USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 629 THR OG1 : rot 180:sc= 0.023 USER MOD Set 1.2: A 630 ASN : amide:sc= 0 X(o=0.023,f=0.023) USER MOD Set 2.1: A 602 LYS NZ :NH3+ 164:sc= 0.438 (180deg=-0.499) USER MOD Set 2.2: A 603 ASN : amide:sc= 0.426 K(o=0.86,f=-6.1!) USER MOD Set 3.1: A 571 TYR OH : rot -16:sc= 1.22 USER MOD Set 3.2: A 609 ASN : amide:sc= -11! C(o=-9.8!,f=-12!) USER MOD Set 4.1: A 563 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0) USER MOD Set 4.2: A 567 ASN : amide:sc= 0.344! C(o=1.5!,f=-10!) USER MOD Single : A 504 THR OG1 : rot 129:sc= 1.3 USER MOD Single : A 506 MET CE :methyl -125:sc= -6.01! (180deg=-9.36!) USER MOD Single : A 510 LYS NZ :NH3+ -137:sc= 1.2 (180deg=0.909) USER MOD Single : A 513 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 SER OG : rot -83:sc= 1.24 USER MOD Single : A 517 MET CE :methyl 177:sc= -3.46! (180deg=-3.54!) USER MOD Single : A 523 GLN :FLIP amide:sc= -0.549 F(o=-1.5,f=-0.55) USER MOD Single : A 524 SER OG : rot 76:sc= 0.936 USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 530 THR OG1 : rot 56:sc= 0.97 USER MOD Single : A 532 ASN :FLIP amide:sc= -0.993 F(o=-4!,f=-0.99) USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 101:sc= -0.646! USER MOD Single : A 543 THR OG1 : rot 173:sc= 0.966 USER MOD Single : A 544 ASN :FLIP amide:sc= -0.0159 F(o=-1.5,f=-0.016) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0713) USER MOD Single : A 572 HIS :FLIP no HD1:sc= -2.42 F(o=-6.5!,f=-2.4) USER MOD Single : A 580 SER OG : rot -20:sc= -1.25 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -68:sc= -0.488 USER MOD Single : A 593 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.2) USER MOD Single : A 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 SER OG : rot 42:sc= 1.25 USER MOD Single : A 604 ASN :FLIP amide:sc= -0.144 F(o=-1.9!,f=-0.14) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 619 MET CE :methyl 142:sc= -0.385 (180deg=-1.6!) USER MOD Single : A 621 THR OG1 : rot 78:sc= 1.1 USER MOD Single : A 622 ASN : amide:sc= -1.66! C(o=-1.7!,f=-16!) USER MOD Single : A 626 HIS : no HD1:sc= 0.25 K(o=0.25,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 37 N GLY A 503 -0.471 -16.263 6.000 1.00 0.00 N ATOM 38 CA GLY A 503 -0.991 -16.024 4.677 1.00 0.00 C ATOM 39 C GLY A 503 -0.026 -15.261 3.809 1.00 0.00 C ATOM 40 O GLY A 503 1.182 -15.243 4.057 1.00 0.00 O ATOM 0 HA2 GLY A 503 -1.225 -16.978 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -1.925 -15.468 4.752 1.00 0.00 H new ATOM 44 N THR A 504 -0.582 -14.623 2.798 1.00 0.00 N ATOM 45 CA THR A 504 0.173 -13.818 1.863 1.00 0.00 C ATOM 46 C THR A 504 0.345 -12.396 2.382 1.00 0.00 C ATOM 47 O THR A 504 0.055 -12.101 3.539 1.00 0.00 O ATOM 48 CB THR A 504 -0.538 -13.755 0.507 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.836 -13.163 0.675 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.691 -15.138 -0.107 1.00 0.00 C ATOM 0 H THR A 504 -1.583 -14.650 2.602 1.00 0.00 H new ATOM 0 HA THR A 504 1.151 -14.286 1.749 1.00 0.00 H new ATOM 0 HB THR A 504 0.070 -13.150 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 504 -1.948 -12.432 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 504 -1.199 -15.055 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.294 -15.582 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 504 -1.277 -15.770 0.560 1.00 0.00 H new ATOM 58 N VAL A 505 0.820 -11.526 1.503 1.00 0.00 N ATOM 59 CA VAL A 505 1.017 -10.114 1.800 1.00 0.00 C ATOM 60 C VAL A 505 -0.289 -9.475 2.262 1.00 0.00 C ATOM 61 O VAL A 505 -0.291 -8.511 3.015 1.00 0.00 O ATOM 62 CB VAL A 505 1.574 -9.395 0.548 1.00 0.00 C ATOM 63 CG1 VAL A 505 0.512 -9.132 -0.501 1.00 0.00 C ATOM 64 CG2 VAL A 505 2.290 -8.114 0.913 1.00 0.00 C ATOM 0 H VAL A 505 1.083 -11.783 0.552 1.00 0.00 H new ATOM 0 HA VAL A 505 1.738 -10.016 2.611 1.00 0.00 H new ATOM 0 HB VAL A 505 2.298 -10.080 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 505 0.962 -8.626 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 505 0.080 -10.078 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -0.270 -8.502 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 505 2.667 -7.637 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 505 1.596 -7.440 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 505 3.123 -8.340 1.578 1.00 0.00 H new ATOM 74 N MET A 506 -1.392 -10.046 1.805 1.00 0.00 N ATOM 75 CA MET A 506 -2.716 -9.637 2.246 1.00 0.00 C ATOM 76 C MET A 506 -2.967 -10.072 3.694 1.00 0.00 C ATOM 77 O MET A 506 -3.460 -9.285 4.501 1.00 0.00 O ATOM 78 CB MET A 506 -3.783 -10.219 1.315 1.00 0.00 C ATOM 79 CG MET A 506 -5.200 -10.086 1.843 1.00 0.00 C ATOM 80 SD MET A 506 -5.706 -8.379 2.109 1.00 0.00 S ATOM 81 CE MET A 506 -5.688 -7.739 0.433 1.00 0.00 C ATOM 0 H MET A 506 -1.395 -10.803 1.121 1.00 0.00 H new ATOM 0 HA MET A 506 -2.773 -8.549 2.208 1.00 0.00 H new ATOM 0 HB2 MET A 506 -3.718 -9.721 0.348 1.00 0.00 H new ATOM 0 HB3 MET A 506 -3.567 -11.274 1.145 1.00 0.00 H new ATOM 0 HG2 MET A 506 -5.888 -10.556 1.140 1.00 0.00 H new ATOM 0 HG3 MET A 506 -5.283 -10.632 2.783 1.00 0.00 H new ATOM 0 HE1 MET A 506 -5.049 -6.857 0.387 1.00 0.00 H new ATOM 0 HE2 MET A 506 -5.303 -8.502 -0.244 1.00 0.00 H new ATOM 0 HE3 MET A 506 -6.701 -7.468 0.136 1.00 0.00 H new ATOM 91 N ASP A 507 -2.610 -11.313 4.036 1.00 0.00 N ATOM 92 CA ASP A 507 -2.825 -11.807 5.392 1.00 0.00 C ATOM 93 C ASP A 507 -1.909 -11.087 6.363 1.00 0.00 C ATOM 94 O ASP A 507 -2.219 -10.953 7.549 1.00 0.00 O ATOM 95 CB ASP A 507 -2.578 -13.304 5.468 1.00 0.00 C ATOM 96 CG ASP A 507 -3.273 -13.936 6.659 1.00 0.00 C ATOM 97 OD1 ASP A 507 -4.459 -14.303 6.532 1.00 0.00 O1- ATOM 98 OD2 ASP A 507 -2.644 -14.055 7.732 1.00 0.00 O ATOM 0 H ASP A 507 -2.177 -11.983 3.400 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.862 -11.612 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.930 -13.776 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.506 -13.492 5.532 1.00 0.00 H new ATOM 103 N VAL A 508 -0.773 -10.629 5.846 1.00 0.00 N ATOM 104 CA VAL A 508 0.126 -9.763 6.610 1.00 0.00 C ATOM 105 C VAL A 508 -0.643 -8.600 7.228 1.00 0.00 C ATOM 106 O VAL A 508 -0.424 -8.235 8.386 1.00 0.00 O ATOM 107 CB VAL A 508 1.280 -9.219 5.735 1.00 0.00 C ATOM 108 CG1 VAL A 508 2.145 -8.231 6.510 1.00 0.00 C ATOM 109 CG2 VAL A 508 2.135 -10.364 5.214 1.00 0.00 C ATOM 0 H VAL A 508 -0.451 -10.842 4.902 1.00 0.00 H new ATOM 0 HA VAL A 508 0.560 -10.371 7.404 1.00 0.00 H new ATOM 0 HB VAL A 508 0.837 -8.692 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.947 -7.867 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 508 1.533 -7.391 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.575 -8.728 7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.943 -9.965 4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.557 -10.915 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.519 -11.034 4.613 1.00 0.00 H new ATOM 119 N LEU A 509 -1.559 -8.043 6.455 1.00 0.00 N ATOM 120 CA LEU A 509 -2.361 -6.915 6.901 1.00 0.00 C ATOM 121 C LEU A 509 -3.529 -7.411 7.746 1.00 0.00 C ATOM 122 O LEU A 509 -3.918 -6.786 8.731 1.00 0.00 O ATOM 123 CB LEU A 509 -2.878 -6.132 5.689 1.00 0.00 C ATOM 124 CG LEU A 509 -1.994 -6.204 4.436 1.00 0.00 C ATOM 125 CD1 LEU A 509 -2.528 -5.287 3.348 1.00 0.00 C ATOM 126 CD2 LEU A 509 -0.541 -5.882 4.761 1.00 0.00 C ATOM 0 H LEU A 509 -1.768 -8.356 5.507 1.00 0.00 H new ATOM 0 HA LEU A 509 -1.743 -6.254 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -3.871 -6.502 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -2.991 -5.086 5.974 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.026 -7.228 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -1.887 -5.353 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -3.541 -5.589 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -2.540 -4.260 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 509 0.057 -5.942 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -0.475 -4.875 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -0.164 -6.598 5.491 1.00 0.00 H new ATOM 138 N LYS A 510 -4.062 -8.561 7.349 1.00 0.00 N ATOM 139 CA LYS A 510 -5.204 -9.180 8.017 1.00 0.00 C ATOM 140 C LYS A 510 -4.882 -9.551 9.467 1.00 0.00 C ATOM 141 O LYS A 510 -5.757 -9.520 10.332 1.00 0.00 O ATOM 142 CB LYS A 510 -5.638 -10.415 7.215 1.00 0.00 C ATOM 143 CG LYS A 510 -6.562 -11.369 7.955 1.00 0.00 C ATOM 144 CD LYS A 510 -7.100 -12.437 7.018 1.00 0.00 C ATOM 145 CE LYS A 510 -7.535 -13.689 7.767 1.00 0.00 C ATOM 146 NZ LYS A 510 -6.369 -14.449 8.301 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.714 -9.093 6.552 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.023 -8.461 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -6.137 -10.082 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -4.747 -10.962 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -6.023 -11.839 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -7.391 -10.813 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -7.946 -12.036 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.333 -12.699 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.194 -13.410 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.111 -14.330 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.511 -15.466 8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -5.501 -14.137 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.280 -14.275 9.322 1.00 0.00 H new ATOM 160 N GLY A 511 -3.628 -9.889 9.731 1.00 0.00 N ATOM 161 CA GLY A 511 -3.227 -10.276 11.068 1.00 0.00 C ATOM 162 C GLY A 511 -2.681 -9.119 11.881 1.00 0.00 C ATOM 163 O GLY A 511 -2.182 -9.315 12.991 1.00 0.00 O ATOM 0 H GLY A 511 -2.878 -9.902 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -4.083 -10.706 11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -2.469 -11.056 11.002 1.00 0.00 H new ATOM 167 N ASP A 512 -2.764 -7.917 11.337 1.00 0.00 N ATOM 168 CA ASP A 512 -2.233 -6.745 12.016 1.00 0.00 C ATOM 169 C ASP A 512 -3.351 -5.780 12.396 1.00 0.00 C ATOM 170 O ASP A 512 -4.266 -5.535 11.611 1.00 0.00 O ATOM 171 CB ASP A 512 -1.209 -6.041 11.133 1.00 0.00 C ATOM 172 CG ASP A 512 -0.392 -5.040 11.917 1.00 0.00 C ATOM 173 OD1 ASP A 512 0.643 -5.438 12.490 1.00 0.00 O ATOM 174 OD2 ASP A 512 -0.806 -3.871 11.994 1.00 0.00 O1- ATOM 0 H ASP A 512 -3.192 -7.726 10.431 1.00 0.00 H new ATOM 0 HA ASP A 512 -1.743 -7.077 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.546 -6.780 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.721 -5.533 10.316 1.00 0.00 H new ATOM 179 N ASN A 513 -3.273 -5.233 13.606 1.00 0.00 N ATOM 180 CA ASN A 513 -4.306 -4.329 14.107 1.00 0.00 C ATOM 181 C ASN A 513 -4.197 -2.944 13.472 1.00 0.00 C ATOM 182 O ASN A 513 -5.183 -2.214 13.399 1.00 0.00 O ATOM 183 CB ASN A 513 -4.242 -4.203 15.635 1.00 0.00 C ATOM 184 CG ASN A 513 -4.586 -5.495 16.350 1.00 0.00 C ATOM 185 OD1 ASN A 513 -5.757 -5.795 16.592 1.00 0.00 O ATOM 186 ND2 ASN A 513 -3.568 -6.251 16.722 1.00 0.00 N ATOM 0 H ASN A 513 -2.506 -5.399 14.258 1.00 0.00 H new ATOM 0 HA ASN A 513 -5.267 -4.763 13.829 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -3.240 -3.888 15.927 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -4.929 -3.421 15.959 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -3.736 -7.120 17.230 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -2.614 -5.966 16.502 1.00 0.00 H new ATOM 193 N ARG A 514 -3.008 -2.586 13.000 1.00 0.00 N ATOM 194 CA ARG A 514 -2.799 -1.268 12.404 1.00 0.00 C ATOM 195 C ARG A 514 -3.366 -1.248 10.990 1.00 0.00 C ATOM 196 O ARG A 514 -3.793 -0.212 10.487 1.00 0.00 O ATOM 197 CB ARG A 514 -1.305 -0.919 12.374 1.00 0.00 C ATOM 198 CG ARG A 514 -0.601 -1.113 13.711 1.00 0.00 C ATOM 199 CD ARG A 514 0.910 -1.033 13.564 1.00 0.00 C ATOM 200 NE ARG A 514 1.387 0.341 13.396 1.00 0.00 N ATOM 201 CZ ARG A 514 2.474 0.675 12.698 1.00 0.00 C ATOM 202 NH1 ARG A 514 3.147 -0.251 12.029 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 2.887 1.937 12.661 1.00 0.00 N ATOM 0 H ARG A 514 -2.180 -3.182 13.017 1.00 0.00 H new ATOM 0 HA ARG A 514 -3.315 -0.524 13.011 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -0.813 -1.535 11.622 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -1.190 0.119 12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.940 -0.353 14.415 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -0.876 -2.081 14.131 1.00 0.00 H new ATOM 0 HD2 ARG A 514 1.381 -1.472 14.444 1.00 0.00 H new ATOM 0 HD3 ARG A 514 1.220 -1.629 12.706 1.00 0.00 H new ATOM 0 HE ARG A 514 0.855 1.090 13.840 1.00 0.00 H new ATOM 0 HH11 ARG A 514 2.834 -1.222 12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 514 3.978 0.007 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 514 2.372 2.657 13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 514 3.719 2.186 12.126 1.00 0.00 H new ATOM 217 N PHE A 515 -3.368 -2.410 10.357 1.00 0.00 N ATOM 218 CA PHE A 515 -3.880 -2.549 9.010 1.00 0.00 C ATOM 219 C PHE A 515 -5.239 -3.239 9.014 1.00 0.00 C ATOM 220 O PHE A 515 -5.723 -3.673 7.974 1.00 0.00 O ATOM 221 CB PHE A 515 -2.898 -3.355 8.171 1.00 0.00 C ATOM 222 CG PHE A 515 -1.547 -2.726 8.057 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.422 -1.387 7.724 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.400 -3.470 8.278 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.182 -0.804 7.615 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.846 -2.890 8.169 1.00 0.00 C ATOM 227 CZ PHE A 515 0.953 -1.554 7.836 1.00 0.00 C ATOM 0 H PHE A 515 -3.016 -3.277 10.763 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.000 -1.554 8.581 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -2.791 -4.348 8.607 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.312 -3.489 7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.308 -0.795 7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.482 -4.515 8.538 1.00 0.00 H new ATOM 0 HE1 PHE A 515 -0.097 0.241 7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.735 -3.478 8.343 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.927 -1.096 7.749 1.00 0.00 H new ATOM 237 N SER A 516 -5.852 -3.314 10.185 1.00 0.00 N ATOM 238 CA SER A 516 -7.119 -4.009 10.359 1.00 0.00 C ATOM 239 C SER A 516 -8.198 -3.466 9.426 1.00 0.00 C ATOM 240 O SER A 516 -8.829 -4.219 8.681 1.00 0.00 O ATOM 241 CB SER A 516 -7.568 -3.886 11.815 1.00 0.00 C ATOM 242 OG SER A 516 -7.584 -2.524 12.230 1.00 0.00 O ATOM 0 H SER A 516 -5.486 -2.896 11.040 1.00 0.00 H new ATOM 0 HA SER A 516 -6.969 -5.058 10.104 1.00 0.00 H new ATOM 0 HB2 SER A 516 -8.563 -4.317 11.930 1.00 0.00 H new ATOM 0 HB3 SER A 516 -6.897 -4.457 12.456 1.00 0.00 H new ATOM 0 HG SER A 516 -6.682 -2.254 12.500 1.00 0.00 H new ATOM 248 N MET A 517 -8.396 -2.156 9.470 1.00 0.00 N ATOM 249 CA MET A 517 -9.390 -1.499 8.637 1.00 0.00 C ATOM 250 C MET A 517 -8.965 -1.558 7.165 1.00 0.00 C ATOM 251 O MET A 517 -9.802 -1.627 6.264 1.00 0.00 O ATOM 252 CB MET A 517 -9.561 -0.047 9.102 1.00 0.00 C ATOM 253 CG MET A 517 -10.997 0.463 9.068 1.00 0.00 C ATOM 254 SD MET A 517 -11.688 0.540 7.408 1.00 0.00 S ATOM 255 CE MET A 517 -10.408 1.456 6.564 1.00 0.00 C ATOM 0 H MET A 517 -7.876 -1.524 10.079 1.00 0.00 H new ATOM 0 HA MET A 517 -10.347 -2.013 8.732 1.00 0.00 H new ATOM 0 HB2 MET A 517 -9.181 0.042 10.120 1.00 0.00 H new ATOM 0 HB3 MET A 517 -8.945 0.597 8.474 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.620 -0.186 9.683 1.00 0.00 H new ATOM 0 HG3 MET A 517 -11.033 1.456 9.515 1.00 0.00 H new ATOM 0 HE1 MET A 517 -10.660 1.543 5.507 1.00 0.00 H new ATOM 0 HE2 MET A 517 -10.325 2.451 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 517 -9.457 0.933 6.668 1.00 0.00 H new ATOM 265 N LEU A 518 -7.653 -1.563 6.942 1.00 0.00 N ATOM 266 CA LEU A 518 -7.081 -1.656 5.598 1.00 0.00 C ATOM 267 C LEU A 518 -7.602 -2.883 4.876 1.00 0.00 C ATOM 268 O LEU A 518 -8.034 -2.800 3.725 1.00 0.00 O ATOM 269 CB LEU A 518 -5.559 -1.717 5.704 1.00 0.00 C ATOM 270 CG LEU A 518 -4.793 -1.942 4.394 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.076 -0.839 3.389 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.301 -2.032 4.672 1.00 0.00 C ATOM 0 H LEU A 518 -6.957 -1.503 7.685 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.375 -0.776 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.210 -0.785 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.296 -2.518 6.395 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.135 -2.882 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -4.517 -1.030 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.143 -0.815 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -4.771 0.121 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -2.766 -2.192 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -2.960 -1.104 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.106 -2.865 5.348 1.00 0.00 H new ATOM 284 N VAL A 519 -7.569 -4.013 5.571 1.00 0.00 N ATOM 285 CA VAL A 519 -8.075 -5.273 5.026 1.00 0.00 C ATOM 286 C VAL A 519 -9.498 -5.102 4.503 1.00 0.00 C ATOM 287 O VAL A 519 -9.817 -5.514 3.392 1.00 0.00 O ATOM 288 CB VAL A 519 -8.096 -6.387 6.088 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.244 -7.753 5.436 1.00 0.00 C ATOM 290 CG2 VAL A 519 -6.857 -6.320 6.957 1.00 0.00 C ATOM 0 H VAL A 519 -7.196 -4.086 6.518 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.400 -5.553 4.217 1.00 0.00 H new ATOM 0 HB VAL A 519 -8.962 -6.233 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.256 -8.524 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.176 -7.788 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.406 -7.927 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -6.891 -7.116 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -5.970 -6.442 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -6.817 -5.354 7.460 1.00 0.00 H new ATOM 300 N ALA A 520 -10.334 -4.470 5.315 1.00 0.00 N ATOM 301 CA ALA A 520 -11.748 -4.294 4.993 1.00 0.00 C ATOM 302 C ALA A 520 -11.953 -3.360 3.798 1.00 0.00 C ATOM 303 O ALA A 520 -12.901 -3.530 3.024 1.00 0.00 O ATOM 304 CB ALA A 520 -12.494 -3.763 6.207 1.00 0.00 C ATOM 0 H ALA A 520 -10.056 -4.067 6.210 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.147 -5.270 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.548 -3.634 5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.399 -4.471 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.071 -2.803 6.503 1.00 0.00 H new ATOM 310 N ALA A 521 -11.078 -2.374 3.647 1.00 0.00 N ATOM 311 CA ALA A 521 -11.171 -1.466 2.513 1.00 0.00 C ATOM 312 C ALA A 521 -10.791 -2.187 1.227 1.00 0.00 C ATOM 313 O ALA A 521 -11.529 -2.153 0.244 1.00 0.00 O ATOM 314 CB ALA A 521 -10.300 -0.238 2.713 1.00 0.00 C ATOM 0 H ALA A 521 -10.306 -2.184 4.286 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.205 -1.129 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.393 0.419 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.621 0.294 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.260 -0.544 2.826 1.00 0.00 H new ATOM 320 N ILE A 522 -9.646 -2.864 1.250 1.00 0.00 N ATOM 321 CA ILE A 522 -9.194 -3.650 0.107 1.00 0.00 C ATOM 322 C ILE A 522 -10.216 -4.742 -0.202 1.00 0.00 C ATOM 323 O ILE A 522 -10.399 -5.147 -1.352 1.00 0.00 O ATOM 324 CB ILE A 522 -7.816 -4.290 0.377 1.00 0.00 C ATOM 325 CG1 ILE A 522 -6.832 -3.228 0.878 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.290 -4.952 -0.887 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.507 -3.788 1.348 1.00 0.00 C ATOM 0 H ILE A 522 -9.013 -2.884 2.050 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.097 -2.981 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 522 -7.924 -5.053 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.648 -2.512 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.294 -2.678 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.317 -5.400 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -7.986 -5.726 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.189 -4.205 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -4.867 -2.973 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -5.677 -4.482 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.021 -4.313 0.525 1.00 0.00 H new ATOM 339 N GLN A 523 -10.875 -5.209 0.850 1.00 0.00 N ATOM 340 CA GLN A 523 -11.968 -6.147 0.740 1.00 0.00 C ATOM 341 C GLN A 523 -13.087 -5.553 -0.100 1.00 0.00 C ATOM 342 O GLN A 523 -13.454 -6.104 -1.134 1.00 0.00 O ATOM 343 CB GLN A 523 -12.477 -6.464 2.143 1.00 0.00 C ATOM 344 CG GLN A 523 -13.190 -7.789 2.259 1.00 0.00 C ATOM 345 CD GLN A 523 -14.601 -7.773 1.688 1.00 0.00 C ATOM 346 OE1 GLN A 523 -14.732 -7.975 0.381 1.00 0.00 O flip ATOM 347 NE2 GLN A 523 -15.565 -7.530 2.409 1.00 0.00 N flip ATOM 0 H GLN A 523 -10.659 -4.941 1.810 1.00 0.00 H new ATOM 0 HA GLN A 523 -11.625 -7.060 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -11.634 -6.457 2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -13.155 -5.671 2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -12.607 -8.552 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -13.235 -8.077 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -15.429 -7.380 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -16.501 -7.478 2.008 1.00 0.00 H new ATOM 356 N SER A 524 -13.610 -4.425 0.352 1.00 0.00 N ATOM 357 CA SER A 524 -14.715 -3.752 -0.322 1.00 0.00 C ATOM 358 C SER A 524 -14.346 -3.409 -1.763 1.00 0.00 C ATOM 359 O SER A 524 -15.207 -3.321 -2.639 1.00 0.00 O ATOM 360 CB SER A 524 -15.089 -2.487 0.453 1.00 0.00 C ATOM 361 OG SER A 524 -15.341 -2.791 1.818 1.00 0.00 O ATOM 0 H SER A 524 -13.284 -3.949 1.193 1.00 0.00 H new ATOM 0 HA SER A 524 -15.573 -4.423 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.282 -1.758 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 524 -15.973 -2.030 0.008 1.00 0.00 H new ATOM 0 HG SER A 524 -14.491 -2.943 2.282 1.00 0.00 H new ATOM 367 N ALA A 525 -13.055 -3.238 -1.999 1.00 0.00 N ATOM 368 CA ALA A 525 -12.550 -2.955 -3.330 1.00 0.00 C ATOM 369 C ALA A 525 -12.564 -4.207 -4.203 1.00 0.00 C ATOM 370 O ALA A 525 -12.503 -4.116 -5.432 1.00 0.00 O ATOM 371 CB ALA A 525 -11.141 -2.392 -3.245 1.00 0.00 C ATOM 0 H ALA A 525 -12.334 -3.291 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.204 -2.215 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.771 -2.183 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.152 -1.470 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.488 -3.118 -2.762 1.00 0.00 H new ATOM 377 N GLY A 526 -12.670 -5.373 -3.569 1.00 0.00 N ATOM 378 CA GLY A 526 -12.595 -6.617 -4.298 1.00 0.00 C ATOM 379 C GLY A 526 -11.193 -6.888 -4.794 1.00 0.00 C ATOM 380 O GLY A 526 -10.992 -7.147 -5.978 1.00 0.00 O ATOM 0 H GLY A 526 -12.806 -5.473 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -12.919 -7.436 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.281 -6.585 -5.144 1.00 0.00 H new ATOM 384 N LEU A 527 -10.216 -6.788 -3.893 1.00 0.00 N ATOM 385 CA LEU A 527 -8.827 -7.067 -4.245 1.00 0.00 C ATOM 386 C LEU A 527 -8.192 -8.059 -3.281 1.00 0.00 C ATOM 387 O LEU A 527 -6.962 -8.192 -3.245 1.00 0.00 O ATOM 388 CB LEU A 527 -7.984 -5.799 -4.249 1.00 0.00 C ATOM 389 CG LEU A 527 -8.460 -4.680 -5.174 1.00 0.00 C ATOM 390 CD1 LEU A 527 -7.606 -3.440 -4.993 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.422 -5.130 -6.619 1.00 0.00 C ATOM 0 H LEU A 527 -10.361 -6.518 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 527 -8.849 -7.495 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.944 -5.410 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -6.965 -6.065 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 527 -9.490 -4.437 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -7.960 -2.654 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -7.675 -3.098 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -6.568 -3.675 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -8.765 -4.319 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.401 -5.401 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -9.073 -5.995 -6.748 1.00 0.00 H new ATOM 403 N THR A 528 -9.004 -8.756 -2.496 1.00 0.00 N ATOM 404 CA THR A 528 -8.467 -9.763 -1.600 1.00 0.00 C ATOM 405 C THR A 528 -7.784 -10.842 -2.421 1.00 0.00 C ATOM 406 O THR A 528 -6.620 -11.151 -2.199 1.00 0.00 O ATOM 407 CB THR A 528 -9.545 -10.416 -0.715 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.225 -9.419 0.067 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.910 -11.461 0.202 1.00 0.00 C ATOM 0 H THR A 528 -10.017 -8.644 -2.463 1.00 0.00 H new ATOM 0 HA THR A 528 -7.762 -9.262 -0.937 1.00 0.00 H new ATOM 0 HB THR A 528 -10.273 -10.907 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.908 -9.849 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 528 -9.681 -11.916 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.429 -12.231 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 528 -8.166 -10.982 0.839 1.00 0.00 H new ATOM 417 N GLU A 529 -8.507 -11.364 -3.408 1.00 0.00 N ATOM 418 CA GLU A 529 -7.996 -12.423 -4.267 1.00 0.00 C ATOM 419 C GLU A 529 -6.744 -11.955 -5.005 1.00 0.00 C ATOM 420 O GLU A 529 -5.867 -12.757 -5.307 1.00 0.00 O ATOM 421 CB GLU A 529 -9.073 -12.895 -5.265 1.00 0.00 C ATOM 422 CG GLU A 529 -9.417 -11.897 -6.370 1.00 0.00 C ATOM 423 CD GLU A 529 -9.910 -10.573 -5.834 1.00 0.00 C ATOM 424 OE1 GLU A 529 -11.089 -10.493 -5.433 1.00 0.00 O ATOM 425 OE2 GLU A 529 -9.107 -9.620 -5.788 1.00 0.00 O1- ATOM 0 H GLU A 529 -9.456 -11.066 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.729 -13.271 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -8.736 -13.823 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -9.982 -13.127 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -8.535 -11.728 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -10.181 -12.328 -7.017 1.00 0.00 H new ATOM 432 N THR A 530 -6.653 -10.649 -5.262 1.00 0.00 N ATOM 433 CA THR A 530 -5.503 -10.087 -5.945 1.00 0.00 C ATOM 434 C THR A 530 -4.233 -10.304 -5.122 1.00 0.00 C ATOM 435 O THR A 530 -3.221 -10.777 -5.634 1.00 0.00 O ATOM 436 CB THR A 530 -5.704 -8.581 -6.219 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.943 -8.369 -6.923 1.00 0.00 O ATOM 438 CG2 THR A 530 -4.555 -8.016 -7.042 1.00 0.00 C ATOM 0 H THR A 530 -7.366 -9.966 -5.004 1.00 0.00 H new ATOM 0 HA THR A 530 -5.397 -10.600 -6.901 1.00 0.00 H new ATOM 0 HB THR A 530 -5.732 -8.066 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 530 -7.681 -8.763 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 530 -4.723 -6.954 -7.220 1.00 0.00 H new ATOM 0 HG22 THR A 530 -3.619 -8.150 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 530 -4.499 -8.539 -7.996 1.00 0.00 H new ATOM 446 N LEU A 531 -4.300 -9.989 -3.832 1.00 0.00 N ATOM 447 CA LEU A 531 -3.150 -10.172 -2.958 1.00 0.00 C ATOM 448 C LEU A 531 -3.155 -11.549 -2.300 1.00 0.00 C ATOM 449 O LEU A 531 -2.232 -11.895 -1.572 1.00 0.00 O ATOM 450 CB LEU A 531 -3.098 -9.084 -1.888 1.00 0.00 C ATOM 451 CG LEU A 531 -2.769 -7.680 -2.401 1.00 0.00 C ATOM 452 CD1 LEU A 531 -2.735 -6.686 -1.251 1.00 0.00 C ATOM 453 CD2 LEU A 531 -1.438 -7.679 -3.139 1.00 0.00 C ATOM 0 H LEU A 531 -5.129 -9.610 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 531 -2.259 -10.097 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -4.061 -9.051 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.354 -9.365 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 531 -3.552 -7.378 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -2.500 -5.693 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -3.708 -6.664 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -1.973 -6.987 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.221 -6.672 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -0.647 -8.002 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.492 -8.361 -3.987 1.00 0.00 H new ATOM 465 N ASN A 532 -4.216 -12.315 -2.522 1.00 0.00 N ATOM 466 CA ASN A 532 -4.269 -13.706 -2.094 1.00 0.00 C ATOM 467 C ASN A 532 -3.600 -14.620 -3.117 1.00 0.00 C ATOM 468 O ASN A 532 -3.459 -15.818 -2.891 1.00 0.00 O ATOM 469 CB ASN A 532 -5.723 -14.129 -1.865 1.00 0.00 C ATOM 470 CG ASN A 532 -6.237 -13.717 -0.503 1.00 0.00 C ATOM 471 OD1 ASN A 532 -5.723 -12.613 0.006 1.00 0.00 O flip ATOM 472 ND2 ASN A 532 -7.093 -14.380 0.083 1.00 0.00 N flip ATOM 0 H ASN A 532 -5.057 -11.992 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.722 -13.798 -1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.353 -13.687 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.804 -15.211 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -7.464 -15.228 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -7.431 -14.082 0.998 1.00 0.00 H new ATOM 479 N ARG A 533 -3.201 -14.053 -4.249 1.00 0.00 N ATOM 480 CA ARG A 533 -2.477 -14.813 -5.260 1.00 0.00 C ATOM 481 C ARG A 533 -0.982 -14.824 -4.957 1.00 0.00 C ATOM 482 O ARG A 533 -0.401 -13.794 -4.610 1.00 0.00 O ATOM 483 CB ARG A 533 -2.715 -14.237 -6.658 1.00 0.00 C ATOM 484 CG ARG A 533 -4.150 -14.367 -7.140 1.00 0.00 C ATOM 485 CD ARG A 533 -4.323 -13.793 -8.536 1.00 0.00 C ATOM 486 NE ARG A 533 -3.603 -14.573 -9.542 1.00 0.00 N ATOM 487 CZ ARG A 533 -3.213 -14.098 -10.722 1.00 0.00 C ATOM 488 NH1 ARG A 533 -3.530 -12.858 -11.079 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -2.534 -14.879 -11.558 1.00 0.00 N ATOM 0 H ARG A 533 -3.365 -13.075 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.853 -15.836 -5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -2.436 -13.183 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -2.057 -14.742 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -4.442 -15.417 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -4.815 -13.851 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -5.383 -13.766 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -3.966 -12.763 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 533 -3.385 -15.546 -9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -4.073 -12.269 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -3.230 -12.495 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -2.314 -15.839 -11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -2.234 -14.518 -12.463 1.00 0.00 H new ATOM 503 N GLU A 534 -0.372 -15.993 -5.080 1.00 0.00 N ATOM 504 CA GLU A 534 1.061 -16.134 -4.868 1.00 0.00 C ATOM 505 C GLU A 534 1.841 -15.656 -6.085 1.00 0.00 C ATOM 506 O GLU A 534 1.481 -15.957 -7.227 1.00 0.00 O ATOM 507 CB GLU A 534 1.405 -17.588 -4.566 1.00 0.00 C ATOM 508 CG GLU A 534 1.093 -18.009 -3.141 1.00 0.00 C ATOM 509 CD GLU A 534 2.036 -17.383 -2.129 1.00 0.00 C ATOM 510 OE1 GLU A 534 3.092 -17.981 -1.851 1.00 0.00 O1- ATOM 511 OE2 GLU A 534 1.719 -16.297 -1.605 1.00 0.00 O ATOM 0 H GLU A 534 -0.849 -16.861 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 534 1.342 -15.515 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 534 0.856 -18.232 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 534 2.466 -17.748 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 534 0.068 -17.729 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 534 1.153 -19.095 -3.065 1.00 0.00 H new ATOM 518 N GLY A 535 2.911 -14.922 -5.832 1.00 0.00 N ATOM 519 CA GLY A 535 3.718 -14.387 -6.906 1.00 0.00 C ATOM 520 C GLY A 535 4.646 -13.292 -6.428 1.00 0.00 C ATOM 521 O GLY A 535 5.521 -13.535 -5.598 1.00 0.00 O ATOM 0 H GLY A 535 3.237 -14.686 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.305 -15.190 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 535 3.067 -13.995 -7.687 1.00 0.00 H new ATOM 525 N VAL A 536 4.458 -12.087 -6.947 1.00 0.00 N ATOM 526 CA VAL A 536 5.297 -10.958 -6.593 1.00 0.00 C ATOM 527 C VAL A 536 4.486 -9.662 -6.589 1.00 0.00 C ATOM 528 O VAL A 536 3.846 -9.321 -7.583 1.00 0.00 O ATOM 529 CB VAL A 536 6.479 -10.842 -7.588 1.00 0.00 C ATOM 530 CG1 VAL A 536 6.043 -11.189 -9.006 1.00 0.00 C ATOM 531 CG2 VAL A 536 7.055 -9.457 -7.564 1.00 0.00 C ATOM 0 H VAL A 536 3.724 -11.868 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 536 5.690 -11.122 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 536 7.242 -11.554 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 536 6.894 -11.098 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 536 5.667 -12.212 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 536 5.255 -10.505 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.884 -9.395 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 536 6.285 -8.738 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 536 7.415 -9.230 -6.560 1.00 0.00 H new ATOM 541 N TYR A 537 4.533 -8.946 -5.465 1.00 0.00 N ATOM 542 CA TYR A 537 3.857 -7.653 -5.319 1.00 0.00 C ATOM 543 C TYR A 537 4.559 -6.824 -4.246 1.00 0.00 C ATOM 544 O TYR A 537 4.927 -7.355 -3.198 1.00 0.00 O ATOM 545 CB TYR A 537 2.381 -7.824 -4.899 1.00 0.00 C ATOM 546 CG TYR A 537 1.504 -8.566 -5.885 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.080 -7.959 -7.061 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.089 -9.871 -5.635 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.270 -8.628 -7.960 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.279 -10.547 -6.529 1.00 0.00 C ATOM 551 CZ TYR A 537 -0.127 -9.922 -7.689 1.00 0.00 C ATOM 552 OH TYR A 537 -0.933 -10.592 -8.585 1.00 0.00 O ATOM 0 H TYR A 537 5.039 -9.244 -4.631 1.00 0.00 H new ATOM 0 HA TYR A 537 3.896 -7.155 -6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.352 -8.351 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 537 1.953 -6.836 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.389 -6.947 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.405 -10.364 -4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 537 -0.050 -8.141 -8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 537 -0.034 -11.559 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 537 -1.121 -11.492 -8.246 1.00 0.00 H new ATOM 562 N THR A 538 4.754 -5.542 -4.499 1.00 0.00 N ATOM 563 CA THR A 538 5.235 -4.637 -3.455 1.00 0.00 C ATOM 564 C THR A 538 4.107 -3.723 -2.998 1.00 0.00 C ATOM 565 O THR A 538 3.761 -2.764 -3.682 1.00 0.00 O ATOM 566 CB THR A 538 6.426 -3.785 -3.927 1.00 0.00 C ATOM 567 OG1 THR A 538 7.512 -4.639 -4.282 1.00 0.00 O ATOM 568 CG2 THR A 538 6.881 -2.815 -2.846 1.00 0.00 C ATOM 0 H THR A 538 4.591 -5.102 -5.405 1.00 0.00 H new ATOM 0 HA THR A 538 5.576 -5.255 -2.624 1.00 0.00 H new ATOM 0 HB THR A 538 6.104 -3.205 -4.792 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.547 -4.735 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.724 -2.230 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.060 -2.146 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.186 -3.373 -1.961 1.00 0.00 H new ATOM 576 N VAL A 539 3.527 -4.028 -1.851 1.00 0.00 N ATOM 577 CA VAL A 539 2.382 -3.293 -1.372 1.00 0.00 C ATOM 578 C VAL A 539 2.786 -2.265 -0.327 1.00 0.00 C ATOM 579 O VAL A 539 3.263 -2.612 0.758 1.00 0.00 O ATOM 580 CB VAL A 539 1.339 -4.243 -0.764 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.125 -3.471 -0.292 1.00 0.00 C ATOM 582 CG2 VAL A 539 0.945 -5.313 -1.766 1.00 0.00 C ATOM 0 H VAL A 539 3.835 -4.782 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 539 1.948 -2.778 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 539 1.784 -4.735 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.602 -4.162 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.426 -2.747 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.324 -2.948 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.206 -5.977 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.520 -4.842 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 539 1.826 -5.889 -2.048 1.00 0.00 H new ATOM 592 N PHE A 540 2.608 -0.999 -0.661 1.00 0.00 N ATOM 593 CA PHE A 540 2.789 0.057 0.304 1.00 0.00 C ATOM 594 C PHE A 540 1.490 0.246 1.073 1.00 0.00 C ATOM 595 O PHE A 540 0.500 0.735 0.535 1.00 0.00 O ATOM 596 CB PHE A 540 3.245 1.338 -0.390 1.00 0.00 C ATOM 597 CG PHE A 540 4.709 1.315 -0.728 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.649 1.682 0.216 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.146 0.926 -1.984 1.00 0.00 C ATOM 600 CE1 PHE A 540 7.000 1.666 -0.084 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.495 0.907 -2.290 1.00 0.00 C ATOM 602 CZ PHE A 540 7.422 1.279 -1.339 1.00 0.00 C ATOM 0 H PHE A 540 2.339 -0.683 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 540 3.571 -0.209 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.666 1.480 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 540 3.037 2.192 0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.325 1.985 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.425 0.634 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.723 1.956 0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.822 0.601 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.476 1.267 -1.576 1.00 0.00 H new ATOM 612 N ALA A 541 1.504 -0.167 2.330 1.00 0.00 N ATOM 613 CA ALA A 541 0.278 -0.302 3.109 1.00 0.00 C ATOM 614 C ALA A 541 0.065 0.873 4.044 1.00 0.00 C ATOM 615 O ALA A 541 0.889 1.130 4.925 1.00 0.00 O ATOM 616 CB ALA A 541 0.301 -1.589 3.912 1.00 0.00 C ATOM 0 H ALA A 541 2.353 -0.416 2.837 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.550 -0.324 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.620 -1.675 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.387 -2.439 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.154 -1.579 4.591 1.00 0.00 H new ATOM 622 N PRO A 542 -1.045 1.598 3.865 1.00 0.00 N ATOM 623 CA PRO A 542 -1.388 2.725 4.716 1.00 0.00 C ATOM 624 C PRO A 542 -2.077 2.291 6.009 1.00 0.00 C ATOM 625 O PRO A 542 -2.901 1.375 6.013 1.00 0.00 O ATOM 626 CB PRO A 542 -2.333 3.535 3.828 1.00 0.00 C ATOM 627 CG PRO A 542 -3.022 2.516 2.983 1.00 0.00 C ATOM 628 CD PRO A 542 -2.049 1.378 2.807 1.00 0.00 C ATOM 0 HA PRO A 542 -0.513 3.281 5.052 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.047 4.104 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -1.785 4.252 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.939 2.172 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -3.304 2.938 2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.541 0.412 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.594 1.392 1.816 1.00 0.00 H new ATOM 636 N THR A 543 -1.725 2.945 7.105 1.00 0.00 N ATOM 637 CA THR A 543 -2.293 2.623 8.404 1.00 0.00 C ATOM 638 C THR A 543 -3.690 3.218 8.568 1.00 0.00 C ATOM 639 O THR A 543 -4.238 3.824 7.641 1.00 0.00 O ATOM 640 CB THR A 543 -1.384 3.129 9.537 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.195 4.547 9.426 1.00 0.00 O ATOM 642 CG2 THR A 543 -0.033 2.441 9.482 1.00 0.00 C ATOM 0 H THR A 543 -1.045 3.705 7.120 1.00 0.00 H new ATOM 0 HA THR A 543 -2.370 1.537 8.461 1.00 0.00 H new ATOM 0 HB THR A 543 -1.866 2.899 10.487 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.716 4.876 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.597 2.811 10.291 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.168 1.365 9.591 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.444 2.652 8.525 1.00 0.00 H new ATOM 650 N ASN A 544 -4.267 3.053 9.755 1.00 0.00 N ATOM 651 CA ASN A 544 -5.604 3.569 10.033 1.00 0.00 C ATOM 652 C ASN A 544 -5.587 5.088 10.074 1.00 0.00 C ATOM 653 O ASN A 544 -6.542 5.739 9.654 1.00 0.00 O ATOM 654 CB ASN A 544 -6.153 3.021 11.355 1.00 0.00 C ATOM 655 CG ASN A 544 -6.337 1.514 11.342 1.00 0.00 C ATOM 656 OD1 ASN A 544 -6.543 0.950 10.161 1.00 0.00 O flip ATOM 657 ND2 ASN A 544 -6.289 0.861 12.384 1.00 0.00 N flip ATOM 0 H ASN A 544 -3.831 2.567 10.538 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.259 3.237 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.474 3.292 12.164 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -7.110 3.496 11.569 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.128 1.332 13.274 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -6.410 -0.151 12.357 1.00 0.00 H new ATOM 664 N GLU A 545 -4.490 5.640 10.577 1.00 0.00 N ATOM 665 CA GLU A 545 -4.303 7.087 10.641 1.00 0.00 C ATOM 666 C GLU A 545 -4.314 7.678 9.237 1.00 0.00 C ATOM 667 O GLU A 545 -4.727 8.818 9.029 1.00 0.00 O ATOM 668 CB GLU A 545 -2.975 7.444 11.329 1.00 0.00 C ATOM 669 CG GLU A 545 -2.674 6.640 12.588 1.00 0.00 C ATOM 670 CD GLU A 545 -2.100 5.273 12.274 1.00 0.00 C ATOM 671 OE1 GLU A 545 -0.879 5.184 12.029 1.00 0.00 O ATOM 672 OE2 GLU A 545 -2.873 4.295 12.234 1.00 0.00 O1- ATOM 0 H GLU A 545 -3.708 5.102 10.951 1.00 0.00 H new ATOM 0 HA GLU A 545 -5.124 7.505 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -2.162 7.298 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -2.987 8.503 11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -1.970 7.193 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.589 6.523 13.169 1.00 0.00 H new ATOM 679 N ALA A 546 -3.870 6.878 8.275 1.00 0.00 N ATOM 680 CA ALA A 546 -3.824 7.299 6.884 1.00 0.00 C ATOM 681 C ALA A 546 -5.213 7.423 6.299 1.00 0.00 C ATOM 682 O ALA A 546 -5.475 8.295 5.471 1.00 0.00 O ATOM 683 CB ALA A 546 -3.003 6.318 6.072 1.00 0.00 C ATOM 0 H ALA A 546 -3.535 5.928 8.437 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.355 8.282 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -2.974 6.641 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -1.988 6.278 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.455 5.328 6.132 1.00 0.00 H new ATOM 689 N PHE A 547 -6.103 6.556 6.738 1.00 0.00 N ATOM 690 CA PHE A 547 -7.485 6.603 6.300 1.00 0.00 C ATOM 691 C PHE A 547 -8.171 7.818 6.905 1.00 0.00 C ATOM 692 O PHE A 547 -9.238 8.239 6.456 1.00 0.00 O ATOM 693 CB PHE A 547 -8.206 5.306 6.662 1.00 0.00 C ATOM 694 CG PHE A 547 -7.520 4.096 6.098 1.00 0.00 C ATOM 695 CD1 PHE A 547 -7.075 4.092 4.782 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.298 2.974 6.883 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.429 2.990 4.262 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.650 1.872 6.366 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.215 1.881 5.054 1.00 0.00 C ATOM 0 H PHE A 547 -5.894 5.808 7.399 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.519 6.699 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.264 5.216 7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.230 5.346 6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -7.236 4.960 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.636 2.963 7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -6.091 2.995 3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.483 1.003 6.985 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.707 1.019 4.648 1.00 0.00 H new ATOM 709 N ARG A 548 -7.533 8.381 7.926 1.00 0.00 N ATOM 710 CA ARG A 548 -8.072 9.544 8.617 1.00 0.00 C ATOM 711 C ARG A 548 -7.542 10.825 7.978 1.00 0.00 C ATOM 712 O ARG A 548 -8.017 11.928 8.261 1.00 0.00 O ATOM 713 CB ARG A 548 -7.695 9.495 10.100 1.00 0.00 C ATOM 714 CG ARG A 548 -8.282 10.628 10.923 1.00 0.00 C ATOM 715 CD ARG A 548 -7.866 10.528 12.380 1.00 0.00 C ATOM 716 NE ARG A 548 -8.314 9.282 12.998 1.00 0.00 N ATOM 717 CZ ARG A 548 -7.846 8.816 14.155 1.00 0.00 C ATOM 718 NH1 ARG A 548 -6.931 9.502 14.829 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -8.312 7.676 14.644 1.00 0.00 N ATOM 0 H ARG A 548 -6.641 8.049 8.293 1.00 0.00 H new ATOM 0 HA ARG A 548 -9.159 9.534 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -8.028 8.545 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.609 9.519 10.189 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -7.955 11.584 10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -9.369 10.606 10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -6.781 10.597 12.452 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -8.277 11.373 12.932 1.00 0.00 H new ATOM 0 HE ARG A 548 -9.028 8.736 12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -6.585 10.388 14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -6.574 9.143 15.715 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -9.027 7.157 14.135 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -7.955 7.317 15.530 1.00 0.00 H new ATOM 733 N ALA A 549 -6.553 10.668 7.105 1.00 0.00 N ATOM 734 CA ALA A 549 -5.893 11.803 6.474 1.00 0.00 C ATOM 735 C ALA A 549 -6.612 12.224 5.197 1.00 0.00 C ATOM 736 O ALA A 549 -6.221 13.188 4.541 1.00 0.00 O ATOM 737 CB ALA A 549 -4.436 11.462 6.178 1.00 0.00 C ATOM 0 H ALA A 549 -6.190 9.759 6.817 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.928 12.644 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.951 12.317 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.922 11.221 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -4.392 10.604 5.507 1.00 0.00 H new ATOM 743 N LEU A 550 -7.661 11.495 4.845 1.00 0.00 N ATOM 744 CA LEU A 550 -8.427 11.787 3.642 1.00 0.00 C ATOM 745 C LEU A 550 -9.806 12.338 3.987 1.00 0.00 C ATOM 746 O LEU A 550 -10.414 11.933 4.980 1.00 0.00 O ATOM 747 CB LEU A 550 -8.569 10.522 2.792 1.00 0.00 C ATOM 748 CG LEU A 550 -7.271 10.023 2.159 1.00 0.00 C ATOM 749 CD1 LEU A 550 -7.533 8.791 1.314 1.00 0.00 C ATOM 750 CD2 LEU A 550 -6.626 11.117 1.320 1.00 0.00 C ATOM 0 H LEU A 550 -8.002 10.694 5.377 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.889 12.547 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -8.981 9.728 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -9.292 10.714 1.999 1.00 0.00 H new ATOM 0 HG LEU A 550 -6.581 9.754 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -6.598 8.449 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -7.948 8.002 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -8.242 9.036 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -5.703 10.741 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -7.311 11.419 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -6.402 11.976 1.952 1.00 0.00 H new ATOM 762 N PRO A 551 -10.311 13.285 3.177 1.00 0.00 N ATOM 763 CA PRO A 551 -11.672 13.800 3.323 1.00 0.00 C ATOM 764 C PRO A 551 -12.704 12.698 3.100 1.00 0.00 C ATOM 765 O PRO A 551 -12.675 12.014 2.074 1.00 0.00 O ATOM 766 CB PRO A 551 -11.788 14.869 2.226 1.00 0.00 C ATOM 767 CG PRO A 551 -10.383 15.192 1.843 1.00 0.00 C ATOM 768 CD PRO A 551 -9.594 13.933 2.068 1.00 0.00 C ATOM 0 HA PRO A 551 -11.858 14.194 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -12.353 14.496 1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -12.309 15.753 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -10.325 15.508 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.992 16.011 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -9.575 13.304 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -8.558 14.148 2.329 1.00 0.00 H new ATOM 776 N PRO A 552 -13.622 12.508 4.059 1.00 0.00 N ATOM 777 CA PRO A 552 -14.623 11.439 4.002 1.00 0.00 C ATOM 778 C PRO A 552 -15.496 11.488 2.749 1.00 0.00 C ATOM 779 O PRO A 552 -16.036 10.467 2.334 1.00 0.00 O ATOM 780 CB PRO A 552 -15.474 11.639 5.260 1.00 0.00 C ATOM 781 CG PRO A 552 -15.121 12.993 5.782 1.00 0.00 C ATOM 782 CD PRO A 552 -13.737 13.304 5.289 1.00 0.00 C ATOM 0 HA PRO A 552 -14.138 10.464 3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -16.537 11.575 5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -15.263 10.868 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -15.833 13.740 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -15.155 13.008 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -13.612 14.369 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.979 13.024 6.020 1.00 0.00 H new ATOM 790 N ARG A 553 -15.637 12.665 2.141 1.00 0.00 N ATOM 791 CA ARG A 553 -16.403 12.784 0.901 1.00 0.00 C ATOM 792 C ARG A 553 -15.685 12.077 -0.251 1.00 0.00 C ATOM 793 O ARG A 553 -16.316 11.403 -1.066 1.00 0.00 O ATOM 794 CB ARG A 553 -16.658 14.253 0.551 1.00 0.00 C ATOM 795 CG ARG A 553 -15.391 15.070 0.375 1.00 0.00 C ATOM 796 CD ARG A 553 -15.697 16.471 -0.113 1.00 0.00 C ATOM 797 NE ARG A 553 -14.484 17.236 -0.386 1.00 0.00 N ATOM 798 CZ ARG A 553 -14.431 18.563 -0.355 1.00 0.00 C ATOM 799 NH1 ARG A 553 -15.529 19.261 -0.084 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -13.298 19.195 -0.629 1.00 0.00 N ATOM 0 H ARG A 553 -15.237 13.539 2.481 1.00 0.00 H new ATOM 0 HA ARG A 553 -17.367 12.299 1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -17.241 14.302 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -17.264 14.704 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -14.856 15.123 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -14.731 14.572 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -16.301 16.415 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.293 16.993 0.636 1.00 0.00 H new ATOM 0 HE ARG A 553 -13.631 16.724 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -16.408 18.778 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -15.492 20.280 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -12.461 18.662 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -13.263 20.214 -0.604 1.00 0.00 H new ATOM 814 N GLU A 554 -14.364 12.226 -0.308 1.00 0.00 N ATOM 815 CA GLU A 554 -13.550 11.531 -1.301 1.00 0.00 C ATOM 816 C GLU A 554 -13.541 10.043 -1.000 1.00 0.00 C ATOM 817 O GLU A 554 -13.588 9.202 -1.897 1.00 0.00 O ATOM 818 CB GLU A 554 -12.111 12.077 -1.296 1.00 0.00 C ATOM 819 CG GLU A 554 -11.902 13.296 -2.187 1.00 0.00 C ATOM 820 CD GLU A 554 -12.876 14.422 -1.904 1.00 0.00 C ATOM 821 OE1 GLU A 554 -12.580 15.280 -1.046 1.00 0.00 O1- ATOM 822 OE2 GLU A 554 -13.951 14.444 -2.540 1.00 0.00 O ATOM 0 H GLU A 554 -13.833 12.824 0.325 1.00 0.00 H new ATOM 0 HA GLU A 554 -13.979 11.698 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.837 12.337 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -11.433 11.286 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -10.884 13.664 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -11.999 12.995 -3.230 1.00 0.00 H new ATOM 829 N TRP A 555 -13.502 9.739 0.282 1.00 0.00 N ATOM 830 CA TRP A 555 -13.444 8.370 0.756 1.00 0.00 C ATOM 831 C TRP A 555 -14.748 7.638 0.523 1.00 0.00 C ATOM 832 O TRP A 555 -14.761 6.445 0.213 1.00 0.00 O ATOM 833 CB TRP A 555 -13.122 8.375 2.230 1.00 0.00 C ATOM 834 CG TRP A 555 -11.887 7.617 2.522 1.00 0.00 C ATOM 835 CD1 TRP A 555 -10.626 7.943 2.136 1.00 0.00 C ATOM 836 CD2 TRP A 555 -11.787 6.388 3.227 1.00 0.00 C ATOM 837 NE1 TRP A 555 -9.749 6.985 2.567 1.00 0.00 N ATOM 838 CE2 TRP A 555 -10.431 6.036 3.234 1.00 0.00 C ATOM 839 CE3 TRP A 555 -12.703 5.551 3.864 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -9.965 4.899 3.830 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -12.228 4.407 4.466 1.00 0.00 C ATOM 842 CH2 TRP A 555 -10.863 4.101 4.442 1.00 0.00 C ATOM 0 H TRP A 555 -13.510 10.436 1.027 1.00 0.00 H new ATOM 0 HA TRP A 555 -12.668 7.847 0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -13.008 9.403 2.574 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -13.954 7.943 2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -10.356 8.825 1.574 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -8.741 6.990 2.408 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -13.755 5.793 3.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -8.915 4.648 3.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -12.917 3.739 4.962 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -10.519 3.200 4.928 1.00 0.00 H new ATOM 853 N SER A 556 -15.839 8.356 0.711 1.00 0.00 N ATOM 854 CA SER A 556 -17.173 7.826 0.442 1.00 0.00 C ATOM 855 C SER A 556 -17.267 7.311 -0.995 1.00 0.00 C ATOM 856 O SER A 556 -18.035 6.399 -1.287 1.00 0.00 O ATOM 857 CB SER A 556 -18.238 8.901 0.687 1.00 0.00 C ATOM 858 OG SER A 556 -19.548 8.366 0.571 1.00 0.00 O ATOM 0 H SER A 556 -15.832 9.317 1.052 1.00 0.00 H new ATOM 0 HA SER A 556 -17.353 6.994 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 556 -18.104 9.328 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 556 -18.110 9.713 -0.029 1.00 0.00 H new ATOM 0 HG SER A 556 -20.206 9.074 0.734 1.00 0.00 H new ATOM 864 N ARG A 557 -16.472 7.896 -1.885 1.00 0.00 N ATOM 865 CA ARG A 557 -16.435 7.459 -3.272 1.00 0.00 C ATOM 866 C ARG A 557 -15.655 6.151 -3.409 1.00 0.00 C ATOM 867 O ARG A 557 -15.980 5.317 -4.249 1.00 0.00 O ATOM 868 CB ARG A 557 -15.832 8.554 -4.163 1.00 0.00 C ATOM 869 CG ARG A 557 -15.534 8.101 -5.586 1.00 0.00 C ATOM 870 CD ARG A 557 -15.234 9.274 -6.505 1.00 0.00 C ATOM 871 NE ARG A 557 -14.294 10.224 -5.912 1.00 0.00 N ATOM 872 CZ ARG A 557 -13.061 10.447 -6.366 1.00 0.00 C ATOM 873 NH1 ARG A 557 -12.547 9.697 -7.338 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -12.336 11.416 -5.825 1.00 0.00 N ATOM 0 H ARG A 557 -15.847 8.672 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 557 -17.457 7.275 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -16.520 9.399 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -14.910 8.913 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -14.684 7.419 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -16.386 7.544 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -14.824 8.901 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -16.164 9.790 -6.746 1.00 0.00 H new ATOM 0 HE ARG A 557 -14.603 10.752 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -13.098 8.941 -7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -11.602 9.878 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -12.723 11.982 -5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -11.391 11.596 -6.164 1.00 0.00 H new ATOM 888 N LEU A 558 -14.648 5.958 -2.561 1.00 0.00 N ATOM 889 CA LEU A 558 -13.825 4.752 -2.622 1.00 0.00 C ATOM 890 C LEU A 558 -14.555 3.579 -1.976 1.00 0.00 C ATOM 891 O LEU A 558 -14.720 2.527 -2.581 1.00 0.00 O ATOM 892 CB LEU A 558 -12.480 4.975 -1.923 1.00 0.00 C ATOM 893 CG LEU A 558 -11.860 6.356 -2.132 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.580 6.488 -1.325 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.587 6.598 -3.607 1.00 0.00 C ATOM 0 H LEU A 558 -14.383 6.616 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.638 4.522 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.613 4.812 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.776 4.221 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.567 7.110 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.150 7.477 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.802 6.355 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.868 5.727 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -11.146 7.586 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.897 5.840 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.522 6.542 -4.164 1.00 0.00 H new ATOM 907 N LEU A 559 -14.993 3.771 -0.737 1.00 0.00 N ATOM 908 CA LEU A 559 -15.747 2.759 -0.017 1.00 0.00 C ATOM 909 C LEU A 559 -17.147 2.595 -0.598 1.00 0.00 C ATOM 910 O LEU A 559 -17.853 1.634 -0.288 1.00 0.00 O ATOM 911 CB LEU A 559 -15.833 3.159 1.451 1.00 0.00 C ATOM 912 CG LEU A 559 -14.650 2.749 2.332 1.00 0.00 C ATOM 913 CD1 LEU A 559 -14.833 1.331 2.848 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.331 2.859 1.587 1.00 0.00 C ATOM 0 H LEU A 559 -14.835 4.629 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.235 1.802 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.942 4.242 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.740 2.726 1.872 1.00 0.00 H new ATOM 0 HG LEU A 559 -14.621 3.438 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -13.982 1.058 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -15.748 1.274 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -14.900 0.643 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.515 2.560 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.351 2.207 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -13.179 3.890 1.267 1.00 0.00 H new ATOM 926 N GLY A 560 -17.552 3.551 -1.419 1.00 0.00 N ATOM 927 CA GLY A 560 -18.842 3.477 -2.070 1.00 0.00 C ATOM 928 C GLY A 560 -18.747 2.781 -3.406 1.00 0.00 C ATOM 929 O GLY A 560 -19.525 1.869 -3.696 1.00 0.00 O ATOM 0 H GLY A 560 -17.006 4.382 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.544 2.943 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -19.239 4.483 -2.210 1.00 0.00 H new ATOM 933 N ASP A 561 -17.787 3.203 -4.215 1.00 0.00 N ATOM 934 CA ASP A 561 -17.559 2.597 -5.516 1.00 0.00 C ATOM 935 C ASP A 561 -16.315 1.716 -5.472 1.00 0.00 C ATOM 936 O ASP A 561 -15.198 2.202 -5.303 1.00 0.00 O ATOM 937 CB ASP A 561 -17.409 3.677 -6.588 1.00 0.00 C ATOM 938 CG ASP A 561 -17.379 3.105 -7.988 1.00 0.00 C ATOM 939 OD1 ASP A 561 -18.461 2.967 -8.592 1.00 0.00 O ATOM 940 OD2 ASP A 561 -16.280 2.801 -8.491 1.00 0.00 O1- ATOM 0 H ASP A 561 -17.150 3.968 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.419 1.977 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -18.235 4.383 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -16.491 4.237 -6.408 1.00 0.00 H new ATOM 945 N ALA A 562 -16.522 0.419 -5.640 1.00 0.00 N ATOM 946 CA ALA A 562 -15.453 -0.562 -5.485 1.00 0.00 C ATOM 947 C ALA A 562 -14.422 -0.427 -6.585 1.00 0.00 C ATOM 948 O ALA A 562 -13.232 -0.661 -6.369 1.00 0.00 O ATOM 949 CB ALA A 562 -16.029 -1.966 -5.472 1.00 0.00 C ATOM 0 H ALA A 562 -17.427 0.017 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 562 -14.956 -0.373 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -15.222 -2.689 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.727 -2.065 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.552 -2.153 -6.410 1.00 0.00 H new ATOM 955 N LYS A 563 -14.886 -0.044 -7.760 1.00 0.00 N ATOM 956 CA LYS A 563 -14.010 0.193 -8.881 1.00 0.00 C ATOM 957 C LYS A 563 -13.063 1.334 -8.536 1.00 0.00 C ATOM 958 O LYS A 563 -11.881 1.296 -8.871 1.00 0.00 O ATOM 959 CB LYS A 563 -14.855 0.524 -10.117 1.00 0.00 C ATOM 960 CG LYS A 563 -14.151 0.295 -11.444 1.00 0.00 C ATOM 961 CD LYS A 563 -13.152 1.396 -11.771 1.00 0.00 C ATOM 962 CE LYS A 563 -12.469 1.149 -13.105 1.00 0.00 C ATOM 963 NZ LYS A 563 -11.461 2.197 -13.414 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.875 0.109 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.416 -0.694 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -15.762 -0.080 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -15.165 1.567 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -13.634 -0.664 -11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -14.893 0.234 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -13.664 2.358 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.402 1.454 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -11.985 0.173 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -13.218 1.121 -13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -10.879 1.892 -14.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.946 3.085 -13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -10.852 2.348 -12.585 1.00 0.00 H new ATOM 977 N GLU A 564 -13.588 2.322 -7.821 1.00 0.00 N ATOM 978 CA GLU A 564 -12.809 3.492 -7.445 1.00 0.00 C ATOM 979 C GLU A 564 -11.741 3.129 -6.416 1.00 0.00 C ATOM 980 O GLU A 564 -10.585 3.536 -6.534 1.00 0.00 O ATOM 981 CB GLU A 564 -13.719 4.588 -6.892 1.00 0.00 C ATOM 982 CG GLU A 564 -13.015 5.920 -6.716 1.00 0.00 C ATOM 983 CD GLU A 564 -12.551 6.508 -8.032 1.00 0.00 C ATOM 984 OE1 GLU A 564 -11.474 6.109 -8.525 1.00 0.00 O ATOM 985 OE2 GLU A 564 -13.262 7.371 -8.581 1.00 0.00 O1- ATOM 0 H GLU A 564 -14.553 2.335 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 564 -12.312 3.866 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -14.568 4.719 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -14.120 4.267 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -13.689 6.622 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -12.157 5.790 -6.057 1.00 0.00 H new ATOM 992 N LEU A 565 -12.126 2.347 -5.415 1.00 0.00 N ATOM 993 CA LEU A 565 -11.188 1.903 -4.403 1.00 0.00 C ATOM 994 C LEU A 565 -10.104 1.058 -5.053 1.00 0.00 C ATOM 995 O LEU A 565 -8.917 1.188 -4.739 1.00 0.00 O ATOM 996 CB LEU A 565 -11.907 1.092 -3.325 1.00 0.00 C ATOM 997 CG LEU A 565 -11.709 1.596 -1.897 1.00 0.00 C ATOM 998 CD1 LEU A 565 -12.268 0.594 -0.905 1.00 0.00 C ATOM 999 CD2 LEU A 565 -10.243 1.872 -1.629 1.00 0.00 C ATOM 0 H LEU A 565 -13.080 2.010 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 565 -10.735 2.776 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -12.974 1.086 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -11.564 0.059 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 565 -12.253 2.533 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -12.121 0.965 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -13.333 0.455 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -11.752 -0.359 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -10.121 2.230 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -9.670 0.955 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -9.882 2.630 -2.324 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.532 0.199 -5.969 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.620 -0.640 -6.724 1.00 0.00 C ATOM 1013 C ALA A 566 -8.598 0.197 -7.488 1.00 0.00 C ATOM 1014 O ALA A 566 -7.435 -0.185 -7.587 1.00 0.00 O ATOM 1015 CB ALA A 566 -10.398 -1.519 -7.685 1.00 0.00 C ATOM 0 H ALA A 566 -11.515 0.067 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 566 -9.078 -1.269 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.705 -2.145 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -11.086 -2.152 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.963 -0.892 -8.375 1.00 0.00 H new ATOM 1021 N ASN A 567 -9.037 1.333 -8.025 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.150 2.240 -8.760 1.00 0.00 C ATOM 1023 C ASN A 567 -6.975 2.676 -7.896 1.00 0.00 C ATOM 1024 O ASN A 567 -5.816 2.486 -8.263 1.00 0.00 O ATOM 1025 CB ASN A 567 -8.900 3.495 -9.228 1.00 0.00 C ATOM 1026 CG ASN A 567 -9.963 3.225 -10.273 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -9.829 2.330 -11.113 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -11.036 3.998 -10.228 1.00 0.00 N ATOM 0 H ASN A 567 -10.004 1.651 -7.966 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.785 1.689 -9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -9.366 3.970 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -8.180 4.206 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -11.789 3.865 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -11.110 4.727 -9.519 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.286 3.263 -6.748 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.271 3.819 -5.861 1.00 0.00 C ATOM 1037 C ILE A 568 -5.401 2.725 -5.253 1.00 0.00 C ATOM 1038 O ILE A 568 -4.177 2.808 -5.316 1.00 0.00 O ATOM 1039 CB ILE A 568 -6.905 4.679 -4.742 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.579 5.911 -5.354 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -5.863 5.091 -3.704 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -8.175 6.856 -4.332 1.00 0.00 C ATOM 0 H ILE A 568 -8.241 3.367 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.637 4.463 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.658 4.080 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.847 6.454 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.366 5.583 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -6.339 5.694 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.427 4.200 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -5.079 5.673 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.633 7.703 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -8.932 6.331 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.390 7.215 -3.667 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.030 1.695 -4.685 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.283 0.602 -4.060 1.00 0.00 C ATOM 1056 C LEU A 569 -4.358 -0.105 -5.052 1.00 0.00 C ATOM 1057 O LEU A 569 -3.364 -0.715 -4.657 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.240 -0.398 -3.412 1.00 0.00 C ATOM 1059 CG LEU A 569 -7.009 0.144 -2.207 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -7.943 -0.918 -1.654 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -6.041 0.628 -1.134 1.00 0.00 C ATOM 0 H LEU A 569 -7.044 1.594 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 569 -4.652 1.041 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -6.956 -0.734 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -5.672 -1.274 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 569 -7.612 0.993 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -8.483 -0.517 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -8.654 -1.214 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -7.363 -1.787 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -6.603 1.011 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -5.412 -0.202 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -5.414 1.421 -1.541 1.00 0.00 H new ATOM 1073 N LYS A 570 -4.666 -0.010 -6.341 1.00 0.00 N ATOM 1074 CA LYS A 570 -3.798 -0.587 -7.363 1.00 0.00 C ATOM 1075 C LYS A 570 -2.493 0.195 -7.506 1.00 0.00 C ATOM 1076 O LYS A 570 -1.517 -0.309 -8.051 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.520 -0.665 -8.710 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.231 -1.989 -8.932 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.029 -1.991 -10.225 1.00 0.00 C ATOM 1080 CE LYS A 570 -6.451 -3.401 -10.611 1.00 0.00 C ATOM 1081 NZ LYS A 570 -7.206 -4.091 -9.526 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.500 0.455 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.547 -1.597 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.246 0.145 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -3.798 -0.509 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -4.498 -2.796 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -5.898 -2.189 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.913 -1.363 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -5.430 -1.556 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -7.069 -3.359 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -5.566 -3.986 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -7.628 -4.965 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -6.558 -4.324 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -7.959 -3.465 -9.175 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.469 1.420 -7.014 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.256 2.227 -7.058 1.00 0.00 C ATOM 1097 C TYR A 571 -0.459 2.050 -5.768 1.00 0.00 C ATOM 1098 O TYR A 571 0.625 2.596 -5.608 1.00 0.00 O ATOM 1099 CB TYR A 571 -1.604 3.699 -7.322 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.425 4.657 -7.286 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.679 4.462 -8.108 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.424 5.759 -6.440 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.751 5.334 -8.084 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.644 6.637 -6.411 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.731 6.421 -7.234 1.00 0.00 C ATOM 1106 OH TYR A 571 2.795 7.293 -7.210 1.00 0.00 O ATOM 0 H TYR A 571 -3.270 1.879 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 571 -0.627 1.888 -7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.083 3.773 -8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.337 4.021 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.699 3.614 -8.777 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.272 5.933 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 571 2.601 5.165 -8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.628 7.489 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 571 3.569 6.876 -7.642 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.000 1.261 -4.856 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.288 0.907 -3.633 1.00 0.00 C ATOM 1118 C HIS A 572 0.534 -0.353 -3.850 1.00 0.00 C ATOM 1119 O HIS A 572 1.425 -0.673 -3.066 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.270 0.686 -2.481 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.799 1.953 -1.890 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.851 2.337 -0.594 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.288 2.962 -2.676 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -2.376 3.603 -0.575 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -2.618 3.935 -1.854 1.00 0.00 N flip ATOM 0 H HIS A 572 -1.931 0.851 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 572 0.377 1.732 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -2.106 0.086 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -0.775 0.110 -1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.383 2.960 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.559 4.214 0.297 1.00 0.00 H new ATOM 0 HE2 HIS A 572 -3.009 4.829 -2.151 1.00 0.00 H new ATOM 1133 N ILE A 573 0.233 -1.054 -4.928 1.00 0.00 N ATOM 1134 CA ILE A 573 0.865 -2.326 -5.218 1.00 0.00 C ATOM 1135 C ILE A 573 1.782 -2.213 -6.431 1.00 0.00 C ATOM 1136 O ILE A 573 1.342 -1.848 -7.520 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.194 -3.416 -5.479 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.128 -3.548 -4.272 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.479 -4.744 -5.793 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.319 -4.447 -4.518 1.00 0.00 C ATOM 0 H ILE A 573 -0.453 -0.759 -5.623 1.00 0.00 H new ATOM 0 HA ILE A 573 1.459 -2.605 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.792 -3.126 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.561 -3.936 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.484 -2.557 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.282 -5.503 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 573 1.102 -4.635 -6.680 1.00 0.00 H new ATOM 0 HG23 ILE A 573 1.099 -5.046 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.934 -4.491 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -2.911 -4.050 -5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -1.972 -5.449 -4.770 1.00 0.00 H new ATOM 1152 N GLY A 574 3.053 -2.516 -6.224 1.00 0.00 N ATOM 1153 CA GLY A 574 4.012 -2.517 -7.309 1.00 0.00 C ATOM 1154 C GLY A 574 4.080 -3.858 -8.016 1.00 0.00 C ATOM 1155 O GLY A 574 3.805 -4.897 -7.412 1.00 0.00 O ATOM 0 H GLY A 574 3.441 -2.764 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.745 -1.743 -8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.998 -2.264 -6.920 1.00 0.00 H new ATOM 1159 N ASP A 575 4.477 -3.826 -9.282 1.00 0.00 N ATOM 1160 CA ASP A 575 4.495 -5.012 -10.145 1.00 0.00 C ATOM 1161 C ASP A 575 5.561 -6.032 -9.728 1.00 0.00 C ATOM 1162 O ASP A 575 5.461 -7.217 -10.050 1.00 0.00 O ATOM 1163 CB ASP A 575 4.715 -4.569 -11.596 1.00 0.00 C ATOM 1164 CG ASP A 575 5.011 -5.712 -12.548 1.00 0.00 C ATOM 1165 OD1 ASP A 575 4.099 -6.515 -12.842 1.00 0.00 O1- ATOM 1166 OD2 ASP A 575 6.166 -5.809 -13.021 1.00 0.00 O ATOM 0 H ASP A 575 4.798 -2.976 -9.746 1.00 0.00 H new ATOM 0 HA ASP A 575 3.533 -5.515 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 575 3.827 -4.040 -11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 575 5.541 -3.859 -11.628 1.00 0.00 H new ATOM 1171 N GLU A 576 6.568 -5.582 -8.996 1.00 0.00 N ATOM 1172 CA GLU A 576 7.666 -6.452 -8.610 1.00 0.00 C ATOM 1173 C GLU A 576 8.175 -6.090 -7.237 1.00 0.00 C ATOM 1174 O GLU A 576 8.024 -4.952 -6.794 1.00 0.00 O ATOM 1175 CB GLU A 576 8.797 -6.390 -9.635 1.00 0.00 C ATOM 1176 CG GLU A 576 9.428 -5.019 -9.772 1.00 0.00 C ATOM 1177 CD GLU A 576 10.494 -4.971 -10.843 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.546 -5.620 -10.672 1.00 0.00 O ATOM 1179 OE2 GLU A 576 10.282 -4.287 -11.862 1.00 0.00 O1- ATOM 0 H GLU A 576 6.647 -4.623 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 576 7.291 -7.475 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 576 9.568 -7.107 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 576 8.411 -6.700 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.653 -4.288 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.865 -4.728 -8.817 1.00 0.00 H new ATOM 1186 N ILE A 577 8.748 -7.074 -6.552 1.00 0.00 N ATOM 1187 CA ILE A 577 9.209 -6.870 -5.194 1.00 0.00 C ATOM 1188 C ILE A 577 10.432 -5.960 -5.168 1.00 0.00 C ATOM 1189 O ILE A 577 11.491 -6.313 -5.686 1.00 0.00 O ATOM 1190 CB ILE A 577 9.538 -8.199 -4.472 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.301 -9.107 -4.423 1.00 0.00 C ATOM 1192 CG2 ILE A 577 10.041 -7.920 -3.063 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.565 -10.469 -3.826 1.00 0.00 C ATOM 0 H ILE A 577 8.901 -8.014 -6.917 1.00 0.00 H new ATOM 0 HA ILE A 577 8.387 -6.395 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 577 10.321 -8.712 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.522 -8.612 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 577 7.915 -9.233 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 577 10.269 -8.862 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.942 -7.308 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 577 9.273 -7.389 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 577 7.644 -11.051 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.321 -10.985 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 577 8.922 -10.355 -2.802 1.00 0.00 H new ATOM 1205 N LEU A 578 10.268 -4.791 -4.576 1.00 0.00 N ATOM 1206 CA LEU A 578 11.358 -3.849 -4.416 1.00 0.00 C ATOM 1207 C LEU A 578 11.702 -3.757 -2.935 1.00 0.00 C ATOM 1208 O LEU A 578 11.019 -3.081 -2.168 1.00 0.00 O ATOM 1209 CB LEU A 578 10.959 -2.476 -4.974 1.00 0.00 C ATOM 1210 CG LEU A 578 12.106 -1.624 -5.540 1.00 0.00 C ATOM 1211 CD1 LEU A 578 11.573 -0.312 -6.087 1.00 0.00 C ATOM 1212 CD2 LEU A 578 13.176 -1.360 -4.489 1.00 0.00 C ATOM 0 H LEU A 578 9.378 -4.470 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 578 12.233 -4.189 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.220 -2.626 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.469 -1.911 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 578 12.566 -2.187 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 578 12.399 0.279 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 578 10.856 -0.514 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 578 11.081 0.242 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 578 13.972 -0.755 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 578 12.735 -0.828 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 578 13.589 -2.308 -4.144 1.00 0.00 H new ATOM 1224 N VAL A 579 12.740 -4.473 -2.534 1.00 0.00 N ATOM 1225 CA VAL A 579 13.118 -4.536 -1.130 1.00 0.00 C ATOM 1226 C VAL A 579 13.835 -3.266 -0.686 1.00 0.00 C ATOM 1227 O VAL A 579 14.313 -2.489 -1.512 1.00 0.00 O ATOM 1228 CB VAL A 579 13.998 -5.765 -0.831 1.00 0.00 C ATOM 1229 CG1 VAL A 579 13.207 -7.043 -1.063 1.00 0.00 C ATOM 1230 CG2 VAL A 579 15.265 -5.747 -1.674 1.00 0.00 C ATOM 0 H VAL A 579 13.335 -5.018 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 579 12.192 -4.629 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 579 14.299 -5.729 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 579 13.838 -7.905 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 579 12.338 -7.057 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.877 -7.083 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.868 -6.625 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.999 -5.757 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.837 -4.846 -1.452 1.00 0.00 H new ATOM 1240 N SER A 580 13.908 -3.074 0.627 1.00 0.00 N ATOM 1241 CA SER A 580 14.492 -1.865 1.210 1.00 0.00 C ATOM 1242 C SER A 580 15.928 -1.633 0.749 1.00 0.00 C ATOM 1243 O SER A 580 16.362 -0.488 0.615 1.00 0.00 O ATOM 1244 CB SER A 580 14.439 -1.920 2.734 1.00 0.00 C ATOM 1245 OG SER A 580 13.111 -2.124 3.185 1.00 0.00 O ATOM 0 H SER A 580 13.567 -3.745 1.315 1.00 0.00 H new ATOM 0 HA SER A 580 13.892 -1.026 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 580 15.078 -2.725 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 580 14.830 -0.991 3.150 1.00 0.00 H new ATOM 0 HG SER A 580 12.483 -1.871 2.477 1.00 0.00 H new ATOM 1251 N GLY A 581 16.655 -2.712 0.479 1.00 0.00 N ATOM 1252 CA GLY A 581 18.018 -2.582 -0.002 1.00 0.00 C ATOM 1253 C GLY A 581 18.070 -1.997 -1.398 1.00 0.00 C ATOM 1254 O GLY A 581 19.114 -1.539 -1.854 1.00 0.00 O ATOM 0 H GLY A 581 16.326 -3.672 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.585 -1.947 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 581 18.499 -3.560 -0.000 1.00 0.00 H new ATOM 1258 N GLY A 582 16.926 -2.002 -2.067 1.00 0.00 N ATOM 1259 CA GLY A 582 16.832 -1.450 -3.398 1.00 0.00 C ATOM 1260 C GLY A 582 16.216 -0.066 -3.402 1.00 0.00 C ATOM 1261 O GLY A 582 16.239 0.624 -4.415 1.00 0.00 O ATOM 0 H GLY A 582 16.053 -2.384 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.827 -1.404 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 582 16.234 -2.113 -4.023 1.00 0.00 H new ATOM 1265 N ILE A 583 15.661 0.327 -2.262 1.00 0.00 N ATOM 1266 CA ILE A 583 15.002 1.620 -2.106 1.00 0.00 C ATOM 1267 C ILE A 583 16.028 2.751 -1.931 1.00 0.00 C ATOM 1268 O ILE A 583 15.673 3.930 -1.885 1.00 0.00 O ATOM 1269 CB ILE A 583 14.044 1.546 -0.886 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.011 0.443 -1.119 1.00 0.00 C ATOM 1271 CG2 ILE A 583 13.344 2.868 -0.605 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.066 0.242 0.041 1.00 0.00 C ATOM 0 H ILE A 583 15.655 -0.243 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 583 14.431 1.845 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 583 14.648 1.319 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.432 0.682 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.531 -0.494 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 583 12.688 2.756 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 583 14.088 3.637 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 583 12.754 3.159 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.362 -0.556 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 583 12.634 -0.029 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 583 11.518 1.165 0.228 1.00 0.00 H new ATOM 1284 N GLY A 584 17.306 2.373 -1.869 1.00 0.00 N ATOM 1285 CA GLY A 584 18.382 3.333 -1.645 1.00 0.00 C ATOM 1286 C GLY A 584 18.338 4.533 -2.578 1.00 0.00 C ATOM 1287 O GLY A 584 18.239 4.377 -3.801 1.00 0.00 O ATOM 0 H GLY A 584 17.619 1.408 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 584 18.334 3.684 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 584 19.339 2.826 -1.765 1.00 0.00 H new ATOM 1291 N ALA A 585 18.408 5.726 -1.978 1.00 0.00 N ATOM 1292 CA ALA A 585 18.366 7.002 -2.695 1.00 0.00 C ATOM 1293 C ALA A 585 16.969 7.274 -3.237 1.00 0.00 C ATOM 1294 O ALA A 585 16.173 7.949 -2.587 1.00 0.00 O ATOM 1295 CB ALA A 585 19.411 7.072 -3.806 1.00 0.00 C ATOM 0 H ALA A 585 18.497 5.832 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 585 18.613 7.784 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.342 8.036 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.406 6.957 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.231 6.273 -4.525 1.00 0.00 H new ATOM 1301 N LEU A 586 16.671 6.738 -4.410 1.00 0.00 N ATOM 1302 CA LEU A 586 15.361 6.909 -5.022 1.00 0.00 C ATOM 1303 C LEU A 586 15.213 5.945 -6.188 1.00 0.00 C ATOM 1304 O LEU A 586 15.968 6.013 -7.161 1.00 0.00 O ATOM 1305 CB LEU A 586 15.177 8.357 -5.508 1.00 0.00 C ATOM 1306 CG LEU A 586 13.727 8.828 -5.694 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.692 10.330 -5.904 1.00 0.00 C ATOM 1308 CD2 LEU A 586 13.055 8.133 -6.869 1.00 0.00 C ATOM 0 H LEU A 586 17.322 6.178 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 586 14.594 6.696 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.665 9.023 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.699 8.469 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 586 13.178 8.568 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.660 10.655 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 586 14.122 10.829 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 586 14.269 10.587 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 586 12.031 8.493 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.606 8.351 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 586 13.046 7.056 -6.698 1.00 0.00 H new ATOM 1320 N VAL A 587 14.255 5.044 -6.082 1.00 0.00 N ATOM 1321 CA VAL A 587 13.962 4.110 -7.156 1.00 0.00 C ATOM 1322 C VAL A 587 12.463 4.062 -7.407 1.00 0.00 C ATOM 1323 O VAL A 587 11.669 3.933 -6.475 1.00 0.00 O ATOM 1324 CB VAL A 587 14.488 2.686 -6.860 1.00 0.00 C ATOM 1325 CG1 VAL A 587 14.136 1.730 -7.996 1.00 0.00 C ATOM 1326 CG2 VAL A 587 15.991 2.711 -6.637 1.00 0.00 C ATOM 0 H VAL A 587 13.662 4.938 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 587 14.478 4.470 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 587 14.006 2.328 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 587 14.516 0.735 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 587 13.053 1.687 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 587 14.587 2.085 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 587 16.345 1.701 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 587 16.485 3.093 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 587 16.223 3.357 -5.790 1.00 0.00 H new ATOM 1336 N ARG A 588 12.086 4.189 -8.668 1.00 0.00 N ATOM 1337 CA ARG A 588 10.685 4.200 -9.047 1.00 0.00 C ATOM 1338 C ARG A 588 10.228 2.829 -9.504 1.00 0.00 C ATOM 1339 O ARG A 588 10.854 2.189 -10.354 1.00 0.00 O ATOM 1340 CB ARG A 588 10.429 5.250 -10.127 1.00 0.00 C ATOM 1341 CG ARG A 588 11.553 5.372 -11.139 1.00 0.00 C ATOM 1342 CD ARG A 588 11.277 6.480 -12.138 1.00 0.00 C ATOM 1343 NE ARG A 588 10.893 7.729 -11.475 1.00 0.00 N ATOM 1344 CZ ARG A 588 11.054 8.937 -12.007 1.00 0.00 C ATOM 1345 NH1 ARG A 588 11.747 9.084 -13.128 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 10.555 10.002 -11.399 1.00 0.00 N ATOM 0 H ARG A 588 12.735 4.286 -9.449 1.00 0.00 H new ATOM 0 HA ARG A 588 10.100 4.465 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 588 9.506 5.002 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 588 10.275 6.218 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 588 12.491 5.571 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 588 11.675 4.426 -11.666 1.00 0.00 H new ATOM 0 HD2 ARG A 588 12.165 6.650 -12.746 1.00 0.00 H new ATOM 0 HD3 ARG A 588 10.482 6.169 -12.815 1.00 0.00 H new ATOM 0 HE ARG A 588 10.476 7.668 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 588 12.158 8.269 -13.584 1.00 0.00 H new ATOM 0 HH12 ARG A 588 11.869 10.012 -13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 588 10.046 9.897 -10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 588 10.679 10.928 -11.808 1.00 0.00 H new ATOM 1360 N LEU A 589 9.135 2.391 -8.914 1.00 0.00 N ATOM 1361 CA LEU A 589 8.582 1.078 -9.165 1.00 0.00 C ATOM 1362 C LEU A 589 7.201 1.196 -9.789 1.00 0.00 C ATOM 1363 O LEU A 589 6.332 1.869 -9.252 1.00 0.00 O ATOM 1364 CB LEU A 589 8.500 0.314 -7.845 1.00 0.00 C ATOM 1365 CG LEU A 589 7.682 -0.975 -7.869 1.00 0.00 C ATOM 1366 CD1 LEU A 589 8.340 -1.999 -8.771 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.522 -1.528 -6.464 1.00 0.00 C ATOM 0 H LEU A 589 8.602 2.942 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 589 9.226 0.540 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 589 9.513 0.072 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 589 8.076 0.976 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 589 6.692 -0.751 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 589 7.746 -2.913 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.407 -1.602 -9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 589 9.341 -2.220 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 589 6.937 -2.447 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 589 8.505 -1.740 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.010 -0.795 -5.841 1.00 0.00 H new ATOM 1379 N LYS A 590 6.996 0.543 -10.915 1.00 0.00 N ATOM 1380 CA LYS A 590 5.706 0.565 -11.574 1.00 0.00 C ATOM 1381 C LYS A 590 4.661 -0.136 -10.717 1.00 0.00 C ATOM 1382 O LYS A 590 4.911 -1.214 -10.173 1.00 0.00 O ATOM 1383 CB LYS A 590 5.797 -0.116 -12.935 1.00 0.00 C ATOM 1384 CG LYS A 590 6.657 0.616 -13.956 1.00 0.00 C ATOM 1385 CD LYS A 590 6.077 1.977 -14.312 1.00 0.00 C ATOM 1386 CE LYS A 590 6.702 2.539 -15.583 1.00 0.00 C ATOM 1387 NZ LYS A 590 8.159 2.804 -15.437 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.707 -0.010 -11.393 1.00 0.00 H new ATOM 0 HA LYS A 590 5.409 1.604 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.196 -1.121 -12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 590 4.791 -0.226 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 590 7.664 0.743 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A 590 6.744 0.011 -14.858 1.00 0.00 H new ATOM 0 HD2 LYS A 590 4.999 1.890 -14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 590 6.242 2.670 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 590 6.545 1.837 -16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 590 6.194 3.464 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 8.534 3.185 -16.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 8.312 3.495 -14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 8.651 1.918 -15.205 1.00 0.00 H new ATOM 1401 N SER A 591 3.503 0.488 -10.585 1.00 0.00 N ATOM 1402 CA SER A 591 2.423 -0.076 -9.793 1.00 0.00 C ATOM 1403 C SER A 591 1.403 -0.770 -10.694 1.00 0.00 C ATOM 1404 O SER A 591 1.621 -0.918 -11.895 1.00 0.00 O ATOM 1405 CB SER A 591 1.729 1.025 -8.993 1.00 0.00 C ATOM 1406 OG SER A 591 1.041 1.904 -9.864 1.00 0.00 O ATOM 0 H SER A 591 3.286 1.386 -11.017 1.00 0.00 H new ATOM 0 HA SER A 591 2.848 -0.810 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 591 1.029 0.583 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.465 1.580 -8.411 1.00 0.00 H new ATOM 0 HG SER A 591 1.689 2.413 -10.394 1.00 0.00 H new ATOM 1412 N LEU A 592 0.287 -1.174 -10.110 1.00 0.00 N ATOM 1413 CA LEU A 592 -0.787 -1.808 -10.865 1.00 0.00 C ATOM 1414 C LEU A 592 -1.653 -0.759 -11.553 1.00 0.00 C ATOM 1415 O LEU A 592 -2.099 -0.952 -12.680 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.672 -2.663 -9.958 1.00 0.00 C ATOM 1417 CG LEU A 592 -0.971 -3.801 -9.216 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -1.981 -4.593 -8.404 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -0.236 -4.710 -10.189 1.00 0.00 C ATOM 0 H LEU A 592 0.099 -1.075 -9.112 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.321 -2.448 -11.614 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.141 -2.010 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.473 -3.089 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 592 -0.235 -3.370 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -1.472 -5.401 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -2.461 -3.935 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 592 -2.736 -5.011 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 592 0.255 -5.512 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -0.947 -5.138 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.512 -4.133 -10.732 1.00 0.00 H new ATOM 1431 N GLN A 593 -1.898 0.346 -10.855 1.00 0.00 N ATOM 1432 CA GLN A 593 -2.717 1.434 -11.393 1.00 0.00 C ATOM 1433 C GLN A 593 -2.060 2.025 -12.634 1.00 0.00 C ATOM 1434 O GLN A 593 -2.728 2.510 -13.548 1.00 0.00 O ATOM 1435 CB GLN A 593 -2.896 2.524 -10.340 1.00 0.00 C ATOM 1436 CG GLN A 593 -3.766 3.677 -10.804 1.00 0.00 C ATOM 1437 CD GLN A 593 -3.707 4.872 -9.875 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -2.895 5.775 -10.064 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -4.549 4.883 -8.852 1.00 0.00 N ATOM 0 H GLN A 593 -1.542 0.514 -9.914 1.00 0.00 H new ATOM 0 HA GLN A 593 -3.693 1.033 -11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.336 2.085 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -1.916 2.909 -10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -3.452 3.983 -11.802 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -4.798 3.337 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.209 4.116 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -4.537 5.659 -8.190 1.00 0.00 H new ATOM 1448 N GLY A 594 -0.746 1.972 -12.657 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.021 2.302 -13.865 1.00 0.00 C ATOM 1450 C GLY A 594 1.026 3.376 -13.666 1.00 0.00 C ATOM 1451 O GLY A 594 1.910 3.533 -14.500 1.00 0.00 O ATOM 0 H GLY A 594 -0.163 1.707 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 594 0.461 1.402 -14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -0.729 2.632 -14.625 1.00 0.00 H new ATOM 1455 N ASP A 595 0.934 4.125 -12.576 1.00 0.00 N ATOM 1456 CA ASP A 595 1.919 5.161 -12.308 1.00 0.00 C ATOM 1457 C ASP A 595 3.135 4.549 -11.622 1.00 0.00 C ATOM 1458 O ASP A 595 3.199 3.328 -11.433 1.00 0.00 O ATOM 1459 CB ASP A 595 1.323 6.267 -11.440 1.00 0.00 C ATOM 1460 CG ASP A 595 1.970 7.614 -11.709 1.00 0.00 C ATOM 1461 OD1 ASP A 595 3.045 7.890 -11.144 1.00 0.00 O ATOM 1462 OD2 ASP A 595 1.408 8.398 -12.506 1.00 0.00 O1- ATOM 0 H ASP A 595 0.200 4.037 -11.874 1.00 0.00 H new ATOM 0 HA ASP A 595 2.226 5.604 -13.256 1.00 0.00 H new ATOM 0 HB2 ASP A 595 0.251 6.336 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 595 1.447 6.009 -10.388 1.00 0.00 H new ATOM 1467 N LYS A 596 4.100 5.377 -11.250 1.00 0.00 N ATOM 1468 CA LYS A 596 5.307 4.883 -10.627 1.00 0.00 C ATOM 1469 C LYS A 596 5.300 5.176 -9.133 1.00 0.00 C ATOM 1470 O LYS A 596 4.860 6.242 -8.700 1.00 0.00 O ATOM 1471 CB LYS A 596 6.537 5.521 -11.272 1.00 0.00 C ATOM 1472 CG LYS A 596 6.564 7.034 -11.139 1.00 0.00 C ATOM 1473 CD LYS A 596 6.158 7.736 -12.422 1.00 0.00 C ATOM 1474 CE LYS A 596 6.157 9.247 -12.241 1.00 0.00 C ATOM 1475 NZ LYS A 596 5.814 9.959 -13.498 1.00 0.00 N1+ ATOM 0 H LYS A 596 4.066 6.389 -11.370 1.00 0.00 H new ATOM 0 HA LYS A 596 5.347 3.803 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 596 7.435 5.106 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 596 6.565 5.255 -12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 596 5.894 7.337 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 596 7.567 7.353 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 596 6.845 7.463 -13.223 1.00 0.00 H new ATOM 0 HD3 LYS A 596 5.166 7.402 -12.725 1.00 0.00 H new ATOM 0 HE2 LYS A 596 5.442 9.518 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 596 7.139 9.571 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 5.825 10.985 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 6.510 9.721 -14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 4.866 9.670 -13.813 1.00 0.00 H new ATOM 1489 N LEU A 597 5.760 4.217 -8.357 1.00 0.00 N ATOM 1490 CA LEU A 597 5.983 4.428 -6.941 1.00 0.00 C ATOM 1491 C LEU A 597 7.330 5.109 -6.754 1.00 0.00 C ATOM 1492 O LEU A 597 8.371 4.536 -7.081 1.00 0.00 O ATOM 1493 CB LEU A 597 5.943 3.094 -6.177 1.00 0.00 C ATOM 1494 CG LEU A 597 4.597 2.363 -6.215 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.674 1.040 -5.466 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.514 3.238 -5.619 1.00 0.00 C ATOM 0 H LEU A 597 5.988 3.278 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 597 5.192 5.062 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.708 2.435 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 597 6.208 3.281 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 597 4.352 2.151 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.706 0.541 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 597 5.430 0.404 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.941 1.226 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.561 2.710 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.764 3.473 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.436 4.162 -6.192 1.00 0.00 H new ATOM 1508 N GLU A 598 7.308 6.327 -6.245 1.00 0.00 N ATOM 1509 CA GLU A 598 8.524 7.107 -6.093 1.00 0.00 C ATOM 1510 C GLU A 598 9.082 6.913 -4.689 1.00 0.00 C ATOM 1511 O GLU A 598 8.746 7.666 -3.776 1.00 0.00 O ATOM 1512 CB GLU A 598 8.233 8.589 -6.347 1.00 0.00 C ATOM 1513 CG GLU A 598 9.390 9.339 -6.983 1.00 0.00 C ATOM 1514 CD GLU A 598 9.487 9.096 -8.475 1.00 0.00 C ATOM 1515 OE1 GLU A 598 10.096 8.094 -8.889 1.00 0.00 O ATOM 1516 OE2 GLU A 598 8.953 9.921 -9.247 1.00 0.00 O1- ATOM 0 H GLU A 598 6.461 6.799 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 598 9.262 6.768 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.359 8.673 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 598 7.978 9.067 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 598 9.272 10.407 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 598 10.322 9.034 -6.507 1.00 0.00 H new ATOM 1523 N VAL A 599 9.895 5.884 -4.506 1.00 0.00 N ATOM 1524 CA VAL A 599 10.382 5.532 -3.187 1.00 0.00 C ATOM 1525 C VAL A 599 11.789 6.070 -2.963 1.00 0.00 C ATOM 1526 O VAL A 599 12.682 5.842 -3.781 1.00 0.00 O ATOM 1527 CB VAL A 599 10.372 4.009 -2.974 1.00 0.00 C ATOM 1528 CG1 VAL A 599 10.284 3.687 -1.494 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.220 3.373 -3.727 1.00 0.00 C ATOM 0 H VAL A 599 10.230 5.280 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 599 9.708 5.989 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 599 11.303 3.598 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 599 10.278 2.606 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 599 11.144 4.113 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 599 9.367 4.110 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.230 2.295 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.278 3.786 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 599 9.323 3.580 -4.792 1.00 0.00 H new ATOM 1539 N SER A 600 11.988 6.783 -1.857 1.00 0.00 N ATOM 1540 CA SER A 600 13.266 7.448 -1.616 1.00 0.00 C ATOM 1541 C SER A 600 13.788 7.158 -0.209 1.00 0.00 C ATOM 1542 O SER A 600 13.263 7.677 0.762 1.00 0.00 O ATOM 1543 CB SER A 600 13.099 8.963 -1.817 1.00 0.00 C ATOM 1544 OG SER A 600 14.329 9.653 -1.680 1.00 0.00 O ATOM 0 H SER A 600 11.292 6.914 -1.123 1.00 0.00 H new ATOM 0 HA SER A 600 13.996 7.061 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 600 12.684 9.154 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 600 12.383 9.349 -1.091 1.00 0.00 H new ATOM 0 HG SER A 600 15.040 9.146 -2.124 1.00 0.00 H new ATOM 1550 N LEU A 601 14.837 6.354 -0.112 1.00 0.00 N ATOM 1551 CA LEU A 601 15.404 5.976 1.181 1.00 0.00 C ATOM 1552 C LEU A 601 16.746 6.666 1.396 1.00 0.00 C ATOM 1553 O LEU A 601 17.703 6.432 0.654 1.00 0.00 O ATOM 1554 CB LEU A 601 15.612 4.460 1.253 1.00 0.00 C ATOM 1555 CG LEU A 601 16.346 3.957 2.502 1.00 0.00 C ATOM 1556 CD1 LEU A 601 15.537 4.240 3.756 1.00 0.00 C ATOM 1557 CD2 LEU A 601 16.647 2.472 2.378 1.00 0.00 C ATOM 0 H LEU A 601 15.317 5.948 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 601 14.704 6.286 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 601 14.638 3.974 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 601 16.171 4.144 0.372 1.00 0.00 H new ATOM 0 HG LEU A 601 17.291 4.494 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 601 16.078 3.874 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 601 15.378 5.314 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 601 14.573 3.735 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 601 17.168 2.130 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 601 15.714 1.920 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 601 17.275 2.300 1.504 1.00 0.00 H new ATOM 1569 N LYS A 602 16.807 7.522 2.403 1.00 0.00 N ATOM 1570 CA LYS A 602 18.050 8.184 2.772 1.00 0.00 C ATOM 1571 C LYS A 602 18.062 8.516 4.260 1.00 0.00 C ATOM 1572 O LYS A 602 17.075 9.027 4.795 1.00 0.00 O ATOM 1573 CB LYS A 602 18.262 9.460 1.946 1.00 0.00 C ATOM 1574 CG LYS A 602 19.479 10.257 2.384 1.00 0.00 C ATOM 1575 CD LYS A 602 19.828 11.363 1.408 1.00 0.00 C ATOM 1576 CE LYS A 602 20.993 12.190 1.927 1.00 0.00 C ATOM 1577 NZ LYS A 602 22.118 11.330 2.384 1.00 0.00 N1+ ATOM 0 H LYS A 602 16.007 7.776 2.982 1.00 0.00 H new ATOM 0 HA LYS A 602 18.869 7.497 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 602 18.370 9.192 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 602 17.375 10.089 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 602 19.292 10.689 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 602 20.331 9.586 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 602 20.084 10.933 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 602 18.961 12.005 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 602 21.343 12.859 1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 602 20.655 12.817 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 22.980 11.905 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 21.883 10.913 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 22.278 10.571 1.691 1.00 0.00 H new ATOM 1591 N ASN A 603 19.180 8.206 4.918 1.00 0.00 N ATOM 1592 CA ASN A 603 19.358 8.471 6.348 1.00 0.00 C ATOM 1593 C ASN A 603 18.283 7.763 7.162 1.00 0.00 C ATOM 1594 O ASN A 603 17.761 8.310 8.135 1.00 0.00 O ATOM 1595 CB ASN A 603 19.353 9.981 6.641 1.00 0.00 C ATOM 1596 CG ASN A 603 20.568 10.704 6.075 1.00 0.00 C ATOM 1597 OD1 ASN A 603 21.110 10.334 5.031 1.00 0.00 O ATOM 1598 ND2 ASN A 603 21.018 11.740 6.765 1.00 0.00 N ATOM 0 H ASN A 603 19.987 7.765 4.476 1.00 0.00 H new ATOM 0 HA ASN A 603 20.331 8.077 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 603 18.448 10.423 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 603 19.316 10.136 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 603 21.834 12.256 6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 603 20.548 12.023 7.625 1.00 0.00 H new ATOM 1605 N ASN A 604 17.983 6.529 6.751 1.00 0.00 N ATOM 1606 CA ASN A 604 16.970 5.694 7.379 1.00 0.00 C ATOM 1607 C ASN A 604 15.562 6.254 7.210 1.00 0.00 C ATOM 1608 O ASN A 604 14.621 5.781 7.849 1.00 0.00 O ATOM 1609 CB ASN A 604 17.284 5.471 8.854 1.00 0.00 C ATOM 1610 CG ASN A 604 18.373 4.437 9.071 1.00 0.00 C ATOM 1611 OD1 ASN A 604 18.444 3.455 8.187 1.00 0.00 O flip ATOM 1612 ND2 ASN A 604 19.131 4.507 10.037 1.00 0.00 N flip ATOM 0 H ASN A 604 18.446 6.080 5.961 1.00 0.00 H new ATOM 0 HA ASN A 604 16.996 4.733 6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 604 17.591 6.416 9.303 1.00 0.00 H new ATOM 0 HB3 ASN A 604 16.378 5.153 9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 604 19.046 5.280 10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 604 19.845 3.792 10.178 1.00 0.00 H new ATOM 1619 N VAL A 605 15.408 7.246 6.342 1.00 0.00 N ATOM 1620 CA VAL A 605 14.089 7.767 6.026 1.00 0.00 C ATOM 1621 C VAL A 605 13.739 7.468 4.576 1.00 0.00 C ATOM 1622 O VAL A 605 14.311 8.046 3.654 1.00 0.00 O ATOM 1623 CB VAL A 605 13.975 9.288 6.268 1.00 0.00 C ATOM 1624 CG1 VAL A 605 12.551 9.757 5.987 1.00 0.00 C ATOM 1625 CG2 VAL A 605 14.384 9.641 7.691 1.00 0.00 C ATOM 0 H VAL A 605 16.176 7.702 5.849 1.00 0.00 H new ATOM 0 HA VAL A 605 13.389 7.269 6.697 1.00 0.00 H new ATOM 0 HB VAL A 605 14.654 9.800 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 605 12.481 10.831 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 605 12.294 9.539 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 605 11.859 9.236 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 605 14.296 10.717 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 605 13.733 9.124 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 605 15.417 9.335 7.859 1.00 0.00 H new ATOM 1635 N VAL A 606 12.828 6.533 4.385 1.00 0.00 N ATOM 1636 CA VAL A 606 12.332 6.200 3.064 1.00 0.00 C ATOM 1637 C VAL A 606 11.005 6.903 2.794 1.00 0.00 C ATOM 1638 O VAL A 606 10.162 6.998 3.674 1.00 0.00 O ATOM 1639 CB VAL A 606 12.177 4.673 2.913 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.576 4.067 4.164 1.00 0.00 C ATOM 1641 CG2 VAL A 606 11.355 4.320 1.687 1.00 0.00 C ATOM 0 H VAL A 606 12.412 5.985 5.138 1.00 0.00 H new ATOM 0 HA VAL A 606 13.058 6.546 2.328 1.00 0.00 H new ATOM 0 HB VAL A 606 13.172 4.249 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 606 11.476 2.989 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 606 12.225 4.271 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 606 10.594 4.503 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 606 11.264 3.237 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 606 10.362 4.762 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 606 11.847 4.708 0.795 1.00 0.00 H new ATOM 1651 N SER A 607 10.842 7.432 1.590 1.00 0.00 N ATOM 1652 CA SER A 607 9.617 8.116 1.231 1.00 0.00 C ATOM 1653 C SER A 607 9.079 7.660 -0.109 1.00 0.00 C ATOM 1654 O SER A 607 9.737 7.803 -1.126 1.00 0.00 O ATOM 1655 CB SER A 607 9.837 9.626 1.229 1.00 0.00 C ATOM 1656 OG SER A 607 10.269 10.078 2.502 1.00 0.00 O ATOM 0 H SER A 607 11.543 7.399 0.850 1.00 0.00 H new ATOM 0 HA SER A 607 8.870 7.862 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 607 10.579 9.888 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 607 8.911 10.132 0.954 1.00 0.00 H new ATOM 0 HG SER A 607 10.405 11.048 2.476 1.00 0.00 H new ATOM 1662 N VAL A 608 7.864 7.138 -0.099 1.00 0.00 N ATOM 1663 CA VAL A 608 7.248 6.618 -1.300 1.00 0.00 C ATOM 1664 C VAL A 608 6.100 7.519 -1.730 1.00 0.00 C ATOM 1665 O VAL A 608 5.191 7.800 -0.950 1.00 0.00 O ATOM 1666 CB VAL A 608 6.742 5.170 -1.102 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.762 5.078 0.060 1.00 0.00 C ATOM 1668 CG2 VAL A 608 6.106 4.643 -2.377 1.00 0.00 C ATOM 0 H VAL A 608 7.284 7.065 0.737 1.00 0.00 H new ATOM 0 HA VAL A 608 8.007 6.600 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 608 7.605 4.549 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.426 4.047 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.254 5.401 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 608 4.904 5.720 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.757 3.623 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.262 5.276 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.842 4.651 -3.181 1.00 0.00 H new ATOM 1678 N ASN A 609 6.175 8.000 -2.964 1.00 0.00 N ATOM 1679 CA ASN A 609 5.137 8.854 -3.534 1.00 0.00 C ATOM 1680 C ASN A 609 5.021 10.130 -2.711 1.00 0.00 C ATOM 1681 O ASN A 609 3.932 10.680 -2.559 1.00 0.00 O ATOM 1682 CB ASN A 609 3.791 8.118 -3.565 1.00 0.00 C ATOM 1683 CG ASN A 609 3.898 6.734 -4.156 1.00 0.00 C ATOM 1684 OD1 ASN A 609 4.732 6.472 -5.020 1.00 0.00 O ATOM 1685 ND2 ASN A 609 3.057 5.838 -3.678 1.00 0.00 N ATOM 0 H ASN A 609 6.952 7.811 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 609 5.410 9.109 -4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.397 8.046 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 609 3.076 8.702 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 609 3.081 4.879 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 609 2.382 6.104 -2.961 1.00 0.00 H new ATOM 1692 N LYS A 610 6.174 10.577 -2.189 1.00 0.00 N ATOM 1693 CA LYS A 610 6.288 11.769 -1.334 1.00 0.00 C ATOM 1694 C LYS A 610 5.963 11.460 0.126 1.00 0.00 C ATOM 1695 O LYS A 610 6.269 12.259 1.014 1.00 0.00 O ATOM 1696 CB LYS A 610 5.399 12.920 -1.810 1.00 0.00 C ATOM 1697 CG LYS A 610 5.798 13.523 -3.145 1.00 0.00 C ATOM 1698 CD LYS A 610 4.836 14.634 -3.532 1.00 0.00 C ATOM 1699 CE LYS A 610 4.771 15.706 -2.453 1.00 0.00 C ATOM 1700 NZ LYS A 610 3.671 16.673 -2.689 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.068 10.113 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 610 7.330 12.080 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 610 4.372 12.562 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.410 13.706 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 610 6.813 13.916 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 610 5.800 12.751 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 610 5.153 15.081 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 610 3.842 14.218 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 610 4.634 15.233 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 610 5.720 16.240 -2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 3.665 17.384 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 3.814 17.145 -3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 2.761 16.169 -2.698 1.00 0.00 H new ATOM 1714 N GLU A 611 5.363 10.308 0.380 1.00 0.00 N ATOM 1715 CA GLU A 611 4.914 9.976 1.725 1.00 0.00 C ATOM 1716 C GLU A 611 5.951 9.111 2.438 1.00 0.00 C ATOM 1717 O GLU A 611 6.329 8.048 1.948 1.00 0.00 O ATOM 1718 CB GLU A 611 3.563 9.251 1.680 1.00 0.00 C ATOM 1719 CG GLU A 611 2.510 9.951 0.828 1.00 0.00 C ATOM 1720 CD GLU A 611 2.348 11.423 1.165 1.00 0.00 C ATOM 1721 OE1 GLU A 611 2.021 11.743 2.326 1.00 0.00 O ATOM 1722 OE2 GLU A 611 2.537 12.264 0.258 1.00 0.00 O1- ATOM 0 H GLU A 611 5.176 9.591 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 611 4.792 10.905 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.716 8.243 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 611 3.183 9.149 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 611 2.780 9.853 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 611 1.552 9.447 0.960 1.00 0.00 H new ATOM 1729 N PRO A 612 6.439 9.571 3.598 1.00 0.00 N ATOM 1730 CA PRO A 612 7.466 8.860 4.367 1.00 0.00 C ATOM 1731 C PRO A 612 6.983 7.502 4.871 1.00 0.00 C ATOM 1732 O PRO A 612 5.883 7.382 5.416 1.00 0.00 O ATOM 1733 CB PRO A 612 7.756 9.798 5.548 1.00 0.00 C ATOM 1734 CG PRO A 612 7.197 11.122 5.147 1.00 0.00 C ATOM 1735 CD PRO A 612 6.029 10.818 4.254 1.00 0.00 C ATOM 0 HA PRO A 612 8.343 8.642 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.288 9.434 6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 612 8.826 9.866 5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.884 11.695 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.944 11.720 4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 612 5.107 10.692 4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 612 5.853 11.616 3.533 1.00 0.00 H new ATOM 1743 N VAL A 613 7.815 6.485 4.695 1.00 0.00 N ATOM 1744 CA VAL A 613 7.489 5.140 5.138 1.00 0.00 C ATOM 1745 C VAL A 613 7.951 4.954 6.573 1.00 0.00 C ATOM 1746 O VAL A 613 9.050 5.370 6.938 1.00 0.00 O ATOM 1747 CB VAL A 613 8.147 4.062 4.245 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.725 2.661 4.658 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.823 4.300 2.781 1.00 0.00 C ATOM 0 H VAL A 613 8.727 6.569 4.245 1.00 0.00 H new ATOM 0 HA VAL A 613 6.408 5.020 5.067 1.00 0.00 H new ATOM 0 HB VAL A 613 9.226 4.142 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.207 1.930 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 613 8.023 2.481 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.643 2.566 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.297 3.529 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.743 4.263 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.196 5.279 2.480 1.00 0.00 H new ATOM 1759 N ALA A 614 7.114 4.324 7.368 1.00 0.00 N ATOM 1760 CA ALA A 614 7.384 4.150 8.781 1.00 0.00 C ATOM 1761 C ALA A 614 8.209 2.889 9.013 1.00 0.00 C ATOM 1762 O ALA A 614 9.330 2.953 9.521 1.00 0.00 O ATOM 1763 CB ALA A 614 6.077 4.097 9.556 1.00 0.00 C ATOM 0 H ALA A 614 6.231 3.919 7.057 1.00 0.00 H new ATOM 0 HA ALA A 614 7.963 5.001 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 614 6.288 3.966 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.528 5.027 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.476 3.260 9.200 1.00 0.00 H new ATOM 1769 N GLU A 615 7.658 1.744 8.627 1.00 0.00 N ATOM 1770 CA GLU A 615 8.368 0.479 8.752 1.00 0.00 C ATOM 1771 C GLU A 615 8.366 -0.275 7.418 1.00 0.00 C ATOM 1772 O GLU A 615 7.409 -0.985 7.102 1.00 0.00 O ATOM 1773 CB GLU A 615 7.746 -0.413 9.843 1.00 0.00 C ATOM 1774 CG GLU A 615 7.691 0.211 11.238 1.00 0.00 C ATOM 1775 CD GLU A 615 6.475 1.096 11.458 1.00 0.00 C ATOM 1776 OE1 GLU A 615 5.373 0.721 11.008 1.00 0.00 O ATOM 1777 OE2 GLU A 615 6.609 2.153 12.110 1.00 0.00 O1- ATOM 0 H GLU A 615 6.723 1.667 8.226 1.00 0.00 H new ATOM 0 HA GLU A 615 9.394 0.712 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.733 -0.678 9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 615 8.315 -1.341 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.692 -0.584 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 615 8.594 0.800 11.400 1.00 0.00 H new ATOM 1784 N PRO A 616 9.405 -0.085 6.583 1.00 0.00 N ATOM 1785 CA PRO A 616 9.586 -0.869 5.352 1.00 0.00 C ATOM 1786 C PRO A 616 10.041 -2.314 5.615 1.00 0.00 C ATOM 1787 O PRO A 616 10.409 -2.663 6.737 1.00 0.00 O ATOM 1788 CB PRO A 616 10.701 -0.099 4.633 1.00 0.00 C ATOM 1789 CG PRO A 616 11.493 0.480 5.743 1.00 0.00 C ATOM 1790 CD PRO A 616 10.463 0.943 6.726 1.00 0.00 C ATOM 0 HA PRO A 616 8.655 -0.968 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.306 -0.757 4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.298 0.676 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.161 -0.260 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.116 1.306 5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 616 10.858 0.981 7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.095 1.941 6.489 1.00 0.00 H new ATOM 1798 N ASP A 617 9.976 -3.143 4.566 1.00 0.00 N ATOM 1799 CA ASP A 617 10.626 -4.467 4.534 1.00 0.00 C ATOM 1800 C ASP A 617 9.891 -5.509 5.377 1.00 0.00 C ATOM 1801 O ASP A 617 10.514 -6.345 6.033 1.00 0.00 O ATOM 1802 CB ASP A 617 12.081 -4.369 4.995 1.00 0.00 C ATOM 1803 CG ASP A 617 13.014 -5.235 4.171 1.00 0.00 C ATOM 1804 OD1 ASP A 617 13.339 -4.836 3.026 1.00 0.00 O ATOM 1805 OD2 ASP A 617 13.453 -6.289 4.671 1.00 0.00 O1- ATOM 0 H ASP A 617 9.470 -2.917 3.710 1.00 0.00 H new ATOM 0 HA ASP A 617 10.591 -4.799 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.408 -3.331 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 617 12.147 -4.665 6.042 1.00 0.00 H new ATOM 1810 N ILE A 618 8.572 -5.466 5.364 1.00 0.00 N ATOM 1811 CA ILE A 618 7.778 -6.518 5.971 1.00 0.00 C ATOM 1812 C ILE A 618 7.327 -7.486 4.882 1.00 0.00 C ATOM 1813 O ILE A 618 6.288 -7.294 4.263 1.00 0.00 O ATOM 1814 CB ILE A 618 6.555 -5.944 6.711 1.00 0.00 C ATOM 1815 CG1 ILE A 618 7.000 -4.818 7.643 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.841 -7.040 7.494 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.867 -4.168 8.404 1.00 0.00 C ATOM 0 H ILE A 618 8.028 -4.715 4.940 1.00 0.00 H new ATOM 0 HA ILE A 618 8.390 -7.040 6.706 1.00 0.00 H new ATOM 0 HB ILE A 618 5.854 -5.541 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.723 -5.214 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.515 -4.057 7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.980 -6.616 8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.506 -7.818 6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.526 -7.471 8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 618 6.263 -3.379 9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 618 5.154 -3.740 7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.366 -4.916 9.019 1.00 0.00 H new ATOM 1829 N MET A 619 8.132 -8.505 4.623 1.00 0.00 N ATOM 1830 CA MET A 619 7.910 -9.360 3.464 1.00 0.00 C ATOM 1831 C MET A 619 6.865 -10.435 3.725 1.00 0.00 C ATOM 1832 O MET A 619 6.558 -10.771 4.870 1.00 0.00 O ATOM 1833 CB MET A 619 9.214 -10.015 3.015 1.00 0.00 C ATOM 1834 CG MET A 619 10.300 -9.025 2.639 1.00 0.00 C ATOM 1835 SD MET A 619 11.645 -9.804 1.732 1.00 0.00 S ATOM 1836 CE MET A 619 10.753 -10.419 0.302 1.00 0.00 C ATOM 0 H MET A 619 8.938 -8.760 5.193 1.00 0.00 H new ATOM 0 HA MET A 619 7.533 -8.714 2.671 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.582 -10.656 3.816 1.00 0.00 H new ATOM 0 HB3 MET A 619 9.010 -10.659 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.869 -8.228 2.033 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.695 -8.560 3.543 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.371 -10.305 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.515 -11.473 0.447 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.830 -9.853 0.178 1.00 0.00 H new ATOM 1846 N ALA A 620 6.330 -10.967 2.637 1.00 0.00 N ATOM 1847 CA ALA A 620 5.336 -12.026 2.681 1.00 0.00 C ATOM 1848 C ALA A 620 5.743 -13.142 1.732 1.00 0.00 C ATOM 1849 O ALA A 620 6.851 -13.125 1.198 1.00 0.00 O ATOM 1850 CB ALA A 620 3.966 -11.485 2.300 1.00 0.00 C ATOM 0 H ALA A 620 6.576 -10.673 1.692 1.00 0.00 H new ATOM 0 HA ALA A 620 5.278 -12.419 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 620 3.233 -12.291 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.678 -10.699 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 620 4.004 -11.077 1.290 1.00 0.00 H new ATOM 1856 N THR A 621 4.855 -14.100 1.519 1.00 0.00 N ATOM 1857 CA THR A 621 5.128 -15.201 0.609 1.00 0.00 C ATOM 1858 C THR A 621 5.078 -14.731 -0.840 1.00 0.00 C ATOM 1859 O THR A 621 5.871 -15.161 -1.677 1.00 0.00 O ATOM 1860 CB THR A 621 4.111 -16.339 0.807 1.00 0.00 C ATOM 1861 OG1 THR A 621 2.778 -15.811 0.773 1.00 0.00 O ATOM 1862 CG2 THR A 621 4.346 -17.050 2.129 1.00 0.00 C ATOM 0 H THR A 621 3.938 -14.137 1.964 1.00 0.00 H new ATOM 0 HA THR A 621 6.129 -15.571 0.832 1.00 0.00 H new ATOM 0 HB THR A 621 4.239 -17.059 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 621 2.515 -15.647 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 621 3.615 -17.850 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 621 5.351 -17.472 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 621 4.241 -16.339 2.948 1.00 0.00 H new ATOM 1870 N ASN A 622 4.152 -13.825 -1.114 1.00 0.00 N ATOM 1871 CA ASN A 622 3.899 -13.368 -2.472 1.00 0.00 C ATOM 1872 C ASN A 622 4.351 -11.930 -2.688 1.00 0.00 C ATOM 1873 O ASN A 622 3.998 -11.310 -3.692 1.00 0.00 O ATOM 1874 CB ASN A 622 2.406 -13.479 -2.777 1.00 0.00 C ATOM 1875 CG ASN A 622 1.563 -12.552 -1.917 1.00 0.00 C ATOM 1876 OD1 ASN A 622 1.949 -12.179 -0.810 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.391 -12.201 -2.408 1.00 0.00 N ATOM 0 H ASN A 622 3.559 -13.389 -0.408 1.00 0.00 H new ATOM 0 HA ASN A 622 4.475 -14.002 -3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.236 -13.248 -3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 622 2.083 -14.508 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 622 -0.230 -11.600 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.105 -12.530 -3.330 1.00 0.00 H new ATOM 1884 N GLY A 623 5.130 -11.388 -1.768 1.00 0.00 N ATOM 1885 CA GLY A 623 5.580 -10.024 -1.939 1.00 0.00 C ATOM 1886 C GLY A 623 6.157 -9.408 -0.687 1.00 0.00 C ATOM 1887 O GLY A 623 6.888 -10.060 0.062 1.00 0.00 O ATOM 0 H GLY A 623 5.454 -11.856 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.334 -9.996 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 623 4.742 -9.415 -2.279 1.00 0.00 H new ATOM 1891 N VAL A 624 5.801 -8.154 -0.454 1.00 0.00 N ATOM 1892 CA VAL A 624 6.411 -7.364 0.611 1.00 0.00 C ATOM 1893 C VAL A 624 5.519 -6.177 0.984 1.00 0.00 C ATOM 1894 O VAL A 624 4.788 -5.652 0.140 1.00 0.00 O ATOM 1895 CB VAL A 624 7.815 -6.858 0.190 1.00 0.00 C ATOM 1896 CG1 VAL A 624 7.733 -5.963 -1.041 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.510 -6.129 1.335 1.00 0.00 C ATOM 0 H VAL A 624 5.089 -7.657 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 624 6.521 -8.009 1.483 1.00 0.00 H new ATOM 0 HB VAL A 624 8.412 -7.734 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 624 8.733 -5.624 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 624 7.303 -6.524 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.104 -5.100 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.492 -5.787 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 624 7.910 -5.271 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.626 -6.807 2.181 1.00 0.00 H new ATOM 1907 N VAL A 625 5.569 -5.779 2.249 1.00 0.00 N ATOM 1908 CA VAL A 625 4.805 -4.644 2.744 1.00 0.00 C ATOM 1909 C VAL A 625 5.728 -3.564 3.295 1.00 0.00 C ATOM 1910 O VAL A 625 6.737 -3.853 3.944 1.00 0.00 O ATOM 1911 CB VAL A 625 3.808 -5.072 3.851 1.00 0.00 C ATOM 1912 CG1 VAL A 625 3.215 -3.869 4.572 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.697 -5.912 3.264 1.00 0.00 C ATOM 0 H VAL A 625 6.141 -6.235 2.960 1.00 0.00 H new ATOM 0 HA VAL A 625 4.245 -4.245 1.899 1.00 0.00 H new ATOM 0 HB VAL A 625 4.365 -5.662 4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.521 -4.211 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 625 4.015 -3.292 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.683 -3.242 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 625 2.006 -6.204 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.163 -5.334 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.120 -6.805 2.804 1.00 0.00 H new ATOM 1923 N HIS A 626 5.383 -2.323 3.015 1.00 0.00 N ATOM 1924 CA HIS A 626 6.071 -1.182 3.595 1.00 0.00 C ATOM 1925 C HIS A 626 5.032 -0.265 4.227 1.00 0.00 C ATOM 1926 O HIS A 626 4.146 0.239 3.535 1.00 0.00 O ATOM 1927 CB HIS A 626 6.882 -0.428 2.532 1.00 0.00 C ATOM 1928 CG HIS A 626 7.835 -1.290 1.749 1.00 0.00 C ATOM 1929 ND1 HIS A 626 9.170 -1.466 2.059 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.608 -2.041 0.645 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.698 -2.306 1.153 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.788 -2.684 0.277 1.00 0.00 N ATOM 0 H HIS A 626 4.622 -2.076 2.383 1.00 0.00 H new ATOM 0 HA HIS A 626 6.774 -1.527 4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 626 6.191 0.051 1.838 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.447 0.367 3.020 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.662 -2.128 0.131 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.729 -2.628 1.144 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.921 -3.319 -0.510 1.00 0.00 H new ATOM 1940 N VAL A 627 5.124 -0.078 5.539 1.00 0.00 N ATOM 1941 CA VAL A 627 4.113 0.669 6.293 1.00 0.00 C ATOM 1942 C VAL A 627 4.178 2.169 6.019 1.00 0.00 C ATOM 1943 O VAL A 627 5.186 2.813 6.302 1.00 0.00 O ATOM 1944 CB VAL A 627 4.268 0.450 7.814 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.203 1.217 8.586 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.205 -1.026 8.157 1.00 0.00 C ATOM 0 H VAL A 627 5.891 -0.434 6.109 1.00 0.00 H new ATOM 0 HA VAL A 627 3.150 0.286 5.956 1.00 0.00 H new ATOM 0 HB VAL A 627 5.246 0.831 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.334 1.046 9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.297 2.282 8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.214 0.873 8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.317 -1.154 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.244 -1.432 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 627 5.009 -1.554 7.643 1.00 0.00 H new ATOM 1956 N ILE A 628 3.095 2.723 5.490 1.00 0.00 N ATOM 1957 CA ILE A 628 2.983 4.163 5.304 1.00 0.00 C ATOM 1958 C ILE A 628 1.892 4.734 6.185 1.00 0.00 C ATOM 1959 O ILE A 628 0.907 4.067 6.486 1.00 0.00 O ATOM 1960 CB ILE A 628 2.690 4.564 3.847 1.00 0.00 C ATOM 1961 CG1 ILE A 628 2.044 3.410 3.083 1.00 0.00 C ATOM 1962 CG2 ILE A 628 3.958 5.038 3.163 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.535 3.794 1.716 1.00 0.00 C ATOM 0 H ILE A 628 2.279 2.194 5.181 1.00 0.00 H new ATOM 0 HA ILE A 628 3.955 4.572 5.580 1.00 0.00 H new ATOM 0 HB ILE A 628 1.980 5.391 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.771 2.605 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 628 1.215 3.016 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.733 5.318 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.357 5.902 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.696 4.236 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 628 1.090 2.923 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.783 4.577 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.363 4.160 1.109 1.00 0.00 H new ATOM 1975 N THR A 629 2.072 5.973 6.583 1.00 0.00 N ATOM 1976 CA THR A 629 1.118 6.641 7.440 1.00 0.00 C ATOM 1977 C THR A 629 0.156 7.501 6.620 1.00 0.00 C ATOM 1978 O THR A 629 -0.653 8.244 7.175 1.00 0.00 O ATOM 1979 CB THR A 629 1.858 7.517 8.464 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.857 8.297 7.791 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.515 6.653 9.534 1.00 0.00 C ATOM 0 H THR A 629 2.877 6.543 6.324 1.00 0.00 H new ATOM 0 HA THR A 629 0.538 5.882 7.964 1.00 0.00 H new ATOM 0 HB THR A 629 1.138 8.178 8.947 1.00 0.00 H new ATOM 0 HG1 THR A 629 3.328 8.857 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 629 3.034 7.291 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.752 6.073 10.052 1.00 0.00 H new ATOM 0 HG23 THR A 629 3.230 5.976 9.067 1.00 0.00 H new ATOM 1989 N ASN A 630 0.245 7.394 5.293 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.626 8.164 4.404 1.00 0.00 C ATOM 1991 C ASN A 630 -1.115 7.320 3.233 1.00 0.00 C ATOM 1992 O ASN A 630 -0.482 6.335 2.855 1.00 0.00 O ATOM 1993 CB ASN A 630 0.094 9.408 3.874 1.00 0.00 C ATOM 1994 CG ASN A 630 0.146 10.534 4.892 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -0.726 11.402 4.921 1.00 0.00 O ATOM 1996 ND2 ASN A 630 1.166 10.527 5.736 1.00 0.00 N ATOM 0 H ASN A 630 0.908 6.785 4.813 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.490 8.475 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 630 1.110 9.139 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -0.412 9.760 2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 630 1.249 11.259 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 630 1.869 9.790 5.680 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.257 7.707 2.675 1.00 0.00 N ATOM 2004 CA VAL A 631 -2.805 7.049 1.505 1.00 0.00 C ATOM 2005 C VAL A 631 -2.212 7.683 0.248 1.00 0.00 C ATOM 2006 O VAL A 631 -1.764 8.825 0.283 1.00 0.00 O ATOM 2007 CB VAL A 631 -4.349 7.141 1.504 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -4.944 6.434 0.302 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -4.910 6.552 2.790 1.00 0.00 C ATOM 0 H VAL A 631 -2.823 8.482 3.022 1.00 0.00 H new ATOM 0 HA VAL A 631 -2.541 5.992 1.524 1.00 0.00 H new ATOM 0 HB VAL A 631 -4.623 8.194 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -6.030 6.518 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.570 6.894 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -4.660 5.382 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -5.998 6.622 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -4.615 5.506 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -4.520 7.106 3.644 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.218 6.952 -0.854 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.457 7.342 -2.027 1.00 0.00 C ATOM 2021 C LEU A 632 -2.382 7.650 -3.197 1.00 0.00 C ATOM 2022 O LEU A 632 -3.447 7.048 -3.332 1.00 0.00 O ATOM 2023 CB LEU A 632 -0.488 6.217 -2.400 1.00 0.00 C ATOM 2024 CG LEU A 632 0.383 5.704 -1.251 1.00 0.00 C ATOM 2025 CD1 LEU A 632 1.182 4.487 -1.693 1.00 0.00 C ATOM 2026 CD2 LEU A 632 1.305 6.805 -0.744 1.00 0.00 C ATOM 0 H LEU A 632 -2.743 6.084 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 632 -0.894 8.247 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -1.062 5.382 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 632 0.163 6.569 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.268 5.405 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 632 1.796 4.134 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.499 3.695 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.824 4.758 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.916 6.421 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.952 7.140 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.708 7.644 -0.386 1.00 0.00 H new