USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=7 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 547 HIS : no HD1:sc= -7.25! C(o=-11!,f=-3.7!) USER MOD Set 1.2: A 587 GLN : amide:sc= -3.35 K(o=-11,f=-3.7) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot 17:sc= -0.676 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.2!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot -25:sc= 0.0283 USER MOD Single : A 557 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.212) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 572 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.31) USER MOD Single : A 575 HIS : no HD1:sc= -0.875 K(o=-0.88,f=-0.26) USER MOD Single : A 591 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -63:sc= -0.39 USER MOD Single : A 605 HIS : no HD1:sc= -4.25! C(o=-4.2!,f=-6.4!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.55) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc=0.000957 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.470 14.980 -1.211 1.00 0.00 N ATOM 142 CA ALA A 542 5.025 14.029 -2.164 1.00 0.00 C ATOM 143 C ALA A 542 4.411 12.646 -1.980 1.00 0.00 C ATOM 144 O ALA A 542 4.047 12.259 -0.869 1.00 0.00 O ATOM 145 CB ALA A 542 6.538 13.959 -2.021 1.00 0.00 C ATOM 0 HA ALA A 542 4.782 14.376 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.939 13.244 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.967 14.943 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.794 13.640 -1.011 1.00 0.00 H new ATOM 151 N LYS A 543 4.298 11.903 -3.075 1.00 0.00 N ATOM 152 CA LYS A 543 3.727 10.561 -3.035 1.00 0.00 C ATOM 153 C LYS A 543 4.795 9.526 -2.695 1.00 0.00 C ATOM 154 O LYS A 543 5.482 9.014 -3.577 1.00 0.00 O ATOM 155 CB LYS A 543 3.082 10.219 -4.381 1.00 0.00 C ATOM 156 CG LYS A 543 1.694 10.810 -4.557 1.00 0.00 C ATOM 157 CD LYS A 543 1.382 11.074 -6.021 1.00 0.00 C ATOM 158 CE LYS A 543 0.179 11.990 -6.178 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.508 11.784 -7.483 1.00 0.00 N ATOM 0 H LYS A 543 4.594 12.207 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 543 2.964 10.540 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.725 10.578 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 543 3.022 9.135 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.952 10.127 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.620 11.741 -3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 543 2.249 11.525 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.190 10.129 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.524 11.809 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 543 0.500 13.028 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.323 12.427 -7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.155 11.981 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.837 10.800 -7.551 1.00 0.00 H new ATOM 173 N VAL A 544 4.927 9.222 -1.407 1.00 0.00 N ATOM 174 CA VAL A 544 5.909 8.246 -0.949 1.00 0.00 C ATOM 175 C VAL A 544 5.244 7.132 -0.148 1.00 0.00 C ATOM 176 O VAL A 544 5.829 6.597 0.795 1.00 0.00 O ATOM 177 CB VAL A 544 6.997 8.908 -0.083 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.816 9.886 -0.910 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.371 9.605 1.116 1.00 0.00 C ATOM 0 H VAL A 544 4.366 9.637 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 544 6.373 7.822 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 544 7.667 8.131 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.580 10.344 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.294 9.355 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.162 10.661 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.154 10.068 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.678 10.372 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.832 8.875 1.721 1.00 0.00 H new ATOM 189 N CYS A 545 4.019 6.786 -0.529 1.00 0.00 N ATOM 190 CA CYS A 545 3.273 5.736 0.154 1.00 0.00 C ATOM 191 C CYS A 545 2.343 5.011 -0.813 1.00 0.00 C ATOM 192 O CYS A 545 1.709 5.635 -1.664 1.00 0.00 O ATOM 193 CB CYS A 545 2.467 6.324 1.313 1.00 0.00 C ATOM 194 SG CYS A 545 3.462 6.766 2.755 1.00 0.00 S ATOM 0 H CYS A 545 3.522 7.218 -1.308 1.00 0.00 H new ATOM 0 HA CYS A 545 3.989 5.015 0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.941 7.212 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.708 5.603 1.616 1.00 0.00 H new ATOM 0 HG CYS A 545 4.715 6.832 2.414 1.00 0.00 H new ATOM 200 N ALA A 546 2.268 3.692 -0.679 1.00 0.00 N ATOM 201 CA ALA A 546 1.415 2.883 -1.541 1.00 0.00 C ATOM 202 C ALA A 546 0.485 1.999 -0.718 1.00 0.00 C ATOM 203 O ALA A 546 0.906 1.369 0.253 1.00 0.00 O ATOM 204 CB ALA A 546 2.264 2.033 -2.476 1.00 0.00 C ATOM 0 H ALA A 546 2.788 3.160 0.019 1.00 0.00 H new ATOM 0 HA ALA A 546 0.800 3.556 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.614 1.434 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.883 2.682 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.903 1.374 -1.889 1.00 0.00 H new ATOM 210 N HIS A 547 -0.785 1.955 -1.112 1.00 0.00 N ATOM 211 CA HIS A 547 -1.776 1.147 -0.411 1.00 0.00 C ATOM 212 C HIS A 547 -2.194 -0.053 -1.254 1.00 0.00 C ATOM 213 O HIS A 547 -2.622 0.099 -2.398 1.00 0.00 O ATOM 214 CB HIS A 547 -3.001 1.994 -0.064 1.00 0.00 C ATOM 215 CG HIS A 547 -3.919 1.341 0.923 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.290 1.487 0.886 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.657 0.535 1.978 1.00 0.00 C ATOM 218 CE1 HIS A 547 -5.830 0.800 1.876 1.00 0.00 C ATOM 219 NE2 HIS A 547 -4.861 0.213 2.554 1.00 0.00 N ATOM 0 H HIS A 547 -1.151 2.470 -1.913 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.324 0.780 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.669 2.951 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.556 2.208 -0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.682 0.206 2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -6.885 0.730 2.094 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -4.986 -0.383 3.372 1.00 0.00 H new ATOM 227 N ILE A 548 -2.066 -1.245 -0.682 1.00 0.00 N ATOM 228 CA ILE A 548 -2.431 -2.471 -1.381 1.00 0.00 C ATOM 229 C ILE A 548 -3.753 -3.027 -0.862 1.00 0.00 C ATOM 230 O ILE A 548 -3.942 -3.185 0.344 1.00 0.00 O ATOM 231 CB ILE A 548 -1.341 -3.548 -1.235 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.002 -3.026 -1.762 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.747 -4.817 -1.971 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.190 -3.823 -1.279 1.00 0.00 C ATOM 0 H ILE A 548 -1.712 -1.388 0.264 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.537 -2.214 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.226 -3.785 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 548 -0.020 -3.039 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.119 -1.986 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.966 -5.569 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.679 -5.197 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.887 -4.595 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.104 -3.397 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.233 -3.789 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.092 -4.858 -1.606 1.00 0.00 H new ATOM 246 N THR A 549 -4.665 -3.326 -1.783 1.00 0.00 N ATOM 247 CA THR A 549 -5.968 -3.865 -1.419 1.00 0.00 C ATOM 248 C THR A 549 -6.338 -5.052 -2.302 1.00 0.00 C ATOM 249 O THR A 549 -5.588 -5.423 -3.204 1.00 0.00 O ATOM 250 CB THR A 549 -7.070 -2.795 -1.530 1.00 0.00 C ATOM 251 OG1 THR A 549 -6.846 -1.979 -2.685 1.00 0.00 O ATOM 252 CG2 THR A 549 -7.104 -1.922 -0.285 1.00 0.00 C ATOM 0 H THR A 549 -4.524 -3.204 -2.786 1.00 0.00 H new ATOM 0 HA THR A 549 -5.895 -4.195 -0.383 1.00 0.00 H new ATOM 0 HB THR A 549 -8.030 -3.302 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.552 -1.302 -2.749 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.890 -1.174 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.304 -2.542 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.142 -1.424 -0.164 1.00 0.00 H new ATOM 260 N ASN A 550 -7.498 -5.643 -2.037 1.00 0.00 N ATOM 261 CA ASN A 550 -7.967 -6.788 -2.808 1.00 0.00 C ATOM 262 C ASN A 550 -6.947 -7.921 -2.773 1.00 0.00 C ATOM 263 O ASN A 550 -6.695 -8.573 -3.787 1.00 0.00 O ATOM 264 CB ASN A 550 -8.242 -6.376 -4.256 1.00 0.00 C ATOM 265 CG ASN A 550 -9.031 -7.424 -5.015 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.955 -8.615 -4.714 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.797 -6.984 -6.007 1.00 0.00 N ATOM 0 H ASN A 550 -8.131 -5.348 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.893 -7.144 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.791 -5.435 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.295 -6.198 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.352 -7.643 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.830 -5.988 -6.222 1.00 0.00 H new ATOM 274 N ILE A 551 -6.365 -8.151 -1.601 1.00 0.00 N ATOM 275 CA ILE A 551 -5.374 -9.206 -1.434 1.00 0.00 C ATOM 276 C ILE A 551 -5.799 -10.195 -0.353 1.00 0.00 C ATOM 277 O ILE A 551 -6.448 -9.836 0.629 1.00 0.00 O ATOM 278 CB ILE A 551 -3.992 -8.630 -1.073 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.091 -7.759 0.180 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.432 -7.828 -2.238 1.00 0.00 C ATOM 281 CD1 ILE A 551 -2.755 -7.492 0.838 1.00 0.00 C ATOM 0 H ILE A 551 -6.563 -7.620 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.303 -9.725 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.313 -9.457 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.553 -6.808 -0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.750 -8.245 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.455 -7.427 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.330 -8.475 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.109 -7.006 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -2.902 -6.868 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.300 -8.437 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.100 -6.978 0.135 1.00 0.00 H new ATOM 293 N PRO A 552 -5.422 -11.469 -0.535 1.00 0.00 N ATOM 294 CA PRO A 552 -5.751 -12.534 0.417 1.00 0.00 C ATOM 295 C PRO A 552 -5.493 -12.122 1.861 1.00 0.00 C ATOM 296 O PRO A 552 -4.374 -11.757 2.222 1.00 0.00 O ATOM 297 CB PRO A 552 -4.814 -13.674 0.009 1.00 0.00 C ATOM 298 CG PRO A 552 -4.563 -13.459 -1.443 1.00 0.00 C ATOM 299 CD PRO A 552 -4.647 -11.967 -1.682 1.00 0.00 C ATOM 0 HA PRO A 552 -6.808 -12.799 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -3.886 -13.646 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.271 -14.646 0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.583 -13.842 -1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.300 -13.990 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.657 -11.512 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.141 -11.741 -2.627 1.00 0.00 H new ATOM 307 N PHE A 553 -6.534 -12.183 2.685 1.00 0.00 N ATOM 308 CA PHE A 553 -6.420 -11.814 4.091 1.00 0.00 C ATOM 309 C PHE A 553 -5.953 -13.003 4.928 1.00 0.00 C ATOM 310 O PHE A 553 -6.240 -13.084 6.122 1.00 0.00 O ATOM 311 CB PHE A 553 -7.761 -11.301 4.617 1.00 0.00 C ATOM 312 CG PHE A 553 -8.942 -12.076 4.106 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.904 -13.459 4.041 1.00 0.00 C ATOM 314 CD2 PHE A 553 -10.090 -11.420 3.690 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.988 -14.175 3.571 1.00 0.00 C ATOM 316 CE2 PHE A 553 -11.178 -12.132 3.219 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.126 -13.510 3.158 1.00 0.00 C ATOM 0 H PHE A 553 -7.467 -12.485 2.403 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.679 -11.019 4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.754 -11.341 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.875 -10.254 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.016 -13.984 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -10.135 -10.342 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -9.946 -15.253 3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -12.068 -11.610 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.974 -14.067 2.788 1.00 0.00 H new ATOM 327 N SER A 554 -5.235 -13.922 4.291 1.00 0.00 N ATOM 328 CA SER A 554 -4.733 -15.108 4.974 1.00 0.00 C ATOM 329 C SER A 554 -3.210 -15.082 5.059 1.00 0.00 C ATOM 330 O SER A 554 -2.605 -15.868 5.789 1.00 0.00 O ATOM 331 CB SER A 554 -5.193 -16.374 4.249 1.00 0.00 C ATOM 332 OG SER A 554 -4.662 -16.429 2.936 1.00 0.00 O ATOM 0 H SER A 554 -4.988 -13.868 3.303 1.00 0.00 H new ATOM 0 HA SER A 554 -5.136 -15.111 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.877 -17.254 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 554 -6.282 -16.397 4.206 1.00 0.00 H new ATOM 0 HG SER A 554 -4.969 -17.248 2.493 1.00 0.00 H new ATOM 338 N ILE A 555 -2.597 -14.173 4.308 1.00 0.00 N ATOM 339 CA ILE A 555 -1.145 -14.043 4.300 1.00 0.00 C ATOM 340 C ILE A 555 -0.668 -13.129 5.423 1.00 0.00 C ATOM 341 O ILE A 555 -1.472 -12.496 6.109 1.00 0.00 O ATOM 342 CB ILE A 555 -0.638 -13.491 2.954 1.00 0.00 C ATOM 343 CG1 ILE A 555 -0.904 -11.989 2.861 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.300 -14.225 1.798 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.291 -11.340 1.639 1.00 0.00 C ATOM 0 H ILE A 555 -3.083 -13.516 3.698 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.738 -15.043 4.451 1.00 0.00 H new ATOM 0 HB ILE A 555 0.438 -13.654 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -1.981 -11.819 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.513 -11.503 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.932 -13.824 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -1.063 -15.287 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.380 -14.091 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.521 -10.274 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.790 -11.478 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.700 -11.799 0.739 1.00 0.00 H new ATOM 357 N THR A 556 0.647 -13.062 5.606 1.00 0.00 N ATOM 358 CA THR A 556 1.233 -12.225 6.645 1.00 0.00 C ATOM 359 C THR A 556 2.272 -11.272 6.064 1.00 0.00 C ATOM 360 O THR A 556 2.753 -11.469 4.949 1.00 0.00 O ATOM 361 CB THR A 556 1.892 -13.075 7.747 1.00 0.00 C ATOM 362 OG1 THR A 556 2.954 -13.860 7.190 1.00 0.00 O ATOM 363 CG2 THR A 556 0.873 -13.991 8.408 1.00 0.00 C ATOM 0 H THR A 556 1.327 -13.578 5.047 1.00 0.00 H new ATOM 0 HA THR A 556 0.418 -11.647 7.081 1.00 0.00 H new ATOM 0 HB THR A 556 2.295 -12.400 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.792 -13.998 6.233 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.363 -14.581 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.081 -13.391 8.855 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.445 -14.658 7.660 1.00 0.00 H new ATOM 371 N LYS A 557 2.612 -10.239 6.827 1.00 0.00 N ATOM 372 CA LYS A 557 3.597 -9.256 6.389 1.00 0.00 C ATOM 373 C LYS A 557 4.691 -9.916 5.557 1.00 0.00 C ATOM 374 O LYS A 557 4.871 -9.590 4.383 1.00 0.00 O ATOM 375 CB LYS A 557 4.215 -8.550 7.598 1.00 0.00 C ATOM 376 CG LYS A 557 5.080 -7.358 7.229 1.00 0.00 C ATOM 377 CD LYS A 557 5.983 -6.946 8.379 1.00 0.00 C ATOM 378 CE LYS A 557 5.300 -5.942 9.293 1.00 0.00 C ATOM 379 NZ LYS A 557 4.527 -6.613 10.376 1.00 0.00 N ATOM 0 H LYS A 557 2.220 -10.060 7.752 1.00 0.00 H new ATOM 0 HA LYS A 557 3.088 -8.519 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.417 -8.217 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.817 -9.266 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.688 -7.604 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.444 -6.519 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 557 6.267 -7.828 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.902 -6.513 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.049 -5.285 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 557 4.631 -5.313 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 3.615 -6.129 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.359 -7.607 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.067 -6.572 11.264 1.00 0.00 H new ATOM 393 N MET A 558 5.418 -10.844 6.170 1.00 0.00 N ATOM 394 CA MET A 558 6.493 -11.550 5.484 1.00 0.00 C ATOM 395 C MET A 558 6.141 -11.780 4.017 1.00 0.00 C ATOM 396 O MET A 558 6.955 -11.530 3.127 1.00 0.00 O ATOM 397 CB MET A 558 6.773 -12.889 6.170 1.00 0.00 C ATOM 398 CG MET A 558 7.930 -13.658 5.553 1.00 0.00 C ATOM 399 SD MET A 558 8.781 -14.707 6.747 1.00 0.00 S ATOM 400 CE MET A 558 9.997 -13.563 7.397 1.00 0.00 C ATOM 0 H MET A 558 5.282 -11.125 7.141 1.00 0.00 H new ATOM 0 HA MET A 558 7.390 -10.932 5.532 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.987 -12.710 7.224 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.875 -13.505 6.127 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.557 -14.274 4.735 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.641 -12.953 5.122 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.604 -14.066 8.150 1.00 0.00 H new ATOM 0 HE2 MET A 558 10.639 -13.215 6.587 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.490 -12.711 7.849 1.00 0.00 H new ATOM 410 N ASP A 559 4.927 -12.260 3.773 1.00 0.00 N ATOM 411 CA ASP A 559 4.469 -12.524 2.414 1.00 0.00 C ATOM 412 C ASP A 559 4.419 -11.236 1.597 1.00 0.00 C ATOM 413 O ASP A 559 4.915 -11.182 0.472 1.00 0.00 O ATOM 414 CB ASP A 559 3.088 -13.181 2.438 1.00 0.00 C ATOM 415 CG ASP A 559 3.133 -14.606 2.955 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.006 -14.796 4.182 1.00 0.00 O ATOM 417 OD2 ASP A 559 3.296 -15.530 2.132 1.00 0.00 O ATOM 0 H ASP A 559 4.242 -12.474 4.498 1.00 0.00 H new ATOM 0 HA ASP A 559 5.179 -13.204 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.419 -12.591 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.669 -13.176 1.432 1.00 0.00 H new ATOM 422 N VAL A 560 3.814 -10.200 2.171 1.00 0.00 N ATOM 423 CA VAL A 560 3.698 -8.913 1.497 1.00 0.00 C ATOM 424 C VAL A 560 5.066 -8.390 1.073 1.00 0.00 C ATOM 425 O VAL A 560 5.234 -7.891 -0.041 1.00 0.00 O ATOM 426 CB VAL A 560 3.018 -7.866 2.399 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.056 -6.493 1.747 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.588 -8.279 2.709 1.00 0.00 C ATOM 0 H VAL A 560 3.397 -10.228 3.101 1.00 0.00 H new ATOM 0 HA VAL A 560 3.083 -9.074 0.612 1.00 0.00 H new ATOM 0 HB VAL A 560 3.568 -7.810 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.571 -5.767 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.092 -6.197 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.532 -6.529 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.123 -7.528 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.025 -8.365 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.590 -9.241 3.222 1.00 0.00 H new ATOM 438 N LEU A 561 6.042 -8.508 1.967 1.00 0.00 N ATOM 439 CA LEU A 561 7.397 -8.048 1.685 1.00 0.00 C ATOM 440 C LEU A 561 7.954 -8.725 0.437 1.00 0.00 C ATOM 441 O LEU A 561 8.577 -8.079 -0.405 1.00 0.00 O ATOM 442 CB LEU A 561 8.309 -8.326 2.880 1.00 0.00 C ATOM 443 CG LEU A 561 7.770 -7.907 4.249 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.724 -8.337 5.354 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.542 -6.403 4.295 1.00 0.00 C ATOM 0 H LEU A 561 5.920 -8.918 2.893 1.00 0.00 H new ATOM 0 HA LEU A 561 7.360 -6.973 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.522 -9.395 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.258 -7.816 2.714 1.00 0.00 H new ATOM 0 HG LEU A 561 6.814 -8.405 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.324 -8.030 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.837 -9.421 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.696 -7.868 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.159 -6.123 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.484 -5.886 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 561 6.820 -6.121 3.529 1.00 0.00 H new ATOM 457 N GLN A 562 7.723 -10.030 0.326 1.00 0.00 N ATOM 458 CA GLN A 562 8.201 -10.794 -0.821 1.00 0.00 C ATOM 459 C GLN A 562 7.548 -10.306 -2.110 1.00 0.00 C ATOM 460 O GLN A 562 8.214 -10.149 -3.134 1.00 0.00 O ATOM 461 CB GLN A 562 7.915 -12.284 -0.623 1.00 0.00 C ATOM 462 CG GLN A 562 8.927 -13.192 -1.301 1.00 0.00 C ATOM 463 CD GLN A 562 10.097 -13.539 -0.400 1.00 0.00 C ATOM 464 OE1 GLN A 562 11.228 -13.119 -0.645 1.00 0.00 O ATOM 465 NE2 GLN A 562 9.830 -14.307 0.649 1.00 0.00 N ATOM 0 H GLN A 562 7.209 -10.579 1.015 1.00 0.00 H new ATOM 0 HA GLN A 562 9.278 -10.645 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.900 -12.504 0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.921 -12.509 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.431 -14.110 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.299 -12.705 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 562 8.877 -14.632 0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 562 10.577 -14.572 1.291 1.00 0.00 H new ATOM 474 N PHE A 563 6.242 -10.069 -2.054 1.00 0.00 N ATOM 475 CA PHE A 563 5.499 -9.601 -3.218 1.00 0.00 C ATOM 476 C PHE A 563 5.973 -8.215 -3.644 1.00 0.00 C ATOM 477 O PHE A 563 5.760 -7.796 -4.783 1.00 0.00 O ATOM 478 CB PHE A 563 4.000 -9.567 -2.912 1.00 0.00 C ATOM 479 CG PHE A 563 3.186 -8.893 -3.980 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.949 -9.525 -5.191 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.658 -7.629 -3.773 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.199 -8.909 -6.175 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.907 -7.008 -4.754 1.00 0.00 C ATOM 484 CZ PHE A 563 1.679 -7.648 -5.957 1.00 0.00 C ATOM 0 H PHE A 563 5.676 -10.193 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 563 5.681 -10.296 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.640 -10.588 -2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.842 -9.050 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.355 -10.510 -5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.835 -7.123 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.020 -9.413 -7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.499 -6.023 -4.580 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.095 -7.163 -6.726 1.00 0.00 H new ATOM 494 N LEU A 564 6.619 -7.508 -2.724 1.00 0.00 N ATOM 495 CA LEU A 564 7.125 -6.168 -3.003 1.00 0.00 C ATOM 496 C LEU A 564 8.633 -6.193 -3.233 1.00 0.00 C ATOM 497 O LEU A 564 9.261 -5.148 -3.396 1.00 0.00 O ATOM 498 CB LEU A 564 6.789 -5.224 -1.848 1.00 0.00 C ATOM 499 CG LEU A 564 5.336 -4.757 -1.764 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.140 -3.831 -0.573 1.00 0.00 C ATOM 501 CD2 LEU A 564 4.923 -4.063 -3.054 1.00 0.00 C ATOM 0 H LEU A 564 6.805 -7.840 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 564 6.643 -5.806 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.044 -5.722 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.428 -4.345 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 564 4.701 -5.632 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.100 -3.509 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.394 -4.360 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 564 5.785 -2.959 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 564 3.886 -3.737 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.563 -3.197 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.024 -4.757 -3.889 1.00 0.00 H new ATOM 513 N GLU A 565 9.205 -7.392 -3.246 1.00 0.00 N ATOM 514 CA GLU A 565 10.639 -7.552 -3.458 1.00 0.00 C ATOM 515 C GLU A 565 11.129 -6.636 -4.576 1.00 0.00 C ATOM 516 O GLU A 565 10.453 -6.459 -5.589 1.00 0.00 O ATOM 517 CB GLU A 565 10.968 -9.008 -3.795 1.00 0.00 C ATOM 518 CG GLU A 565 12.441 -9.249 -4.077 1.00 0.00 C ATOM 519 CD GLU A 565 12.695 -10.575 -4.768 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.659 -10.609 -6.016 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.926 -11.578 -4.061 1.00 0.00 O ATOM 0 H GLU A 565 8.698 -8.267 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 565 11.150 -7.276 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.657 -9.643 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.386 -9.311 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.825 -8.440 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.996 -9.220 -3.139 1.00 0.00 H new ATOM 528 N GLY A 566 12.310 -6.056 -4.384 1.00 0.00 N ATOM 529 CA GLY A 566 12.870 -5.164 -5.382 1.00 0.00 C ATOM 530 C GLY A 566 12.728 -3.705 -5.001 1.00 0.00 C ATOM 531 O GLY A 566 13.314 -2.830 -5.640 1.00 0.00 O ATOM 0 H GLY A 566 12.889 -6.188 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.925 -5.398 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.375 -5.336 -6.338 1.00 0.00 H new ATOM 535 N ILE A 567 11.946 -3.440 -3.960 1.00 0.00 N ATOM 536 CA ILE A 567 11.729 -2.075 -3.496 1.00 0.00 C ATOM 537 C ILE A 567 12.370 -1.849 -2.131 1.00 0.00 C ATOM 538 O ILE A 567 11.833 -2.236 -1.093 1.00 0.00 O ATOM 539 CB ILE A 567 10.227 -1.743 -3.407 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.484 -2.314 -4.616 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.022 -0.239 -3.313 1.00 0.00 C ATOM 542 CD1 ILE A 567 7.981 -2.331 -4.448 1.00 0.00 C ATOM 0 H ILE A 567 11.452 -4.152 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 567 12.196 -1.415 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 567 9.821 -2.202 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 567 9.736 -1.726 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.833 -3.330 -4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 567 8.956 -0.020 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.523 0.142 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.440 0.241 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.520 -2.748 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.718 -2.943 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.621 -1.314 -4.295 1.00 0.00 H new ATOM 554 N PRO A 568 13.548 -1.206 -2.131 1.00 0.00 N ATOM 555 CA PRO A 568 14.288 -0.912 -0.900 1.00 0.00 C ATOM 556 C PRO A 568 13.401 -0.296 0.177 1.00 0.00 C ATOM 557 O PRO A 568 13.084 0.893 0.128 1.00 0.00 O ATOM 558 CB PRO A 568 15.350 0.090 -1.356 1.00 0.00 C ATOM 559 CG PRO A 568 15.573 -0.222 -2.796 1.00 0.00 C ATOM 560 CD PRO A 568 14.248 -0.717 -3.330 1.00 0.00 C ATOM 0 HA PRO A 568 14.700 -1.814 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.009 1.117 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.269 -0.018 -0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.906 0.663 -3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.348 -0.979 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.691 0.081 -3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.384 -1.510 -4.065 1.00 0.00 H new ATOM 568 N VAL A 569 13.003 -1.111 1.148 1.00 0.00 N ATOM 569 CA VAL A 569 12.154 -0.645 2.237 1.00 0.00 C ATOM 570 C VAL A 569 12.180 -1.619 3.410 1.00 0.00 C ATOM 571 O VAL A 569 12.181 -2.835 3.220 1.00 0.00 O ATOM 572 CB VAL A 569 10.697 -0.457 1.772 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.101 -1.786 1.333 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.863 0.171 2.878 1.00 0.00 C ATOM 0 H VAL A 569 13.255 -2.098 1.203 1.00 0.00 H new ATOM 0 HA VAL A 569 12.552 0.317 2.559 1.00 0.00 H new ATOM 0 HB VAL A 569 10.691 0.217 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.072 -1.634 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.686 -2.192 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.118 -2.486 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.837 0.297 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.874 -0.477 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.279 1.144 3.140 1.00 0.00 H new ATOM 584 N ASP A 570 12.200 -1.077 4.622 1.00 0.00 N ATOM 585 CA ASP A 570 12.225 -1.897 5.827 1.00 0.00 C ATOM 586 C ASP A 570 10.846 -2.484 6.113 1.00 0.00 C ATOM 587 O ASP A 570 9.865 -2.132 5.460 1.00 0.00 O ATOM 588 CB ASP A 570 12.699 -1.070 7.024 1.00 0.00 C ATOM 589 CG ASP A 570 14.210 -0.980 7.102 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.872 -2.037 7.039 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.731 0.149 7.228 1.00 0.00 O ATOM 0 H ASP A 570 12.199 -0.072 4.796 1.00 0.00 H new ATOM 0 HA ASP A 570 12.923 -2.718 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 570 12.281 -0.066 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.316 -1.514 7.943 1.00 0.00 H new ATOM 596 N GLU A 571 10.782 -3.381 7.092 1.00 0.00 N ATOM 597 CA GLU A 571 9.523 -4.018 7.461 1.00 0.00 C ATOM 598 C GLU A 571 8.546 -2.998 8.039 1.00 0.00 C ATOM 599 O GLU A 571 7.404 -2.895 7.594 1.00 0.00 O ATOM 600 CB GLU A 571 9.771 -5.136 8.478 1.00 0.00 C ATOM 601 CG GLU A 571 10.690 -6.231 7.965 1.00 0.00 C ATOM 602 CD GLU A 571 11.478 -6.898 9.076 1.00 0.00 C ATOM 603 OE1 GLU A 571 11.757 -6.226 10.091 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.816 -8.091 8.931 1.00 0.00 O ATOM 0 H GLU A 571 11.586 -3.683 7.643 1.00 0.00 H new ATOM 0 HA GLU A 571 9.084 -4.446 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.202 -4.705 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 571 8.815 -5.578 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.098 -6.982 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.382 -5.808 7.237 1.00 0.00 H new ATOM 611 N ASN A 572 9.005 -2.246 9.035 1.00 0.00 N ATOM 612 CA ASN A 572 8.172 -1.234 9.675 1.00 0.00 C ATOM 613 C ASN A 572 7.464 -0.373 8.633 1.00 0.00 C ATOM 614 O ASN A 572 6.298 -0.015 8.796 1.00 0.00 O ATOM 615 CB ASN A 572 9.020 -0.351 10.592 1.00 0.00 C ATOM 616 CG ASN A 572 9.635 -1.129 11.739 1.00 0.00 C ATOM 617 OD1 ASN A 572 10.698 -1.733 11.595 1.00 0.00 O ATOM 618 ND2 ASN A 572 8.965 -1.120 12.886 1.00 0.00 N ATOM 0 H ASN A 572 9.948 -2.318 9.416 1.00 0.00 H new ATOM 0 HA ASN A 572 7.416 -1.745 10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.813 0.118 10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.401 0.452 10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.328 -1.628 13.693 1.00 0.00 H new ATOM 0 HD22 ASN A 572 8.087 -0.605 12.960 1.00 0.00 H new ATOM 625 N ALA A 573 8.178 -0.046 7.561 1.00 0.00 N ATOM 626 CA ALA A 573 7.618 0.771 6.490 1.00 0.00 C ATOM 627 C ALA A 573 6.236 0.269 6.082 1.00 0.00 C ATOM 628 O ALA A 573 5.365 1.055 5.709 1.00 0.00 O ATOM 629 CB ALA A 573 8.553 0.781 5.290 1.00 0.00 C ATOM 0 H ALA A 573 9.145 -0.334 7.411 1.00 0.00 H new ATOM 0 HA ALA A 573 7.511 1.790 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 573 8.123 1.394 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.518 1.193 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.689 -0.237 4.926 1.00 0.00 H new ATOM 635 N VAL A 574 6.044 -1.045 6.155 1.00 0.00 N ATOM 636 CA VAL A 574 4.768 -1.650 5.795 1.00 0.00 C ATOM 637 C VAL A 574 3.858 -1.781 7.011 1.00 0.00 C ATOM 638 O VAL A 574 4.211 -2.428 7.997 1.00 0.00 O ATOM 639 CB VAL A 574 4.966 -3.041 5.163 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.622 -3.697 4.883 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.793 -2.935 3.890 1.00 0.00 C ATOM 0 H VAL A 574 6.755 -1.709 6.460 1.00 0.00 H new ATOM 0 HA VAL A 574 4.300 -0.990 5.065 1.00 0.00 H new ATOM 0 HB VAL A 574 5.509 -3.668 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.782 -4.678 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.070 -3.808 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.050 -3.075 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.923 -3.927 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.280 -2.291 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.769 -2.511 4.125 1.00 0.00 H new ATOM 651 N HIS A 575 2.683 -1.165 6.933 1.00 0.00 N ATOM 652 CA HIS A 575 1.720 -1.213 8.028 1.00 0.00 C ATOM 653 C HIS A 575 0.496 -2.035 7.638 1.00 0.00 C ATOM 654 O HIS A 575 -0.369 -1.567 6.898 1.00 0.00 O ATOM 655 CB HIS A 575 1.295 0.202 8.424 1.00 0.00 C ATOM 656 CG HIS A 575 2.391 1.002 9.058 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.207 1.762 10.193 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.690 1.154 8.710 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.345 2.351 10.515 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.261 1.998 9.632 1.00 0.00 N ATOM 0 H HIS A 575 2.374 -0.627 6.123 1.00 0.00 H new ATOM 0 HA HIS A 575 2.200 -1.692 8.882 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.940 0.727 7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.455 0.140 9.116 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.185 0.697 7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.500 3.009 11.357 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.235 2.302 9.634 1.00 0.00 H new ATOM 668 N VAL A 576 0.430 -3.264 8.142 1.00 0.00 N ATOM 669 CA VAL A 576 -0.689 -4.151 7.846 1.00 0.00 C ATOM 670 C VAL A 576 -1.857 -3.897 8.793 1.00 0.00 C ATOM 671 O VAL A 576 -1.684 -3.850 10.012 1.00 0.00 O ATOM 672 CB VAL A 576 -0.273 -5.631 7.948 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.466 -6.539 7.695 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.855 -5.935 6.973 1.00 0.00 C ATOM 0 H VAL A 576 1.137 -3.667 8.756 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.001 -3.938 6.824 1.00 0.00 H new ATOM 0 HB VAL A 576 0.090 -5.820 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.153 -7.580 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.240 -6.338 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.861 -6.351 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.137 -6.985 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.522 -5.730 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.716 -5.308 7.206 1.00 0.00 H new ATOM 684 N LEU A 577 -3.047 -3.732 8.224 1.00 0.00 N ATOM 685 CA LEU A 577 -4.245 -3.483 9.018 1.00 0.00 C ATOM 686 C LEU A 577 -4.693 -4.750 9.740 1.00 0.00 C ATOM 687 O LEU A 577 -4.019 -5.779 9.688 1.00 0.00 O ATOM 688 CB LEU A 577 -5.373 -2.967 8.123 1.00 0.00 C ATOM 689 CG LEU A 577 -5.217 -1.537 7.605 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.216 -1.261 6.491 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.391 -0.536 8.738 1.00 0.00 C ATOM 0 H LEU A 577 -3.207 -3.766 7.217 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.006 -2.727 9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.464 -3.635 7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.309 -3.031 8.678 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.211 -1.426 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.090 -0.239 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.045 -1.956 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.229 -1.391 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.277 0.476 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.384 -0.648 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.637 -0.718 9.504 1.00 0.00 H new ATOM 809 N GLY A 586 -7.371 -7.937 4.390 1.00 0.00 N ATOM 810 CA GLY A 586 -6.790 -7.875 3.063 1.00 0.00 C ATOM 811 C GLY A 586 -6.394 -6.466 2.669 1.00 0.00 C ATOM 812 O GLY A 586 -6.552 -6.072 1.513 1.00 0.00 O ATOM 0 HA2 GLY A 586 -5.912 -8.520 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.505 -8.264 2.338 1.00 0.00 H new ATOM 816 N GLN A 587 -5.880 -5.707 3.631 1.00 0.00 N ATOM 817 CA GLN A 587 -5.464 -4.332 3.377 1.00 0.00 C ATOM 818 C GLN A 587 -4.175 -4.008 4.125 1.00 0.00 C ATOM 819 O GLN A 587 -4.086 -4.194 5.339 1.00 0.00 O ATOM 820 CB GLN A 587 -6.567 -3.357 3.792 1.00 0.00 C ATOM 821 CG GLN A 587 -7.863 -3.540 3.018 1.00 0.00 C ATOM 822 CD GLN A 587 -8.672 -2.262 2.926 1.00 0.00 C ATOM 823 OE1 GLN A 587 -9.852 -2.234 3.277 1.00 0.00 O ATOM 824 NE2 GLN A 587 -8.041 -1.195 2.452 1.00 0.00 N ATOM 0 H GLN A 587 -5.742 -6.020 4.592 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.280 -4.226 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.768 -3.481 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.210 -2.337 3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.635 -3.894 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.463 -4.312 3.499 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -7.062 -1.263 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -8.535 -0.307 2.367 1.00 0.00 H new ATOM 833 N ALA A 588 -3.177 -3.523 3.393 1.00 0.00 N ATOM 834 CA ALA A 588 -1.893 -3.171 3.987 1.00 0.00 C ATOM 835 C ALA A 588 -1.325 -1.904 3.357 1.00 0.00 C ATOM 836 O ALA A 588 -1.506 -1.658 2.164 1.00 0.00 O ATOM 837 CB ALA A 588 -0.910 -4.324 3.841 1.00 0.00 C ATOM 0 H ALA A 588 -3.233 -3.365 2.387 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.052 -2.977 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.044 -4.047 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.306 -5.206 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.764 -4.546 2.784 1.00 0.00 H new ATOM 843 N LEU A 589 -0.637 -1.105 4.165 1.00 0.00 N ATOM 844 CA LEU A 589 -0.041 0.137 3.685 1.00 0.00 C ATOM 845 C LEU A 589 1.478 0.021 3.613 1.00 0.00 C ATOM 846 O LEU A 589 2.085 -0.774 4.331 1.00 0.00 O ATOM 847 CB LEU A 589 -0.433 1.300 4.599 1.00 0.00 C ATOM 848 CG LEU A 589 -1.885 1.770 4.504 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.261 2.594 5.725 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.102 2.574 3.229 1.00 0.00 C ATOM 0 H LEU A 589 -0.478 -1.295 5.155 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.419 0.328 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.234 1.008 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.217 2.146 4.376 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.530 0.892 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.298 2.919 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.144 1.988 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.611 3.467 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.141 2.901 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.447 3.445 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.874 1.952 2.363 1.00 0.00 H new ATOM 862 N VAL A 590 2.086 0.820 2.744 1.00 0.00 N ATOM 863 CA VAL A 590 3.536 0.810 2.580 1.00 0.00 C ATOM 864 C VAL A 590 4.090 2.228 2.497 1.00 0.00 C ATOM 865 O VAL A 590 3.631 3.037 1.691 1.00 0.00 O ATOM 866 CB VAL A 590 3.952 0.033 1.317 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.457 -0.188 1.298 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.209 -1.292 1.237 1.00 0.00 C ATOM 0 H VAL A 590 1.598 1.483 2.142 1.00 0.00 H new ATOM 0 HA VAL A 590 3.950 0.313 3.457 1.00 0.00 H new ATOM 0 HB VAL A 590 3.685 0.626 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.733 -0.739 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.966 0.776 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.752 -0.760 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.516 -1.827 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.443 -1.894 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.136 -1.106 1.200 1.00 0.00 H new ATOM 878 N GLN A 591 5.078 2.521 3.335 1.00 0.00 N ATOM 879 CA GLN A 591 5.695 3.842 3.356 1.00 0.00 C ATOM 880 C GLN A 591 7.142 3.775 2.879 1.00 0.00 C ATOM 881 O GLN A 591 7.971 3.087 3.475 1.00 0.00 O ATOM 882 CB GLN A 591 5.637 4.432 4.766 1.00 0.00 C ATOM 883 CG GLN A 591 6.280 5.805 4.878 1.00 0.00 C ATOM 884 CD GLN A 591 6.711 6.135 6.293 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.177 5.591 7.260 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.684 7.030 6.423 1.00 0.00 N ATOM 0 H GLN A 591 5.469 1.862 4.008 1.00 0.00 H new ATOM 0 HA GLN A 591 5.138 4.487 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.595 4.501 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.133 3.750 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 591 7.147 5.851 4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.575 6.561 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 591 8.099 7.456 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 591 8.016 7.291 7.351 1.00 0.00 H new ATOM 895 N PHE A 592 7.439 4.494 1.802 1.00 0.00 N ATOM 896 CA PHE A 592 8.786 4.515 1.244 1.00 0.00 C ATOM 897 C PHE A 592 9.494 5.824 1.580 1.00 0.00 C ATOM 898 O PHE A 592 8.910 6.720 2.191 1.00 0.00 O ATOM 899 CB PHE A 592 8.736 4.325 -0.273 1.00 0.00 C ATOM 900 CG PHE A 592 7.972 3.103 -0.700 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.569 1.853 -0.674 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.658 3.206 -1.126 1.00 0.00 C ATOM 903 CE1 PHE A 592 7.869 0.727 -1.064 1.00 0.00 C ATOM 904 CE2 PHE A 592 5.952 2.083 -1.517 1.00 0.00 C ATOM 905 CZ PHE A 592 6.559 0.842 -1.488 1.00 0.00 C ATOM 0 H PHE A 592 6.765 5.070 1.298 1.00 0.00 H new ATOM 0 HA PHE A 592 9.348 3.694 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.280 5.205 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.754 4.260 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.593 1.757 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.180 4.174 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.345 -0.242 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 592 4.927 2.176 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.011 -0.036 -1.796 1.00 0.00 H new ATOM 915 N LYS A 593 10.756 5.928 1.179 1.00 0.00 N ATOM 916 CA LYS A 593 11.545 7.126 1.435 1.00 0.00 C ATOM 917 C LYS A 593 11.379 8.140 0.308 1.00 0.00 C ATOM 918 O LYS A 593 10.971 9.277 0.538 1.00 0.00 O ATOM 919 CB LYS A 593 13.024 6.764 1.596 1.00 0.00 C ATOM 920 CG LYS A 593 13.307 5.886 2.802 1.00 0.00 C ATOM 921 CD LYS A 593 14.784 5.888 3.160 1.00 0.00 C ATOM 922 CE LYS A 593 15.615 5.186 2.096 1.00 0.00 C ATOM 923 NZ LYS A 593 17.019 5.684 2.072 1.00 0.00 N ATOM 0 H LYS A 593 11.255 5.195 0.674 1.00 0.00 H new ATOM 0 HA LYS A 593 11.184 7.576 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.364 6.251 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.607 7.681 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.725 6.238 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.984 4.866 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 593 15.130 6.915 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 593 14.928 5.393 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 593 15.613 4.112 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 593 15.158 5.339 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 17.553 5.182 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 17.022 6.704 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 17.463 5.515 2.997 1.00 0.00 H new ATOM 937 N ASN A 594 11.697 7.718 -0.912 1.00 0.00 N ATOM 938 CA ASN A 594 11.580 8.589 -2.077 1.00 0.00 C ATOM 939 C ASN A 594 10.758 7.921 -3.175 1.00 0.00 C ATOM 940 O ASN A 594 10.729 6.696 -3.284 1.00 0.00 O ATOM 941 CB ASN A 594 12.968 8.949 -2.609 1.00 0.00 C ATOM 942 CG ASN A 594 13.931 9.337 -1.504 1.00 0.00 C ATOM 943 OD1 ASN A 594 14.937 8.666 -1.277 1.00 0.00 O ATOM 944 ND2 ASN A 594 13.624 10.427 -0.808 1.00 0.00 N ATOM 0 H ASN A 594 12.037 6.779 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 594 11.068 9.501 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.374 8.100 -3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.880 9.774 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.233 10.737 -0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 594 12.779 10.953 -1.031 1.00 0.00 H new ATOM 951 N GLU A 595 10.093 8.738 -3.987 1.00 0.00 N ATOM 952 CA GLU A 595 9.272 8.226 -5.077 1.00 0.00 C ATOM 953 C GLU A 595 10.009 7.138 -5.851 1.00 0.00 C ATOM 954 O GLU A 595 9.391 6.293 -6.499 1.00 0.00 O ATOM 955 CB GLU A 595 8.877 9.361 -6.025 1.00 0.00 C ATOM 956 CG GLU A 595 8.142 10.499 -5.337 1.00 0.00 C ATOM 957 CD GLU A 595 7.680 11.568 -6.310 1.00 0.00 C ATOM 958 OE1 GLU A 595 7.609 11.275 -7.522 1.00 0.00 O ATOM 959 OE2 GLU A 595 7.389 12.695 -5.860 1.00 0.00 O ATOM 0 H GLU A 595 10.107 9.755 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 595 8.371 7.792 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.775 9.755 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.246 8.958 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.279 10.100 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.796 10.950 -4.591 1.00 0.00 H new ATOM 966 N ASP A 596 11.336 7.165 -5.779 1.00 0.00 N ATOM 967 CA ASP A 596 12.160 6.180 -6.471 1.00 0.00 C ATOM 968 C ASP A 596 11.671 4.764 -6.183 1.00 0.00 C ATOM 969 O ASP A 596 11.700 3.897 -7.056 1.00 0.00 O ATOM 970 CB ASP A 596 13.623 6.323 -6.053 1.00 0.00 C ATOM 971 CG ASP A 596 13.942 5.551 -4.788 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.388 5.898 -3.724 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.745 4.598 -4.863 1.00 0.00 O ATOM 0 H ASP A 596 11.864 7.858 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 596 12.078 6.362 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.265 5.972 -6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.852 7.377 -5.899 1.00 0.00 H new ATOM 978 N ASP A 597 11.224 4.536 -4.953 1.00 0.00 N ATOM 979 CA ASP A 597 10.730 3.226 -4.549 1.00 0.00 C ATOM 980 C ASP A 597 9.221 3.126 -4.757 1.00 0.00 C ATOM 981 O ASP A 597 8.703 2.066 -5.105 1.00 0.00 O ATOM 982 CB ASP A 597 11.074 2.957 -3.083 1.00 0.00 C ATOM 983 CG ASP A 597 12.561 2.767 -2.863 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.272 2.467 -3.844 1.00 0.00 O ATOM 985 OD2 ASP A 597 13.014 2.916 -1.708 1.00 0.00 O ATOM 0 H ASP A 597 11.194 5.243 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 597 11.215 2.474 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.723 3.788 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.543 2.067 -2.746 1.00 0.00 H new ATOM 990 N ALA A 598 8.524 4.236 -4.541 1.00 0.00 N ATOM 991 CA ALA A 598 7.077 4.273 -4.705 1.00 0.00 C ATOM 992 C ALA A 598 6.679 3.946 -6.140 1.00 0.00 C ATOM 993 O ALA A 598 5.895 3.027 -6.382 1.00 0.00 O ATOM 994 CB ALA A 598 6.535 5.638 -4.305 1.00 0.00 C ATOM 0 H ALA A 598 8.939 5.122 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 598 6.643 3.515 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.453 5.651 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.780 5.835 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.984 6.406 -4.934 1.00 0.00 H new ATOM 1000 N ARG A 599 7.223 4.701 -7.088 1.00 0.00 N ATOM 1001 CA ARG A 599 6.923 4.491 -8.499 1.00 0.00 C ATOM 1002 C ARG A 599 7.038 3.015 -8.866 1.00 0.00 C ATOM 1003 O ARG A 599 6.473 2.566 -9.863 1.00 0.00 O ATOM 1004 CB ARG A 599 7.869 5.319 -9.372 1.00 0.00 C ATOM 1005 CG ARG A 599 7.547 6.805 -9.380 1.00 0.00 C ATOM 1006 CD ARG A 599 8.086 7.485 -10.629 1.00 0.00 C ATOM 1007 NE ARG A 599 8.010 8.941 -10.535 1.00 0.00 N ATOM 1008 CZ ARG A 599 8.258 9.757 -11.553 1.00 0.00 C ATOM 1009 NH1 ARG A 599 8.595 9.262 -12.736 1.00 0.00 N ATOM 1010 NH2 ARG A 599 8.167 11.070 -11.389 1.00 0.00 N ATOM 0 H ARG A 599 7.874 5.464 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 599 5.897 4.813 -8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.891 5.179 -9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.830 4.942 -10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.467 6.945 -9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 599 7.975 7.276 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 599 9.122 7.185 -10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 599 7.521 7.148 -11.498 1.00 0.00 H new ATOM 0 HE ARG A 599 7.752 9.353 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 599 8.664 8.253 -12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 599 8.785 9.891 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 599 7.906 11.454 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 599 8.358 11.696 -12.171 1.00 0.00 H new ATOM 1024 N LYS A 600 7.773 2.264 -8.052 1.00 0.00 N ATOM 1025 CA LYS A 600 7.962 0.837 -8.289 1.00 0.00 C ATOM 1026 C LYS A 600 6.771 0.038 -7.771 1.00 0.00 C ATOM 1027 O LYS A 600 6.253 -0.841 -8.461 1.00 0.00 O ATOM 1028 CB LYS A 600 9.248 0.353 -7.613 1.00 0.00 C ATOM 1029 CG LYS A 600 10.487 1.118 -8.047 1.00 0.00 C ATOM 1030 CD LYS A 600 11.754 0.325 -7.775 1.00 0.00 C ATOM 1031 CE LYS A 600 12.820 0.602 -8.823 1.00 0.00 C ATOM 1032 NZ LYS A 600 12.741 -0.355 -9.961 1.00 0.00 N ATOM 0 H LYS A 600 8.248 2.620 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 600 8.043 0.680 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.136 0.442 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.389 -0.705 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.421 1.347 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.532 2.070 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.139 0.579 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.522 -0.740 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.707 1.620 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.806 0.539 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.484 -0.133 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.874 -1.325 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 11.809 -0.277 -10.416 1.00 0.00 H new ATOM 1046 N SER A 601 6.340 0.348 -6.552 1.00 0.00 N ATOM 1047 CA SER A 601 5.211 -0.344 -5.942 1.00 0.00 C ATOM 1048 C SER A 601 3.987 -0.295 -6.851 1.00 0.00 C ATOM 1049 O SER A 601 3.216 -1.251 -6.922 1.00 0.00 O ATOM 1050 CB SER A 601 4.878 0.279 -4.584 1.00 0.00 C ATOM 1051 OG SER A 601 3.975 1.361 -4.729 1.00 0.00 O ATOM 0 H SER A 601 6.756 1.074 -5.968 1.00 0.00 H new ATOM 0 HA SER A 601 5.491 -1.387 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.443 -0.477 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.793 0.626 -4.105 1.00 0.00 H new ATOM 0 HG SER A 601 4.396 2.070 -5.259 1.00 0.00 H new ATOM 1057 N GLU A 602 3.817 0.827 -7.543 1.00 0.00 N ATOM 1058 CA GLU A 602 2.687 1.002 -8.448 1.00 0.00 C ATOM 1059 C GLU A 602 2.857 0.148 -9.702 1.00 0.00 C ATOM 1060 O GLU A 602 1.909 -0.053 -10.461 1.00 0.00 O ATOM 1061 CB GLU A 602 2.538 2.474 -8.836 1.00 0.00 C ATOM 1062 CG GLU A 602 3.802 3.079 -9.423 1.00 0.00 C ATOM 1063 CD GLU A 602 3.535 4.364 -10.184 1.00 0.00 C ATOM 1064 OE1 GLU A 602 3.512 5.437 -9.548 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.349 4.294 -11.418 1.00 0.00 O ATOM 0 H GLU A 602 4.447 1.628 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 602 1.785 0.678 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.729 2.570 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.247 3.046 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.512 3.277 -8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.270 2.356 -10.091 1.00 0.00 H new ATOM 1072 N ARG A 603 4.070 -0.349 -9.912 1.00 0.00 N ATOM 1073 CA ARG A 603 4.366 -1.179 -11.074 1.00 0.00 C ATOM 1074 C ARG A 603 3.767 -2.574 -10.913 1.00 0.00 C ATOM 1075 O ARG A 603 3.731 -3.359 -11.861 1.00 0.00 O ATOM 1076 CB ARG A 603 5.878 -1.283 -11.282 1.00 0.00 C ATOM 1077 CG ARG A 603 6.272 -1.667 -12.699 1.00 0.00 C ATOM 1078 CD ARG A 603 6.151 -0.487 -13.651 1.00 0.00 C ATOM 1079 NE ARG A 603 7.029 0.616 -13.269 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.362 1.606 -14.090 1.00 0.00 C ATOM 1081 NH1 ARG A 603 6.892 1.631 -15.330 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.166 2.575 -13.670 1.00 0.00 N ATOM 0 H ARG A 603 4.865 -0.192 -9.293 1.00 0.00 H new ATOM 0 HA ARG A 603 3.917 -0.708 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.337 -0.326 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.282 -2.021 -10.589 1.00 0.00 H new ATOM 0 HG2 ARG A 603 7.297 -2.037 -12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.637 -2.482 -13.046 1.00 0.00 H new ATOM 0 HD2 ARG A 603 6.395 -0.811 -14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 603 5.118 -0.139 -13.668 1.00 0.00 H new ATOM 0 HE ARG A 603 7.407 0.627 -12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 603 6.273 0.889 -15.656 1.00 0.00 H new ATOM 0 HH12 ARG A 603 7.150 2.393 -15.958 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.528 2.560 -12.717 1.00 0.00 H new ATOM 0 HH22 ARG A 603 8.421 3.335 -14.301 1.00 0.00 H new ATOM 1096 N LEU A 604 3.297 -2.874 -9.708 1.00 0.00 N ATOM 1097 CA LEU A 604 2.699 -4.174 -9.420 1.00 0.00 C ATOM 1098 C LEU A 604 1.176 -4.087 -9.431 1.00 0.00 C ATOM 1099 O LEU A 604 0.490 -5.001 -8.972 1.00 0.00 O ATOM 1100 CB LEU A 604 3.184 -4.692 -8.065 1.00 0.00 C ATOM 1101 CG LEU A 604 4.687 -4.935 -7.938 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.037 -5.393 -6.530 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.151 -5.959 -8.964 1.00 0.00 C ATOM 0 H LEU A 604 3.318 -2.235 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 604 3.009 -4.870 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 604 2.886 -3.978 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 604 2.666 -5.626 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 604 5.205 -3.996 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.112 -5.561 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 604 4.741 -4.626 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 604 4.509 -6.320 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.224 -6.119 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.626 -6.900 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 604 4.936 -5.592 -9.967 1.00 0.00 H new ATOM 1115 N HIS A 605 0.656 -2.984 -9.959 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.787 -2.779 -10.031 1.00 0.00 C ATOM 1117 C HIS A 605 -1.449 -3.872 -10.864 1.00 0.00 C ATOM 1118 O HIS A 605 -0.938 -4.262 -11.914 1.00 0.00 O ATOM 1119 CB HIS A 605 -1.099 -1.406 -10.629 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.561 -1.170 -10.853 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.521 -1.428 -9.898 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.225 -0.694 -11.932 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.712 -1.122 -10.379 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.560 -0.674 -11.612 1.00 0.00 N ATOM 0 H HIS A 605 1.211 -2.219 -10.343 1.00 0.00 H new ATOM 0 HA HIS A 605 -1.187 -2.825 -9.018 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.712 -0.633 -9.965 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.573 -1.304 -11.578 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.786 -0.387 -12.870 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.650 -1.221 -9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.312 -0.364 -12.227 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.590 -4.363 -10.388 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.320 -5.412 -11.087 1.00 0.00 C ATOM 1134 C ARG A 606 -2.486 -6.687 -11.180 1.00 0.00 C ATOM 1135 O ARG A 606 -2.429 -7.330 -12.228 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.711 -4.944 -12.490 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.726 -3.811 -12.492 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.569 -2.925 -13.718 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.232 -3.490 -14.891 1.00 0.00 N ATOM 1140 CZ ARG A 606 -6.550 -3.613 -15.000 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -7.342 -3.215 -14.014 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -7.079 -4.138 -16.099 1.00 0.00 N ATOM 0 H ARG A 606 -3.027 -4.050 -9.521 1.00 0.00 H new ATOM 0 HA ARG A 606 -4.224 -5.630 -10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.815 -4.619 -13.019 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.120 -5.788 -13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.734 -4.224 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.605 -3.211 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.983 -1.939 -13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -3.509 -2.787 -13.932 1.00 0.00 H new ATOM 0 HE ARG A 606 -4.652 -3.807 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -6.940 -2.812 -13.168 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -8.354 -3.311 -14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -6.473 -4.447 -16.859 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -8.091 -4.233 -16.183 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.840 -7.047 -10.076 1.00 0.00 N ATOM 1157 CA LYS A 607 -1.009 -8.244 -10.030 1.00 0.00 C ATOM 1158 C LYS A 607 -1.773 -9.413 -9.417 1.00 0.00 C ATOM 1159 O LYS A 607 -2.834 -9.230 -8.821 1.00 0.00 O ATOM 1160 CB LYS A 607 0.265 -7.975 -9.227 1.00 0.00 C ATOM 1161 CG LYS A 607 1.417 -7.454 -10.070 1.00 0.00 C ATOM 1162 CD LYS A 607 2.044 -8.561 -10.902 1.00 0.00 C ATOM 1163 CE LYS A 607 3.133 -9.290 -10.131 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.985 -10.120 -11.026 1.00 0.00 N ATOM 0 H LYS A 607 -1.876 -6.526 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.737 -8.507 -11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.044 -7.252 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.575 -8.896 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.059 -6.662 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.173 -7.012 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.274 -9.271 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.464 -8.138 -11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 607 3.755 -8.564 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.677 -9.925 -9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.715 -10.601 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.396 -10.829 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 4.440 -9.511 -11.735 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.225 -10.614 -9.564 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.852 -11.814 -9.023 1.00 0.00 C ATOM 1180 C LYS A 608 -1.077 -12.336 -7.818 1.00 0.00 C ATOM 1181 O LYS A 608 -0.023 -12.956 -7.965 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.937 -12.900 -10.097 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.564 -12.423 -11.396 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.778 -13.572 -12.367 1.00 0.00 C ATOM 1185 CE LYS A 608 -4.133 -14.232 -12.159 1.00 0.00 C ATOM 1186 NZ LYS A 608 -4.518 -15.086 -13.316 1.00 0.00 N ATOM 0 H LYS A 608 -0.346 -10.783 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.860 -11.552 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.934 -13.274 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.517 -13.738 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.519 -11.941 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.923 -11.671 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -2.705 -13.204 -13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -1.988 -14.312 -12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -4.106 -14.838 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -4.891 -13.464 -12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -5.447 -15.517 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -4.568 -14.503 -14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -3.808 -15.835 -13.446 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.606 -12.083 -6.625 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.964 -12.529 -5.393 1.00 0.00 C ATOM 1202 C LEU A 609 -1.694 -13.731 -4.803 1.00 0.00 C ATOM 1203 O LEU A 609 -2.852 -13.630 -4.399 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.926 -11.390 -4.373 1.00 0.00 C ATOM 1205 CG LEU A 609 0.019 -11.583 -3.186 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.074 -10.402 -2.233 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.295 -12.883 -2.460 1.00 0.00 C ATOM 0 H LEU A 609 -2.477 -11.572 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 609 0.056 -12.828 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.643 -10.474 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.935 -11.240 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 609 1.040 -11.639 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.605 -10.557 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.201 -9.488 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.095 -10.314 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.387 -13.004 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.321 -12.857 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.176 -13.721 -3.147 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.008 -14.869 -4.757 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.591 -16.091 -4.214 1.00 0.00 C ATOM 1221 C ASN A 610 -2.820 -16.510 -5.017 1.00 0.00 C ATOM 1222 O ASN A 610 -3.726 -17.156 -4.492 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.972 -15.891 -2.745 1.00 0.00 C ATOM 1224 CG ASN A 610 -1.938 -17.187 -1.959 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -2.175 -18.264 -2.505 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.644 -17.087 -0.668 1.00 0.00 N ATOM 0 H ASN A 610 -0.049 -14.970 -5.089 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.845 -16.882 -4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -1.289 -15.174 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.971 -15.460 -2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -1.608 -17.924 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.454 -16.173 -0.257 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.842 -16.138 -6.293 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.963 -16.485 -7.147 1.00 0.00 C ATOM 1235 C GLY A 611 -5.117 -15.510 -7.014 1.00 0.00 C ATOM 1236 O GLY A 611 -6.247 -15.821 -7.391 1.00 0.00 O ATOM 0 H GLY A 611 -2.104 -15.603 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.631 -16.511 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.309 -17.488 -6.898 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.833 -14.329 -6.474 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.855 -13.307 -6.289 1.00 0.00 C ATOM 1242 C ARG A 612 -5.386 -11.962 -6.833 1.00 0.00 C ATOM 1243 O ARG A 612 -4.268 -11.527 -6.557 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.212 -13.175 -4.807 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.250 -14.181 -4.337 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.662 -13.709 -4.644 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.598 -14.823 -4.761 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.130 -15.450 -3.717 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.820 -15.071 -2.485 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.975 -16.455 -3.905 1.00 0.00 N ATOM 0 H ARG A 612 -3.903 -14.057 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.742 -13.612 -6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.307 -13.295 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.584 -12.168 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -7.073 -15.141 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.144 -14.341 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.998 -13.034 -3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.660 -13.138 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 612 -9.858 -15.138 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.172 -14.297 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -10.229 -15.553 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -11.217 -16.747 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.383 -16.935 -3.103 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.247 -11.309 -7.607 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.918 -10.013 -8.190 1.00 0.00 C ATOM 1266 C GLU A 613 -5.831 -8.937 -7.111 1.00 0.00 C ATOM 1267 O GLU A 613 -6.680 -8.864 -6.223 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.964 -9.620 -9.235 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.957 -10.508 -10.468 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.320 -10.605 -11.125 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.772 -9.596 -11.705 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -8.934 -11.691 -11.059 1.00 0.00 O ATOM 0 H GLU A 613 -7.176 -11.655 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.945 -10.097 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.953 -9.655 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.791 -8.588 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.238 -10.118 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.620 -11.507 -10.190 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.799 -8.104 -7.196 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.602 -7.032 -6.229 1.00 0.00 C ATOM 1281 C ALA A 614 -4.532 -5.675 -6.922 1.00 0.00 C ATOM 1282 O ALA A 614 -4.189 -5.585 -8.101 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.337 -7.278 -5.419 1.00 0.00 C ATOM 0 H ALA A 614 -4.087 -8.151 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.457 -7.023 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.202 -6.470 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.424 -8.225 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.478 -7.315 -6.089 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.861 -4.621 -6.182 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.838 -3.268 -6.726 1.00 0.00 C ATOM 1291 C PHE A 615 -4.023 -2.337 -5.834 1.00 0.00 C ATOM 1292 O PHE A 615 -4.249 -2.261 -4.625 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.264 -2.731 -6.875 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.129 -3.568 -7.774 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.645 -4.029 -8.988 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.424 -3.892 -7.406 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.439 -4.798 -9.818 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.223 -4.660 -8.232 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.729 -5.115 -9.439 1.00 0.00 C ATOM 0 H PHE A 615 -5.147 -4.678 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.367 -3.306 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.727 -2.673 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.222 -1.715 -7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.637 -3.785 -9.289 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.814 -3.540 -6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.051 -5.151 -10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.232 -4.904 -7.934 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.350 -5.717 -10.085 1.00 0.00 H new ATOM 1309 N VAL A 616 -3.073 -1.630 -6.437 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.223 -0.703 -5.699 1.00 0.00 C ATOM 1311 C VAL A 616 -2.580 0.743 -6.019 1.00 0.00 C ATOM 1312 O VAL A 616 -2.744 1.111 -7.183 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.733 -0.936 -6.014 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.144 -0.267 -4.967 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.434 -2.424 -6.101 1.00 0.00 C ATOM 0 H VAL A 616 -2.872 -1.681 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.396 -0.890 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.509 -0.487 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.193 -0.442 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 616 -0.052 0.805 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 616 -0.079 -0.684 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.623 -2.570 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.673 -2.899 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -1.037 -2.871 -6.892 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.698 1.563 -4.979 1.00 0.00 N ATOM 1326 CA HIS A 617 -3.034 2.971 -5.149 1.00 0.00 C ATOM 1327 C HIS A 617 -1.985 3.864 -4.494 1.00 0.00 C ATOM 1328 O HIS A 617 -1.770 3.800 -3.282 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.413 3.264 -4.557 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.547 2.819 -5.428 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.141 1.580 -5.316 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.196 3.457 -6.429 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.105 1.474 -6.212 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.161 2.599 -6.900 1.00 0.00 N ATOM 0 H HIS A 617 -2.566 1.276 -4.009 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.053 3.187 -6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.495 2.771 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.502 4.336 -4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.994 4.454 -6.791 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.740 0.613 -6.357 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.814 2.799 -7.658 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.334 4.695 -5.300 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.306 5.600 -4.799 1.00 0.00 C ATOM 1344 C VAL A 618 -0.930 6.817 -4.124 1.00 0.00 C ATOM 1345 O VAL A 618 -1.732 7.531 -4.727 1.00 0.00 O ATOM 1346 CB VAL A 618 0.626 6.074 -5.929 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.756 6.924 -5.368 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.175 4.884 -6.700 1.00 0.00 C ATOM 0 H VAL A 618 -1.500 4.761 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 618 0.279 5.042 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 618 0.049 6.690 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.404 7.250 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.340 7.796 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.335 6.336 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.832 5.237 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.738 4.240 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.350 4.320 -7.135 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.555 7.050 -2.870 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.075 8.182 -2.113 1.00 0.00 C ATOM 1360 C VAL A 619 0.039 8.893 -1.354 1.00 0.00 C ATOM 1361 O VAL A 619 1.212 8.542 -1.476 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.161 7.739 -1.115 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.338 7.114 -1.849 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.583 6.769 -0.095 1.00 0.00 C ATOM 0 H VAL A 619 0.108 6.469 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.515 8.870 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.521 8.619 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.095 6.807 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.766 7.843 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.997 6.243 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.364 6.466 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.194 5.890 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.776 7.255 0.453 1.00 0.00 H new ATOM 1374 N THR A 620 -0.337 9.897 -0.566 1.00 0.00 N ATOM 1375 CA THR A 620 0.629 10.659 0.215 1.00 0.00 C ATOM 1376 C THR A 620 0.700 10.150 1.650 1.00 0.00 C ATOM 1377 O THR A 620 -0.225 9.499 2.135 1.00 0.00 O ATOM 1378 CB THR A 620 0.282 12.159 0.229 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.104 12.338 0.545 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.586 12.799 -1.117 1.00 0.00 C ATOM 0 H THR A 620 -1.304 10.201 -0.452 1.00 0.00 H new ATOM 0 HA THR A 620 1.599 10.524 -0.263 1.00 0.00 H new ATOM 0 HB THR A 620 0.894 12.643 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.317 13.295 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.332 13.858 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.647 12.687 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.003 12.311 -1.893 1.00 0.00 H new ATOM 1388 N LEU A 621 1.802 10.453 2.326 1.00 0.00 N ATOM 1389 CA LEU A 621 1.994 10.028 3.708 1.00 0.00 C ATOM 1390 C LEU A 621 0.784 10.391 4.563 1.00 0.00 C ATOM 1391 O LEU A 621 0.187 9.531 5.209 1.00 0.00 O ATOM 1392 CB LEU A 621 3.254 10.669 4.290 1.00 0.00 C ATOM 1393 CG LEU A 621 3.352 10.693 5.817 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.150 9.297 6.386 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.693 11.262 6.257 1.00 0.00 C ATOM 0 H LEU A 621 2.577 10.992 1.939 1.00 0.00 H new ATOM 0 HA LEU A 621 2.109 8.944 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.122 10.138 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.317 11.694 3.926 1.00 0.00 H new ATOM 0 HG LEU A 621 2.563 11.338 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.223 9.333 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.165 8.927 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.917 8.629 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.745 11.271 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.498 10.643 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.798 12.279 5.880 1.00 0.00 H new ATOM 1407 N GLU A 622 0.426 11.672 4.558 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.715 12.148 5.331 1.00 0.00 C ATOM 1409 C GLU A 622 -1.938 11.266 5.097 1.00 0.00 C ATOM 1410 O GLU A 622 -2.594 10.831 6.045 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.040 13.598 4.963 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.989 14.275 5.937 1.00 0.00 C ATOM 1413 CD GLU A 622 -1.474 14.256 7.363 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.542 13.186 8.004 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -1.003 15.310 7.837 1.00 0.00 O ATOM 0 H GLU A 622 0.909 12.397 4.028 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.451 12.099 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.113 14.169 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.479 13.621 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.147 15.308 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -2.958 13.778 5.898 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.239 11.007 3.829 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.383 10.176 3.470 1.00 0.00 C ATOM 1424 C ASP A 623 -3.272 8.795 4.105 1.00 0.00 C ATOM 1425 O ASP A 623 -4.241 8.273 4.656 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.486 10.046 1.950 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.126 11.262 1.306 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.969 11.906 1.963 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.780 11.569 0.146 1.00 0.00 O ATOM 0 H ASP A 623 -1.707 11.360 3.033 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.285 10.657 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.490 9.900 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.069 9.159 1.703 1.00 0.00 H new ATOM 1434 N MET A 624 -2.083 8.205 4.023 1.00 0.00 N ATOM 1435 CA MET A 624 -1.846 6.882 4.590 1.00 0.00 C ATOM 1436 C MET A 624 -2.194 6.857 6.075 1.00 0.00 C ATOM 1437 O MET A 624 -2.856 5.935 6.551 1.00 0.00 O ATOM 1438 CB MET A 624 -0.386 6.472 4.390 1.00 0.00 C ATOM 1439 CG MET A 624 -0.015 5.179 5.099 1.00 0.00 C ATOM 1440 SD MET A 624 1.719 5.131 5.589 1.00 0.00 S ATOM 1441 CE MET A 624 1.567 5.107 7.374 1.00 0.00 C ATOM 0 H MET A 624 -1.270 8.622 3.570 1.00 0.00 H new ATOM 0 HA MET A 624 -2.490 6.171 4.072 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.191 6.361 3.323 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.260 7.273 4.750 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.642 5.061 5.983 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.227 4.335 4.442 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.560 5.077 7.823 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.045 6.004 7.707 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.004 4.225 7.679 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.743 7.875 6.801 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.006 7.968 8.231 1.00 0.00 C ATOM 1453 C ARG A 625 -3.505 8.054 8.505 1.00 0.00 C ATOM 1454 O ARG A 625 -4.034 7.333 9.350 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.298 9.188 8.824 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.154 9.134 10.336 1.00 0.00 C ATOM 1457 CD ARG A 625 -0.226 10.226 10.846 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.394 10.462 12.278 1.00 0.00 N ATOM 1459 CZ ARG A 625 0.438 11.202 13.003 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.488 11.776 12.434 1.00 0.00 N ATOM 1461 NH2 ARG A 625 0.218 11.370 14.301 1.00 0.00 N ATOM 0 H ARG A 625 -1.194 8.646 6.422 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.619 7.066 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.308 9.276 8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.852 10.087 8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -2.134 9.242 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.767 8.159 10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.808 9.947 10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -0.419 11.150 10.301 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.193 10.036 12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.660 11.650 11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 625 2.125 12.343 12.994 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -0.590 10.931 14.742 1.00 0.00 H new ATOM 0 HH22 ARG A 625 0.857 11.938 14.857 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.183 8.942 7.784 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.619 9.123 7.951 1.00 0.00 C ATOM 1477 C GLU A 626 -6.361 7.805 7.747 1.00 0.00 C ATOM 1478 O GLU A 626 -7.500 7.648 8.187 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.141 10.171 6.966 1.00 0.00 C ATOM 1480 CG GLU A 626 -5.975 11.601 7.453 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.531 12.619 6.477 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -6.162 12.560 5.285 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.335 13.474 6.904 1.00 0.00 O ATOM 0 H GLU A 626 -3.760 9.546 7.079 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.800 9.469 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.618 10.057 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.197 9.982 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.476 11.714 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -4.917 11.803 7.620 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.707 6.862 7.079 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.303 5.557 6.819 1.00 0.00 C ATOM 1492 C ILE A 627 -5.987 4.574 7.940 1.00 0.00 C ATOM 1493 O ILE A 627 -6.816 3.737 8.295 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.810 4.971 5.482 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.172 5.903 4.326 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.404 3.587 5.262 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.354 5.663 3.077 1.00 0.00 C ATOM 0 H ILE A 627 -4.764 6.977 6.708 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.381 5.707 6.766 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.725 4.878 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.228 5.780 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.036 6.936 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.048 3.185 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.099 2.927 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.492 3.657 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.665 6.360 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.298 5.815 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.509 4.641 2.732 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.784 4.686 8.496 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.361 3.806 9.580 1.00 0.00 C ATOM 1511 C GLU A 628 -5.097 4.143 10.873 1.00 0.00 C ATOM 1512 O GLU A 628 -5.073 3.372 11.833 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.850 3.918 9.795 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.261 2.760 10.582 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.007 3.149 11.341 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -0.197 3.925 10.789 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -0.833 2.678 12.484 1.00 0.00 O ATOM 0 H GLU A 628 -4.087 5.375 8.215 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.606 2.782 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.357 3.975 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.634 4.849 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -3.006 2.387 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.029 1.942 9.900 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.750 5.300 10.891 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.494 5.740 12.065 1.00 0.00 C ATOM 1526 C LYS A 629 -7.958 5.325 11.969 1.00 0.00 C ATOM 1527 O LYS A 629 -8.548 4.864 12.945 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.392 7.260 12.218 1.00 0.00 C ATOM 1529 CG LYS A 629 -7.053 8.030 11.087 1.00 0.00 C ATOM 1530 CD LYS A 629 -7.051 9.526 11.356 1.00 0.00 C ATOM 1531 CE LYS A 629 -8.274 9.952 12.151 1.00 0.00 C ATOM 1532 NZ LYS A 629 -8.356 11.432 12.294 1.00 0.00 N ATOM 0 H LYS A 629 -5.779 5.950 10.105 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.057 5.262 12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.850 7.553 13.163 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -5.340 7.542 12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -6.530 7.827 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -8.079 7.683 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.148 9.797 11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.025 10.067 10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -9.174 9.585 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -8.243 9.493 13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -9.204 11.681 12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -7.510 11.781 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -8.412 11.869 11.352 1.00 0.00 H new