USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 977 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: B 676 LYS NZ :NH3+ 177:sc= 2.31 (180deg=1.02) USER MOD Set 1.2: B 678 SER OG : rot 180:sc= -0.68! USER MOD Set 2.1: B 660 SER OG : rot 155:sc= 1.39 USER MOD Set 2.2: B 666 THR OG1 : rot 77:sc= 1.32 USER MOD Single : A 38 HIS : no HE2:sc= -0.61 K(o=-0.61,f=-1.4) USER MOD Single : A 39 SER OG : rot 62:sc= 1.41 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -140:sc= -0.0372 (180deg=-1.44) USER MOD Single : B 577 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.06) USER MOD Single : B 579 SER OG : rot 101:sc= 1.23 USER MOD Single : B 582 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : B 585 ASN : amide:sc= -0.692 K(o=-0.69,f=-12!) USER MOD Single : B 589 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.16) USER MOD Single : B 590 LYS NZ :NH3+ 154:sc= 0.9 (180deg=0.458) USER MOD Single : B 595 LYS NZ :NH3+ 170:sc= -0.0384 (180deg=-0.189) USER MOD Single : B 596 THR OG1 : rot -141:sc= -1.35! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 87:sc= -1.08! USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot -83:sc= 0.0922 USER MOD Single : B 614 SER OG : rot 180:sc= 0 USER MOD Single : B 615 THR OG1 : rot 180:sc= 0 USER MOD Single : B 622 SER OG : rot 180:sc= -0.0527 USER MOD Single : B 623 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 631 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.4!) USER MOD Single : B 637 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.18) USER MOD Single : B 640 GLN : amide:sc= 1.07 K(o=1.1,f=-0.43) USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -8.72! C(o=-17!,f=-8.7!) USER MOD Single : B 659 SER OG : rot 180:sc= -1.8! USER MOD Single : B 661 CYS SG : rot 80:sc= 0.118 USER MOD Single : B 662 CYS SG : rot 45:sc= 0.307 USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN : amide:sc= -2.29! C(o=-2.3!,f=-7.3!) USER MOD Single : B 674 CYS SG : rot 52:sc= -2.28! USER MOD Single : B 675 SER OG : rot 75:sc= 0.00127 USER MOD Single : B 683 CYS SG : rot 136:sc= -4.43! USER MOD Single : B 685 SER OG : rot 180:sc= -0.311 USER MOD Single : B 687 THR OG1 : rot -130:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -15.146 -3.462 -5.259 1.00 0.00 N ATOM 20 CA PHE A 35 -13.911 -3.512 -6.029 1.00 0.00 C ATOM 21 C PHE A 35 -12.989 -4.610 -5.523 1.00 0.00 C ATOM 22 O PHE A 35 -12.971 -4.910 -4.325 1.00 0.00 O ATOM 23 CB PHE A 35 -13.189 -2.163 -5.966 1.00 0.00 C ATOM 24 CG PHE A 35 -13.784 -1.124 -6.872 1.00 0.00 C ATOM 25 CD1 PHE A 35 -15.106 -0.755 -6.741 1.00 0.00 C ATOM 26 CD2 PHE A 35 -13.017 -0.517 -7.852 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.659 0.199 -7.568 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.564 0.439 -8.684 1.00 0.00 C ATOM 29 CZ PHE A 35 -14.887 0.797 -8.542 1.00 0.00 C ATOM 0 HA PHE A 35 -14.174 -3.733 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -13.211 -1.795 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.141 -2.308 -6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.716 -1.219 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.980 -0.795 -7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.696 0.478 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.956 0.906 -9.445 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.318 1.544 -9.192 1.00 0.00 H new ATOM 39 N PRO A 36 -12.229 -5.237 -6.441 1.00 0.00 N ATOM 40 CA PRO A 36 -11.177 -6.190 -6.081 1.00 0.00 C ATOM 41 C PRO A 36 -10.159 -5.535 -5.160 1.00 0.00 C ATOM 42 O PRO A 36 -9.794 -4.372 -5.358 1.00 0.00 O ATOM 43 CB PRO A 36 -10.536 -6.555 -7.424 1.00 0.00 C ATOM 44 CG PRO A 36 -11.572 -6.236 -8.445 1.00 0.00 C ATOM 45 CD PRO A 36 -12.345 -5.069 -7.901 1.00 0.00 C ATOM 0 HA PRO A 36 -11.558 -7.061 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.624 -5.983 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.261 -7.609 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.113 -5.988 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.226 -7.091 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.925 -4.119 -8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.385 -5.088 -8.227 1.00 0.00 H new ATOM 53 N TRP A 37 -9.711 -6.284 -4.158 1.00 0.00 N ATOM 54 CA TRP A 37 -8.938 -5.724 -3.059 1.00 0.00 C ATOM 55 C TRP A 37 -7.663 -5.007 -3.510 1.00 0.00 C ATOM 56 O TRP A 37 -7.180 -4.115 -2.805 1.00 0.00 O ATOM 57 CB TRP A 37 -8.627 -6.786 -2.005 1.00 0.00 C ATOM 58 CG TRP A 37 -8.011 -8.045 -2.533 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.633 -9.023 -3.250 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.664 -8.479 -2.349 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.753 -10.034 -3.532 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.536 -9.723 -2.990 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.551 -7.934 -1.709 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.341 -10.431 -3.005 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.365 -8.636 -1.729 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.269 -9.875 -2.372 1.00 0.00 C ATOM 0 H TRP A 37 -9.873 -7.289 -4.086 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.571 -4.959 -2.609 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.954 -6.354 -1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.551 -7.042 -1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.670 -9.004 -3.552 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.969 -10.880 -4.059 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.617 -6.980 -1.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.264 -11.388 -3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.495 -8.223 -1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.326 -10.402 -2.367 1.00 0.00 H new ATOM 77 N HIS A 38 -7.101 -5.381 -4.661 1.00 0.00 N ATOM 78 CA HIS A 38 -6.034 -4.587 -5.252 1.00 0.00 C ATOM 79 C HIS A 38 -6.617 -3.296 -5.830 1.00 0.00 C ATOM 80 O HIS A 38 -6.734 -3.128 -7.044 1.00 0.00 O ATOM 81 CB HIS A 38 -5.284 -5.373 -6.335 1.00 0.00 C ATOM 82 CG HIS A 38 -4.217 -4.577 -7.035 1.00 0.00 C ATOM 83 ND1 HIS A 38 -4.277 -4.254 -8.372 1.00 0.00 N ATOM 84 CD2 HIS A 38 -3.066 -4.034 -6.574 1.00 0.00 C ATOM 85 CE1 HIS A 38 -3.215 -3.546 -8.701 1.00 0.00 C ATOM 86 NE2 HIS A 38 -2.461 -3.394 -7.628 1.00 0.00 N ATOM 0 H HIS A 38 -7.363 -6.213 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.314 -4.340 -4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.829 -6.253 -5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -6.001 -5.730 -7.074 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.027 -4.521 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.692 -4.093 -5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.998 -3.155 -9.684 1.00 0.00 H new ATOM 95 N SER A 39 -7.019 -2.414 -4.941 1.00 0.00 N ATOM 96 CA SER A 39 -7.570 -1.128 -5.322 1.00 0.00 C ATOM 97 C SER A 39 -6.829 -0.013 -4.589 1.00 0.00 C ATOM 98 O SER A 39 -6.792 1.133 -5.029 1.00 0.00 O ATOM 99 CB SER A 39 -9.065 -1.107 -4.986 1.00 0.00 C ATOM 100 OG SER A 39 -9.660 0.125 -5.330 1.00 0.00 O ATOM 0 H SER A 39 -6.974 -2.566 -3.933 1.00 0.00 H new ATOM 0 HA SER A 39 -7.447 -0.969 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.569 -1.915 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.201 -1.292 -3.920 1.00 0.00 H new ATOM 0 HG SER A 39 -9.591 0.263 -6.298 1.00 0.00 H new ATOM 106 N LEU A 40 -6.216 -0.380 -3.476 1.00 0.00 N ATOM 107 CA LEU A 40 -5.519 0.565 -2.613 1.00 0.00 C ATOM 108 C LEU A 40 -4.078 0.117 -2.427 1.00 0.00 C ATOM 109 O LEU A 40 -3.156 0.927 -2.471 1.00 0.00 O ATOM 110 CB LEU A 40 -6.225 0.646 -1.257 1.00 0.00 C ATOM 111 CG LEU A 40 -7.354 -0.374 -1.061 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.553 -0.680 0.407 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.657 0.140 -1.665 1.00 0.00 C ATOM 0 H LEU A 40 -6.186 -1.344 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.528 1.553 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.486 0.505 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.634 1.649 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.067 -1.292 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.358 -1.405 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.632 -1.092 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.812 0.236 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.444 -0.599 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.939 1.074 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.520 0.312 -2.733 1.00 0.00 H new ATOM 125 N VAL A 41 -3.895 -1.188 -2.235 1.00 0.00 N ATOM 126 CA VAL A 41 -2.581 -1.763 -2.052 1.00 0.00 C ATOM 127 C VAL A 41 -1.741 -1.645 -3.325 1.00 0.00 C ATOM 128 O VAL A 41 -2.134 -2.117 -4.393 1.00 0.00 O ATOM 129 CB VAL A 41 -2.683 -3.245 -1.620 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.395 -4.095 -2.671 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.309 -3.802 -1.324 1.00 0.00 C ATOM 0 H VAL A 41 -4.656 -1.867 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.085 -1.200 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.283 -3.284 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.446 -5.129 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.404 -3.714 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.843 -4.050 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.397 -4.845 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.689 -3.734 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.849 -3.228 -0.519 1.00 0.00 H new ATOM 141 N PRO A 42 -0.593 -0.970 -3.234 1.00 0.00 N ATOM 142 CA PRO A 42 0.352 -0.883 -4.325 1.00 0.00 C ATOM 143 C PRO A 42 1.429 -1.954 -4.224 1.00 0.00 C ATOM 144 O PRO A 42 1.337 -2.878 -3.412 1.00 0.00 O ATOM 145 CB PRO A 42 0.950 0.505 -4.120 1.00 0.00 C ATOM 146 CG PRO A 42 0.925 0.721 -2.639 1.00 0.00 C ATOM 147 CD PRO A 42 -0.126 -0.207 -2.067 1.00 0.00 C ATOM 0 HA PRO A 42 -0.105 -1.033 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.966 0.559 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.369 1.266 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.902 0.511 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.689 1.759 -2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.292 -0.862 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.940 0.349 -1.601 1.00 0.00 H new ATOM 155 N PHE A 43 2.439 -1.830 -5.058 1.00 0.00 N ATOM 156 CA PHE A 43 3.589 -2.710 -5.005 1.00 0.00 C ATOM 157 C PHE A 43 4.841 -1.920 -5.336 1.00 0.00 C ATOM 158 O PHE A 43 4.910 -1.257 -6.371 1.00 0.00 O ATOM 159 CB PHE A 43 3.414 -3.910 -5.951 1.00 0.00 C ATOM 160 CG PHE A 43 2.775 -3.588 -7.275 1.00 0.00 C ATOM 161 CD1 PHE A 43 3.538 -3.176 -8.355 1.00 0.00 C ATOM 162 CD2 PHE A 43 1.405 -3.715 -7.437 1.00 0.00 C ATOM 163 CE1 PHE A 43 2.946 -2.893 -9.571 1.00 0.00 C ATOM 164 CE2 PHE A 43 0.807 -3.433 -8.649 1.00 0.00 C ATOM 165 CZ PHE A 43 1.579 -3.022 -9.718 1.00 0.00 C ATOM 0 H PHE A 43 2.487 -1.120 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 43 3.684 -3.113 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.392 -4.354 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.811 -4.665 -5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.608 -3.075 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.797 -4.039 -6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.552 -2.571 -10.405 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.262 -3.534 -8.761 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.114 -2.802 -10.668 1.00 0.00 H new ATOM 300 N LEU B 571 -18.149 9.831 -3.048 1.00 0.00 N ATOM 301 CA LEU B 571 -16.841 9.875 -3.662 1.00 0.00 C ATOM 302 C LEU B 571 -16.558 8.540 -4.366 1.00 0.00 C ATOM 303 O LEU B 571 -17.299 7.579 -4.155 1.00 0.00 O ATOM 304 CB LEU B 571 -15.772 10.229 -2.613 1.00 0.00 C ATOM 305 CG LEU B 571 -15.295 9.103 -1.693 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.319 9.647 -0.663 1.00 0.00 C ATOM 307 CD2 LEU B 571 -16.464 8.430 -1.012 1.00 0.00 C ATOM 0 HA LEU B 571 -16.811 10.658 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -14.903 10.628 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -16.164 11.032 -1.989 1.00 0.00 H new ATOM 0 HG LEU B 571 -14.784 8.356 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -13.986 8.837 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -13.458 10.082 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -14.812 10.413 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -16.098 7.634 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -17.008 9.162 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -17.130 8.008 -1.765 1.00 0.00 H new ATOM 319 N PRO B 572 -15.525 8.461 -5.232 1.00 0.00 N ATOM 320 CA PRO B 572 -15.240 7.247 -6.009 1.00 0.00 C ATOM 321 C PRO B 572 -15.190 5.974 -5.156 1.00 0.00 C ATOM 322 O PRO B 572 -14.627 5.957 -4.066 1.00 0.00 O ATOM 323 CB PRO B 572 -13.878 7.526 -6.639 1.00 0.00 C ATOM 324 CG PRO B 572 -13.761 9.009 -6.683 1.00 0.00 C ATOM 325 CD PRO B 572 -14.573 9.544 -5.538 1.00 0.00 C ATOM 0 HA PRO B 572 -16.029 7.054 -6.735 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.074 7.086 -6.049 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.812 7.097 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.719 9.317 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.129 9.398 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.944 9.776 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.090 10.463 -5.812 1.00 0.00 H new ATOM 333 N PRO B 573 -15.792 4.892 -5.661 1.00 0.00 N ATOM 334 CA PRO B 573 -15.903 3.608 -4.953 1.00 0.00 C ATOM 335 C PRO B 573 -14.633 2.763 -5.032 1.00 0.00 C ATOM 336 O PRO B 573 -14.585 1.647 -4.514 1.00 0.00 O ATOM 337 CB PRO B 573 -17.027 2.919 -5.707 1.00 0.00 C ATOM 338 CG PRO B 573 -16.853 3.398 -7.100 1.00 0.00 C ATOM 339 CD PRO B 573 -16.417 4.830 -6.990 1.00 0.00 C ATOM 0 HA PRO B 573 -16.076 3.747 -3.886 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.947 1.834 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -18.004 3.191 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -16.108 2.802 -7.628 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.784 3.315 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.713 5.098 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.261 5.515 -7.070 1.00 0.00 H new ATOM 347 N TYR B 574 -13.635 3.285 -5.729 1.00 0.00 N ATOM 348 CA TYR B 574 -12.363 2.582 -5.917 1.00 0.00 C ATOM 349 C TYR B 574 -11.638 2.321 -4.598 1.00 0.00 C ATOM 350 O TYR B 574 -11.781 1.250 -4.009 1.00 0.00 O ATOM 351 CB TYR B 574 -11.479 3.358 -6.896 1.00 0.00 C ATOM 352 CG TYR B 574 -10.216 2.650 -7.342 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.278 1.452 -8.038 1.00 0.00 C ATOM 354 CD2 TYR B 574 -8.963 3.190 -7.086 1.00 0.00 C ATOM 355 CE1 TYR B 574 -9.131 0.809 -8.460 1.00 0.00 C ATOM 356 CE2 TYR B 574 -7.811 2.556 -7.507 1.00 0.00 C ATOM 357 CZ TYR B 574 -7.900 1.365 -8.193 1.00 0.00 C ATOM 358 OH TYR B 574 -6.754 0.730 -8.618 1.00 0.00 O ATOM 0 H TYR B 574 -13.677 4.199 -6.179 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.584 1.602 -6.340 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -12.071 3.598 -7.779 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.199 4.304 -6.433 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -11.241 1.014 -8.254 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -8.888 4.123 -6.548 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -9.199 -0.126 -8.997 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -6.845 2.992 -7.299 1.00 0.00 H new ATOM 0 HH TYR B 574 -5.971 1.254 -8.350 1.00 0.00 H new ATOM 368 N PHE B 575 -10.855 3.280 -4.139 1.00 0.00 N ATOM 369 CA PHE B 575 -10.099 3.103 -2.909 1.00 0.00 C ATOM 370 C PHE B 575 -10.433 4.215 -1.933 1.00 0.00 C ATOM 371 O PHE B 575 -9.898 4.276 -0.827 1.00 0.00 O ATOM 372 CB PHE B 575 -8.598 3.094 -3.211 1.00 0.00 C ATOM 373 CG PHE B 575 -7.984 4.459 -3.296 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.376 5.355 -4.275 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.026 4.849 -2.377 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.822 6.612 -4.337 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.472 6.108 -2.432 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.871 6.988 -3.415 1.00 0.00 C ATOM 0 H PHE B 575 -10.725 4.184 -4.594 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.370 2.148 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.085 2.524 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.431 2.572 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -9.124 5.064 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.710 4.159 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -8.132 7.303 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -5.728 6.405 -1.708 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.436 7.976 -3.462 1.00 0.00 H new ATOM 388 N MET B 576 -11.326 5.090 -2.360 1.00 0.00 N ATOM 389 CA MET B 576 -11.706 6.248 -1.556 1.00 0.00 C ATOM 390 C MET B 576 -12.469 5.807 -0.312 1.00 0.00 C ATOM 391 O MET B 576 -12.878 4.651 -0.211 1.00 0.00 O ATOM 392 CB MET B 576 -12.569 7.205 -2.369 1.00 0.00 C ATOM 393 CG MET B 576 -11.945 7.655 -3.677 1.00 0.00 C ATOM 394 SD MET B 576 -10.528 8.734 -3.450 1.00 0.00 S ATOM 395 CE MET B 576 -10.160 9.159 -5.151 1.00 0.00 C ATOM 0 H MET B 576 -11.804 5.025 -3.259 1.00 0.00 H new ATOM 0 HA MET B 576 -10.794 6.762 -1.253 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.523 6.723 -2.583 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.785 8.084 -1.762 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.638 6.778 -4.246 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.697 8.174 -4.271 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.080 9.170 -5.298 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.609 8.421 -5.816 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.567 10.145 -5.376 1.00 0.00 H new ATOM 405 N LYS B 577 -12.676 6.726 0.621 1.00 0.00 N ATOM 406 CA LYS B 577 -13.346 6.405 1.879 1.00 0.00 C ATOM 407 C LYS B 577 -14.714 5.760 1.652 1.00 0.00 C ATOM 408 O LYS B 577 -15.458 6.137 0.746 1.00 0.00 O ATOM 409 CB LYS B 577 -13.530 7.662 2.728 1.00 0.00 C ATOM 410 CG LYS B 577 -14.069 7.368 4.120 1.00 0.00 C ATOM 411 CD LYS B 577 -14.558 8.625 4.813 1.00 0.00 C ATOM 412 CE LYS B 577 -15.188 8.304 6.160 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.204 7.749 7.128 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.390 7.701 0.533 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.707 5.692 2.400 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.573 8.177 2.817 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.212 8.342 2.217 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.887 6.651 4.049 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.288 6.902 4.721 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.724 9.313 4.954 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -15.286 9.132 4.180 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.632 9.209 6.575 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -15.998 7.588 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.610 7.768 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.976 6.768 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -13.337 8.322 7.109 1.00 0.00 H new ATOM 427 N GLY B 578 -15.021 4.766 2.471 1.00 0.00 N ATOM 428 CA GLY B 578 -16.344 4.180 2.480 1.00 0.00 C ATOM 429 C GLY B 578 -16.528 3.104 1.439 1.00 0.00 C ATOM 430 O GLY B 578 -17.503 2.355 1.491 1.00 0.00 O ATOM 0 H GLY B 578 -14.369 4.351 3.137 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.540 3.759 3.466 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.082 4.965 2.316 1.00 0.00 H new ATOM 434 N SER B 579 -15.596 3.021 0.503 1.00 0.00 N ATOM 435 CA SER B 579 -15.666 2.033 -0.558 1.00 0.00 C ATOM 436 C SER B 579 -15.621 0.622 0.014 1.00 0.00 C ATOM 437 O SER B 579 -14.915 0.357 0.990 1.00 0.00 O ATOM 438 CB SER B 579 -14.516 2.246 -1.535 1.00 0.00 C ATOM 439 OG SER B 579 -14.488 3.589 -1.987 1.00 0.00 O ATOM 0 H SER B 579 -14.779 3.630 0.458 1.00 0.00 H new ATOM 0 HA SER B 579 -16.612 2.153 -1.087 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.571 1.999 -1.052 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.624 1.573 -2.385 1.00 0.00 H new ATOM 0 HG SER B 579 -13.792 4.082 -1.504 1.00 0.00 H new ATOM 445 N ILE B 580 -16.394 -0.271 -0.580 1.00 0.00 N ATOM 446 CA ILE B 580 -16.424 -1.649 -0.143 1.00 0.00 C ATOM 447 C ILE B 580 -15.395 -2.454 -0.916 1.00 0.00 C ATOM 448 O ILE B 580 -15.469 -2.578 -2.144 1.00 0.00 O ATOM 449 CB ILE B 580 -17.828 -2.264 -0.303 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.827 -1.527 0.596 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.805 -3.748 0.027 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.440 -1.519 2.064 1.00 0.00 C ATOM 0 H ILE B 580 -17.009 -0.062 -1.367 1.00 0.00 H new ATOM 0 HA ILE B 580 -16.178 -1.676 0.918 1.00 0.00 H new ATOM 0 HB ILE B 580 -18.142 -2.154 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.923 -0.498 0.250 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.807 -1.991 0.491 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.806 -4.163 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -17.117 -4.260 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.475 -3.887 1.057 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -19.195 -0.979 2.636 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.373 -2.544 2.428 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.474 -1.028 2.183 1.00 0.00 H new ATOM 464 N ILE B 581 -14.422 -2.967 -0.191 1.00 0.00 N ATOM 465 CA ILE B 581 -13.310 -3.677 -0.788 1.00 0.00 C ATOM 466 C ILE B 581 -13.468 -5.174 -0.562 1.00 0.00 C ATOM 467 O ILE B 581 -13.668 -5.616 0.572 1.00 0.00 O ATOM 468 CB ILE B 581 -11.977 -3.202 -0.175 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.923 -1.672 -0.111 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.804 -3.733 -0.970 1.00 0.00 C ATOM 471 CD1 ILE B 581 -12.000 -0.985 -1.459 1.00 0.00 C ATOM 0 H ILE B 581 -14.380 -2.904 0.826 1.00 0.00 H new ATOM 0 HA ILE B 581 -13.302 -3.470 -1.858 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.915 -3.593 0.840 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.745 -1.318 0.511 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.998 -1.374 0.383 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.873 -3.386 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.825 -4.823 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.868 -3.373 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.955 0.095 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -11.163 -1.306 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.937 -1.249 -1.949 1.00 0.00 H new ATOM 483 N GLN B 582 -13.402 -5.949 -1.636 1.00 0.00 N ATOM 484 CA GLN B 582 -13.553 -7.393 -1.531 1.00 0.00 C ATOM 485 C GLN B 582 -12.211 -8.086 -1.547 1.00 0.00 C ATOM 486 O GLN B 582 -11.470 -8.012 -2.527 1.00 0.00 O ATOM 487 CB GLN B 582 -14.402 -7.941 -2.666 1.00 0.00 C ATOM 488 CG GLN B 582 -14.782 -9.405 -2.480 1.00 0.00 C ATOM 489 CD GLN B 582 -15.640 -9.931 -3.609 1.00 0.00 C ATOM 490 OE1 GLN B 582 -16.867 -9.828 -3.577 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.001 -10.520 -4.602 1.00 0.00 N ATOM 0 H GLN B 582 -13.246 -5.605 -2.583 1.00 0.00 H new ATOM 0 HA GLN B 582 -14.049 -7.591 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.310 -7.345 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.858 -7.830 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.875 -10.006 -2.408 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -15.317 -9.521 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -13.983 -10.583 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -15.525 -10.912 -5.384 1.00 0.00 H new ATOM 500 N LEU B 583 -11.923 -8.783 -0.470 1.00 0.00 N ATOM 501 CA LEU B 583 -10.669 -9.494 -0.337 1.00 0.00 C ATOM 502 C LEU B 583 -10.716 -10.817 -1.085 1.00 0.00 C ATOM 503 O LEU B 583 -11.785 -11.228 -1.537 1.00 0.00 O ATOM 504 CB LEU B 583 -10.366 -9.704 1.137 1.00 0.00 C ATOM 505 CG LEU B 583 -10.285 -8.412 1.942 1.00 0.00 C ATOM 506 CD1 LEU B 583 -10.034 -8.716 3.404 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.201 -7.505 1.374 1.00 0.00 C ATOM 0 H LEU B 583 -12.546 -8.873 0.333 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.869 -8.901 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -11.137 -10.342 1.569 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.421 -10.239 1.231 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.238 -7.888 1.867 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.979 -7.783 3.965 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.849 -9.326 3.794 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.094 -9.258 3.507 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.153 -6.586 1.958 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.239 -8.015 1.421 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.434 -7.265 0.337 1.00 0.00 H new ATOM 519 N ALA B 584 -9.575 -11.482 -1.224 1.00 0.00 N ATOM 520 CA ALA B 584 -9.504 -12.697 -2.033 1.00 0.00 C ATOM 521 C ALA B 584 -10.452 -13.770 -1.519 1.00 0.00 C ATOM 522 O ALA B 584 -11.093 -14.477 -2.301 1.00 0.00 O ATOM 523 CB ALA B 584 -8.092 -13.238 -2.074 1.00 0.00 C ATOM 0 H ALA B 584 -8.693 -11.205 -0.792 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.810 -12.426 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.066 -14.142 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.428 -12.490 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.763 -13.472 -1.062 1.00 0.00 H new ATOM 529 N ASN B 585 -10.556 -13.864 -0.201 1.00 0.00 N ATOM 530 CA ASN B 585 -11.393 -14.869 0.436 1.00 0.00 C ATOM 531 C ASN B 585 -12.871 -14.600 0.155 1.00 0.00 C ATOM 532 O ASN B 585 -13.703 -15.500 0.253 1.00 0.00 O ATOM 533 CB ASN B 585 -11.127 -14.907 1.944 1.00 0.00 C ATOM 534 CG ASN B 585 -11.485 -13.615 2.653 1.00 0.00 C ATOM 535 OD1 ASN B 585 -11.488 -12.537 2.059 1.00 0.00 O ATOM 536 ND2 ASN B 585 -11.761 -13.716 3.937 1.00 0.00 N ATOM 0 H ASN B 585 -10.067 -13.251 0.452 1.00 0.00 H new ATOM 0 HA ASN B 585 -11.141 -15.843 0.016 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.697 -15.725 2.385 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -10.073 -15.126 2.114 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.988 -12.881 4.477 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -11.747 -14.629 4.391 1.00 0.00 H new ATOM 543 N GLY B 586 -13.191 -13.363 -0.209 1.00 0.00 N ATOM 544 CA GLY B 586 -14.547 -13.036 -0.584 1.00 0.00 C ATOM 545 C GLY B 586 -15.268 -12.209 0.457 1.00 0.00 C ATOM 546 O GLY B 586 -16.491 -12.073 0.401 1.00 0.00 O ATOM 0 H GLY B 586 -12.534 -12.584 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.535 -12.491 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -15.103 -13.958 -0.755 1.00 0.00 H new ATOM 550 N GLU B 587 -14.532 -11.654 1.411 1.00 0.00 N ATOM 551 CA GLU B 587 -15.162 -10.862 2.458 1.00 0.00 C ATOM 552 C GLU B 587 -15.097 -9.382 2.106 1.00 0.00 C ATOM 553 O GLU B 587 -14.200 -8.941 1.381 1.00 0.00 O ATOM 554 CB GLU B 587 -14.534 -11.135 3.832 1.00 0.00 C ATOM 555 CG GLU B 587 -13.158 -10.535 4.036 1.00 0.00 C ATOM 556 CD GLU B 587 -12.658 -10.718 5.458 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.068 -9.942 6.348 1.00 0.00 O ATOM 558 OE2 GLU B 587 -11.862 -11.649 5.697 1.00 0.00 O1- ATOM 0 H GLU B 587 -13.518 -11.735 1.482 1.00 0.00 H new ATOM 0 HA GLU B 587 -16.209 -11.158 2.523 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -15.201 -10.749 4.603 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -14.469 -12.213 3.978 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -12.455 -10.998 3.343 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -13.188 -9.472 3.797 1.00 0.00 H new ATOM 565 N LEU B 588 -16.062 -8.627 2.606 1.00 0.00 N ATOM 566 CA LEU B 588 -16.215 -7.229 2.243 1.00 0.00 C ATOM 567 C LEU B 588 -15.974 -6.321 3.439 1.00 0.00 C ATOM 568 O LEU B 588 -16.645 -6.440 4.466 1.00 0.00 O ATOM 569 CB LEU B 588 -17.621 -7.005 1.696 1.00 0.00 C ATOM 570 CG LEU B 588 -18.002 -7.906 0.525 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.453 -7.691 0.136 1.00 0.00 C ATOM 572 CD2 LEU B 588 -17.085 -7.647 -0.657 1.00 0.00 C ATOM 0 H LEU B 588 -16.758 -8.965 3.271 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.475 -6.983 1.481 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.338 -7.158 2.502 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.712 -5.965 1.381 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.884 -8.945 0.833 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.706 -8.342 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -20.096 -7.925 0.985 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.601 -6.651 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.367 -8.296 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.174 -6.605 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -16.054 -7.853 -0.370 1.00 0.00 H new ATOM 584 N LYS B 589 -15.023 -5.411 3.302 1.00 0.00 N ATOM 585 CA LYS B 589 -14.683 -4.492 4.376 1.00 0.00 C ATOM 586 C LYS B 589 -14.621 -3.059 3.865 1.00 0.00 C ATOM 587 O LYS B 589 -14.586 -2.819 2.656 1.00 0.00 O ATOM 588 CB LYS B 589 -13.333 -4.869 4.978 1.00 0.00 C ATOM 589 CG LYS B 589 -13.319 -6.214 5.686 1.00 0.00 C ATOM 590 CD LYS B 589 -11.934 -6.561 6.205 1.00 0.00 C ATOM 591 CE LYS B 589 -11.430 -5.521 7.186 1.00 0.00 C ATOM 592 NZ LYS B 589 -12.254 -5.467 8.426 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.471 -5.289 2.453 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.459 -4.561 5.138 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.585 -4.881 4.185 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.035 -4.096 5.686 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.025 -6.196 6.516 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.655 -6.991 4.999 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -11.960 -7.537 6.690 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.240 -6.639 5.368 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -10.396 -5.744 7.449 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.433 -4.542 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -11.892 -4.719 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -13.243 -5.262 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -12.203 -6.383 8.917 1.00 0.00 H new ATOM 606 N LYS B 590 -14.612 -2.112 4.796 1.00 0.00 N ATOM 607 CA LYS B 590 -14.418 -0.709 4.459 1.00 0.00 C ATOM 608 C LYS B 590 -12.934 -0.424 4.304 1.00 0.00 C ATOM 609 O LYS B 590 -12.119 -0.999 5.028 1.00 0.00 O ATOM 610 CB LYS B 590 -15.010 0.204 5.535 1.00 0.00 C ATOM 611 CG LYS B 590 -16.523 0.210 5.576 1.00 0.00 C ATOM 612 CD LYS B 590 -17.106 1.193 4.580 1.00 0.00 C ATOM 613 CE LYS B 590 -18.612 1.265 4.716 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.209 2.313 3.844 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.737 -2.292 5.792 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.933 -0.507 3.520 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.632 -0.107 6.509 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.658 1.222 5.367 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.897 -0.791 5.361 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.859 0.467 6.581 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.674 2.181 4.741 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.842 0.891 3.567 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -19.044 0.297 4.464 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.871 1.469 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.193 2.060 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.190 3.228 4.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.662 2.384 2.962 1.00 0.00 H new ATOM 628 N VAL B 591 -12.596 0.455 3.372 1.00 0.00 N ATOM 629 CA VAL B 591 -11.202 0.683 2.976 1.00 0.00 C ATOM 630 C VAL B 591 -10.279 0.902 4.171 1.00 0.00 C ATOM 631 O VAL B 591 -9.221 0.282 4.272 1.00 0.00 O ATOM 632 CB VAL B 591 -11.063 1.911 2.059 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.711 1.910 1.368 1.00 0.00 C ATOM 634 CG2 VAL B 591 -12.183 1.973 1.046 1.00 0.00 C ATOM 0 H VAL B 591 -13.271 1.030 2.868 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.908 -0.224 2.448 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.133 2.803 2.682 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.631 2.786 0.724 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.920 1.937 2.117 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.611 1.007 0.766 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -12.054 2.852 0.415 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -12.164 1.076 0.427 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -13.140 2.036 1.565 1.00 0.00 H new ATOM 644 N GLU B 592 -10.691 1.772 5.080 1.00 0.00 N ATOM 645 CA GLU B 592 -9.817 2.208 6.161 1.00 0.00 C ATOM 646 C GLU B 592 -9.703 1.166 7.268 1.00 0.00 C ATOM 647 O GLU B 592 -8.857 1.287 8.153 1.00 0.00 O ATOM 648 CB GLU B 592 -10.315 3.530 6.743 1.00 0.00 C ATOM 649 CG GLU B 592 -11.687 3.440 7.389 1.00 0.00 C ATOM 650 CD GLU B 592 -12.221 4.796 7.792 1.00 0.00 C ATOM 651 OE1 GLU B 592 -12.737 5.520 6.914 1.00 0.00 O1- ATOM 652 OE2 GLU B 592 -12.116 5.148 8.984 1.00 0.00 O ATOM 0 H GLU B 592 -11.622 2.190 5.092 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.823 2.345 5.735 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -9.598 3.883 7.484 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.346 4.276 5.949 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.383 2.970 6.695 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -11.631 2.798 8.268 1.00 0.00 H new ATOM 659 N ASP B 593 -10.542 0.144 7.219 1.00 0.00 N ATOM 660 CA ASP B 593 -10.550 -0.869 8.266 1.00 0.00 C ATOM 661 C ASP B 593 -9.765 -2.093 7.824 1.00 0.00 C ATOM 662 O ASP B 593 -9.551 -3.027 8.595 1.00 0.00 O ATOM 663 CB ASP B 593 -11.984 -1.262 8.620 1.00 0.00 C ATOM 664 CG ASP B 593 -12.069 -2.002 9.939 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.120 -1.330 10.993 1.00 0.00 O1- ATOM 666 OD2 ASP B 593 -12.090 -3.252 9.933 1.00 0.00 O ATOM 0 H ASP B 593 -11.221 -0.007 6.473 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.075 -0.450 9.153 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.602 -0.366 8.668 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.393 -1.889 7.827 1.00 0.00 H new ATOM 671 N LEU B 594 -9.350 -2.082 6.572 1.00 0.00 N ATOM 672 CA LEU B 594 -8.521 -3.137 6.031 1.00 0.00 C ATOM 673 C LEU B 594 -7.167 -3.145 6.717 1.00 0.00 C ATOM 674 O LEU B 594 -6.446 -2.147 6.708 1.00 0.00 O ATOM 675 CB LEU B 594 -8.349 -2.933 4.533 1.00 0.00 C ATOM 676 CG LEU B 594 -9.643 -3.006 3.726 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.435 -2.425 2.351 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.119 -4.439 3.612 1.00 0.00 C ATOM 0 H LEU B 594 -9.578 -1.344 5.905 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.005 -4.098 6.209 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.885 -1.961 4.363 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.658 -3.686 4.155 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.404 -2.424 4.246 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.366 -2.484 1.787 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -9.129 -1.383 2.439 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.660 -2.988 1.832 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.042 -4.471 3.034 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.357 -5.037 3.112 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.301 -4.842 4.608 1.00 0.00 H new ATOM 690 N LYS B 595 -6.837 -4.263 7.327 1.00 0.00 N ATOM 691 CA LYS B 595 -5.571 -4.403 8.014 1.00 0.00 C ATOM 692 C LYS B 595 -4.661 -5.348 7.249 1.00 0.00 C ATOM 693 O LYS B 595 -5.109 -6.023 6.320 1.00 0.00 O ATOM 694 CB LYS B 595 -5.791 -4.896 9.442 1.00 0.00 C ATOM 695 CG LYS B 595 -6.549 -3.907 10.312 1.00 0.00 C ATOM 696 CD LYS B 595 -5.766 -2.618 10.509 1.00 0.00 C ATOM 697 CE LYS B 595 -6.566 -1.597 11.299 1.00 0.00 C ATOM 698 NZ LYS B 595 -6.963 -2.111 12.636 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.431 -5.092 7.361 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.088 -3.427 8.064 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.339 -5.838 9.413 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -4.824 -5.104 9.900 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -7.512 -3.682 9.853 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -6.756 -4.359 11.282 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -4.833 -2.834 11.030 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -5.499 -2.201 9.538 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -5.975 -0.689 11.421 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -7.459 -1.323 10.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -7.356 -1.334 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -7.681 -2.854 12.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -6.130 -2.505 13.118 1.00 0.00 H new ATOM 712 N THR B 596 -3.393 -5.396 7.621 1.00 0.00 N ATOM 713 CA THR B 596 -2.407 -6.114 6.828 1.00 0.00 C ATOM 714 C THR B 596 -2.756 -7.596 6.689 1.00 0.00 C ATOM 715 O THR B 596 -2.672 -8.155 5.595 1.00 0.00 O ATOM 716 CB THR B 596 -0.987 -5.949 7.403 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.051 -6.611 6.559 1.00 0.00 O ATOM 718 CG2 THR B 596 -0.883 -6.511 8.809 1.00 0.00 C ATOM 0 H THR B 596 -3.023 -4.950 8.461 1.00 0.00 H new ATOM 0 HA THR B 596 -2.426 -5.670 5.833 1.00 0.00 H new ATOM 0 HB THR B 596 -0.766 -4.883 7.448 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.633 -7.048 7.108 1.00 0.00 H new ATOM 0 HG21 THR B 596 0.133 -6.376 9.180 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.581 -5.988 9.463 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.126 -7.573 8.795 1.00 0.00 H new ATOM 726 N GLU B 597 -3.202 -8.211 7.782 1.00 0.00 N ATOM 727 CA GLU B 597 -3.502 -9.637 7.795 1.00 0.00 C ATOM 728 C GLU B 597 -4.599 -9.978 6.797 1.00 0.00 C ATOM 729 O GLU B 597 -4.636 -11.085 6.260 1.00 0.00 O ATOM 730 CB GLU B 597 -3.894 -10.083 9.196 1.00 0.00 C ATOM 731 CG GLU B 597 -2.781 -9.902 10.212 1.00 0.00 C ATOM 732 CD GLU B 597 -3.198 -10.304 11.606 1.00 0.00 C ATOM 733 OE1 GLU B 597 -3.798 -9.469 12.315 1.00 0.00 O ATOM 734 OE2 GLU B 597 -2.918 -11.451 12.005 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.363 -7.740 8.672 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.602 -10.174 7.497 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -4.768 -9.518 9.519 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.185 -11.133 9.168 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -1.918 -10.495 9.910 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.465 -8.859 10.218 1.00 0.00 H new ATOM 741 N ASP B 598 -5.480 -9.016 6.544 1.00 0.00 N ATOM 742 CA ASP B 598 -6.556 -9.202 5.581 1.00 0.00 C ATOM 743 C ASP B 598 -5.973 -9.441 4.195 1.00 0.00 C ATOM 744 O ASP B 598 -6.353 -10.385 3.499 1.00 0.00 O ATOM 745 CB ASP B 598 -7.490 -7.985 5.548 1.00 0.00 C ATOM 746 CG ASP B 598 -8.206 -7.745 6.864 1.00 0.00 C ATOM 747 OD1 ASP B 598 -9.202 -8.441 7.147 1.00 0.00 O1- ATOM 748 OD2 ASP B 598 -7.777 -6.857 7.627 1.00 0.00 O ATOM 0 H ASP B 598 -5.469 -8.100 6.993 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.139 -10.070 5.888 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.911 -7.098 5.290 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.230 -8.124 4.759 1.00 0.00 H new ATOM 753 N PHE B 599 -5.033 -8.588 3.806 1.00 0.00 N ATOM 754 CA PHE B 599 -4.382 -8.713 2.508 1.00 0.00 C ATOM 755 C PHE B 599 -3.420 -9.888 2.494 1.00 0.00 C ATOM 756 O PHE B 599 -3.318 -10.594 1.489 1.00 0.00 O ATOM 757 CB PHE B 599 -3.665 -7.419 2.108 1.00 0.00 C ATOM 758 CG PHE B 599 -4.618 -6.337 1.674 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.734 -6.025 2.433 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.407 -5.650 0.493 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.621 -5.051 2.020 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.291 -4.671 0.078 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.399 -4.372 0.841 1.00 0.00 C ATOM 0 H PHE B 599 -4.705 -7.804 4.370 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.162 -8.899 1.769 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.074 -7.060 2.951 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.968 -7.630 1.297 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.912 -6.550 3.360 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.542 -5.880 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.489 -4.821 2.621 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.113 -4.140 -0.845 1.00 0.00 H new ATOM 0 HZ PHE B 599 -7.091 -3.609 0.517 1.00 0.00 H new ATOM 773 N ILE B 600 -2.720 -10.095 3.610 1.00 0.00 N ATOM 774 CA ILE B 600 -1.833 -11.237 3.758 1.00 0.00 C ATOM 775 C ILE B 600 -2.558 -12.530 3.416 1.00 0.00 C ATOM 776 O ILE B 600 -2.155 -13.254 2.508 1.00 0.00 O ATOM 777 CB ILE B 600 -1.277 -11.307 5.193 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.297 -10.155 5.417 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.611 -12.650 5.462 1.00 0.00 C ATOM 780 CD1 ILE B 600 0.237 -10.063 6.827 1.00 0.00 C ATOM 0 H ILE B 600 -2.754 -9.481 4.424 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.001 -11.111 3.065 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.105 -11.211 5.895 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.541 -10.267 4.729 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.792 -9.217 5.166 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.229 -12.669 6.483 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.340 -13.450 5.333 1.00 0.00 H new ATOM 0 HG23 ILE B 600 0.213 -12.794 4.763 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.925 -9.220 6.901 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.591 -9.918 7.521 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.763 -10.984 7.078 1.00 0.00 H new ATOM 792 N GLN B 601 -3.652 -12.786 4.118 1.00 0.00 N ATOM 793 CA GLN B 601 -4.448 -13.975 3.884 1.00 0.00 C ATOM 794 C GLN B 601 -4.966 -14.006 2.459 1.00 0.00 C ATOM 795 O GLN B 601 -4.886 -15.031 1.797 1.00 0.00 O ATOM 796 CB GLN B 601 -5.610 -14.038 4.868 1.00 0.00 C ATOM 797 CG GLN B 601 -5.160 -14.317 6.285 1.00 0.00 C ATOM 798 CD GLN B 601 -6.299 -14.301 7.283 1.00 0.00 C ATOM 799 OE1 GLN B 601 -6.634 -13.259 7.847 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.896 -15.457 7.516 1.00 0.00 N ATOM 0 H GLN B 601 -4.008 -12.181 4.858 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.811 -14.846 4.036 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.154 -13.094 4.843 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.306 -14.815 4.553 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.668 -15.289 6.319 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.418 -13.574 6.577 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.588 -16.298 7.027 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.665 -15.508 8.184 1.00 0.00 H new ATOM 809 N SER B 602 -5.469 -12.875 1.984 1.00 0.00 N ATOM 810 CA SER B 602 -6.020 -12.797 0.639 1.00 0.00 C ATOM 811 C SER B 602 -5.018 -13.288 -0.406 1.00 0.00 C ATOM 812 O SER B 602 -5.339 -14.145 -1.230 1.00 0.00 O ATOM 813 CB SER B 602 -6.455 -11.367 0.321 1.00 0.00 C ATOM 814 OG SER B 602 -7.522 -10.965 1.157 1.00 0.00 O ATOM 0 H SER B 602 -5.507 -12.001 2.509 1.00 0.00 H new ATOM 0 HA SER B 602 -6.892 -13.450 0.601 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.611 -10.689 0.450 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.761 -11.300 -0.723 1.00 0.00 H new ATOM 0 HG SER B 602 -7.163 -10.600 1.993 1.00 0.00 H new ATOM 820 N ALA B 603 -3.801 -12.772 -0.350 1.00 0.00 N ATOM 821 CA ALA B 603 -2.779 -13.137 -1.320 1.00 0.00 C ATOM 822 C ALA B 603 -2.380 -14.604 -1.174 1.00 0.00 C ATOM 823 O ALA B 603 -2.051 -15.266 -2.153 1.00 0.00 O ATOM 824 CB ALA B 603 -1.569 -12.238 -1.162 1.00 0.00 C ATOM 0 H ALA B 603 -3.496 -12.101 0.355 1.00 0.00 H new ATOM 0 HA ALA B 603 -3.192 -13.002 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.810 -12.518 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.863 -11.201 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -1.163 -12.347 -0.156 1.00 0.00 H new ATOM 830 N GLU B 604 -2.422 -15.104 0.052 1.00 0.00 N ATOM 831 CA GLU B 604 -2.065 -16.487 0.340 1.00 0.00 C ATOM 832 C GLU B 604 -3.126 -17.462 -0.162 1.00 0.00 C ATOM 833 O GLU B 604 -2.805 -18.518 -0.709 1.00 0.00 O ATOM 834 CB GLU B 604 -1.862 -16.634 1.839 1.00 0.00 C ATOM 835 CG GLU B 604 -0.661 -15.857 2.329 1.00 0.00 C ATOM 836 CD GLU B 604 0.648 -16.524 1.963 1.00 0.00 C ATOM 837 OE1 GLU B 604 1.034 -16.479 0.776 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.302 -17.098 2.860 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.703 -14.566 0.872 1.00 0.00 H new ATOM 0 HA GLU B 604 -1.142 -16.731 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.754 -16.288 2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.737 -17.688 2.086 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.684 -14.853 1.906 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.720 -15.748 3.412 1.00 0.00 H new ATOM 845 N ILE B 605 -4.386 -17.092 0.021 1.00 0.00 N ATOM 846 CA ILE B 605 -5.510 -17.896 -0.449 1.00 0.00 C ATOM 847 C ILE B 605 -5.570 -17.873 -1.980 1.00 0.00 C ATOM 848 O ILE B 605 -6.232 -18.698 -2.611 1.00 0.00 O ATOM 849 CB ILE B 605 -6.838 -17.368 0.155 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.714 -17.292 1.682 1.00 0.00 C ATOM 851 CG2 ILE B 605 -8.012 -18.257 -0.237 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.825 -16.514 2.362 1.00 0.00 C ATOM 0 H ILE B 605 -4.659 -16.232 0.496 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.368 -18.926 -0.122 1.00 0.00 H new ATOM 0 HB ILE B 605 -7.028 -16.371 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.697 -18.305 2.084 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.758 -16.833 1.935 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.929 -17.863 0.201 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -8.107 -18.276 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.841 -19.269 0.130 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.660 -16.510 3.439 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.830 -15.489 1.992 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.784 -16.984 2.144 1.00 0.00 H new ATOM 901 N LEU B 609 -1.716 -14.349 -6.875 1.00 0.00 N ATOM 902 CA LEU B 609 -1.411 -13.188 -6.057 1.00 0.00 C ATOM 903 C LEU B 609 -0.474 -13.593 -4.929 1.00 0.00 C ATOM 904 O LEU B 609 -0.461 -14.756 -4.526 1.00 0.00 O ATOM 905 CB LEU B 609 -2.709 -12.607 -5.491 1.00 0.00 C ATOM 906 CG LEU B 609 -3.820 -12.405 -6.526 1.00 0.00 C ATOM 907 CD1 LEU B 609 -5.133 -12.053 -5.862 1.00 0.00 C ATOM 908 CD2 LEU B 609 -3.434 -11.320 -7.504 1.00 0.00 C ATOM 0 HA LEU B 609 -0.921 -12.427 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.077 -13.269 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.489 -11.648 -5.022 1.00 0.00 H new ATOM 0 HG LEU B 609 -3.950 -13.345 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -5.901 -11.916 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -5.428 -12.859 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -5.017 -11.130 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -4.233 -11.187 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -3.275 -10.385 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -2.516 -11.604 -8.018 1.00 0.00 H new ATOM 920 N LYS B 610 0.320 -12.651 -4.439 1.00 0.00 N ATOM 921 CA LYS B 610 1.232 -12.928 -3.332 1.00 0.00 C ATOM 922 C LYS B 610 1.667 -11.644 -2.635 1.00 0.00 C ATOM 923 O LYS B 610 1.641 -10.560 -3.227 1.00 0.00 O ATOM 924 CB LYS B 610 2.466 -13.692 -3.819 1.00 0.00 C ATOM 925 CG LYS B 610 3.247 -12.973 -4.899 1.00 0.00 C ATOM 926 CD LYS B 610 4.573 -13.655 -5.166 1.00 0.00 C ATOM 927 CE LYS B 610 5.321 -12.984 -6.301 1.00 0.00 C ATOM 928 NZ LYS B 610 6.685 -13.543 -6.470 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.353 -11.693 -4.787 1.00 0.00 H new ATOM 0 HA LYS B 610 0.691 -13.545 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.125 -13.877 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.153 -14.665 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.660 -12.943 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.421 -11.940 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS B 610 5.183 -13.634 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.402 -14.703 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS B 610 4.761 -13.107 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS B 610 5.388 -11.913 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 7.164 -13.058 -7.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 7.228 -13.403 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 6.620 -14.560 -6.679 1.00 0.00 H new ATOM 942 N ILE B 611 2.044 -11.785 -1.370 1.00 0.00 N ATOM 943 CA ILE B 611 2.566 -10.688 -0.569 1.00 0.00 C ATOM 944 C ILE B 611 4.085 -10.676 -0.635 1.00 0.00 C ATOM 945 O ILE B 611 4.717 -11.720 -0.805 1.00 0.00 O ATOM 946 CB ILE B 611 2.147 -10.845 0.911 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.628 -10.903 1.032 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.703 -9.723 1.771 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.051 -9.552 1.181 1.00 0.00 C ATOM 0 H ILE B 611 1.995 -12.672 -0.868 1.00 0.00 H new ATOM 0 HA ILE B 611 2.161 -9.758 -0.968 1.00 0.00 H new ATOM 0 HB ILE B 611 2.567 -11.783 1.275 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.226 -11.401 0.150 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.369 -11.521 1.892 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.388 -9.867 2.805 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.792 -9.730 1.719 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.329 -8.766 1.407 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.129 -9.693 1.260 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.317 -9.057 2.080 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.171 -8.935 0.310 1.00 0.00 H new ATOM 961 N ASP B 612 4.660 -9.501 -0.499 1.00 0.00 N ATOM 962 CA ASP B 612 6.104 -9.359 -0.435 1.00 0.00 C ATOM 963 C ASP B 612 6.480 -8.545 0.792 1.00 0.00 C ATOM 964 O ASP B 612 5.619 -7.935 1.430 1.00 0.00 O ATOM 965 CB ASP B 612 6.642 -8.675 -1.686 1.00 0.00 C ATOM 966 CG ASP B 612 8.058 -9.097 -2.025 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.956 -8.948 -1.172 1.00 0.00 O ATOM 968 OD2 ASP B 612 8.281 -9.568 -3.156 1.00 0.00 O1- ATOM 0 H ASP B 612 4.148 -8.622 -0.430 1.00 0.00 H new ATOM 0 HA ASP B 612 6.546 -10.353 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP B 612 5.989 -8.903 -2.528 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.614 -7.595 -1.544 1.00 0.00 H new ATOM 973 N SER B 613 7.758 -8.528 1.114 1.00 0.00 N ATOM 974 CA SER B 613 8.244 -7.834 2.286 1.00 0.00 C ATOM 975 C SER B 613 9.445 -6.966 1.927 1.00 0.00 C ATOM 976 O SER B 613 10.468 -7.467 1.458 1.00 0.00 O ATOM 977 CB SER B 613 8.621 -8.850 3.364 1.00 0.00 C ATOM 978 OG SER B 613 7.538 -9.727 3.628 1.00 0.00 O ATOM 0 H SER B 613 8.485 -8.994 0.572 1.00 0.00 H new ATOM 0 HA SER B 613 7.457 -7.185 2.670 1.00 0.00 H new ATOM 0 HB2 SER B 613 9.490 -9.424 3.042 1.00 0.00 H new ATOM 0 HB3 SER B 613 8.905 -8.329 4.278 1.00 0.00 H new ATOM 0 HG SER B 613 6.924 -9.306 4.266 1.00 0.00 H new ATOM 984 N SER B 614 9.320 -5.664 2.142 1.00 0.00 N ATOM 985 CA SER B 614 10.396 -4.737 1.828 1.00 0.00 C ATOM 986 C SER B 614 10.549 -3.670 2.921 1.00 0.00 C ATOM 987 O SER B 614 9.747 -2.744 3.016 1.00 0.00 O ATOM 988 CB SER B 614 10.117 -4.097 0.466 1.00 0.00 C ATOM 989 OG SER B 614 8.770 -3.661 0.369 1.00 0.00 O ATOM 0 H SER B 614 8.485 -5.227 2.532 1.00 0.00 H new ATOM 0 HA SER B 614 11.339 -5.283 1.784 1.00 0.00 H new ATOM 0 HB2 SER B 614 10.787 -3.251 0.315 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.327 -4.816 -0.326 1.00 0.00 H new ATOM 0 HG SER B 614 8.620 -3.255 -0.510 1.00 0.00 H new ATOM 995 N THR B 615 11.578 -3.810 3.749 1.00 0.00 N ATOM 996 CA THR B 615 11.822 -2.864 4.834 1.00 0.00 C ATOM 997 C THR B 615 12.389 -1.554 4.314 1.00 0.00 C ATOM 998 O THR B 615 13.541 -1.497 3.894 1.00 0.00 O ATOM 999 CB THR B 615 12.794 -3.444 5.883 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.212 -4.595 6.507 1.00 0.00 O ATOM 1001 CG2 THR B 615 13.156 -2.402 6.940 1.00 0.00 C ATOM 0 H THR B 615 12.257 -4.569 3.691 1.00 0.00 H new ATOM 0 HA THR B 615 10.856 -2.677 5.303 1.00 0.00 H new ATOM 0 HB THR B 615 13.710 -3.736 5.370 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.836 -4.958 7.170 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.842 -2.841 7.664 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.633 -1.548 6.460 1.00 0.00 H new ATOM 0 HG23 THR B 615 12.251 -2.072 7.451 1.00 0.00 H new ATOM 1009 N VAL B 616 11.578 -0.507 4.326 1.00 0.00 N ATOM 1010 CA VAL B 616 12.075 0.819 4.023 1.00 0.00 C ATOM 1011 C VAL B 616 13.185 1.201 5.002 1.00 0.00 C ATOM 1012 O VAL B 616 12.987 1.214 6.213 1.00 0.00 O ATOM 1013 CB VAL B 616 10.946 1.876 4.041 1.00 0.00 C ATOM 1014 CG1 VAL B 616 10.024 1.687 5.230 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.525 3.280 4.046 1.00 0.00 C ATOM 0 H VAL B 616 10.582 -0.552 4.541 1.00 0.00 H new ATOM 0 HA VAL B 616 12.482 0.798 3.012 1.00 0.00 H new ATOM 0 HB VAL B 616 10.357 1.740 3.134 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.243 2.447 5.210 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.568 0.698 5.184 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.597 1.780 6.153 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.714 4.008 4.059 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.147 3.414 4.931 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.131 3.427 3.152 1.00 0.00 H new ATOM 1025 N GLU B 617 14.362 1.466 4.467 1.00 0.00 N ATOM 1026 CA GLU B 617 15.505 1.838 5.278 1.00 0.00 C ATOM 1027 C GLU B 617 15.729 3.338 5.221 1.00 0.00 C ATOM 1028 O GLU B 617 16.408 3.904 6.077 1.00 0.00 O ATOM 1029 CB GLU B 617 16.763 1.103 4.829 1.00 0.00 C ATOM 1030 CG GLU B 617 16.621 -0.404 4.834 1.00 0.00 C ATOM 1031 CD GLU B 617 17.957 -1.114 4.840 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.619 -1.155 3.786 1.00 0.00 O1- ATOM 1033 OE2 GLU B 617 18.353 -1.634 5.905 1.00 0.00 O ATOM 0 H GLU B 617 14.552 1.430 3.465 1.00 0.00 H new ATOM 0 HA GLU B 617 15.292 1.550 6.307 1.00 0.00 H new ATOM 0 HB2 GLU B 617 17.026 1.431 3.823 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.590 1.383 5.482 1.00 0.00 H new ATOM 0 HG2 GLU B 617 16.048 -0.708 5.710 1.00 0.00 H new ATOM 0 HG3 GLU B 617 16.052 -0.715 3.957 1.00 0.00 H new ATOM 1040 N ARG B 618 15.167 3.979 4.205 1.00 0.00 N ATOM 1041 CA ARG B 618 15.338 5.411 4.036 1.00 0.00 C ATOM 1042 C ARG B 618 14.210 5.987 3.192 1.00 0.00 C ATOM 1043 O ARG B 618 13.653 5.305 2.331 1.00 0.00 O ATOM 1044 CB ARG B 618 16.692 5.701 3.385 1.00 0.00 C ATOM 1045 CG ARG B 618 16.960 7.178 3.139 1.00 0.00 C ATOM 1046 CD ARG B 618 18.285 7.386 2.433 1.00 0.00 C ATOM 1047 NE ARG B 618 18.577 8.800 2.206 1.00 0.00 N ATOM 1048 CZ ARG B 618 19.805 9.286 2.041 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.857 8.477 2.099 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 19.981 10.580 1.817 1.00 0.00 N ATOM 0 H ARG B 618 14.593 3.531 3.491 1.00 0.00 H new ATOM 0 HA ARG B 618 15.308 5.886 5.017 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.482 5.301 4.021 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.747 5.170 2.435 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.155 7.601 2.538 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.964 7.713 4.089 1.00 0.00 H new ATOM 0 HD2 ARG B 618 19.084 6.943 3.027 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.271 6.862 1.477 1.00 0.00 H new ATOM 0 HE ARG B 618 17.794 9.453 2.172 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.725 7.480 2.270 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.797 8.853 1.972 1.00 0.00 H new ATOM 0 HH21 ARG B 618 19.175 11.204 1.771 1.00 0.00 H new ATOM 0 HH22 ARG B 618 20.922 10.952 1.691 1.00 0.00 H new ATOM 1064 N ILE B 619 13.865 7.233 3.460 1.00 0.00 N ATOM 1065 CA ILE B 619 12.841 7.930 2.703 1.00 0.00 C ATOM 1066 C ILE B 619 13.353 9.296 2.277 1.00 0.00 C ATOM 1067 O ILE B 619 13.837 10.072 3.103 1.00 0.00 O ATOM 1068 CB ILE B 619 11.545 8.081 3.527 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.891 6.713 3.707 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.579 9.055 2.858 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.739 6.716 4.685 1.00 0.00 C ATOM 0 H ILE B 619 14.285 7.789 4.205 1.00 0.00 H new ATOM 0 HA ILE B 619 12.609 7.339 1.817 1.00 0.00 H new ATOM 0 HB ILE B 619 11.799 8.488 4.506 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.534 6.360 2.739 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.644 6.002 4.048 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.675 9.142 3.460 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.052 10.033 2.770 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.320 8.686 1.866 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.324 5.711 4.762 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.094 7.038 5.664 1.00 0.00 H new ATOM 0 HD13 ILE B 619 8.967 7.402 4.336 1.00 0.00 H new ATOM 1083 N GLU B 620 13.269 9.578 0.987 1.00 0.00 N ATOM 1084 CA GLU B 620 13.758 10.840 0.459 1.00 0.00 C ATOM 1085 C GLU B 620 12.643 11.580 -0.260 1.00 0.00 C ATOM 1086 O GLU B 620 11.875 10.985 -1.018 1.00 0.00 O ATOM 1087 CB GLU B 620 14.919 10.611 -0.509 1.00 0.00 C ATOM 1088 CG GLU B 620 15.985 9.665 0.015 1.00 0.00 C ATOM 1089 CD GLU B 620 17.165 9.557 -0.923 1.00 0.00 C ATOM 1090 OE1 GLU B 620 18.092 10.385 -0.818 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.167 8.654 -1.781 1.00 0.00 O ATOM 0 H GLU B 620 12.868 8.952 0.289 1.00 0.00 H new ATOM 0 HA GLU B 620 14.109 11.440 1.298 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.525 10.215 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.381 11.571 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.329 10.012 0.990 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.550 8.677 0.164 1.00 0.00 H new ATOM 1098 N ASP B 621 12.551 12.874 -0.016 1.00 0.00 N ATOM 1099 CA ASP B 621 11.571 13.704 -0.694 1.00 0.00 C ATOM 1100 C ASP B 621 12.068 14.046 -2.092 1.00 0.00 C ATOM 1101 O ASP B 621 13.239 14.388 -2.283 1.00 0.00 O ATOM 1102 CB ASP B 621 11.286 14.985 0.103 1.00 0.00 C ATOM 1103 CG ASP B 621 12.482 15.914 0.195 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.442 15.586 0.927 1.00 0.00 O ATOM 1105 OD2 ASP B 621 12.462 16.988 -0.447 1.00 0.00 O1- ATOM 0 H ASP B 621 13.143 13.374 0.647 1.00 0.00 H new ATOM 0 HA ASP B 621 10.638 13.146 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.457 15.517 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP B 621 10.967 14.715 1.109 1.00 0.00 H new ATOM 1110 N SER B 622 11.186 13.920 -3.066 1.00 0.00 N ATOM 1111 CA SER B 622 11.528 14.198 -4.448 1.00 0.00 C ATOM 1112 C SER B 622 11.129 15.624 -4.795 1.00 0.00 C ATOM 1113 O SER B 622 10.388 16.271 -4.052 1.00 0.00 O ATOM 1114 CB SER B 622 10.820 13.203 -5.373 1.00 0.00 C ATOM 1115 OG SER B 622 11.207 13.381 -6.725 1.00 0.00 O ATOM 0 H SER B 622 10.220 13.625 -2.923 1.00 0.00 H new ATOM 0 HA SER B 622 12.604 14.090 -4.583 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.051 12.185 -5.059 1.00 0.00 H new ATOM 0 HB3 SER B 622 9.741 13.327 -5.284 1.00 0.00 H new ATOM 0 HG SER B 622 10.739 12.730 -7.288 1.00 0.00 H new ATOM 1121 N HIS B 623 11.633 16.112 -5.915 1.00 0.00 N ATOM 1122 CA HIS B 623 11.349 17.468 -6.355 1.00 0.00 C ATOM 1123 C HIS B 623 10.137 17.479 -7.272 1.00 0.00 C ATOM 1124 O HIS B 623 9.706 18.531 -7.739 1.00 0.00 O ATOM 1125 CB HIS B 623 12.567 18.068 -7.061 1.00 0.00 C ATOM 1126 CG HIS B 623 13.766 18.185 -6.171 1.00 0.00 C ATOM 1127 ND1 HIS B 623 14.888 17.402 -6.315 1.00 0.00 N ATOM 1128 CD2 HIS B 623 14.008 18.991 -5.111 1.00 0.00 C ATOM 1129 CE1 HIS B 623 15.767 17.718 -5.384 1.00 0.00 C ATOM 1130 NE2 HIS B 623 15.259 18.681 -4.637 1.00 0.00 N ATOM 0 H HIS B 623 12.244 15.586 -6.540 1.00 0.00 H new ATOM 0 HA HIS B 623 11.127 18.080 -5.481 1.00 0.00 H new ATOM 0 HB2 HIS B 623 12.821 17.450 -7.922 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.308 19.056 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS B 623 13.340 19.740 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS B 623 16.739 17.265 -5.254 1.00 0.00 H new ATOM 0 HE2 HIS B 623 15.719 19.121 -3.840 1.00 0.00 H new ATOM 1139 N SER B 624 9.603 16.296 -7.531 1.00 0.00 N ATOM 1140 CA SER B 624 8.372 16.160 -8.281 1.00 0.00 C ATOM 1141 C SER B 624 7.181 16.361 -7.342 1.00 0.00 C ATOM 1142 O SER B 624 7.215 15.921 -6.191 1.00 0.00 O ATOM 1143 CB SER B 624 8.324 14.780 -8.937 1.00 0.00 C ATOM 1144 OG SER B 624 9.459 14.570 -9.763 1.00 0.00 O ATOM 0 H SER B 624 10.010 15.411 -7.228 1.00 0.00 H new ATOM 0 HA SER B 624 8.327 16.916 -9.065 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.282 14.009 -8.168 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.415 14.687 -9.531 1.00 0.00 H new ATOM 0 HG SER B 624 9.407 13.680 -10.170 1.00 0.00 H new ATOM 1150 N PRO B 625 6.129 17.050 -7.823 1.00 0.00 N ATOM 1151 CA PRO B 625 4.956 17.401 -7.011 1.00 0.00 C ATOM 1152 C PRO B 625 4.359 16.222 -6.264 1.00 0.00 C ATOM 1153 O PRO B 625 3.783 15.313 -6.864 1.00 0.00 O ATOM 1154 CB PRO B 625 3.949 17.930 -8.025 1.00 0.00 C ATOM 1155 CG PRO B 625 4.757 18.377 -9.194 1.00 0.00 C ATOM 1156 CD PRO B 625 6.011 17.544 -9.204 1.00 0.00 C ATOM 0 HA PRO B 625 5.229 18.116 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.238 17.155 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.370 18.755 -7.610 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.199 18.246 -10.121 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.998 19.437 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO B 625 5.937 16.722 -9.916 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.880 18.136 -9.490 1.00 0.00 H new ATOM 1164 N GLY B 626 4.489 16.268 -4.948 1.00 0.00 N ATOM 1165 CA GLY B 626 3.947 15.234 -4.097 1.00 0.00 C ATOM 1166 C GLY B 626 4.566 13.879 -4.360 1.00 0.00 C ATOM 1167 O GLY B 626 3.872 12.868 -4.349 1.00 0.00 O ATOM 0 H GLY B 626 4.969 17.017 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.108 15.506 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY B 626 2.869 15.172 -4.248 1.00 0.00 H new ATOM 1171 N VAL B 627 5.868 13.851 -4.608 1.00 0.00 N ATOM 1172 CA VAL B 627 6.567 12.595 -4.851 1.00 0.00 C ATOM 1173 C VAL B 627 7.664 12.364 -3.815 1.00 0.00 C ATOM 1174 O VAL B 627 8.376 13.292 -3.426 1.00 0.00 O ATOM 1175 CB VAL B 627 7.177 12.552 -6.273 1.00 0.00 C ATOM 1176 CG1 VAL B 627 7.944 11.257 -6.506 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.091 12.710 -7.325 1.00 0.00 C ATOM 0 H VAL B 627 6.461 14.680 -4.646 1.00 0.00 H new ATOM 0 HA VAL B 627 5.828 11.798 -4.765 1.00 0.00 H new ATOM 0 HB VAL B 627 7.877 13.383 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.360 11.257 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL B 627 8.752 11.177 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.269 10.409 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL B 627 6.539 12.677 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.368 11.900 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL B 627 5.586 13.666 -7.186 1.00 0.00 H new ATOM 1187 N ALA B 628 7.773 11.127 -3.358 1.00 0.00 N ATOM 1188 CA ALA B 628 8.829 10.723 -2.444 1.00 0.00 C ATOM 1189 C ALA B 628 9.315 9.335 -2.813 1.00 0.00 C ATOM 1190 O ALA B 628 8.520 8.447 -3.115 1.00 0.00 O ATOM 1191 CB ALA B 628 8.340 10.748 -1.002 1.00 0.00 C ATOM 0 H ALA B 628 7.132 10.375 -3.610 1.00 0.00 H new ATOM 0 HA ALA B 628 9.655 11.429 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.149 10.442 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.021 11.758 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.500 10.062 -0.891 1.00 0.00 H new ATOM 1197 N VAL B 629 10.617 9.154 -2.808 1.00 0.00 N ATOM 1198 CA VAL B 629 11.194 7.868 -3.135 1.00 0.00 C ATOM 1199 C VAL B 629 11.494 7.089 -1.873 1.00 0.00 C ATOM 1200 O VAL B 629 12.241 7.540 -0.999 1.00 0.00 O ATOM 1201 CB VAL B 629 12.458 8.003 -4.012 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.276 9.194 -3.569 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.297 6.729 -3.976 1.00 0.00 C ATOM 0 H VAL B 629 11.296 9.880 -2.581 1.00 0.00 H new ATOM 0 HA VAL B 629 10.458 7.318 -3.721 1.00 0.00 H new ATOM 0 HB VAL B 629 12.140 8.159 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.164 9.278 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.679 10.101 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.576 9.063 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.179 6.857 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.607 6.526 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.705 5.893 -4.348 1.00 0.00 H new ATOM 1213 N ILE B 630 10.874 5.933 -1.770 1.00 0.00 N ATOM 1214 CA ILE B 630 11.062 5.076 -0.632 1.00 0.00 C ATOM 1215 C ILE B 630 12.176 4.081 -0.927 1.00 0.00 C ATOM 1216 O ILE B 630 12.141 3.376 -1.938 1.00 0.00 O ATOM 1217 CB ILE B 630 9.769 4.317 -0.282 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.553 5.243 -0.346 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.886 3.708 1.101 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.599 6.377 0.649 1.00 0.00 C ATOM 0 H ILE B 630 10.230 5.567 -2.471 1.00 0.00 H new ATOM 0 HA ILE B 630 11.331 5.696 0.223 1.00 0.00 H new ATOM 0 HB ILE B 630 9.630 3.523 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.475 5.657 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.651 4.656 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.968 3.173 1.342 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.727 3.015 1.123 1.00 0.00 H new ATOM 0 HG23 ILE B 630 10.048 4.498 1.834 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.704 6.990 0.544 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.645 5.972 1.660 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.482 6.989 0.463 1.00 0.00 H new ATOM 1232 N GLN B 631 13.177 4.059 -0.067 1.00 0.00 N ATOM 1233 CA GLN B 631 14.297 3.149 -0.215 1.00 0.00 C ATOM 1234 C GLN B 631 14.045 1.903 0.615 1.00 0.00 C ATOM 1235 O GLN B 631 13.987 1.970 1.841 1.00 0.00 O ATOM 1236 CB GLN B 631 15.588 3.854 0.215 1.00 0.00 C ATOM 1237 CG GLN B 631 16.865 3.043 0.032 1.00 0.00 C ATOM 1238 CD GLN B 631 17.226 2.201 1.243 1.00 0.00 C ATOM 1239 OE1 GLN B 631 17.873 2.683 2.169 1.00 0.00 O ATOM 1240 NE2 GLN B 631 16.852 0.933 1.228 1.00 0.00 N ATOM 0 H GLN B 631 13.237 4.668 0.749 1.00 0.00 H new ATOM 0 HA GLN B 631 14.404 2.850 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.682 4.781 -0.350 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.499 4.129 1.266 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.751 2.390 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN B 631 17.689 3.722 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN B 631 16.315 0.569 0.441 1.00 0.00 H new ATOM 0 HE22 GLN B 631 17.100 0.319 2.004 1.00 0.00 H new ATOM 1249 N PHE B 632 13.887 0.777 -0.061 1.00 0.00 N ATOM 1250 CA PHE B 632 13.549 -0.479 0.593 1.00 0.00 C ATOM 1251 C PHE B 632 14.729 -1.427 0.627 1.00 0.00 C ATOM 1252 O PHE B 632 15.633 -1.334 -0.196 1.00 0.00 O ATOM 1253 CB PHE B 632 12.414 -1.176 -0.149 1.00 0.00 C ATOM 1254 CG PHE B 632 11.152 -0.380 -0.259 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.197 -0.438 0.738 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.909 0.406 -1.371 1.00 0.00 C ATOM 1257 CE1 PHE B 632 9.025 0.277 0.628 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.734 1.120 -1.486 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.790 1.055 -0.485 1.00 0.00 C ATOM 0 H PHE B 632 13.989 0.706 -1.073 1.00 0.00 H new ATOM 0 HA PHE B 632 13.251 -0.233 1.612 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.756 -1.428 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE B 632 12.191 -2.115 0.357 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.371 -1.049 1.611 1.00 0.00 H new ATOM 0 HD2 PHE B 632 11.647 0.461 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.288 0.228 1.416 1.00 0.00 H new ATOM 0 HE2 PHE B 632 9.555 1.729 -2.360 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.869 1.612 -0.572 1.00 0.00 H new ATOM 1269 N ALA B 633 14.707 -2.320 1.597 1.00 0.00 N ATOM 1270 CA ALA B 633 15.605 -3.455 1.641 1.00 0.00 C ATOM 1271 C ALA B 633 14.793 -4.727 1.454 1.00 0.00 C ATOM 1272 O ALA B 633 14.107 -5.177 2.373 1.00 0.00 O ATOM 1273 CB ALA B 633 16.349 -3.487 2.961 1.00 0.00 C ATOM 0 H ALA B 633 14.059 -2.277 2.383 1.00 0.00 H new ATOM 0 HA ALA B 633 16.343 -3.373 0.843 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.020 -4.346 2.980 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.928 -2.571 3.074 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.634 -3.568 3.780 1.00 0.00 H new ATOM 1279 N VAL B 634 14.843 -5.278 0.256 1.00 0.00 N ATOM 1280 CA VAL B 634 14.019 -6.423 -0.092 1.00 0.00 C ATOM 1281 C VAL B 634 14.648 -7.734 0.364 1.00 0.00 C ATOM 1282 O VAL B 634 15.813 -8.017 0.065 1.00 0.00 O ATOM 1283 CB VAL B 634 13.768 -6.486 -1.610 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.880 -7.671 -1.956 1.00 0.00 C ATOM 1285 CG2 VAL B 634 13.153 -5.185 -2.104 1.00 0.00 C ATOM 0 H VAL B 634 15.448 -4.950 -0.497 1.00 0.00 H new ATOM 0 HA VAL B 634 13.070 -6.292 0.427 1.00 0.00 H new ATOM 0 HB VAL B 634 14.725 -6.621 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.714 -7.699 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.366 -8.594 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.923 -7.570 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.983 -5.248 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL B 634 12.204 -5.015 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.831 -4.358 -1.892 1.00 0.00 H new ATOM 1295 N GLY B 635 13.868 -8.520 1.098 1.00 0.00 N ATOM 1296 CA GLY B 635 14.289 -9.847 1.495 1.00 0.00 C ATOM 1297 C GLY B 635 15.365 -9.835 2.559 1.00 0.00 C ATOM 1298 O GLY B 635 15.699 -8.788 3.116 1.00 0.00 O ATOM 0 H GLY B 635 12.940 -8.255 1.428 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.426 -10.400 1.866 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.658 -10.382 0.620 1.00 0.00 H new ATOM 1302 N GLU B 636 15.912 -11.006 2.836 1.00 0.00 N ATOM 1303 CA GLU B 636 16.968 -11.154 3.822 1.00 0.00 C ATOM 1304 C GLU B 636 18.293 -10.672 3.249 1.00 0.00 C ATOM 1305 O GLU B 636 19.225 -10.352 3.984 1.00 0.00 O ATOM 1306 CB GLU B 636 17.075 -12.610 4.239 1.00 0.00 C ATOM 1307 CG GLU B 636 15.789 -13.166 4.822 1.00 0.00 C ATOM 1308 CD GLU B 636 15.817 -14.670 4.921 1.00 0.00 C ATOM 1309 OE1 GLU B 636 15.431 -15.337 3.939 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 16.250 -15.192 5.966 1.00 0.00 O ATOM 0 H GLU B 636 15.637 -11.879 2.385 1.00 0.00 H new ATOM 0 HA GLU B 636 16.728 -10.549 4.696 1.00 0.00 H new ATOM 0 HB2 GLU B 636 17.361 -13.208 3.374 1.00 0.00 H new ATOM 0 HB3 GLU B 636 17.873 -12.712 4.975 1.00 0.00 H new ATOM 0 HG2 GLU B 636 15.626 -12.741 5.812 1.00 0.00 H new ATOM 0 HG3 GLU B 636 14.947 -12.859 4.201 1.00 0.00 H new ATOM 1317 N HIS B 637 18.360 -10.611 1.924 1.00 0.00 N ATOM 1318 CA HIS B 637 19.538 -10.102 1.235 1.00 0.00 C ATOM 1319 C HIS B 637 19.548 -8.575 1.278 1.00 0.00 C ATOM 1320 O HIS B 637 20.486 -7.925 0.820 1.00 0.00 O ATOM 1321 CB HIS B 637 19.567 -10.611 -0.215 1.00 0.00 C ATOM 1322 CG HIS B 637 20.767 -10.168 -1.002 1.00 0.00 C ATOM 1323 ND1 HIS B 637 22.042 -10.620 -0.748 1.00 0.00 N ATOM 1324 CD2 HIS B 637 20.878 -9.300 -2.035 1.00 0.00 C ATOM 1325 CE1 HIS B 637 22.886 -10.045 -1.586 1.00 0.00 C ATOM 1326 NE2 HIS B 637 22.205 -9.241 -2.379 1.00 0.00 N ATOM 0 H HIS B 637 17.608 -10.910 1.303 1.00 0.00 H new ATOM 0 HA HIS B 637 20.433 -10.466 1.740 1.00 0.00 H new ATOM 0 HB2 HIS B 637 19.535 -11.700 -0.206 1.00 0.00 H new ATOM 0 HB3 HIS B 637 18.666 -10.270 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS B 637 20.071 -8.755 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS B 637 23.953 -10.206 -1.616 1.00 0.00 H new ATOM 0 HE2 HIS B 637 22.600 -8.669 -3.126 1.00 0.00 H new ATOM 1335 N ARG B 638 18.465 -8.039 1.862 1.00 0.00 N ATOM 1336 CA ARG B 638 18.247 -6.609 2.084 1.00 0.00 C ATOM 1337 C ARG B 638 18.638 -5.775 0.876 1.00 0.00 C ATOM 1338 O ARG B 638 19.307 -4.750 0.997 1.00 0.00 O ATOM 1339 CB ARG B 638 18.964 -6.125 3.347 1.00 0.00 C ATOM 1340 CG ARG B 638 20.456 -6.354 3.340 1.00 0.00 C ATOM 1341 CD ARG B 638 21.158 -5.461 4.344 1.00 0.00 C ATOM 1342 NE ARG B 638 20.788 -4.056 4.173 1.00 0.00 N ATOM 1343 CZ ARG B 638 21.654 -3.059 4.002 1.00 0.00 C ATOM 1344 NH1 ARG B 638 22.962 -3.291 3.992 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 21.206 -1.824 3.842 1.00 0.00 N ATOM 0 H ARG B 638 17.693 -8.612 2.203 1.00 0.00 H new ATOM 0 HA ARG B 638 17.176 -6.472 2.233 1.00 0.00 H new ATOM 0 HB2 ARG B 638 18.772 -5.060 3.474 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.534 -6.631 4.211 1.00 0.00 H new ATOM 0 HG2 ARG B 638 20.666 -7.398 3.570 1.00 0.00 H new ATOM 0 HG3 ARG B 638 20.850 -6.162 2.342 1.00 0.00 H new ATOM 0 HD2 ARG B 638 20.907 -5.783 5.355 1.00 0.00 H new ATOM 0 HD3 ARG B 638 22.237 -5.569 4.234 1.00 0.00 H new ATOM 0 HE ARG B 638 19.795 -3.823 4.186 1.00 0.00 H new ATOM 0 HH11 ARG B 638 23.312 -4.241 4.116 1.00 0.00 H new ATOM 0 HH12 ARG B 638 23.616 -2.519 3.860 1.00 0.00 H new ATOM 0 HH21 ARG B 638 20.203 -1.640 3.850 1.00 0.00 H new ATOM 0 HH22 ARG B 638 21.864 -1.056 3.711 1.00 0.00 H new ATOM 1359 N ALA B 639 18.192 -6.221 -0.284 1.00 0.00 N ATOM 1360 CA ALA B 639 18.485 -5.540 -1.534 1.00 0.00 C ATOM 1361 C ALA B 639 17.821 -4.175 -1.554 1.00 0.00 C ATOM 1362 O ALA B 639 16.598 -4.071 -1.456 1.00 0.00 O ATOM 1363 CB ALA B 639 18.020 -6.374 -2.713 1.00 0.00 C ATOM 0 H ALA B 639 17.620 -7.059 -0.387 1.00 0.00 H new ATOM 0 HA ALA B 639 19.564 -5.404 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.247 -5.850 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.534 -7.335 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA B 639 16.945 -6.537 -2.642 1.00 0.00 H new ATOM 1369 N GLN B 640 18.623 -3.132 -1.673 1.00 0.00 N ATOM 1370 CA GLN B 640 18.102 -1.780 -1.593 1.00 0.00 C ATOM 1371 C GLN B 640 17.522 -1.321 -2.920 1.00 0.00 C ATOM 1372 O GLN B 640 18.210 -1.264 -3.940 1.00 0.00 O ATOM 1373 CB GLN B 640 19.163 -0.803 -1.094 1.00 0.00 C ATOM 1374 CG GLN B 640 19.480 -0.985 0.380 1.00 0.00 C ATOM 1375 CD GLN B 640 20.291 0.155 0.956 1.00 0.00 C ATOM 1376 OE1 GLN B 640 21.086 0.788 0.262 1.00 0.00 O ATOM 1377 NE2 GLN B 640 20.089 0.432 2.233 1.00 0.00 N ATOM 0 H GLN B 640 19.630 -3.194 -1.824 1.00 0.00 H new ATOM 0 HA GLN B 640 17.290 -1.793 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN B 640 20.075 -0.935 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.820 0.218 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.548 -1.078 0.937 1.00 0.00 H new ATOM 0 HG3 GLN B 640 20.027 -1.918 0.516 1.00 0.00 H new ATOM 0 HE21 GLN B 640 19.421 -0.117 2.774 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.601 1.194 2.677 1.00 0.00 H new ATOM 1386 N VAL B 641 16.239 -1.006 -2.883 1.00 0.00 N ATOM 1387 CA VAL B 641 15.508 -0.541 -4.051 1.00 0.00 C ATOM 1388 C VAL B 641 14.883 0.817 -3.766 1.00 0.00 C ATOM 1389 O VAL B 641 14.132 0.970 -2.806 1.00 0.00 O ATOM 1390 CB VAL B 641 14.397 -1.537 -4.453 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.631 -1.039 -5.668 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.984 -2.912 -4.723 1.00 0.00 C ATOM 0 H VAL B 641 15.671 -1.066 -2.038 1.00 0.00 H new ATOM 0 HA VAL B 641 16.216 -0.460 -4.876 1.00 0.00 H new ATOM 0 HB VAL B 641 13.698 -1.615 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.855 -1.759 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL B 641 13.171 -0.077 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL B 641 14.316 -0.923 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL B 641 14.186 -3.599 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.709 -2.845 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL B 641 15.479 -3.279 -3.824 1.00 0.00 H new ATOM 1402 N SER B 642 15.207 1.799 -4.585 1.00 0.00 N ATOM 1403 CA SER B 642 14.669 3.139 -4.412 1.00 0.00 C ATOM 1404 C SER B 642 13.652 3.448 -5.506 1.00 0.00 C ATOM 1405 O SER B 642 14.004 3.564 -6.682 1.00 0.00 O ATOM 1406 CB SER B 642 15.804 4.163 -4.429 1.00 0.00 C ATOM 1407 OG SER B 642 16.776 3.850 -3.443 1.00 0.00 O ATOM 0 H SER B 642 15.840 1.696 -5.378 1.00 0.00 H new ATOM 0 HA SER B 642 14.162 3.195 -3.449 1.00 0.00 H new ATOM 0 HB2 SER B 642 16.270 4.180 -5.414 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.403 5.161 -4.248 1.00 0.00 H new ATOM 0 HG SER B 642 17.495 4.515 -3.470 1.00 0.00 H new ATOM 1413 N VAL B 643 12.389 3.557 -5.125 1.00 0.00 N ATOM 1414 CA VAL B 643 11.333 3.818 -6.078 1.00 0.00 C ATOM 1415 C VAL B 643 10.622 5.139 -5.770 1.00 0.00 C ATOM 1416 O VAL B 643 10.141 5.359 -4.656 1.00 0.00 O ATOM 1417 CB VAL B 643 10.327 2.648 -6.106 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.774 2.359 -4.720 1.00 0.00 C ATOM 1419 CG2 VAL B 643 9.206 2.930 -7.082 1.00 0.00 C ATOM 0 H VAL B 643 12.074 3.468 -4.159 1.00 0.00 H new ATOM 0 HA VAL B 643 11.786 3.907 -7.066 1.00 0.00 H new ATOM 0 HB VAL B 643 10.861 1.759 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.069 1.530 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.592 2.096 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.264 3.244 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.508 2.093 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.682 3.838 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.619 3.063 -8.082 1.00 0.00 H new ATOM 1429 N GLU B 644 10.594 6.020 -6.760 1.00 0.00 N ATOM 1430 CA GLU B 644 9.950 7.321 -6.631 1.00 0.00 C ATOM 1431 C GLU B 644 8.445 7.192 -6.861 1.00 0.00 C ATOM 1432 O GLU B 644 8.005 6.929 -7.982 1.00 0.00 O ATOM 1433 CB GLU B 644 10.544 8.293 -7.652 1.00 0.00 C ATOM 1434 CG GLU B 644 12.044 8.492 -7.509 1.00 0.00 C ATOM 1435 CD GLU B 644 12.672 9.090 -8.749 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.737 8.389 -9.781 1.00 0.00 O ATOM 1437 OE2 GLU B 644 13.105 10.260 -8.701 1.00 0.00 O1- ATOM 0 H GLU B 644 11.016 5.854 -7.674 1.00 0.00 H new ATOM 0 HA GLU B 644 10.122 7.701 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.330 7.927 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU B 644 10.048 9.258 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.241 9.142 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.515 7.533 -7.294 1.00 0.00 H new ATOM 1444 N VAL B 645 7.661 7.360 -5.806 1.00 0.00 N ATOM 1445 CA VAL B 645 6.208 7.271 -5.914 1.00 0.00 C ATOM 1446 C VAL B 645 5.556 8.513 -5.326 1.00 0.00 C ATOM 1447 O VAL B 645 6.119 9.157 -4.441 1.00 0.00 O ATOM 1448 CB VAL B 645 5.647 6.021 -5.194 1.00 0.00 C ATOM 1449 CG1 VAL B 645 6.170 4.746 -5.836 1.00 0.00 C ATOM 1450 CG2 VAL B 645 5.981 6.051 -3.708 1.00 0.00 C ATOM 0 H VAL B 645 8.004 7.558 -4.866 1.00 0.00 H new ATOM 0 HA VAL B 645 5.974 7.191 -6.976 1.00 0.00 H new ATOM 0 HB VAL B 645 4.562 6.034 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL B 645 5.762 3.881 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL B 645 5.866 4.714 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL B 645 7.258 4.727 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.575 5.162 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL B 645 7.063 6.072 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL B 645 5.544 6.941 -3.255 1.00 0.00 H new ATOM 1460 N LEU B 646 4.392 8.879 -5.844 1.00 0.00 N ATOM 1461 CA LEU B 646 3.638 9.971 -5.273 1.00 0.00 C ATOM 1462 C LEU B 646 3.201 9.645 -3.859 1.00 0.00 C ATOM 1463 O LEU B 646 2.821 8.517 -3.549 1.00 0.00 O ATOM 1464 CB LEU B 646 2.433 10.338 -6.130 1.00 0.00 C ATOM 1465 CG LEU B 646 2.791 11.117 -7.377 1.00 0.00 C ATOM 1466 CD1 LEU B 646 3.411 10.191 -8.378 1.00 0.00 C ATOM 1467 CD2 LEU B 646 1.587 11.846 -7.951 1.00 0.00 C ATOM 0 H LEU B 646 3.957 8.436 -6.653 1.00 0.00 H new ATOM 0 HA LEU B 646 4.299 10.837 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.912 9.425 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.738 10.926 -5.531 1.00 0.00 H new ATOM 0 HG LEU B 646 3.516 11.888 -7.115 1.00 0.00 H new ATOM 0 HD11 LEU B 646 3.670 10.749 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU B 646 4.312 9.747 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU B 646 2.703 9.402 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU B 646 1.885 12.393 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU B 646 0.813 11.123 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU B 646 1.198 12.545 -7.211 1.00 0.00 H new ATOM 1479 N VAL B 647 3.245 10.656 -3.018 1.00 0.00 N ATOM 1480 CA VAL B 647 2.970 10.505 -1.597 1.00 0.00 C ATOM 1481 C VAL B 647 1.488 10.249 -1.331 1.00 0.00 C ATOM 1482 O VAL B 647 1.088 9.993 -0.198 1.00 0.00 O ATOM 1483 CB VAL B 647 3.424 11.751 -0.815 1.00 0.00 C ATOM 1484 CG1 VAL B 647 4.932 11.913 -0.905 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.719 12.993 -1.339 1.00 0.00 C ATOM 0 H VAL B 647 3.473 11.610 -3.297 1.00 0.00 H new ATOM 0 HA VAL B 647 3.536 9.638 -1.255 1.00 0.00 H new ATOM 0 HB VAL B 647 3.155 11.620 0.233 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.237 12.798 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.418 11.033 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.224 12.024 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.051 13.865 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.958 13.130 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.641 12.876 -1.224 1.00 0.00 H new ATOM 1495 N GLU B 648 0.679 10.321 -2.385 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.744 10.029 -2.278 1.00 0.00 C ATOM 1497 C GLU B 648 -0.996 8.532 -2.443 1.00 0.00 C ATOM 1498 O GLU B 648 -2.141 8.080 -2.444 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.551 10.823 -3.313 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.000 10.737 -4.725 1.00 0.00 C ATOM 1501 CD GLU B 648 -2.000 11.182 -5.772 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -2.163 12.403 -5.966 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -2.621 10.312 -6.419 1.00 0.00 O1- ATOM 0 H GLU B 648 0.987 10.579 -3.323 1.00 0.00 H new ATOM 0 HA GLU B 648 -1.075 10.333 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.579 10.461 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.582 11.869 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.104 11.354 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -0.698 9.710 -4.931 1.00 0.00 H new ATOM 1510 N TYR B 649 0.085 7.776 -2.594 1.00 0.00 N ATOM 1511 CA TYR B 649 0.010 6.329 -2.658 1.00 0.00 C ATOM 1512 C TYR B 649 0.057 5.731 -1.257 1.00 0.00 C ATOM 1513 O TYR B 649 1.083 5.811 -0.576 1.00 0.00 O ATOM 1514 CB TYR B 649 1.165 5.776 -3.493 1.00 0.00 C ATOM 1515 CG TYR B 649 0.889 5.749 -4.980 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.298 4.640 -5.575 1.00 0.00 C ATOM 1517 CD2 TYR B 649 1.222 6.826 -5.787 1.00 0.00 C ATOM 1518 CE1 TYR B 649 0.048 4.608 -6.933 1.00 0.00 C ATOM 1519 CE2 TYR B 649 0.973 6.803 -7.146 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.388 5.692 -7.714 1.00 0.00 C ATOM 1521 OH TYR B 649 0.142 5.666 -9.067 1.00 0.00 O ATOM 0 H TYR B 649 1.031 8.150 -2.675 1.00 0.00 H new ATOM 0 HA TYR B 649 -0.934 6.055 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR B 649 2.054 6.379 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.391 4.764 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.030 3.790 -4.965 1.00 0.00 H new ATOM 0 HD2 TYR B 649 1.684 7.697 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR B 649 -0.411 3.739 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR B 649 1.236 7.652 -7.760 1.00 0.00 H new ATOM 0 HH TYR B 649 0.440 6.508 -9.470 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.054 5.138 -0.797 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.111 4.474 0.493 1.00 0.00 C ATOM 1533 C PRO B 650 -0.520 3.072 0.417 1.00 0.00 C ATOM 1534 O PRO B 650 -1.005 2.220 -0.325 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.612 4.415 0.817 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.319 5.041 -0.346 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.343 5.060 -1.485 1.00 0.00 C ATOM 0 HA PRO B 650 -0.535 4.999 1.255 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.938 3.385 0.962 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -2.832 4.951 1.740 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.210 4.471 -0.609 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -3.647 6.051 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.421 4.164 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.504 5.914 -2.143 1.00 0.00 H new ATOM 1545 N PHE B 651 0.529 2.840 1.185 1.00 0.00 N ATOM 1546 CA PHE B 651 1.232 1.572 1.152 1.00 0.00 C ATOM 1547 C PHE B 651 0.788 0.669 2.289 1.00 0.00 C ATOM 1548 O PHE B 651 0.853 1.042 3.463 1.00 0.00 O ATOM 1549 CB PHE B 651 2.745 1.790 1.226 1.00 0.00 C ATOM 1550 CG PHE B 651 3.372 2.134 -0.094 1.00 0.00 C ATOM 1551 CD1 PHE B 651 3.269 3.412 -0.617 1.00 0.00 C ATOM 1552 CD2 PHE B 651 4.067 1.174 -0.814 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.846 3.726 -1.831 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.646 1.482 -2.029 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.535 2.761 -2.539 1.00 0.00 C ATOM 0 H PHE B 651 0.914 3.518 1.843 1.00 0.00 H new ATOM 0 HA PHE B 651 0.988 1.086 0.207 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.953 2.590 1.936 1.00 0.00 H new ATOM 0 HB3 PHE B 651 3.214 0.887 1.616 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.731 4.172 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.157 0.173 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.759 4.727 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.184 0.725 -2.579 1.00 0.00 H new ATOM 0 HZ PHE B 651 4.986 3.006 -3.489 1.00 0.00 H new ATOM 1565 N PHE B 652 0.319 -0.513 1.934 1.00 0.00 N ATOM 1566 CA PHE B 652 0.026 -1.528 2.921 1.00 0.00 C ATOM 1567 C PHE B 652 1.332 -2.059 3.469 1.00 0.00 C ATOM 1568 O PHE B 652 2.256 -2.337 2.709 1.00 0.00 O ATOM 1569 CB PHE B 652 -0.796 -2.658 2.311 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.108 -2.839 2.997 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.158 -3.395 4.259 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.287 -2.440 2.393 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.358 -3.552 4.909 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.495 -2.597 3.039 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.531 -3.154 4.301 1.00 0.00 C ATOM 0 H PHE B 652 0.134 -0.791 0.970 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.564 -1.091 3.727 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -0.967 -2.451 1.255 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.229 -3.587 2.366 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.244 -3.710 4.741 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.261 -2.001 1.406 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.383 -3.987 5.897 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.411 -2.285 2.559 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.475 -3.278 4.811 1.00 0.00 H new ATOM 1585 N VAL B 653 1.439 -2.175 4.777 1.00 0.00 N ATOM 1586 CA VAL B 653 2.709 -2.530 5.364 1.00 0.00 C ATOM 1587 C VAL B 653 2.618 -3.857 6.140 1.00 0.00 C ATOM 1588 O VAL B 653 1.758 -4.027 7.003 1.00 0.00 O ATOM 1589 CB VAL B 653 3.237 -1.395 6.266 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.742 -1.432 6.337 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.812 -0.025 5.779 1.00 0.00 C ATOM 0 H VAL B 653 0.677 -2.032 5.440 1.00 0.00 H new ATOM 0 HA VAL B 653 3.421 -2.673 4.551 1.00 0.00 H new ATOM 0 HB VAL B 653 2.805 -1.561 7.253 1.00 0.00 H new ATOM 0 HG11 VAL B 653 5.096 -0.624 6.977 1.00 0.00 H new ATOM 0 HG12 VAL B 653 5.063 -2.389 6.749 1.00 0.00 H new ATOM 0 HG13 VAL B 653 5.157 -1.310 5.336 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.209 0.738 6.448 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.197 0.139 4.772 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.724 0.035 5.766 1.00 0.00 H new ATOM 1601 N PHE B 654 3.576 -4.745 5.840 1.00 0.00 N ATOM 1602 CA PHE B 654 3.588 -6.173 6.223 1.00 0.00 C ATOM 1603 C PHE B 654 3.029 -6.482 7.621 1.00 0.00 C ATOM 1604 O PHE B 654 2.111 -7.286 7.754 1.00 0.00 O ATOM 1605 CB PHE B 654 5.022 -6.717 6.063 1.00 0.00 C ATOM 1606 CG PHE B 654 5.200 -8.142 6.511 1.00 0.00 C ATOM 1607 CD1 PHE B 654 4.776 -9.189 5.709 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.795 -8.434 7.729 1.00 0.00 C ATOM 1609 CE1 PHE B 654 4.941 -10.500 6.113 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.962 -9.743 8.138 1.00 0.00 C ATOM 1611 CZ PHE B 654 5.534 -10.778 7.329 1.00 0.00 C ATOM 0 H PHE B 654 4.401 -4.482 5.301 1.00 0.00 H new ATOM 0 HA PHE B 654 2.899 -6.681 5.548 1.00 0.00 H new ATOM 0 HB2 PHE B 654 5.312 -6.640 5.015 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.703 -6.083 6.630 1.00 0.00 H new ATOM 0 HD1 PHE B 654 4.311 -8.978 4.757 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.132 -7.629 8.365 1.00 0.00 H new ATOM 0 HE1 PHE B 654 4.606 -11.307 5.478 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.427 -9.957 9.089 1.00 0.00 H new ATOM 0 HZ PHE B 654 5.663 -11.802 7.647 1.00 0.00 H new ATOM 1621 N GLY B 655 3.584 -5.888 8.657 1.00 0.00 N ATOM 1622 CA GLY B 655 3.050 -6.090 9.990 1.00 0.00 C ATOM 1623 C GLY B 655 2.885 -4.775 10.701 1.00 0.00 C ATOM 1624 O GLY B 655 2.761 -4.714 11.921 1.00 0.00 O ATOM 0 H GLY B 655 4.393 -5.270 8.605 1.00 0.00 H new ATOM 0 HA2 GLY B 655 2.088 -6.599 9.929 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.717 -6.736 10.560 1.00 0.00 H new ATOM 1628 N GLN B 656 2.889 -3.716 9.914 1.00 0.00 N ATOM 1629 CA GLN B 656 2.892 -2.377 10.427 1.00 0.00 C ATOM 1630 C GLN B 656 1.509 -1.740 10.274 1.00 0.00 C ATOM 1631 O GLN B 656 1.144 -0.848 11.040 1.00 0.00 O ATOM 1632 CB GLN B 656 3.957 -1.572 9.687 1.00 0.00 C ATOM 1633 CG GLN B 656 5.393 -2.024 9.936 1.00 0.00 C ATOM 1634 CD GLN B 656 5.744 -3.356 9.288 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.146 -3.633 8.131 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.545 -4.113 9.818 1.00 0.00 N flip ATOM 0 H GLN B 656 2.890 -3.771 8.895 1.00 0.00 H new ATOM 0 HA GLN B 656 3.127 -2.388 11.491 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.755 -1.627 8.617 1.00 0.00 H new ATOM 0 HB3 GLN B 656 3.866 -0.525 9.976 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.074 -1.259 9.562 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.558 -2.100 11.011 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.978 -3.857 10.705 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.780 -5.000 9.373 1.00 0.00 H new ATOM 1645 N GLY B 657 0.747 -2.196 9.277 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.638 -1.773 9.155 1.00 0.00 C ATOM 1647 C GLY B 657 -0.969 -1.100 7.835 1.00 0.00 C ATOM 1648 O GLY B 657 -0.253 -1.257 6.843 1.00 0.00 O ATOM 0 H GLY B 657 1.064 -2.846 8.558 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.284 -2.642 9.279 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.869 -1.085 9.969 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.075 -0.362 7.839 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.579 0.331 6.659 1.00 0.00 C ATOM 1654 C TRP B 658 -2.040 1.761 6.652 1.00 0.00 C ATOM 1655 O TRP B 658 -2.571 2.637 7.339 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.116 0.318 6.705 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.837 0.784 5.466 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.155 1.136 5.412 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.331 0.939 4.123 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.504 1.493 4.138 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.409 1.385 3.329 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.087 0.750 3.505 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.281 1.640 1.969 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -2.968 1.005 2.152 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.058 1.444 1.400 1.00 0.00 C ATOM 0 H TRP B 658 -2.652 -0.227 8.670 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.249 -0.164 5.745 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.441 -0.699 6.925 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.436 0.942 7.539 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.828 1.133 6.257 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.433 1.792 3.840 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.236 0.411 4.077 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.121 1.982 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.013 0.862 1.668 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -3.930 1.633 0.344 1.00 0.00 H new ATOM 1676 N SER B 659 -0.986 1.996 5.884 1.00 0.00 N ATOM 1677 CA SER B 659 -0.242 3.238 5.987 1.00 0.00 C ATOM 1678 C SER B 659 -0.159 3.967 4.651 1.00 0.00 C ATOM 1679 O SER B 659 -0.546 3.437 3.617 1.00 0.00 O ATOM 1680 CB SER B 659 1.167 2.944 6.510 1.00 0.00 C ATOM 1681 OG SER B 659 1.123 2.258 7.752 1.00 0.00 O ATOM 0 H SER B 659 -0.629 1.344 5.186 1.00 0.00 H new ATOM 0 HA SER B 659 -0.771 3.890 6.681 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.711 2.344 5.780 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.716 3.878 6.627 1.00 0.00 H new ATOM 0 HG SER B 659 2.036 2.082 8.061 1.00 0.00 H new ATOM 1687 N SER B 660 0.303 5.208 4.697 1.00 0.00 N ATOM 1688 CA SER B 660 0.547 5.985 3.495 1.00 0.00 C ATOM 1689 C SER B 660 1.775 6.859 3.677 1.00 0.00 C ATOM 1690 O SER B 660 2.127 7.228 4.801 1.00 0.00 O ATOM 1691 CB SER B 660 -0.668 6.856 3.170 1.00 0.00 C ATOM 1692 OG SER B 660 -0.428 7.668 2.034 1.00 0.00 O ATOM 0 H SER B 660 0.518 5.701 5.564 1.00 0.00 H new ATOM 0 HA SER B 660 0.720 5.298 2.667 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.536 6.221 2.990 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.906 7.486 4.027 1.00 0.00 H new ATOM 0 HG SER B 660 -1.281 7.900 1.612 1.00 0.00 H new ATOM 1698 N CYS B 661 2.427 7.173 2.561 1.00 0.00 N ATOM 1699 CA CYS B 661 3.592 8.049 2.558 1.00 0.00 C ATOM 1700 C CYS B 661 3.189 9.460 2.963 1.00 0.00 C ATOM 1701 O CYS B 661 4.033 10.287 3.309 1.00 0.00 O ATOM 1702 CB CYS B 661 4.228 8.065 1.169 1.00 0.00 C ATOM 1703 SG CYS B 661 4.727 6.434 0.575 1.00 0.00 S ATOM 0 H CYS B 661 2.163 6.829 1.638 1.00 0.00 H new ATOM 0 HA CYS B 661 4.319 7.672 3.277 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.521 8.498 0.461 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.101 8.717 1.187 1.00 0.00 H new ATOM 0 HG CYS B 661 3.687 5.802 0.118 1.00 0.00 H new ATOM 1709 N CYS B 662 1.893 9.722 2.909 1.00 0.00 N ATOM 1710 CA CYS B 662 1.346 10.989 3.346 1.00 0.00 C ATOM 1711 C CYS B 662 -0.122 10.810 3.700 1.00 0.00 C ATOM 1712 O CYS B 662 -1.008 11.083 2.885 1.00 0.00 O ATOM 1713 CB CYS B 662 1.516 12.060 2.265 1.00 0.00 C ATOM 1714 SG CYS B 662 0.948 13.709 2.746 1.00 0.00 S ATOM 0 H CYS B 662 1.196 9.063 2.562 1.00 0.00 H new ATOM 0 HA CYS B 662 1.889 11.324 4.230 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.570 12.118 1.991 1.00 0.00 H new ATOM 0 HB3 CYS B 662 0.972 11.748 1.374 1.00 0.00 H new ATOM 0 HG CYS B 662 1.362 13.977 3.949 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.396 10.325 4.926 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.762 10.137 5.414 1.00 0.00 C ATOM 1722 C PRO B 663 -2.565 11.420 5.325 1.00 0.00 C ATOM 1723 O PRO B 663 -3.785 11.387 5.172 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.579 9.728 6.873 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.198 9.177 6.951 1.00 0.00 C ATOM 1726 CD PRO B 663 0.608 9.928 5.929 1.00 0.00 C ATOM 0 HA PRO B 663 -2.309 9.400 4.826 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.701 10.581 7.540 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.318 8.983 7.169 1.00 0.00 H new ATOM 0 HG2 PRO B 663 0.219 9.309 7.950 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.193 8.107 6.742 1.00 0.00 H new ATOM 0 HD2 PRO B 663 1.104 10.795 6.366 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.386 9.302 5.492 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.862 12.545 5.420 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.463 13.854 5.228 1.00 0.00 C ATOM 1736 C GLU B 664 -3.225 13.878 3.916 1.00 0.00 C ATOM 1737 O GLU B 664 -4.445 13.907 3.903 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.399 14.958 5.196 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.471 14.985 6.398 1.00 0.00 C ATOM 1740 CD GLU B 664 0.629 13.946 6.321 1.00 0.00 C ATOM 1741 OE1 GLU B 664 1.668 14.220 5.678 1.00 0.00 O1- ATOM 1742 OE2 GLU B 664 0.460 12.854 6.893 1.00 0.00 O ATOM 0 H GLU B 664 -0.864 12.571 5.631 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.136 14.038 6.066 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.799 14.838 4.294 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.900 15.923 5.120 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.023 15.975 6.482 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -1.054 14.822 7.304 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.483 13.831 2.820 1.00 0.00 N ATOM 1750 CA ARG B 665 -3.070 13.862 1.480 1.00 0.00 C ATOM 1751 C ARG B 665 -4.072 12.733 1.262 1.00 0.00 C ATOM 1752 O ARG B 665 -5.141 12.961 0.706 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.978 13.783 0.413 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.392 15.129 0.022 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.156 14.948 -0.842 1.00 0.00 C ATOM 1756 NE ARG B 665 0.387 16.216 -1.330 1.00 0.00 N ATOM 1757 CZ ARG B 665 1.586 16.697 -0.991 1.00 0.00 C ATOM 1758 NH1 ARG B 665 2.300 16.106 -0.040 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 2.056 17.788 -1.585 1.00 0.00 N ATOM 0 H ARG B 665 -1.465 13.771 2.828 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.604 14.808 1.393 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -1.175 13.142 0.777 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -2.389 13.306 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.137 15.712 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -1.135 15.693 0.919 1.00 0.00 H new ATOM 0 HD2 ARG B 665 0.610 14.427 -0.267 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -0.403 14.313 -1.693 1.00 0.00 H new ATOM 0 HE ARG B 665 -0.186 16.767 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.933 15.281 0.435 1.00 0.00 H new ATOM 0 HH12 ARG B 665 3.215 16.477 0.216 1.00 0.00 H new ATOM 0 HH21 ARG B 665 1.501 18.259 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG B 665 2.972 18.155 -1.326 1.00 0.00 H new ATOM 1773 N THR B 666 -3.747 11.522 1.694 1.00 0.00 N ATOM 1774 CA THR B 666 -4.642 10.397 1.461 1.00 0.00 C ATOM 1775 C THR B 666 -5.981 10.614 2.177 1.00 0.00 C ATOM 1776 O THR B 666 -7.046 10.337 1.626 1.00 0.00 O ATOM 1777 CB THR B 666 -4.002 9.060 1.890 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.670 8.982 1.362 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.812 7.873 1.376 1.00 0.00 C ATOM 0 H THR B 666 -2.889 11.296 2.197 1.00 0.00 H new ATOM 0 HA THR B 666 -4.827 10.341 0.388 1.00 0.00 H new ATOM 0 HB THR B 666 -3.983 9.022 2.979 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.072 9.542 1.899 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.338 6.944 1.693 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.823 7.920 1.780 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.854 7.905 0.287 1.00 0.00 H new ATOM 1787 N SER B 667 -5.929 11.150 3.389 1.00 0.00 N ATOM 1788 CA SER B 667 -7.142 11.454 4.137 1.00 0.00 C ATOM 1789 C SER B 667 -7.770 12.767 3.657 1.00 0.00 C ATOM 1790 O SER B 667 -8.984 12.945 3.717 1.00 0.00 O ATOM 1791 CB SER B 667 -6.832 11.523 5.631 1.00 0.00 C ATOM 1792 OG SER B 667 -8.009 11.682 6.406 1.00 0.00 O ATOM 0 H SER B 667 -5.063 11.383 3.874 1.00 0.00 H new ATOM 0 HA SER B 667 -7.863 10.655 3.962 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.315 10.614 5.937 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.155 12.355 5.824 1.00 0.00 H new ATOM 0 HG SER B 667 -7.772 11.721 7.356 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.936 13.683 3.185 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.394 14.967 2.679 1.00 0.00 C ATOM 1800 C GLN B 668 -8.125 14.853 1.351 1.00 0.00 C ATOM 1801 O GLN B 668 -9.247 15.331 1.199 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.210 15.878 2.504 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.892 16.664 3.747 1.00 0.00 C ATOM 1804 CD GLN B 668 -7.011 17.590 4.204 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -8.197 17.311 4.020 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -6.637 18.708 4.804 1.00 0.00 N ATOM 0 H GLN B 668 -5.925 13.556 3.143 1.00 0.00 H new ATOM 0 HA GLN B 668 -8.099 15.367 3.408 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.340 15.286 2.221 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.406 16.568 1.683 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.659 15.969 4.553 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.995 17.257 3.569 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -5.646 18.907 4.940 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -7.340 19.371 5.131 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.484 14.199 0.399 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.964 14.184 -0.971 1.00 0.00 C ATOM 1817 C LEU B 669 -8.928 13.026 -1.184 1.00 0.00 C ATOM 1818 O LEU B 669 -9.944 13.155 -1.869 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.777 14.055 -1.934 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.516 14.836 -1.535 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.398 14.615 -2.545 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.808 16.324 -1.371 1.00 0.00 C ATOM 0 H LEU B 669 -6.626 13.669 0.551 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.491 15.118 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.517 13.000 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.094 14.390 -2.921 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.186 14.454 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.516 15.178 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.153 13.554 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.724 14.954 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -4.893 16.845 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.180 16.728 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.560 16.464 -0.594 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.602 11.896 -0.579 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.356 10.667 -0.790 1.00 0.00 C ATOM 1836 C PHE B 670 -10.242 10.360 0.410 1.00 0.00 C ATOM 1837 O PHE B 670 -10.972 9.366 0.418 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.385 9.511 -1.037 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.271 9.861 -1.984 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.531 10.448 -3.212 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -5.959 9.603 -1.636 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.500 10.769 -4.073 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -4.925 9.920 -2.490 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.194 10.505 -3.711 1.00 0.00 C ATOM 0 H PHE B 670 -7.817 11.802 0.065 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.000 10.795 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.958 9.195 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -8.938 8.660 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.551 10.657 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.741 9.147 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.715 11.226 -5.028 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.905 9.711 -2.204 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.385 10.756 -4.381 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.155 11.223 1.424 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.917 11.073 2.667 1.00 0.00 C ATOM 1856 C ASP B 671 -10.550 9.783 3.394 1.00 0.00 C ATOM 1857 O ASP B 671 -11.270 9.334 4.286 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.425 11.116 2.400 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.903 12.476 1.940 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.878 13.428 2.752 1.00 0.00 O ATOM 1861 OD2 ASP B 671 -13.324 12.605 0.771 1.00 0.00 O1- ATOM 0 H ASP B 671 -9.554 12.047 1.407 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.654 11.914 3.309 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.676 10.373 1.643 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.958 10.838 3.309 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.403 9.217 3.048 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.029 7.901 3.540 1.00 0.00 C ATOM 1868 C LEU B 672 -7.872 7.996 4.531 1.00 0.00 C ATOM 1869 O LEU B 672 -6.759 8.367 4.164 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.650 6.991 2.368 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.263 5.569 2.768 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.487 4.810 3.261 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.603 4.842 1.606 1.00 0.00 C ATOM 0 H LEU B 672 -8.717 9.649 2.429 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.886 7.474 4.060 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.490 6.944 1.675 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.817 7.442 1.829 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.540 5.621 3.582 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -9.198 3.798 3.543 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.908 5.322 4.126 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -10.232 4.767 2.467 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -7.336 3.831 1.914 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.296 4.794 0.766 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.704 5.379 1.304 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.118 7.648 5.800 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.105 7.751 6.846 1.00 0.00 C ATOM 1887 C PRO B 673 -6.073 6.629 6.764 1.00 0.00 C ATOM 1888 O PRO B 673 -6.411 5.476 6.488 1.00 0.00 O ATOM 1889 CB PRO B 673 -7.913 7.662 8.139 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.160 6.921 7.786 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.390 7.104 6.305 1.00 0.00 C ATOM 0 HA PRO B 673 -6.523 8.669 6.765 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.354 7.140 8.915 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.144 8.655 8.526 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.061 5.864 8.031 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.007 7.302 8.356 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.637 6.159 5.822 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.218 7.786 6.113 1.00 0.00 H new ATOM 1899 N CYS B 674 -4.815 6.975 6.999 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.719 6.019 6.904 1.00 0.00 C ATOM 1901 C CYS B 674 -2.751 6.215 8.055 1.00 0.00 C ATOM 1902 O CYS B 674 -2.645 7.307 8.613 1.00 0.00 O ATOM 1903 CB CYS B 674 -2.969 6.201 5.578 1.00 0.00 C ATOM 1904 SG CYS B 674 -4.044 6.234 4.126 1.00 0.00 S ATOM 0 H CYS B 674 -4.526 7.918 7.259 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.136 5.013 6.949 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.401 7.130 5.618 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.248 5.391 5.466 1.00 0.00 H new ATOM 0 HG CYS B 674 -4.995 7.102 4.309 1.00 0.00 H new ATOM 1910 N SER B 675 -2.066 5.149 8.425 1.00 0.00 N ATOM 1911 CA SER B 675 -0.951 5.253 9.338 1.00 0.00 C ATOM 1912 C SER B 675 0.220 5.863 8.582 1.00 0.00 C ATOM 1913 O SER B 675 0.260 5.805 7.356 1.00 0.00 O ATOM 1914 CB SER B 675 -0.595 3.867 9.879 1.00 0.00 C ATOM 1915 OG SER B 675 -1.739 3.224 10.423 1.00 0.00 O ATOM 0 H SER B 675 -2.265 4.201 8.105 1.00 0.00 H new ATOM 0 HA SER B 675 -1.204 5.886 10.188 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.176 3.257 9.079 1.00 0.00 H new ATOM 0 HB3 SER B 675 0.174 3.958 10.646 1.00 0.00 H new ATOM 0 HG SER B 675 -2.313 2.906 9.695 1.00 0.00 H new ATOM 1921 N LYS B 676 1.148 6.483 9.277 1.00 0.00 N ATOM 1922 CA LYS B 676 2.273 7.092 8.595 1.00 0.00 C ATOM 1923 C LYS B 676 3.276 6.033 8.172 1.00 0.00 C ATOM 1924 O LYS B 676 3.901 5.384 9.012 1.00 0.00 O ATOM 1925 CB LYS B 676 2.953 8.148 9.463 1.00 0.00 C ATOM 1926 CG LYS B 676 4.202 8.736 8.825 1.00 0.00 C ATOM 1927 CD LYS B 676 3.902 9.374 7.475 1.00 0.00 C ATOM 1928 CE LYS B 676 5.142 10.027 6.872 1.00 0.00 C ATOM 1929 NZ LYS B 676 6.259 9.063 6.667 1.00 0.00 N1+ ATOM 0 H LYS B 676 1.150 6.579 10.292 1.00 0.00 H new ATOM 0 HA LYS B 676 1.887 7.590 7.705 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.245 8.951 9.668 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.218 7.704 10.423 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.633 9.483 9.492 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.949 7.952 8.698 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.521 8.616 6.791 1.00 0.00 H new ATOM 0 HD3 LYS B 676 3.117 10.122 7.592 1.00 0.00 H new ATOM 0 HE2 LYS B 676 4.880 10.481 5.916 1.00 0.00 H new ATOM 0 HE3 LYS B 676 5.478 10.832 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 7.057 9.548 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 6.565 8.686 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 5.936 8.281 6.062 1.00 0.00 H new ATOM 1943 N LEU B 677 3.405 5.858 6.867 1.00 0.00 N ATOM 1944 CA LEU B 677 4.389 4.949 6.312 1.00 0.00 C ATOM 1945 C LEU B 677 5.757 5.609 6.400 1.00 0.00 C ATOM 1946 O LEU B 677 6.034 6.575 5.688 1.00 0.00 O ATOM 1947 CB LEU B 677 4.015 4.588 4.857 1.00 0.00 C ATOM 1948 CG LEU B 677 4.930 3.588 4.126 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.176 4.264 3.571 1.00 0.00 C ATOM 1950 CD2 LEU B 677 5.314 2.446 5.049 1.00 0.00 C ATOM 0 H LEU B 677 2.836 6.338 6.170 1.00 0.00 H new ATOM 0 HA LEU B 677 4.413 4.017 6.877 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.003 4.183 4.858 1.00 0.00 H new ATOM 0 HB3 LEU B 677 3.988 5.510 4.276 1.00 0.00 H new ATOM 0 HG LEU B 677 4.369 3.187 3.282 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.795 3.525 3.063 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.884 5.041 2.864 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.742 4.711 4.388 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.961 1.749 4.516 1.00 0.00 H new ATOM 0 HD22 LEU B 677 5.843 2.841 5.916 1.00 0.00 H new ATOM 0 HD23 LEU B 677 4.414 1.926 5.379 1.00 0.00 H new ATOM 1962 N SER B 678 6.583 5.125 7.309 1.00 0.00 N ATOM 1963 CA SER B 678 7.903 5.694 7.512 1.00 0.00 C ATOM 1964 C SER B 678 8.978 4.618 7.485 1.00 0.00 C ATOM 1965 O SER B 678 8.680 3.424 7.466 1.00 0.00 O ATOM 1966 CB SER B 678 7.961 6.452 8.839 1.00 0.00 C ATOM 1967 OG SER B 678 7.023 7.516 8.872 1.00 0.00 O ATOM 0 H SER B 678 6.363 4.338 7.919 1.00 0.00 H new ATOM 0 HA SER B 678 8.093 6.389 6.694 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.762 5.764 9.661 1.00 0.00 H new ATOM 0 HB3 SER B 678 8.966 6.847 8.990 1.00 0.00 H new ATOM 0 HG SER B 678 7.084 7.979 9.733 1.00 0.00 H new ATOM 1973 N VAL B 679 10.227 5.059 7.475 1.00 0.00 N ATOM 1974 CA VAL B 679 11.371 4.172 7.486 1.00 0.00 C ATOM 1975 C VAL B 679 11.302 3.169 8.644 1.00 0.00 C ATOM 1976 O VAL B 679 10.949 3.516 9.773 1.00 0.00 O ATOM 1977 CB VAL B 679 12.674 5.003 7.526 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.552 6.155 8.508 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.883 4.142 7.853 1.00 0.00 C ATOM 0 H VAL B 679 10.472 6.049 7.459 1.00 0.00 H new ATOM 0 HA VAL B 679 11.362 3.583 6.569 1.00 0.00 H new ATOM 0 HB VAL B 679 12.826 5.415 6.529 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.481 6.725 8.518 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.731 6.805 8.206 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.356 5.763 9.506 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.778 4.764 7.871 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.745 3.676 8.829 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.994 3.368 7.094 1.00 0.00 H new ATOM 1989 N GLY B 680 11.613 1.917 8.332 1.00 0.00 N ATOM 1990 CA GLY B 680 11.516 0.842 9.298 1.00 0.00 C ATOM 1991 C GLY B 680 10.301 -0.033 9.074 1.00 0.00 C ATOM 1992 O GLY B 680 10.188 -1.107 9.664 1.00 0.00 O ATOM 0 H GLY B 680 11.936 1.625 7.410 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.416 0.229 9.245 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.476 1.263 10.302 1.00 0.00 H new ATOM 1996 N ASP B 681 9.392 0.415 8.219 1.00 0.00 N ATOM 1997 CA ASP B 681 8.167 -0.333 7.966 1.00 0.00 C ATOM 1998 C ASP B 681 8.331 -1.239 6.751 1.00 0.00 C ATOM 1999 O ASP B 681 8.530 -0.762 5.637 1.00 0.00 O ATOM 2000 CB ASP B 681 6.964 0.604 7.752 1.00 0.00 C ATOM 2001 CG ASP B 681 6.656 1.483 8.951 1.00 0.00 C ATOM 2002 OD1 ASP B 681 6.983 1.089 10.093 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 6.072 2.572 8.761 1.00 0.00 O ATOM 0 H ASP B 681 9.477 1.285 7.693 1.00 0.00 H new ATOM 0 HA ASP B 681 7.974 -0.943 8.848 1.00 0.00 H new ATOM 0 HB2 ASP B 681 7.158 1.239 6.887 1.00 0.00 H new ATOM 0 HB3 ASP B 681 6.085 0.004 7.516 1.00 0.00 H new ATOM 2008 N VAL B 682 8.245 -2.547 6.952 1.00 0.00 N ATOM 2009 CA VAL B 682 8.343 -3.469 5.829 1.00 0.00 C ATOM 2010 C VAL B 682 7.086 -3.398 4.977 1.00 0.00 C ATOM 2011 O VAL B 682 6.039 -3.884 5.367 1.00 0.00 O ATOM 2012 CB VAL B 682 8.622 -4.929 6.274 1.00 0.00 C ATOM 2013 CG1 VAL B 682 7.833 -5.287 7.495 1.00 0.00 C ATOM 2014 CG2 VAL B 682 8.352 -5.916 5.155 1.00 0.00 C ATOM 0 H VAL B 682 8.110 -2.987 7.862 1.00 0.00 H new ATOM 0 HA VAL B 682 9.200 -3.156 5.232 1.00 0.00 H new ATOM 0 HB VAL B 682 9.681 -4.990 6.524 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.051 -6.316 7.780 1.00 0.00 H new ATOM 0 HG12 VAL B 682 8.104 -4.618 8.312 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.769 -5.188 7.282 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.559 -6.928 5.504 1.00 0.00 H new ATOM 0 HG22 VAL B 682 7.308 -5.844 4.850 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.995 -5.687 4.305 1.00 0.00 H new ATOM 2024 N CYS B 683 7.206 -2.795 3.806 1.00 0.00 N ATOM 2025 CA CYS B 683 6.057 -2.553 2.950 1.00 0.00 C ATOM 2026 C CYS B 683 5.630 -3.818 2.235 1.00 0.00 C ATOM 2027 O CYS B 683 6.460 -4.639 1.829 1.00 0.00 O ATOM 2028 CB CYS B 683 6.364 -1.445 1.941 1.00 0.00 C ATOM 2029 SG CYS B 683 6.677 0.157 2.718 1.00 0.00 S ATOM 0 H CYS B 683 8.092 -2.463 3.425 1.00 0.00 H new ATOM 0 HA CYS B 683 5.230 -2.230 3.582 1.00 0.00 H new ATOM 0 HB2 CYS B 683 7.234 -1.731 1.350 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.527 -1.349 1.250 1.00 0.00 H new ATOM 0 HG CYS B 683 7.714 0.712 2.165 1.00 0.00 H new ATOM 2035 N ILE B 684 4.327 -3.973 2.117 1.00 0.00 N ATOM 2036 CA ILE B 684 3.740 -5.081 1.407 1.00 0.00 C ATOM 2037 C ILE B 684 3.758 -4.801 -0.087 1.00 0.00 C ATOM 2038 O ILE B 684 3.194 -3.804 -0.537 1.00 0.00 O ATOM 2039 CB ILE B 684 2.272 -5.306 1.843 1.00 0.00 C ATOM 2040 CG1 ILE B 684 2.212 -5.914 3.237 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.518 -6.184 0.847 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.803 -6.001 3.782 1.00 0.00 C ATOM 0 H ILE B 684 3.645 -3.327 2.515 1.00 0.00 H new ATOM 0 HA ILE B 684 4.324 -5.972 1.637 1.00 0.00 H new ATOM 0 HB ILE B 684 1.784 -4.332 1.864 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.648 -6.912 3.211 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.822 -5.317 3.915 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.491 -6.320 1.186 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.516 -5.705 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE B 684 2.008 -7.155 0.775 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.825 -6.443 4.778 1.00 0.00 H new ATOM 0 HD12 ILE B 684 0.372 -5.001 3.838 1.00 0.00 H new ATOM 0 HD13 ILE B 684 0.196 -6.622 3.123 1.00 0.00 H new ATOM 2054 N SER B 685 4.414 -5.645 -0.852 1.00 0.00 N ATOM 2055 CA SER B 685 4.279 -5.568 -2.288 1.00 0.00 C ATOM 2056 C SER B 685 3.278 -6.618 -2.717 1.00 0.00 C ATOM 2057 O SER B 685 3.489 -7.812 -2.506 1.00 0.00 O ATOM 2058 CB SER B 685 5.621 -5.792 -2.983 1.00 0.00 C ATOM 2059 OG SER B 685 5.603 -5.306 -4.312 1.00 0.00 O ATOM 0 H SER B 685 5.035 -6.379 -0.512 1.00 0.00 H new ATOM 0 HA SER B 685 3.934 -4.574 -2.572 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.411 -5.292 -2.422 1.00 0.00 H new ATOM 0 HB3 SER B 685 5.857 -6.856 -2.987 1.00 0.00 H new ATOM 0 HG SER B 685 6.476 -5.462 -4.729 1.00 0.00 H new ATOM 2065 N LEU B 686 2.182 -6.181 -3.293 1.00 0.00 N ATOM 2066 CA LEU B 686 1.157 -7.101 -3.711 1.00 0.00 C ATOM 2067 C LEU B 686 1.334 -7.412 -5.180 1.00 0.00 C ATOM 2068 O LEU B 686 1.301 -6.520 -6.024 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.225 -6.511 -3.449 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.303 -7.519 -3.050 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.566 -8.524 -4.157 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.910 -8.239 -1.773 1.00 0.00 C ATOM 0 H LEU B 686 1.980 -5.199 -3.481 1.00 0.00 H new ATOM 0 HA LEU B 686 1.243 -8.024 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.139 -5.765 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.555 -5.988 -4.347 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.224 -6.963 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -2.338 -9.224 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.900 -8.000 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.649 -9.071 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.688 -8.953 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.030 -8.769 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.789 -7.513 -0.969 1.00 0.00 H new ATOM 2084 N THR B 687 1.507 -8.677 -5.488 1.00 0.00 N ATOM 2085 CA THR B 687 1.763 -9.070 -6.847 1.00 0.00 C ATOM 2086 C THR B 687 0.484 -9.538 -7.524 1.00 0.00 C ATOM 2087 O THR B 687 -0.142 -10.511 -7.105 1.00 0.00 O ATOM 2088 CB THR B 687 2.814 -10.186 -6.890 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.001 -9.762 -6.204 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.155 -10.555 -8.320 1.00 0.00 C ATOM 0 H THR B 687 1.475 -9.445 -4.817 1.00 0.00 H new ATOM 0 HA THR B 687 2.143 -8.202 -7.385 1.00 0.00 H new ATOM 0 HB THR B 687 2.400 -11.065 -6.397 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.783 -9.925 -6.772 1.00 0.00 H new ATOM 0 HG21 THR B 687 3.902 -11.348 -8.323 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.256 -10.901 -8.831 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.552 -9.681 -8.837 1.00 0.00 H new ATOM 2098 N LEU B 688 0.103 -8.812 -8.562 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.025 -9.174 -9.400 1.00 0.00 C ATOM 2100 C LEU B 688 -0.499 -9.862 -10.654 1.00 0.00 C ATOM 2101 O LEU B 688 -0.043 -9.197 -11.586 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.822 -7.915 -9.783 1.00 0.00 C ATOM 2103 CG LEU B 688 -3.076 -7.601 -8.947 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -4.198 -8.562 -9.295 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -2.789 -7.637 -7.446 1.00 0.00 C ATOM 0 H LEU B 688 0.570 -7.951 -8.847 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.687 -9.849 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.151 -7.058 -9.723 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.125 -8.010 -10.826 1.00 0.00 H new ATOM 0 HG LEU B 688 -3.386 -6.586 -9.194 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -5.077 -8.327 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -4.444 -8.467 -10.353 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -3.880 -9.584 -9.087 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -3.702 -7.410 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -2.435 -8.629 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -2.026 -6.898 -7.204 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.529 -11.184 -10.664 1.00 0.00 N ATOM 2118 CA LYS B 689 0.026 -11.947 -11.769 1.00 0.00 C ATOM 2119 C LYS B 689 -0.908 -11.924 -12.972 1.00 0.00 C ATOM 2120 O LYS B 689 -1.904 -12.679 -12.969 1.00 0.00 O ATOM 2121 CB LYS B 689 0.310 -13.377 -11.338 1.00 0.00 C ATOM 2122 CG LYS B 689 1.440 -13.477 -10.330 1.00 0.00 C ATOM 2123 CD LYS B 689 2.772 -13.016 -10.908 1.00 0.00 C ATOM 2124 CE LYS B 689 3.273 -13.936 -12.011 1.00 0.00 C ATOM 2125 NZ LYS B 689 4.615 -13.527 -12.507 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -0.651 -11.145 -13.913 1.00 0.00 O ATOM 0 H LYS B 689 -0.932 -11.752 -9.919 1.00 0.00 H new ATOM 0 HA LYS B 689 0.966 -11.481 -12.065 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.594 -13.807 -10.907 1.00 0.00 H new ATOM 0 HB3 LYS B 689 0.559 -13.973 -12.216 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.198 -12.874 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.531 -14.509 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.664 -12.005 -11.302 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.515 -12.970 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS B 689 3.320 -14.959 -11.637 1.00 0.00 H new ATOM 0 HE3 LYS B 689 2.563 -13.931 -12.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 4.921 -14.179 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 4.565 -12.560 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 5.298 -13.556 -11.724 1.00 0.00 H new