ATOM 1423 CB SER A 92 1.693 8.486 -12.388 1.00 0.00 C ATOM 1424 OG SER A 92 1.394 9.795 -12.839 1.00 0.00 O ATOM 0 H SER A 92 4.584 8.596 -11.958 1.00 0.00 H new ATOM 0 HA SER A 92 2.161 9.078 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.151 7.915 -13.196 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.771 7.972 -12.117 1.00 0.00 H new ATOM 0 HG SER A 92 0.791 9.746 -13.610 1.00 0.00 H new ATOM 1430 N VAL A 93 2.061 6.617 -9.797 1.00 0.00 N ATOM 1431 CA VAL A 93 2.210 5.273 -9.251 1.00 0.00 C ATOM 1432 C VAL A 93 2.456 4.254 -10.358 1.00 0.00 C ATOM 1433 O VAL A 93 3.367 3.432 -10.269 1.00 0.00 O ATOM 1434 CB VAL A 93 0.964 4.852 -8.449 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.131 3.442 -7.903 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.697 5.840 -7.323 1.00 0.00 C ATOM 0 H VAL A 93 1.262 7.135 -9.431 1.00 0.00 H new ATOM 0 HA VAL A 93 3.072 5.296 -8.584 1.00 0.00 H new ATOM 0 HB VAL A 93 0.104 4.857 -9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.241 3.162 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.271 2.746 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.001 3.406 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.187 5.527 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.556 5.869 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.530 6.832 -7.742 1.00 0.00 H new ATOM 1446 N GLY A 94 1.637 4.315 -11.404 1.00 0.00 N ATOM 1447 CA GLY A 94 1.782 3.392 -12.514 1.00 0.00 C ATOM 1448 C GLY A 94 3.232 3.163 -12.892 1.00 0.00 C ATOM 1449 O GLY A 94 3.712 2.030 -12.882 1.00 0.00 O ATOM 0 H GLY A 94 0.876 4.987 -11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.323 2.439 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.241 3.779 -13.378 1.00 0.00 H new ATOM 1453 N SER A 95 3.932 4.242 -13.227 1.00 0.00 N ATOM 1454 CA SER A 95 5.335 4.154 -13.616 1.00 0.00 C ATOM 1455 C SER A 95 6.154 3.453 -12.536 1.00 0.00 C ATOM 1456 O SER A 95 6.909 2.524 -12.820 1.00 0.00 O ATOM 1457 CB SER A 95 5.903 5.550 -13.877 1.00 0.00 C ATOM 1458 OG SER A 95 5.704 5.937 -15.226 1.00 0.00 O ATOM 0 H SER A 95 3.550 5.188 -13.237 1.00 0.00 H new ATOM 0 HA SER A 95 5.396 3.568 -14.533 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.424 6.271 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.968 5.562 -13.645 1.00 0.00 H new ATOM 0 HG SER A 95 6.074 6.833 -15.367 1.00 0.00 H new ATOM 1464 N MET A 96 5.998 3.906 -11.296 1.00 0.00 N ATOM 1465 CA MET A 96 6.722 3.323 -10.173 1.00 0.00 C ATOM 1466 C MET A 96 6.585 1.804 -10.168 1.00 0.00 C ATOM 1467 O MET A 96 7.577 1.081 -10.067 1.00 0.00 O ATOM 1468 CB MET A 96 6.206 3.897 -8.852 1.00 0.00 C ATOM 1469 CG MET A 96 6.983 3.419 -7.637 1.00 0.00 C ATOM 1470 SD MET A 96 6.513 4.285 -6.127 1.00 0.00 S ATOM 1471 CE MET A 96 4.832 3.704 -5.914 1.00 0.00 C ATOM 0 H MET A 96 5.377 4.675 -11.044 1.00 0.00 H new ATOM 0 HA MET A 96 7.777 3.575 -10.283 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.250 4.985 -8.896 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.157 3.625 -8.732 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.820 2.350 -7.504 1.00 0.00 H new ATOM 0 HG3 MET A 96 8.049 3.559 -7.814 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.476 3.976 -4.920 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.191 4.162 -6.667 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.805 2.620 -6.025 1.00 0.00 H new ATOM 1481 N VAL A 97 5.350 1.325 -10.278 1.00 0.00 N ATOM 1482 CA VAL A 97 5.083 -0.109 -10.287 1.00 0.00 C ATOM 1483 C VAL A 97 5.911 -0.815 -11.355 1.00 0.00 C ATOM 1484 O VAL A 97 6.588 -1.803 -11.076 1.00 0.00 O ATOM 1485 CB VAL A 97 3.591 -0.401 -10.533 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.324 -1.897 -10.481 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.730 0.338 -9.520 1.00 0.00 C ATOM 0 H VAL A 97 4.518 1.909 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 97 5.362 -0.489 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 97 3.328 -0.044 -11.529 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.265 -2.084 -10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.913 -2.399 -11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.602 -2.282 -9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.679 0.120 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.993 0.013 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.900 1.411 -9.611 1.00 0.00 H new ATOM 1497 N GLU A 98 5.851 -0.299 -12.579 1.00 0.00 N ATOM 1498 CA GLU A 98 6.596 -0.882 -13.689 1.00 0.00 C ATOM 1499 C GLU A 98 8.092 -0.902 -13.390 1.00 0.00 C ATOM 1500 O GLU A 98 8.807 -1.816 -13.803 1.00 0.00 O ATOM 1501 CB GLU A 98 6.333 -0.096 -14.976 1.00 0.00 C ATOM 1502 CG GLU A 98 4.931 0.486 -15.058 1.00 0.00 C ATOM 1503 CD GLU A 98 4.428 0.595 -16.485 1.00 0.00 C ATOM 1504 OE1 GLU A 98 5.238 0.925 -17.376 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.224 0.350 -16.710 1.00 0.00 O ATOM 0 H GLU A 98 5.295 0.520 -12.827 1.00 0.00 H new ATOM 0 HA GLU A 98 6.256 -1.909 -13.822 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.059 0.714 -15.052 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.496 -0.751 -15.832 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.248 -0.139 -14.482 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.924 1.474 -14.598 1.00 0.00 H new ATOM 1512 N HIS A 99 8.559 0.113 -12.670 1.00 0.00 N ATOM 1513 CA HIS A 99 9.970 0.212 -12.314 1.00 0.00 C ATOM 1514 C HIS A 99 10.368 -0.901 -11.350 1.00 0.00 C ATOM 1515 O HIS A 99 11.410 -1.535 -11.514 1.00 0.00 O ATOM 1516 CB HIS A 99 10.265 1.575 -11.688 1.00 0.00 C ATOM 1517 CG HIS A 99 11.480 1.581 -10.811 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.645 1.189 -9.525 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.712 2.031 -11.234 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.961 1.407 -9.200 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.584 1.914 -10.249 1.00 0.00 N flip ATOM 0 H HIS A 99 7.981 0.878 -12.322 1.00 0.00 H new ATOM 0 HA HIS A 99 10.557 0.104 -13.226 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.397 2.310 -12.482 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.402 1.891 -11.102 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.926 0.804 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.930 2.419 -12.218 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.414 1.198 -8.242 1.00 0.00 H new ATOM 1530 N TYR A 100 9.530 -1.134 -10.345 1.00 0.00 N ATOM 1531 CA TYR A 100 9.796 -2.168 -9.353 1.00 0.00 C ATOM 1532 C TYR A 100 9.719 -3.557 -9.980 1.00 0.00 C ATOM 1533 O TYR A 100 10.496 -4.449 -9.637 1.00 0.00 O ATOM 1534 CB TYR A 100 8.800 -2.063 -8.197 1.00 0.00 C ATOM 1535 CG TYR A 100 9.013 -0.848 -7.322 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.292 -0.452 -6.949 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.937 -0.096 -6.869 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.492 0.657 -6.150 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.127 1.016 -6.071 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.407 1.388 -5.714 1.00 0.00 C ATOM 1541 OH TYR A 100 9.601 2.493 -4.918 1.00 0.00 O ATOM 0 H TYR A 100 8.661 -0.620 -10.197 1.00 0.00 H new ATOM 0 HA TYR A 100 10.805 -2.017 -8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.788 -2.036 -8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.874 -2.960 -7.582 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.144 -1.021 -7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.934 -0.385 -7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.493 0.950 -5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.279 1.590 -5.729 1.00 0.00 H new ATOM 0 HH TYR A 100 10.400 2.362 -4.366 1.00 0.00 H new ATOM 1551 N HIS A 101 8.777 -3.732 -10.901 1.00 0.00 N ATOM 1552 CA HIS A 101 8.598 -5.012 -11.578 1.00 0.00 C ATOM 1553 C HIS A 101 9.943 -5.686 -11.830 1.00 0.00 C ATOM 1554 O HIS A 101 10.045 -6.913 -11.830 1.00 0.00 O ATOM 1555 CB HIS A 101 7.858 -4.813 -12.901 1.00 0.00 C ATOM 1556 CG HIS A 101 6.369 -4.917 -12.776 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.542 -5.196 -13.843 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.559 -4.778 -11.700 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.287 -5.223 -13.429 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.271 -4.972 -12.133 1.00 0.00 N ATOM 0 H HIS A 101 8.126 -3.004 -11.196 1.00 0.00 H new ATOM 0 HA HIS A 101 8.004 -5.658 -10.931 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.113 -3.834 -13.307 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.207 -5.556 -13.618 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.869 -4.556 -10.689 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.422 -5.417 -14.046 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.436 -4.929 -11.548 1.00 0.00 H new ATOM 1569 N THR A 102 10.975 -4.875 -12.044 1.00 0.00 N ATOM 1570 CA THR A 102 12.313 -5.392 -12.299 1.00 0.00 C ATOM 1571 C THR A 102 13.265 -5.042 -11.161 1.00 0.00 C ATOM 1572 O THR A 102 14.283 -5.705 -10.963 1.00 0.00 O ATOM 1573 CB THR A 102 12.886 -4.843 -13.619 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.067 -3.426 -13.523 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.962 -5.163 -14.785 1.00 0.00 C ATOM 0 H THR A 102 10.909 -3.857 -12.046 1.00 0.00 H new ATOM 0 HA THR A 102 12.223 -6.476 -12.373 1.00 0.00 H new ATOM 0 HB THR A 102 13.849 -5.321 -13.797 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.433 -3.085 -14.366 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.388 -4.765 -15.706 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.849 -6.244 -14.874 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.986 -4.710 -14.611 1.00 0.00 H new ATOM 1583 N HIS A 103 12.927 -3.995 -10.415 1.00 0.00 N ATOM 1584 CA HIS A 103 13.751 -3.557 -9.294 1.00 0.00 C ATOM 1585 C HIS A 103 13.065 -3.857 -7.965 1.00 0.00 C ATOM 1586 O HIS A 103 12.314 -3.034 -7.442 1.00 0.00 O ATOM 1587 CB HIS A 103 14.044 -2.060 -9.403 1.00 0.00 C ATOM 1588 CG HIS A 103 15.241 -1.744 -10.246 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.025 -0.627 -10.050 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.787 -2.407 -11.292 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.001 -0.615 -10.941 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.879 -1.685 -11.706 1.00 0.00 N ATOM 0 H HIS A 103 12.088 -3.434 -10.566 1.00 0.00 H new ATOM 0 HA HIS A 103 14.691 -4.107 -9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.172 -1.557 -9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.197 -1.654 -8.403 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.430 -3.332 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.768 0.141 -11.029 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.496 -1.934 -12.479 1.00 0.00 H new ATOM 1601 N VAL A 104 13.329 -5.042 -7.423 1.00 0.00 N ATOM 1602 CA VAL A 104 12.738 -5.452 -6.154 1.00 0.00 C ATOM 1603 C VAL A 104 12.619 -4.271 -5.197 1.00 0.00 C ATOM 1604 O VAL A 104 13.457 -3.368 -5.201 1.00 0.00 O ATOM 1605 CB VAL A 104 13.566 -6.562 -5.482 1.00 0.00 C ATOM 1606 CG1 VAL A 104 15.054 -6.285 -5.632 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.185 -6.696 -4.015 1.00 0.00 C ATOM 0 H VAL A 104 13.948 -5.735 -7.843 1.00 0.00 H new ATOM 0 HA VAL A 104 11.743 -5.837 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 104 13.346 -7.507 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.623 -7.081 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.312 -6.244 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.296 -5.331 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.780 -7.485 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.375 -5.753 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 104 12.127 -6.946 -3.935 1.00 0.00 H new ATOM 1617 N LEU A 105 11.573 -4.284 -4.378 1.00 0.00 N ATOM 1618 CA LEU A 105 11.344 -3.214 -3.413 1.00 0.00 C ATOM 1619 C LEU A 105 12.388 -3.250 -2.302 1.00 0.00 C ATOM 1620 O LEU A 105 12.989 -4.286 -2.014 1.00 0.00 O ATOM 1621 CB LEU A 105 9.941 -3.332 -2.815 1.00 0.00 C ATOM 1622 CG LEU A 105 8.821 -3.683 -3.794 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.626 -4.262 -3.054 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.410 -2.457 -4.597 1.00 0.00 C ATOM 0 H LEU A 105 10.870 -5.023 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 105 11.430 -2.262 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.964 -4.091 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.692 -2.386 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 105 9.194 -4.438 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.839 -4.506 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.929 -5.166 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.252 -3.530 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.612 -2.726 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.056 -1.680 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.267 -2.086 -5.159 1.00 0.00 H new ATOM 1636 N PRO A 106 12.609 -2.094 -1.659 1.00 0.00 N ATOM 1637 CA PRO A 106 13.579 -1.967 -0.567 1.00 0.00 C ATOM 1638 C PRO A 106 13.128 -2.695 0.695 1.00 0.00 C ATOM 1639 O PRO A 106 11.951 -3.021 0.848 1.00 0.00 O ATOM 1640 CB PRO A 106 13.641 -0.458 -0.321 1.00 0.00 C ATOM 1641 CG PRO A 106 12.327 0.058 -0.795 1.00 0.00 C ATOM 1642 CD PRO A 106 11.930 -0.820 -1.950 1.00 0.00 C ATOM 0 HA PRO A 106 14.541 -2.410 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.796 -0.235 0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.466 -0.001 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.582 0.018 -0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.406 1.100 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.849 -0.945 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.253 -0.401 -2.903 1.00 0.00 H new ATOM 1650 N SER A 107 14.072 -2.946 1.597 1.00 0.00 N ATOM 1651 CA SER A 107 13.772 -3.638 2.845 1.00 0.00 C ATOM 1652 C SER A 107 13.439 -5.104 2.586 1.00 0.00 C ATOM 1653 O SER A 107 12.738 -5.742 3.373 1.00 0.00 O ATOM 1654 CB SER A 107 12.605 -2.957 3.562 1.00 0.00 C ATOM 1655 OG SER A 107 12.812 -1.559 3.659 1.00 0.00 O ATOM 0 H SER A 107 15.051 -2.680 1.487 1.00 0.00 H new ATOM 0 HA SER A 107 14.657 -3.591 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.678 -3.154 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.490 -3.381 4.560 1.00 0.00 H new ATOM 0 HG SER A 107 12.051 -1.147 4.120 1.00 0.00 H new ATOM 1661 N HIS A 108 13.947 -5.633 1.477 1.00 0.00 N ATOM 1662 CA HIS A 108 13.704 -7.025 1.113 1.00 0.00 C ATOM 1663 C HIS A 108 14.814 -7.551 0.208 1.00 0.00 C ATOM 1664 O HIS A 108 15.792 -6.853 -0.059 1.00 0.00 O ATOM 1665 CB HIS A 108 12.351 -7.163 0.415 1.00 0.00 C ATOM 1666 CG HIS A 108 11.632 -8.434 0.749 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.741 -9.581 -0.008 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.792 -8.734 1.767 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.997 -10.532 0.529 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.411 -10.044 1.608 1.00 0.00 N ATOM 0 H HIS A 108 14.529 -5.119 0.815 1.00 0.00 H new ATOM 0 HA HIS A 108 13.694 -7.618 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.722 -6.316 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.501 -7.113 -0.663 1.00 0.00 H new ATOM 0 HD1 HIS A 108 12.307 -9.680 -0.851 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.479 -8.067 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.887 -11.537 0.150 1.00 0.00 H new ATOM 1679 N GLN A 109 14.654 -8.784 -0.260 1.00 0.00 N ATOM 1680 CA GLN A 109 15.643 -9.403 -1.134 1.00 0.00 C ATOM 1681 C GLN A 109 15.076 -9.615 -2.534 1.00 0.00 C ATOM 1682 O GLN A 109 15.629 -9.127 -3.519 1.00 0.00 O ATOM 1683 CB GLN A 109 16.106 -10.740 -0.551 1.00 0.00 C ATOM 1684 CG GLN A 109 14.969 -11.712 -0.281 1.00 0.00 C ATOM 1685 CD GLN A 109 15.327 -12.754 0.759 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.196 -12.520 1.961 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.782 -13.915 0.303 1.00 0.00 N ATOM 0 H GLN A 109 13.849 -9.374 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 109 16.498 -8.731 -1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.812 -11.202 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.643 -10.555 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.093 -11.156 0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.694 -12.211 -1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.875 -14.067 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.038 -14.655 0.957 1.00 0.00 H new ATOM 1696 N SER A 110 13.970 -10.347 -2.614 1.00 0.00 N ATOM 1697 CA SER A 110 13.330 -10.628 -3.894 1.00 0.00 C ATOM 1698 C SER A 110 11.819 -10.431 -3.801 1.00 0.00 C ATOM 1699 O SER A 110 11.044 -11.348 -4.075 1.00 0.00 O ATOM 1700 CB SER A 110 13.642 -12.057 -4.343 1.00 0.00 C ATOM 1701 OG SER A 110 13.001 -13.005 -3.508 1.00 0.00 O ATOM 0 H SER A 110 13.498 -10.756 -1.808 1.00 0.00 H new ATOM 0 HA SER A 110 13.726 -9.929 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.317 -12.197 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.719 -12.221 -4.324 1.00 0.00 H new ATOM 0 HG SER A 110 12.031 -12.866 -3.540 1.00 0.00 H new ATOM 1707 N LEU A 111 11.409 -9.229 -3.413 1.00 0.00 N ATOM 1708 CA LEU A 111 9.991 -8.909 -3.283 1.00 0.00 C ATOM 1709 C LEU A 111 9.554 -7.925 -4.363 1.00 0.00 C ATOM 1710 O LEU A 111 9.678 -6.711 -4.198 1.00 0.00 O ATOM 1711 CB LEU A 111 9.705 -8.326 -1.898 1.00 0.00 C ATOM 1712 CG LEU A 111 8.302 -7.755 -1.688 1.00 0.00 C ATOM 1713 CD1 LEU A 111 7.245 -8.786 -2.053 1.00 0.00 C ATOM 1714 CD2 LEU A 111 8.124 -7.293 -0.249 1.00 0.00 C ATOM 0 H LEU A 111 12.038 -8.459 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 111 9.422 -9.831 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.873 -9.106 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.430 -7.537 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 111 8.180 -6.893 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.253 -8.361 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.358 -9.068 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.365 -9.668 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.120 -6.890 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.266 -8.138 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.858 -6.520 -0.022 1.00 0.00 H new ATOM 1726 N LEU A 112 9.040 -8.456 -5.466 1.00 0.00 N ATOM 1727 CA LEU A 112 8.581 -7.624 -6.574 1.00 0.00 C ATOM 1728 C LEU A 112 7.058 -7.610 -6.649 1.00 0.00 C ATOM 1729 O LEU A 112 6.384 -8.390 -5.974 1.00 0.00 O ATOM 1730 CB LEU A 112 9.163 -8.131 -7.894 1.00 0.00 C ATOM 1731 CG LEU A 112 10.677 -8.348 -7.921 1.00 0.00 C ATOM 1732 CD1 LEU A 112 11.031 -9.529 -8.812 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.387 -7.089 -8.394 1.00 0.00 C ATOM 0 H LEU A 112 8.930 -9.459 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 112 8.928 -6.605 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.676 -9.074 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.904 -7.420 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 112 11.011 -8.571 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.112 -9.668 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.552 -10.430 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.683 -9.336 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.463 -7.261 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.048 -6.836 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.159 -6.266 -7.716 1.00 0.00 H new ATOM 1745 N LEU A 113 6.520 -6.719 -7.474 1.00 0.00 N ATOM 1746 CA LEU A 113 5.075 -6.604 -7.640 1.00 0.00 C ATOM 1747 C LEU A 113 4.589 -7.472 -8.796 1.00 0.00 C ATOM 1748 O LEU A 113 4.866 -7.184 -9.961 1.00 0.00 O ATOM 1749 CB LEU A 113 4.684 -5.145 -7.883 1.00 0.00 C ATOM 1750 CG LEU A 113 5.224 -4.129 -6.877 1.00 0.00 C ATOM 1751 CD1 LEU A 113 5.099 -2.716 -7.425 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.494 -4.254 -5.548 1.00 0.00 C ATOM 0 H LEU A 113 7.062 -6.065 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 113 4.600 -6.953 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.026 -4.859 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.596 -5.077 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 113 6.280 -4.339 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.489 -2.007 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.668 -2.633 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.050 -2.494 -7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.892 -3.523 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.430 -4.071 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.636 -5.258 -5.148 1.00 0.00 H new ATOM 1764 N ARG A 114 3.861 -8.534 -8.467 1.00 0.00 N ATOM 1765 CA ARG A 114 3.335 -9.443 -9.478 1.00 0.00 C ATOM 1766 C ARG A 114 1.887 -9.101 -9.817 1.00 0.00 C ATOM 1767 O ARG A 114 1.569 -8.761 -10.956 1.00 0.00 O ATOM 1768 CB ARG A 114 3.428 -10.891 -8.990 1.00 0.00 C ATOM 1769 CG ARG A 114 4.849 -11.427 -8.942 1.00 0.00 C ATOM 1770 CD ARG A 114 4.992 -12.534 -7.909 1.00 0.00 C ATOM 1771 NE ARG A 114 3.942 -13.541 -8.038 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.080 -14.801 -7.642 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.218 -15.207 -7.095 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.079 -15.659 -7.792 1.00 0.00 N ATOM 0 H ARG A 114 3.622 -8.786 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 114 3.937 -9.331 -10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.989 -10.959 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.831 -11.525 -9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.129 -11.806 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.537 -10.616 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.966 -13.010 -8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.960 -12.103 -6.908 1.00 0.00 H new ATOM 0 HE ARG A 114 3.054 -13.261 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.990 -14.551 -6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.321 -16.175 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.202 -15.351 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.187 -16.626 -7.487 1.00 0.00 H new ATOM 1788 N HIS A 115 1.013 -9.194 -8.819 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.401 -8.895 -9.011 1.00 0.00 C ATOM 1790 C HIS A 115 -0.917 -7.976 -7.907 1.00 0.00 C ATOM 1791 O HIS A 115 -0.616 -8.155 -6.727 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.219 -10.186 -9.039 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.480 -11.350 -9.626 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.474 -11.635 -10.975 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.282 -12.302 -9.038 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.258 -12.713 -11.191 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.728 -13.137 -10.032 1.00 0.00 N ATOM 0 H HIS A 115 1.260 -9.474 -7.870 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.511 -8.384 -9.967 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.525 -10.435 -8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.130 -10.017 -9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.499 -12.388 -7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.441 -13.170 -12.152 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.325 -13.953 -9.897 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.712 -6.969 -8.297 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.285 -6.003 -7.356 1.00 0.00 C ATOM 1808 C PRO A 116 -3.351 -6.627 -6.462 1.00 0.00 C ATOM 1809 O PRO A 116 -3.679 -7.806 -6.601 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.907 -4.944 -8.270 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.195 -5.663 -9.542 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.112 -6.696 -9.688 1.00 0.00 C ATOM 0 HA PRO A 116 -1.535 -5.608 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.817 -4.530 -7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.224 -4.111 -8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.179 -6.131 -9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.195 -4.975 -10.388 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.478 -7.595 -10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.277 -6.322 -10.280 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.889 -5.830 -5.546 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.917 -6.306 -4.627 1.00 0.00 C ATOM 1822 C TYR A 117 -6.311 -6.050 -5.191 1.00 0.00 C ATOM 1823 O TYR A 117 -6.525 -5.101 -5.944 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.771 -5.622 -3.267 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.014 -5.708 -2.410 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.463 -6.930 -1.925 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.737 -4.568 -2.084 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.598 -7.014 -1.142 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.872 -4.642 -1.300 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.299 -5.867 -0.832 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.430 -5.946 -0.051 1.00 0.00 O ATOM 0 H TYR A 117 -3.631 -4.851 -5.420 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.787 -7.381 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.937 -6.074 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.519 -4.573 -3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.915 -7.830 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.406 -3.607 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.935 -7.972 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.422 -3.745 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.111 -5.334 -0.399 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.259 -6.906 -4.819 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.621 -6.757 -5.296 1.00 0.00 C ATOM 1843 C GLY A 118 -8.801 -7.271 -6.710 1.00 0.00 C ATOM 1844 O GLY A 118 -9.738 -8.017 -6.993 1.00 0.00 O ATOM 0 H GLY A 118 -7.107 -7.699 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.297 -7.293 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.903 -5.705 -5.257 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.901 -6.871 -7.602 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.966 -7.293 -8.996 1.00 0.00 C ATOM 1850 C TYR A 119 -7.913 -8.813 -9.108 1.00 0.00 C ATOM 1851 O TYR A 119 -7.338 -9.492 -8.255 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.819 -6.671 -9.793 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.985 -6.796 -11.291 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.713 -5.856 -12.010 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.412 -7.853 -11.987 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.868 -5.967 -13.378 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.560 -7.971 -13.356 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.289 -7.026 -14.047 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.440 -7.139 -15.410 1.00 0.00 O ATOM 0 H TYR A 119 -7.118 -6.255 -7.384 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.914 -6.950 -9.409 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.736 -5.616 -9.532 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.883 -7.146 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.165 -5.024 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.841 -8.595 -11.449 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.439 -5.229 -13.921 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.107 -8.799 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.970 -7.939 -15.726 1.00 0.00 H new