USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=33 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 660 SER OG : rot 1:sc= -1.51! USER MOD Set 1.2: B 674 CYS SG : rot -61:sc= -6.4! USER MOD Set 2.1: B 631 GLN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Set 2.2: B 642 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.618 K(o=-0.62,f=-1.4) USER MOD Single : A 39 SER OG : rot 180:sc= -0.925 USER MOD Single : B 574 TYR OH : rot 180:sc= 0 USER MOD Single : B 576 MET CE :methyl -150:sc= -0.0646 (180deg=-0.761) USER MOD Single : B 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 579 SER OG : rot 79:sc= 1.23 USER MOD Single : B 582 GLN : amide:sc= -0.0347 K(o=-0.035,f=-0.97) USER MOD Single : B 585 ASN : amide:sc= -3.15! C(o=-3.2!,f=-9.9!) USER MOD Single : B 589 LYS NZ :NH3+ -108:sc= 1.33 (180deg=-0.714) USER MOD Single : B 590 LYS NZ :NH3+ -126:sc= -0.0842 (180deg=-0.36) USER MOD Single : B 595 LYS NZ :NH3+ -126:sc= 0.17 (180deg=-0.196) USER MOD Single : B 596 THR OG1 : rot -134:sc= -3.19! USER MOD Single : B 601 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 602 SER OG : rot 61:sc= -1.82! USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 47:sc= 0.0446 USER MOD Single : B 614 SER OG : rot 73:sc= -0.0662 USER MOD Single : B 615 THR OG1 : rot 180:sc= -2.35! USER MOD Single : B 622 SER OG : rot -136:sc= 1.23 USER MOD Single : B 623 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.22) USER MOD Single : B 624 SER OG : rot 17:sc= 0.605 USER MOD Single : B 637 HIS :FLIP no HE2:sc= -0.3 F(o=-0.89,f=-0.3) USER MOD Single : B 640 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -5.24! C(o=-10!,f=-5.2!) USER MOD Single : B 659 SER OG : rot 180:sc= -0.937 USER MOD Single : B 661 CYS SG : rot 76:sc= -0.0315 USER MOD Single : B 662 CYS SG : rot 180:sc= -1.4! USER MOD Single : B 666 THR OG1 : rot 77:sc= 0.585 USER MOD Single : B 667 SER OG : rot 180:sc= 0 USER MOD Single : B 668 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 675 SER OG : rot 78:sc= 0.199 USER MOD Single : B 676 LYS NZ :NH3+ 142:sc= 1.31 (180deg=0.93) USER MOD Single : B 678 SER OG : rot 180:sc= -0.103 USER MOD Single : B 683 CYS SG : rot 148:sc= -2.35! USER MOD Single : B 685 SER OG : rot 180:sc= -0.664 USER MOD Single : B 687 THR OG1 : rot -150:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 156:sc= -0.91 (180deg=-1.93!) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -14.871 -3.761 -4.789 1.00 0.00 N ATOM 20 CA PHE A 35 -13.698 -3.568 -5.619 1.00 0.00 C ATOM 21 C PHE A 35 -12.616 -4.550 -5.208 1.00 0.00 C ATOM 22 O PHE A 35 -12.360 -4.728 -4.014 1.00 0.00 O ATOM 23 CB PHE A 35 -13.197 -2.125 -5.514 1.00 0.00 C ATOM 24 CG PHE A 35 -13.929 -1.194 -6.434 1.00 0.00 C ATOM 25 CD1 PHE A 35 -15.306 -1.081 -6.364 1.00 0.00 C ATOM 26 CD2 PHE A 35 -13.248 -0.460 -7.389 1.00 0.00 C ATOM 27 CE1 PHE A 35 -15.991 -0.253 -7.222 1.00 0.00 C ATOM 28 CE2 PHE A 35 -13.930 0.369 -8.256 1.00 0.00 C ATOM 29 CZ PHE A 35 -15.303 0.474 -8.172 1.00 0.00 C ATOM 0 HA PHE A 35 -13.962 -3.753 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -13.310 -1.779 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.132 -2.096 -5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -15.850 -1.651 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.173 -0.537 -7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.066 -0.172 -7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.389 0.935 -9.000 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.838 1.124 -8.848 1.00 0.00 H new ATOM 39 N PRO A 36 -12.006 -5.237 -6.197 1.00 0.00 N ATOM 40 CA PRO A 36 -10.916 -6.183 -5.954 1.00 0.00 C ATOM 41 C PRO A 36 -9.866 -5.589 -5.030 1.00 0.00 C ATOM 42 O PRO A 36 -9.366 -4.486 -5.279 1.00 0.00 O ATOM 43 CB PRO A 36 -10.339 -6.423 -7.348 1.00 0.00 C ATOM 44 CG PRO A 36 -11.489 -6.209 -8.270 1.00 0.00 C ATOM 45 CD PRO A 36 -12.346 -5.147 -7.632 1.00 0.00 C ATOM 0 HA PRO A 36 -11.253 -7.097 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.523 -5.733 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.937 -7.432 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.145 -5.892 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.052 -7.132 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.125 -4.159 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.406 -5.331 -7.804 1.00 0.00 H new ATOM 53 N TRP A 37 -9.543 -6.335 -3.976 1.00 0.00 N ATOM 54 CA TRP A 37 -8.750 -5.838 -2.856 1.00 0.00 C ATOM 55 C TRP A 37 -7.499 -5.061 -3.275 1.00 0.00 C ATOM 56 O TRP A 37 -7.106 -4.115 -2.590 1.00 0.00 O ATOM 57 CB TRP A 37 -8.371 -6.980 -1.909 1.00 0.00 C ATOM 58 CG TRP A 37 -7.815 -8.198 -2.587 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.513 -9.129 -3.298 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.453 -8.636 -2.587 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.669 -10.105 -3.761 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.400 -9.829 -3.333 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.273 -8.135 -2.037 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -5.217 -10.525 -3.541 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -4.097 -8.830 -2.241 1.00 0.00 C ATOM 66 CH2 TRP A 37 -4.078 -10.015 -2.988 1.00 0.00 C ATOM 0 H TRP A 37 -9.827 -7.309 -3.875 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.391 -5.126 -2.336 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.636 -6.612 -1.193 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.254 -7.269 -1.339 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.579 -9.101 -3.472 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.943 -10.905 -4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.279 -7.221 -1.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.199 -11.437 -4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.177 -8.454 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.143 -10.536 -3.129 1.00 0.00 H new ATOM 77 N HIS A 38 -6.866 -5.449 -4.382 1.00 0.00 N ATOM 78 CA HIS A 38 -5.718 -4.708 -4.896 1.00 0.00 C ATOM 79 C HIS A 38 -6.137 -3.359 -5.501 1.00 0.00 C ATOM 80 O HIS A 38 -5.910 -3.085 -6.676 1.00 0.00 O ATOM 81 CB HIS A 38 -4.957 -5.546 -5.927 1.00 0.00 C ATOM 82 CG HIS A 38 -5.789 -6.034 -7.078 1.00 0.00 C ATOM 83 ND1 HIS A 38 -5.933 -5.338 -8.261 1.00 0.00 N ATOM 84 CD2 HIS A 38 -6.509 -7.170 -7.225 1.00 0.00 C ATOM 85 CE1 HIS A 38 -6.705 -6.026 -9.082 1.00 0.00 C ATOM 86 NE2 HIS A 38 -7.064 -7.139 -8.476 1.00 0.00 N ATOM 0 H HIS A 38 -7.127 -6.265 -4.935 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.057 -4.500 -4.055 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.131 -4.952 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.519 -6.407 -5.423 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.509 -4.434 -8.469 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.624 -7.955 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.993 -5.727 -10.079 1.00 0.00 H new ATOM 95 N SER A 39 -6.745 -2.525 -4.683 1.00 0.00 N ATOM 96 CA SER A 39 -7.210 -1.215 -5.109 1.00 0.00 C ATOM 97 C SER A 39 -6.473 -0.123 -4.335 1.00 0.00 C ATOM 98 O SER A 39 -6.398 1.034 -4.760 1.00 0.00 O ATOM 99 CB SER A 39 -8.726 -1.134 -4.879 1.00 0.00 C ATOM 100 OG SER A 39 -9.226 0.176 -5.072 1.00 0.00 O ATOM 0 H SER A 39 -6.932 -2.734 -3.702 1.00 0.00 H new ATOM 0 HA SER A 39 -7.003 -1.066 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.232 -1.818 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.956 -1.464 -3.866 1.00 0.00 H new ATOM 0 HG SER A 39 -10.194 0.183 -4.917 1.00 0.00 H new ATOM 106 N LEU A 40 -5.898 -0.523 -3.211 1.00 0.00 N ATOM 107 CA LEU A 40 -5.248 0.396 -2.284 1.00 0.00 C ATOM 108 C LEU A 40 -3.839 -0.084 -1.958 1.00 0.00 C ATOM 109 O LEU A 40 -3.122 0.543 -1.183 1.00 0.00 O ATOM 110 CB LEU A 40 -6.075 0.504 -0.996 1.00 0.00 C ATOM 111 CG LEU A 40 -7.003 -0.690 -0.723 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.248 -0.855 0.760 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.333 -0.508 -1.434 1.00 0.00 C ATOM 0 H LEU A 40 -5.868 -1.498 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.181 1.378 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.394 0.617 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.678 1.411 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.510 -1.585 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.908 -1.706 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.299 -1.026 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.714 0.048 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.976 -1.364 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.815 0.402 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.164 -0.431 -2.508 1.00 0.00 H new ATOM 125 N VAL A 41 -3.451 -1.207 -2.548 1.00 0.00 N ATOM 126 CA VAL A 41 -2.145 -1.770 -2.320 1.00 0.00 C ATOM 127 C VAL A 41 -1.358 -1.862 -3.630 1.00 0.00 C ATOM 128 O VAL A 41 -1.704 -2.629 -4.529 1.00 0.00 O ATOM 129 CB VAL A 41 -2.253 -3.164 -1.660 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.120 -4.110 -2.483 1.00 0.00 C ATOM 131 CG2 VAL A 41 -0.876 -3.743 -1.458 1.00 0.00 C ATOM 0 H VAL A 41 -4.034 -1.743 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.609 -1.108 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.736 -3.044 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.172 -5.079 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.124 -3.695 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.685 -4.232 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.959 -4.725 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.377 -3.839 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.295 -3.084 -0.813 1.00 0.00 H new ATOM 141 N PRO A 42 -0.315 -1.043 -3.770 1.00 0.00 N ATOM 142 CA PRO A 42 0.558 -1.072 -4.928 1.00 0.00 C ATOM 143 C PRO A 42 1.758 -1.988 -4.712 1.00 0.00 C ATOM 144 O PRO A 42 1.807 -2.760 -3.751 1.00 0.00 O ATOM 145 CB PRO A 42 1.002 0.385 -5.025 1.00 0.00 C ATOM 146 CG PRO A 42 1.052 0.863 -3.609 1.00 0.00 C ATOM 147 CD PRO A 42 0.099 -0.001 -2.813 1.00 0.00 C ATOM 0 HA PRO A 42 0.071 -1.455 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.976 0.471 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.301 0.974 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.064 0.786 -3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.764 1.912 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.586 -0.432 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.755 0.573 -2.452 1.00 0.00 H new ATOM 155 N PHE A 43 2.718 -1.907 -5.614 1.00 0.00 N ATOM 156 CA PHE A 43 3.961 -2.644 -5.474 1.00 0.00 C ATOM 157 C PHE A 43 5.124 -1.665 -5.382 1.00 0.00 C ATOM 158 O PHE A 43 5.089 -0.599 -5.999 1.00 0.00 O ATOM 159 CB PHE A 43 4.154 -3.630 -6.639 1.00 0.00 C ATOM 160 CG PHE A 43 3.969 -3.033 -8.010 1.00 0.00 C ATOM 161 CD1 PHE A 43 5.036 -2.458 -8.681 1.00 0.00 C ATOM 162 CD2 PHE A 43 2.729 -3.057 -8.629 1.00 0.00 C ATOM 163 CE1 PHE A 43 4.871 -1.915 -9.942 1.00 0.00 C ATOM 164 CE2 PHE A 43 2.557 -2.516 -9.890 1.00 0.00 C ATOM 165 CZ PHE A 43 3.630 -1.944 -10.547 1.00 0.00 C ATOM 0 H PHE A 43 2.660 -1.335 -6.456 1.00 0.00 H new ATOM 0 HA PHE A 43 3.923 -3.233 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.156 -4.054 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.451 -4.454 -6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.009 -2.434 -8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.887 -3.503 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.711 -1.469 -10.453 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.585 -2.540 -10.361 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.498 -1.520 -11.532 1.00 0.00 H new ATOM 300 N LEU B 571 -17.599 9.694 -2.451 1.00 0.00 N ATOM 301 CA LEU B 571 -16.291 9.614 -3.063 1.00 0.00 C ATOM 302 C LEU B 571 -16.277 8.506 -4.109 1.00 0.00 C ATOM 303 O LEU B 571 -17.159 7.648 -4.100 1.00 0.00 O ATOM 304 CB LEU B 571 -15.252 9.320 -1.987 1.00 0.00 C ATOM 305 CG LEU B 571 -15.062 10.406 -0.944 1.00 0.00 C ATOM 306 CD1 LEU B 571 -14.517 9.810 0.340 1.00 0.00 C ATOM 307 CD2 LEU B 571 -14.114 11.449 -1.481 1.00 0.00 C ATOM 0 HA LEU B 571 -16.057 10.562 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.533 8.398 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.294 9.137 -2.473 1.00 0.00 H new ATOM 0 HG LEU B 571 -16.023 10.871 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -14.385 10.599 1.080 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -15.217 9.067 0.722 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -13.556 9.335 0.141 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -13.974 12.232 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.153 10.986 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -14.529 11.884 -2.390 1.00 0.00 H new ATOM 319 N PRO B 572 -15.298 8.518 -5.034 1.00 0.00 N ATOM 320 CA PRO B 572 -15.105 7.426 -5.993 1.00 0.00 C ATOM 321 C PRO B 572 -15.123 6.050 -5.313 1.00 0.00 C ATOM 322 O PRO B 572 -14.759 5.913 -4.147 1.00 0.00 O ATOM 323 CB PRO B 572 -13.734 7.731 -6.595 1.00 0.00 C ATOM 324 CG PRO B 572 -13.620 9.212 -6.513 1.00 0.00 C ATOM 325 CD PRO B 572 -14.332 9.613 -5.249 1.00 0.00 C ATOM 0 HA PRO B 572 -15.901 7.375 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -12.936 7.239 -6.038 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -13.665 7.383 -7.626 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -12.575 9.522 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.073 9.687 -7.383 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -13.640 9.708 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -14.833 10.575 -5.359 1.00 0.00 H new ATOM 333 N PRO B 573 -15.542 5.018 -6.042 1.00 0.00 N ATOM 334 CA PRO B 573 -15.842 3.705 -5.466 1.00 0.00 C ATOM 335 C PRO B 573 -14.618 2.830 -5.198 1.00 0.00 C ATOM 336 O PRO B 573 -14.741 1.765 -4.601 1.00 0.00 O ATOM 337 CB PRO B 573 -16.715 3.075 -6.540 1.00 0.00 C ATOM 338 CG PRO B 573 -16.182 3.637 -7.807 1.00 0.00 C ATOM 339 CD PRO B 573 -15.755 5.041 -7.498 1.00 0.00 C ATOM 0 HA PRO B 573 -16.301 3.801 -4.482 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -16.645 1.987 -6.525 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -17.766 3.329 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -15.341 3.046 -8.171 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -16.942 3.625 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -14.845 5.312 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -16.519 5.765 -7.781 1.00 0.00 H new ATOM 347 N TYR B 574 -13.455 3.266 -5.662 1.00 0.00 N ATOM 348 CA TYR B 574 -12.229 2.468 -5.524 1.00 0.00 C ATOM 349 C TYR B 574 -11.770 2.266 -4.078 1.00 0.00 C ATOM 350 O TYR B 574 -12.240 1.365 -3.392 1.00 0.00 O ATOM 351 CB TYR B 574 -11.090 3.052 -6.356 1.00 0.00 C ATOM 352 CG TYR B 574 -10.938 2.394 -7.701 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.174 1.244 -7.835 1.00 0.00 C ATOM 354 CD2 TYR B 574 -11.550 2.913 -8.830 1.00 0.00 C ATOM 355 CE1 TYR B 574 -10.021 0.627 -9.056 1.00 0.00 C ATOM 356 CE2 TYR B 574 -11.404 2.302 -10.060 1.00 0.00 C ATOM 357 CZ TYR B 574 -10.639 1.160 -10.169 1.00 0.00 C ATOM 358 OH TYR B 574 -10.490 0.554 -11.398 1.00 0.00 O ATOM 0 H TYR B 574 -13.327 4.161 -6.135 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.492 1.481 -5.904 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -11.263 4.119 -6.498 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -10.156 2.952 -5.802 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -9.690 0.825 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -12.149 3.808 -8.747 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -9.422 -0.267 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -11.887 2.717 -10.932 1.00 0.00 H new ATOM 0 HH TYR B 574 -10.991 1.057 -12.074 1.00 0.00 H new ATOM 368 N PHE B 575 -10.821 3.075 -3.629 1.00 0.00 N ATOM 369 CA PHE B 575 -10.246 2.906 -2.297 1.00 0.00 C ATOM 370 C PHE B 575 -10.631 4.073 -1.408 1.00 0.00 C ATOM 371 O PHE B 575 -10.184 4.179 -0.270 1.00 0.00 O ATOM 372 CB PHE B 575 -8.718 2.806 -2.378 1.00 0.00 C ATOM 373 CG PHE B 575 -8.048 4.116 -2.675 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.025 4.629 -3.961 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.460 4.845 -1.654 1.00 0.00 C ATOM 376 CE1 PHE B 575 -7.425 5.844 -4.221 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.867 6.059 -1.909 1.00 0.00 C ATOM 378 CZ PHE B 575 -6.848 6.559 -3.192 1.00 0.00 C ATOM 0 H PHE B 575 -10.432 3.852 -4.163 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.639 1.983 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.337 2.418 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.449 2.086 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -8.481 4.073 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -7.468 4.455 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -7.407 6.234 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -6.416 6.620 -1.104 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.381 7.512 -3.393 1.00 0.00 H new ATOM 388 N MET B 576 -11.458 4.951 -1.946 1.00 0.00 N ATOM 389 CA MET B 576 -11.872 6.151 -1.224 1.00 0.00 C ATOM 390 C MET B 576 -12.649 5.763 0.030 1.00 0.00 C ATOM 391 O MET B 576 -13.170 4.650 0.118 1.00 0.00 O ATOM 392 CB MET B 576 -12.730 7.037 -2.118 1.00 0.00 C ATOM 393 CG MET B 576 -12.160 7.227 -3.513 1.00 0.00 C ATOM 394 SD MET B 576 -10.547 8.019 -3.527 1.00 0.00 S ATOM 395 CE MET B 576 -10.148 7.936 -5.273 1.00 0.00 C ATOM 0 H MET B 576 -11.859 4.860 -2.880 1.00 0.00 H new ATOM 0 HA MET B 576 -10.982 6.709 -0.932 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.726 6.602 -2.198 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.845 8.013 -1.646 1.00 0.00 H new ATOM 0 HG2 MET B 576 -12.083 6.255 -4.001 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.855 7.825 -4.102 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.067 7.870 -5.396 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.618 7.056 -5.712 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.516 8.832 -5.773 1.00 0.00 H new ATOM 405 N LYS B 577 -12.731 6.675 0.990 1.00 0.00 N ATOM 406 CA LYS B 577 -13.357 6.373 2.275 1.00 0.00 C ATOM 407 C LYS B 577 -14.785 5.858 2.099 1.00 0.00 C ATOM 408 O LYS B 577 -15.624 6.514 1.478 1.00 0.00 O ATOM 409 CB LYS B 577 -13.367 7.601 3.187 1.00 0.00 C ATOM 410 CG LYS B 577 -13.804 7.267 4.604 1.00 0.00 C ATOM 411 CD LYS B 577 -13.813 8.486 5.504 1.00 0.00 C ATOM 412 CE LYS B 577 -14.118 8.100 6.942 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.046 9.266 7.858 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.374 7.627 0.906 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.759 5.589 2.740 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.370 8.040 3.211 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -14.037 8.354 2.771 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -14.801 6.828 4.581 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.134 6.515 5.021 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -12.845 8.985 5.455 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.558 9.199 5.149 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.113 7.658 6.995 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -13.412 7.337 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -14.261 8.959 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -13.089 9.673 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -14.737 9.984 7.561 1.00 0.00 H new ATOM 427 N GLY B 578 -15.043 4.677 2.645 1.00 0.00 N ATOM 428 CA GLY B 578 -16.374 4.103 2.607 1.00 0.00 C ATOM 429 C GLY B 578 -16.512 3.006 1.574 1.00 0.00 C ATOM 430 O GLY B 578 -17.508 2.283 1.562 1.00 0.00 O ATOM 0 H GLY B 578 -14.347 4.101 3.118 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.620 3.702 3.590 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -17.098 4.890 2.393 1.00 0.00 H new ATOM 434 N SER B 579 -15.515 2.873 0.713 1.00 0.00 N ATOM 435 CA SER B 579 -15.546 1.858 -0.327 1.00 0.00 C ATOM 436 C SER B 579 -15.417 0.469 0.281 1.00 0.00 C ATOM 437 O SER B 579 -14.645 0.262 1.224 1.00 0.00 O ATOM 438 CB SER B 579 -14.433 2.111 -1.338 1.00 0.00 C ATOM 439 OG SER B 579 -14.486 3.447 -1.818 1.00 0.00 O ATOM 0 H SER B 579 -14.677 3.454 0.714 1.00 0.00 H new ATOM 0 HA SER B 579 -16.504 1.914 -0.845 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.464 1.924 -0.875 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.527 1.415 -2.172 1.00 0.00 H new ATOM 0 HG SER B 579 -14.097 4.050 -1.151 1.00 0.00 H new ATOM 445 N ILE B 580 -16.194 -0.472 -0.234 1.00 0.00 N ATOM 446 CA ILE B 580 -16.162 -1.829 0.260 1.00 0.00 C ATOM 447 C ILE B 580 -15.152 -2.645 -0.522 1.00 0.00 C ATOM 448 O ILE B 580 -15.353 -2.973 -1.697 1.00 0.00 O ATOM 449 CB ILE B 580 -17.552 -2.496 0.207 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.505 -1.801 1.188 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.451 -3.983 0.515 1.00 0.00 C ATOM 452 CD1 ILE B 580 -17.987 -1.749 2.614 1.00 0.00 C ATOM 0 H ILE B 580 -16.854 -0.314 -0.996 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.861 -1.792 1.307 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.951 -2.390 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.690 -0.784 0.841 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.463 -2.320 1.178 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.443 -4.432 0.472 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.803 -4.463 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.034 -4.120 1.513 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.716 -1.243 3.248 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -17.829 -2.763 2.981 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.044 -1.203 2.639 1.00 0.00 H new ATOM 464 N ILE B 581 -14.060 -2.949 0.141 1.00 0.00 N ATOM 465 CA ILE B 581 -12.966 -3.662 -0.473 1.00 0.00 C ATOM 466 C ILE B 581 -13.156 -5.158 -0.276 1.00 0.00 C ATOM 467 O ILE B 581 -13.365 -5.619 0.849 1.00 0.00 O ATOM 468 CB ILE B 581 -11.623 -3.222 0.138 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.539 -1.694 0.223 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.464 -3.765 -0.670 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.728 -0.982 -1.100 1.00 0.00 C ATOM 0 H ILE B 581 -13.906 -2.709 1.120 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.954 -3.434 -1.539 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.563 -3.629 1.148 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.295 -1.339 0.924 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.568 -1.418 0.635 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.525 -3.442 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.506 -4.854 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.525 -3.390 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.653 0.095 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.957 -1.304 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.710 -1.224 -1.506 1.00 0.00 H new ATOM 483 N GLN B 582 -13.109 -5.909 -1.365 1.00 0.00 N ATOM 484 CA GLN B 582 -13.314 -7.344 -1.295 1.00 0.00 C ATOM 485 C GLN B 582 -12.002 -8.087 -1.430 1.00 0.00 C ATOM 486 O GLN B 582 -11.313 -7.986 -2.446 1.00 0.00 O ATOM 487 CB GLN B 582 -14.292 -7.809 -2.362 1.00 0.00 C ATOM 488 CG GLN B 582 -14.452 -9.324 -2.417 1.00 0.00 C ATOM 489 CD GLN B 582 -15.186 -9.793 -3.655 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.095 -9.179 -4.714 1.00 0.00 O ATOM 491 NE2 GLN B 582 -15.919 -10.887 -3.531 1.00 0.00 N ATOM 0 H GLN B 582 -12.931 -5.549 -2.303 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.739 -7.568 -0.317 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -15.265 -7.355 -2.175 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.954 -7.451 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.467 -9.790 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.991 -9.660 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -15.969 -11.369 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.435 -11.249 -4.333 1.00 0.00 H new ATOM 500 N LEU B 583 -11.677 -8.843 -0.400 1.00 0.00 N ATOM 501 CA LEU B 583 -10.436 -9.588 -0.353 1.00 0.00 C ATOM 502 C LEU B 583 -10.549 -10.871 -1.151 1.00 0.00 C ATOM 503 O LEU B 583 -11.633 -11.209 -1.629 1.00 0.00 O ATOM 504 CB LEU B 583 -10.093 -9.901 1.091 1.00 0.00 C ATOM 505 CG LEU B 583 -10.157 -8.705 2.025 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.879 -9.149 3.448 1.00 0.00 C ATOM 507 CD2 LEU B 583 -9.171 -7.632 1.565 1.00 0.00 C ATOM 0 H LEU B 583 -12.265 -8.958 0.426 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.644 -8.983 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.776 -10.668 1.456 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.089 -10.323 1.130 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.157 -8.271 1.999 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -9.926 -8.287 4.114 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.625 -9.884 3.752 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -8.886 -9.596 3.502 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.222 -6.777 2.240 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.160 -8.040 1.572 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.426 -7.313 0.555 1.00 0.00 H new ATOM 519 N ALA B 584 -9.451 -11.599 -1.290 1.00 0.00 N ATOM 520 CA ALA B 584 -9.485 -12.819 -2.080 1.00 0.00 C ATOM 521 C ALA B 584 -10.291 -13.901 -1.372 1.00 0.00 C ATOM 522 O ALA B 584 -10.871 -14.780 -2.010 1.00 0.00 O ATOM 523 CB ALA B 584 -8.089 -13.315 -2.396 1.00 0.00 C ATOM 0 H ALA B 584 -8.546 -11.374 -0.877 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.976 -12.585 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -8.153 -14.228 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -7.551 -12.553 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.557 -13.521 -1.467 1.00 0.00 H new ATOM 529 N ASN B 585 -10.337 -13.820 -0.046 1.00 0.00 N ATOM 530 CA ASN B 585 -11.083 -14.780 0.754 1.00 0.00 C ATOM 531 C ASN B 585 -12.573 -14.450 0.732 1.00 0.00 C ATOM 532 O ASN B 585 -13.404 -15.253 1.153 1.00 0.00 O ATOM 533 CB ASN B 585 -10.548 -14.811 2.193 1.00 0.00 C ATOM 534 CG ASN B 585 -10.800 -13.530 2.967 1.00 0.00 C ATOM 535 OD1 ASN B 585 -10.991 -12.463 2.390 1.00 0.00 O ATOM 536 ND2 ASN B 585 -10.767 -13.630 4.286 1.00 0.00 N ATOM 0 H ASN B 585 -9.865 -13.097 0.497 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.949 -15.772 0.322 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -11.010 -15.643 2.725 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.476 -15.005 2.168 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -10.903 -12.801 4.864 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -10.605 -14.536 4.725 1.00 0.00 H new ATOM 543 N GLY B 586 -12.904 -13.264 0.229 1.00 0.00 N ATOM 544 CA GLY B 586 -14.292 -12.895 0.046 1.00 0.00 C ATOM 545 C GLY B 586 -14.783 -11.864 1.043 1.00 0.00 C ATOM 546 O GLY B 586 -15.946 -11.464 0.989 1.00 0.00 O ATOM 0 H GLY B 586 -12.232 -12.552 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.425 -12.505 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.910 -13.789 0.126 1.00 0.00 H new ATOM 550 N GLU B 587 -13.918 -11.435 1.956 1.00 0.00 N ATOM 551 CA GLU B 587 -14.307 -10.445 2.953 1.00 0.00 C ATOM 552 C GLU B 587 -14.629 -9.105 2.336 1.00 0.00 C ATOM 553 O GLU B 587 -14.000 -8.673 1.371 1.00 0.00 O ATOM 554 CB GLU B 587 -13.233 -10.263 4.003 1.00 0.00 C ATOM 555 CG GLU B 587 -13.117 -11.442 4.927 1.00 0.00 C ATOM 556 CD GLU B 587 -12.315 -11.139 6.174 1.00 0.00 C ATOM 557 OE1 GLU B 587 -12.797 -10.357 7.021 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.198 -11.676 6.313 1.00 0.00 O ATOM 0 H GLU B 587 -12.952 -11.754 2.026 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.210 -10.834 3.424 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -12.275 -10.097 3.511 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -13.450 -9.369 4.587 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -14.116 -11.771 5.215 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.650 -12.270 4.394 1.00 0.00 H new ATOM 565 N LEU B 588 -15.613 -8.460 2.928 1.00 0.00 N ATOM 566 CA LEU B 588 -16.098 -7.174 2.463 1.00 0.00 C ATOM 567 C LEU B 588 -16.006 -6.160 3.590 1.00 0.00 C ATOM 568 O LEU B 588 -16.862 -6.118 4.473 1.00 0.00 O ATOM 569 CB LEU B 588 -17.541 -7.321 1.992 1.00 0.00 C ATOM 570 CG LEU B 588 -17.783 -8.511 1.066 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.248 -8.603 0.687 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.911 -8.406 -0.175 1.00 0.00 C ATOM 0 H LEU B 588 -16.102 -8.814 3.750 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.488 -6.826 1.629 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.187 -7.417 2.864 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.837 -6.408 1.475 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.512 -9.423 1.598 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.400 -9.457 0.027 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.850 -8.728 1.587 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.549 -7.690 0.174 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -17.096 -9.262 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.149 -7.487 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.861 -8.393 0.118 1.00 0.00 H new ATOM 584 N LYS B 589 -14.958 -5.356 3.568 1.00 0.00 N ATOM 585 CA LYS B 589 -14.648 -4.481 4.682 1.00 0.00 C ATOM 586 C LYS B 589 -14.348 -3.071 4.187 1.00 0.00 C ATOM 587 O LYS B 589 -13.933 -2.888 3.041 1.00 0.00 O ATOM 588 CB LYS B 589 -13.442 -5.056 5.434 1.00 0.00 C ATOM 589 CG LYS B 589 -13.637 -6.513 5.832 1.00 0.00 C ATOM 590 CD LYS B 589 -12.335 -7.205 6.217 1.00 0.00 C ATOM 591 CE LYS B 589 -11.896 -6.872 7.633 1.00 0.00 C ATOM 592 NZ LYS B 589 -11.141 -5.596 7.713 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.305 -5.292 2.787 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.505 -4.422 5.353 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.554 -4.971 4.808 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -13.259 -4.461 6.329 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -14.331 -6.565 6.671 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -14.097 -7.052 5.004 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -12.459 -8.284 6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.551 -6.912 5.519 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.774 -6.811 8.276 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -11.275 -7.682 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -10.137 -5.798 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -11.235 -5.080 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -11.521 -5.016 8.488 1.00 0.00 H new ATOM 606 N LYS B 590 -14.578 -2.082 5.045 1.00 0.00 N ATOM 607 CA LYS B 590 -14.272 -0.696 4.712 1.00 0.00 C ATOM 608 C LYS B 590 -12.773 -0.515 4.545 1.00 0.00 C ATOM 609 O LYS B 590 -11.993 -1.176 5.235 1.00 0.00 O ATOM 610 CB LYS B 590 -14.777 0.259 5.795 1.00 0.00 C ATOM 611 CG LYS B 590 -16.283 0.389 5.865 1.00 0.00 C ATOM 612 CD LYS B 590 -16.812 1.415 4.883 1.00 0.00 C ATOM 613 CE LYS B 590 -18.211 1.861 5.268 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.162 0.721 5.370 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.975 -2.215 5.975 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.778 -0.461 3.776 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.409 -0.082 6.763 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.348 1.246 5.621 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.740 -0.579 5.659 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.576 0.671 6.876 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.145 2.277 4.857 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.824 0.991 3.879 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.172 2.385 6.223 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.579 2.572 4.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -19.990 0.905 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -18.693 -0.152 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -19.469 0.612 6.358 1.00 0.00 H new ATOM 628 N VAL B 591 -12.382 0.370 3.641 1.00 0.00 N ATOM 629 CA VAL B 591 -10.973 0.549 3.288 1.00 0.00 C ATOM 630 C VAL B 591 -10.087 0.700 4.522 1.00 0.00 C ATOM 631 O VAL B 591 -9.083 0.006 4.670 1.00 0.00 O ATOM 632 CB VAL B 591 -10.766 1.805 2.422 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.394 1.782 1.772 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.850 1.951 1.378 1.00 0.00 C ATOM 0 H VAL B 591 -13.021 0.981 3.133 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.692 -0.348 2.736 1.00 0.00 H new ATOM 0 HB VAL B 591 -10.828 2.673 3.079 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.265 2.677 1.164 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.626 1.754 2.545 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.305 0.898 1.140 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.668 2.849 0.788 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.845 1.079 0.724 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.820 2.030 1.869 1.00 0.00 H new ATOM 644 N GLU B 592 -10.498 1.578 5.421 1.00 0.00 N ATOM 645 CA GLU B 592 -9.678 1.956 6.565 1.00 0.00 C ATOM 646 C GLU B 592 -9.611 0.844 7.607 1.00 0.00 C ATOM 647 O GLU B 592 -8.718 0.820 8.454 1.00 0.00 O ATOM 648 CB GLU B 592 -10.254 3.216 7.202 1.00 0.00 C ATOM 649 CG GLU B 592 -11.658 3.029 7.754 1.00 0.00 C ATOM 650 CD GLU B 592 -12.271 4.321 8.239 1.00 0.00 C ATOM 651 OE1 GLU B 592 -11.988 4.727 9.382 1.00 0.00 O ATOM 652 OE2 GLU B 592 -13.048 4.931 7.479 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.403 2.047 5.382 1.00 0.00 H new ATOM 0 HA GLU B 592 -8.665 2.139 6.208 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -9.595 3.540 8.008 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.267 4.015 6.461 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.294 2.598 6.980 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -11.628 2.315 8.577 1.00 0.00 H new ATOM 659 N ASP B 593 -10.553 -0.075 7.532 1.00 0.00 N ATOM 660 CA ASP B 593 -10.691 -1.117 8.534 1.00 0.00 C ATOM 661 C ASP B 593 -9.912 -2.362 8.134 1.00 0.00 C ATOM 662 O ASP B 593 -9.709 -3.273 8.941 1.00 0.00 O ATOM 663 CB ASP B 593 -12.185 -1.427 8.735 1.00 0.00 C ATOM 664 CG ASP B 593 -12.459 -2.738 9.446 1.00 0.00 C ATOM 665 OD1 ASP B 593 -12.341 -2.789 10.687 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.822 -3.721 8.762 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.241 -0.122 6.781 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.273 -0.770 9.479 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.639 -0.616 9.305 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.675 -1.446 7.761 1.00 0.00 H new ATOM 671 N LEU B 594 -9.455 -2.380 6.897 1.00 0.00 N ATOM 672 CA LEU B 594 -8.651 -3.473 6.396 1.00 0.00 C ATOM 673 C LEU B 594 -7.352 -3.576 7.182 1.00 0.00 C ATOM 674 O LEU B 594 -6.645 -2.587 7.380 1.00 0.00 O ATOM 675 CB LEU B 594 -8.356 -3.261 4.917 1.00 0.00 C ATOM 676 CG LEU B 594 -9.589 -3.197 4.018 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.235 -2.552 2.702 1.00 0.00 C ATOM 678 CD2 LEU B 594 -10.155 -4.586 3.774 1.00 0.00 C ATOM 0 H LEU B 594 -9.630 -1.641 6.216 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.204 -4.404 6.518 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.793 -2.335 4.803 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.713 -4.070 4.570 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.348 -2.598 4.522 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -10.120 -2.511 2.067 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -8.868 -1.541 2.879 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.460 -3.137 2.207 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -11.032 -4.514 3.131 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.401 -5.206 3.290 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.439 -5.036 4.726 1.00 0.00 H new ATOM 690 N LYS B 595 -7.069 -4.772 7.654 1.00 0.00 N ATOM 691 CA LYS B 595 -5.842 -5.046 8.380 1.00 0.00 C ATOM 692 C LYS B 595 -4.872 -5.789 7.479 1.00 0.00 C ATOM 693 O LYS B 595 -5.261 -6.257 6.410 1.00 0.00 O ATOM 694 CB LYS B 595 -6.129 -5.871 9.636 1.00 0.00 C ATOM 695 CG LYS B 595 -7.002 -5.156 10.654 1.00 0.00 C ATOM 696 CD LYS B 595 -6.304 -3.935 11.231 1.00 0.00 C ATOM 697 CE LYS B 595 -7.198 -3.189 12.207 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.404 -2.628 11.540 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.680 -5.582 7.547 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.398 -4.099 8.687 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.615 -6.802 9.344 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.183 -6.139 10.107 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -7.937 -4.853 10.183 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.259 -5.843 11.460 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -5.389 -4.243 11.737 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -6.010 -3.267 10.422 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -7.506 -3.864 13.005 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -6.633 -2.382 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -8.467 -1.609 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.334 -2.779 10.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -9.254 -3.104 11.903 1.00 0.00 H new ATOM 712 N THR B 596 -3.619 -5.900 7.892 1.00 0.00 N ATOM 713 CA THR B 596 -2.610 -6.519 7.051 1.00 0.00 C ATOM 714 C THR B 596 -3.002 -7.955 6.701 1.00 0.00 C ATOM 715 O THR B 596 -2.974 -8.340 5.536 1.00 0.00 O ATOM 716 CB THR B 596 -1.207 -6.483 7.711 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.195 -6.802 6.754 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.100 -7.462 8.864 1.00 0.00 C ATOM 0 H THR B 596 -3.280 -5.572 8.796 1.00 0.00 H new ATOM 0 HA THR B 596 -2.555 -5.938 6.130 1.00 0.00 H new ATOM 0 HB THR B 596 -1.064 -5.471 8.091 1.00 0.00 H new ATOM 0 HG1 THR B 596 0.431 -7.448 7.143 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.102 -7.405 9.298 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.841 -7.212 9.623 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.280 -8.474 8.500 1.00 0.00 H new ATOM 726 N GLU B 597 -3.443 -8.716 7.702 1.00 0.00 N ATOM 727 CA GLU B 597 -3.716 -10.136 7.529 1.00 0.00 C ATOM 728 C GLU B 597 -4.841 -10.367 6.538 1.00 0.00 C ATOM 729 O GLU B 597 -4.901 -11.415 5.892 1.00 0.00 O ATOM 730 CB GLU B 597 -4.028 -10.797 8.862 1.00 0.00 C ATOM 731 CG GLU B 597 -2.849 -10.802 9.815 1.00 0.00 C ATOM 732 CD GLU B 597 -3.138 -11.570 11.081 1.00 0.00 C ATOM 733 OE1 GLU B 597 -3.666 -10.966 12.033 1.00 0.00 O ATOM 734 OE2 GLU B 597 -2.841 -12.783 11.123 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.618 -8.367 8.644 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.815 -10.596 7.123 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -4.864 -10.278 9.331 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.349 -11.824 8.685 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -1.984 -11.240 9.317 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.585 -9.775 10.068 1.00 0.00 H new ATOM 741 N ASP B 598 -5.729 -9.389 6.440 1.00 0.00 N ATOM 742 CA ASP B 598 -6.779 -9.401 5.433 1.00 0.00 C ATOM 743 C ASP B 598 -6.148 -9.637 4.064 1.00 0.00 C ATOM 744 O ASP B 598 -6.519 -10.555 3.322 1.00 0.00 O ATOM 745 CB ASP B 598 -7.532 -8.058 5.428 1.00 0.00 C ATOM 746 CG ASP B 598 -8.284 -7.757 6.717 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.332 -8.622 7.616 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.831 -6.637 6.841 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.743 -8.572 7.050 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.488 -10.197 5.661 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -6.818 -7.255 5.241 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.240 -8.055 4.599 1.00 0.00 H new ATOM 753 N PHE B 599 -5.161 -8.812 3.759 1.00 0.00 N ATOM 754 CA PHE B 599 -4.437 -8.897 2.504 1.00 0.00 C ATOM 755 C PHE B 599 -3.490 -10.092 2.485 1.00 0.00 C ATOM 756 O PHE B 599 -3.319 -10.722 1.439 1.00 0.00 O ATOM 757 CB PHE B 599 -3.689 -7.593 2.227 1.00 0.00 C ATOM 758 CG PHE B 599 -4.597 -6.493 1.748 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.665 -6.067 2.522 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.394 -5.901 0.513 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.509 -5.070 2.077 1.00 0.00 C ATOM 762 CE2 PHE B 599 -5.239 -4.903 0.062 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.296 -4.488 0.844 1.00 0.00 C ATOM 0 H PHE B 599 -4.840 -8.065 4.375 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.164 -9.049 1.706 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.182 -7.270 3.136 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.917 -7.773 1.478 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.839 -6.521 3.486 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.568 -6.222 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.335 -4.746 2.693 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -5.071 -4.449 -0.903 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.956 -3.709 0.492 1.00 0.00 H new ATOM 773 N ILE B 600 -2.878 -10.403 3.638 1.00 0.00 N ATOM 774 CA ILE B 600 -2.004 -11.558 3.759 1.00 0.00 C ATOM 775 C ILE B 600 -2.686 -12.803 3.214 1.00 0.00 C ATOM 776 O ILE B 600 -2.212 -13.419 2.261 1.00 0.00 O ATOM 777 CB ILE B 600 -1.641 -11.813 5.228 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.660 -10.771 5.774 1.00 0.00 C ATOM 779 CG2 ILE B 600 -1.056 -13.208 5.411 1.00 0.00 C ATOM 780 CD1 ILE B 600 -0.410 -9.548 4.924 1.00 0.00 C ATOM 0 H ILE B 600 -2.979 -9.863 4.497 1.00 0.00 H new ATOM 0 HA ILE B 600 -1.101 -11.347 3.186 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.569 -11.732 5.794 1.00 0.00 H new ATOM 0 HG12 ILE B 600 -1.026 -10.438 6.745 1.00 0.00 H new ATOM 0 HG13 ILE B 600 0.297 -11.265 5.946 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.807 -13.363 6.461 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.787 -13.953 5.097 1.00 0.00 H new ATOM 0 HG23 ILE B 600 -0.155 -13.307 4.806 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.303 -8.895 5.427 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.004 -9.852 3.959 1.00 0.00 H new ATOM 0 HD13 ILE B 600 -1.347 -9.013 4.771 1.00 0.00 H new ATOM 792 N GLN B 601 -3.835 -13.128 3.799 1.00 0.00 N ATOM 793 CA GLN B 601 -4.592 -14.302 3.402 1.00 0.00 C ATOM 794 C GLN B 601 -4.996 -14.221 1.947 1.00 0.00 C ATOM 795 O GLN B 601 -4.917 -15.207 1.227 1.00 0.00 O ATOM 796 CB GLN B 601 -5.839 -14.466 4.267 1.00 0.00 C ATOM 797 CG GLN B 601 -5.546 -14.969 5.664 1.00 0.00 C ATOM 798 CD GLN B 601 -6.804 -15.115 6.492 1.00 0.00 C ATOM 799 OE1 GLN B 601 -7.769 -14.376 6.311 1.00 0.00 O ATOM 800 NE2 GLN B 601 -6.807 -16.073 7.404 1.00 0.00 N ATOM 0 H GLN B 601 -4.261 -12.589 4.553 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.946 -15.168 3.542 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -6.352 -13.507 4.336 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.523 -15.159 3.776 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -5.039 -15.932 5.603 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.863 -14.280 6.161 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -5.986 -16.666 7.524 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.631 -16.219 7.988 1.00 0.00 H new ATOM 809 N SER B 602 -5.407 -13.040 1.511 1.00 0.00 N ATOM 810 CA SER B 602 -5.890 -12.871 0.152 1.00 0.00 C ATOM 811 C SER B 602 -4.857 -13.330 -0.882 1.00 0.00 C ATOM 812 O SER B 602 -5.174 -14.108 -1.782 1.00 0.00 O ATOM 813 CB SER B 602 -6.290 -11.421 -0.096 1.00 0.00 C ATOM 814 OG SER B 602 -7.320 -11.028 0.791 1.00 0.00 O ATOM 0 H SER B 602 -5.415 -12.190 2.075 1.00 0.00 H new ATOM 0 HA SER B 602 -6.770 -13.504 0.036 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.424 -10.772 0.034 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.625 -11.302 -1.126 1.00 0.00 H new ATOM 0 HG SER B 602 -7.005 -11.110 1.715 1.00 0.00 H new ATOM 820 N ALA B 603 -3.620 -12.875 -0.740 1.00 0.00 N ATOM 821 CA ALA B 603 -2.579 -13.229 -1.694 1.00 0.00 C ATOM 822 C ALA B 603 -2.164 -14.687 -1.541 1.00 0.00 C ATOM 823 O ALA B 603 -1.752 -15.334 -2.497 1.00 0.00 O ATOM 824 CB ALA B 603 -1.379 -12.327 -1.518 1.00 0.00 C ATOM 0 H ALA B 603 -3.315 -12.266 0.019 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.983 -13.094 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.608 -12.603 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.675 -11.291 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -0.987 -12.436 -0.507 1.00 0.00 H new ATOM 830 N GLU B 604 -2.270 -15.195 -0.327 1.00 0.00 N ATOM 831 CA GLU B 604 -1.912 -16.571 -0.042 1.00 0.00 C ATOM 832 C GLU B 604 -2.924 -17.541 -0.644 1.00 0.00 C ATOM 833 O GLU B 604 -2.554 -18.595 -1.162 1.00 0.00 O ATOM 834 CB GLU B 604 -1.820 -16.755 1.464 1.00 0.00 C ATOM 835 CG GLU B 604 -0.684 -15.963 2.082 1.00 0.00 C ATOM 836 CD GLU B 604 0.663 -16.621 1.880 1.00 0.00 C ATOM 837 OE1 GLU B 604 0.948 -17.620 2.569 1.00 0.00 O ATOM 838 OE2 GLU B 604 1.450 -16.138 1.040 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.603 -14.671 0.482 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.946 -16.789 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.761 -16.450 1.921 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.685 -17.813 1.689 1.00 0.00 H new ATOM 0 HG2 GLU B 604 -0.665 -14.964 1.647 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.869 -15.843 3.149 1.00 0.00 H new ATOM 845 N ILE B 605 -4.196 -17.178 -0.570 1.00 0.00 N ATOM 846 CA ILE B 605 -5.267 -17.998 -1.120 1.00 0.00 C ATOM 847 C ILE B 605 -5.273 -17.948 -2.647 1.00 0.00 C ATOM 848 O ILE B 605 -5.341 -18.983 -3.308 1.00 0.00 O ATOM 849 CB ILE B 605 -6.638 -17.545 -0.576 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.625 -17.585 0.954 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.753 -18.423 -1.131 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.869 -17.016 1.598 1.00 0.00 C ATOM 0 H ILE B 605 -4.514 -16.314 -0.131 1.00 0.00 H new ATOM 0 HA ILE B 605 -5.085 -19.027 -0.808 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.827 -16.521 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.501 -18.618 1.279 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.757 -17.032 1.314 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.712 -18.087 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -7.765 -18.352 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -7.582 -19.458 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.780 -17.082 2.682 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.985 -15.972 1.306 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.740 -17.583 1.270 1.00 0.00 H new ATOM 901 N LEU B 609 -1.857 -13.772 -6.990 1.00 0.00 N ATOM 902 CA LEU B 609 -1.373 -12.646 -6.226 1.00 0.00 C ATOM 903 C LEU B 609 -0.350 -13.111 -5.207 1.00 0.00 C ATOM 904 O LEU B 609 -0.312 -14.288 -4.854 1.00 0.00 O ATOM 905 CB LEU B 609 -2.530 -11.954 -5.517 1.00 0.00 C ATOM 906 CG LEU B 609 -3.668 -11.470 -6.417 1.00 0.00 C ATOM 907 CD1 LEU B 609 -3.138 -10.830 -7.685 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.638 -12.593 -6.739 1.00 0.00 C ATOM 0 HA LEU B 609 -0.902 -11.938 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -2.943 -12.642 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -2.136 -11.098 -4.969 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.215 -10.707 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -3.973 -10.497 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -2.514 -9.974 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -2.545 -11.557 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -5.434 -12.214 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.108 -13.395 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -5.069 -12.978 -5.815 1.00 0.00 H new ATOM 920 N LYS B 610 0.491 -12.202 -4.743 1.00 0.00 N ATOM 921 CA LYS B 610 1.437 -12.537 -3.690 1.00 0.00 C ATOM 922 C LYS B 610 1.828 -11.310 -2.874 1.00 0.00 C ATOM 923 O LYS B 610 1.987 -10.213 -3.415 1.00 0.00 O ATOM 924 CB LYS B 610 2.680 -13.215 -4.274 1.00 0.00 C ATOM 925 CG LYS B 610 3.399 -12.407 -5.337 1.00 0.00 C ATOM 926 CD LYS B 610 4.605 -13.163 -5.865 1.00 0.00 C ATOM 927 CE LYS B 610 5.297 -12.400 -6.977 1.00 0.00 C ATOM 928 NZ LYS B 610 6.458 -13.150 -7.520 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.539 -11.238 -5.073 1.00 0.00 H new ATOM 0 HA LYS B 610 0.943 -13.237 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS B 610 3.377 -13.426 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS B 610 2.388 -14.174 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS B 610 2.715 -12.186 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS B 610 3.717 -11.451 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS B 610 5.309 -13.341 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS B 610 4.291 -14.139 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS B 610 4.586 -12.201 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS B 610 5.632 -11.433 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 6.905 -12.596 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 7.148 -13.318 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 6.135 -14.062 -7.902 1.00 0.00 H new ATOM 942 N ILE B 611 1.950 -11.515 -1.566 1.00 0.00 N ATOM 943 CA ILE B 611 2.389 -10.477 -0.646 1.00 0.00 C ATOM 944 C ILE B 611 3.909 -10.413 -0.642 1.00 0.00 C ATOM 945 O ILE B 611 4.584 -11.429 -0.825 1.00 0.00 O ATOM 946 CB ILE B 611 1.908 -10.759 0.794 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.379 -10.822 0.859 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.435 -9.717 1.769 1.00 0.00 C ATOM 949 CD1 ILE B 611 -0.316 -9.482 1.023 1.00 0.00 C ATOM 0 H ILE B 611 1.746 -12.407 -1.116 1.00 0.00 H new ATOM 0 HA ILE B 611 1.962 -9.532 -0.981 1.00 0.00 H new ATOM 0 HB ILE B 611 2.308 -11.730 1.087 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.012 -11.295 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.093 -11.466 1.690 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.078 -9.945 2.773 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.525 -9.729 1.760 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.080 -8.730 1.473 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.395 -9.634 1.058 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.015 -9.011 1.949 1.00 0.00 H new ATOM 0 HD13 ILE B 611 -0.068 -8.838 0.180 1.00 0.00 H new ATOM 961 N ASP B 612 4.438 -9.230 -0.435 1.00 0.00 N ATOM 962 CA ASP B 612 5.874 -9.043 -0.320 1.00 0.00 C ATOM 963 C ASP B 612 6.179 -8.237 0.927 1.00 0.00 C ATOM 964 O ASP B 612 5.370 -7.412 1.351 1.00 0.00 O ATOM 965 CB ASP B 612 6.436 -8.332 -1.550 1.00 0.00 C ATOM 966 CG ASP B 612 7.940 -8.166 -1.496 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.662 -9.151 -1.761 1.00 0.00 O ATOM 968 OD2 ASP B 612 8.407 -7.051 -1.186 1.00 0.00 O1- ATOM 0 H ASP B 612 3.894 -8.372 -0.341 1.00 0.00 H new ATOM 0 HA ASP B 612 6.347 -10.022 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.169 -8.896 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP B 612 5.970 -7.351 -1.641 1.00 0.00 H new ATOM 973 N SER B 613 7.334 -8.481 1.510 1.00 0.00 N ATOM 974 CA SER B 613 7.733 -7.796 2.724 1.00 0.00 C ATOM 975 C SER B 613 9.087 -7.124 2.536 1.00 0.00 C ATOM 976 O SER B 613 10.131 -7.774 2.560 1.00 0.00 O ATOM 977 CB SER B 613 7.761 -8.782 3.898 1.00 0.00 C ATOM 978 OG SER B 613 8.382 -10.002 3.526 1.00 0.00 O ATOM 0 H SER B 613 8.018 -9.153 1.161 1.00 0.00 H new ATOM 0 HA SER B 613 7.004 -7.018 2.949 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.297 -8.338 4.737 1.00 0.00 H new ATOM 0 HB3 SER B 613 6.744 -8.977 4.237 1.00 0.00 H new ATOM 0 HG SER B 613 9.217 -9.812 3.050 1.00 0.00 H new ATOM 984 N SER B 614 9.057 -5.817 2.338 1.00 0.00 N ATOM 985 CA SER B 614 10.267 -5.049 2.102 1.00 0.00 C ATOM 986 C SER B 614 10.359 -3.883 3.087 1.00 0.00 C ATOM 987 O SER B 614 9.490 -3.009 3.113 1.00 0.00 O ATOM 988 CB SER B 614 10.289 -4.554 0.656 1.00 0.00 C ATOM 989 OG SER B 614 10.385 -5.648 -0.246 1.00 0.00 O ATOM 0 H SER B 614 8.201 -5.262 2.336 1.00 0.00 H new ATOM 0 HA SER B 614 11.136 -5.688 2.262 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.385 -3.982 0.448 1.00 0.00 H new ATOM 0 HB3 SER B 614 11.133 -3.880 0.510 1.00 0.00 H new ATOM 0 HG SER B 614 9.529 -6.124 -0.275 1.00 0.00 H new ATOM 995 N THR B 615 11.396 -3.893 3.915 1.00 0.00 N ATOM 996 CA THR B 615 11.572 -2.873 4.940 1.00 0.00 C ATOM 997 C THR B 615 12.146 -1.589 4.357 1.00 0.00 C ATOM 998 O THR B 615 13.261 -1.581 3.846 1.00 0.00 O ATOM 999 CB THR B 615 12.518 -3.360 6.057 1.00 0.00 C ATOM 1000 OG1 THR B 615 12.059 -4.613 6.580 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.607 -2.332 7.182 1.00 0.00 C ATOM 0 H THR B 615 12.131 -4.600 3.896 1.00 0.00 H new ATOM 0 HA THR B 615 10.582 -2.677 5.353 1.00 0.00 H new ATOM 0 HB THR B 615 13.512 -3.490 5.628 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.667 -4.915 7.287 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.280 -2.698 7.957 1.00 0.00 H new ATOM 0 HG22 THR B 615 12.988 -1.391 6.786 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.616 -2.172 7.607 1.00 0.00 H new ATOM 1009 N VAL B 616 11.378 -0.510 4.416 1.00 0.00 N ATOM 1010 CA VAL B 616 11.901 0.797 4.073 1.00 0.00 C ATOM 1011 C VAL B 616 13.028 1.188 5.026 1.00 0.00 C ATOM 1012 O VAL B 616 12.823 1.323 6.232 1.00 0.00 O ATOM 1013 CB VAL B 616 10.792 1.873 4.082 1.00 0.00 C ATOM 1014 CG1 VAL B 616 9.847 1.687 5.248 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.392 3.265 4.122 1.00 0.00 C ATOM 0 H VAL B 616 10.397 -0.517 4.697 1.00 0.00 H new ATOM 0 HA VAL B 616 12.299 0.738 3.060 1.00 0.00 H new ATOM 0 HB VAL B 616 10.223 1.758 3.160 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.080 2.461 5.222 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.375 0.707 5.181 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.404 1.759 6.182 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.592 4.006 4.128 1.00 0.00 H new ATOM 0 HG22 VAL B 616 11.995 3.375 5.023 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.020 3.416 3.244 1.00 0.00 H new ATOM 1025 N GLU B 617 14.222 1.339 4.475 1.00 0.00 N ATOM 1026 CA GLU B 617 15.384 1.726 5.253 1.00 0.00 C ATOM 1027 C GLU B 617 15.580 3.232 5.229 1.00 0.00 C ATOM 1028 O GLU B 617 16.265 3.789 6.086 1.00 0.00 O ATOM 1029 CB GLU B 617 16.644 1.047 4.729 1.00 0.00 C ATOM 1030 CG GLU B 617 16.637 -0.459 4.871 1.00 0.00 C ATOM 1031 CD GLU B 617 18.037 -1.039 4.872 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.640 -1.144 5.963 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.546 -1.382 3.788 1.00 0.00 O1- ATOM 0 H GLU B 617 14.411 1.197 3.483 1.00 0.00 H new ATOM 0 HA GLU B 617 15.207 1.406 6.280 1.00 0.00 H new ATOM 0 HB2 GLU B 617 16.771 1.302 3.677 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.508 1.448 5.260 1.00 0.00 H new ATOM 0 HG2 GLU B 617 16.131 -0.733 5.797 1.00 0.00 H new ATOM 0 HG3 GLU B 617 16.064 -0.897 4.053 1.00 0.00 H new ATOM 1040 N ARG B 618 14.994 3.893 4.240 1.00 0.00 N ATOM 1041 CA ARG B 618 15.185 5.323 4.080 1.00 0.00 C ATOM 1042 C ARG B 618 14.082 5.909 3.204 1.00 0.00 C ATOM 1043 O ARG B 618 13.473 5.198 2.405 1.00 0.00 O ATOM 1044 CB ARG B 618 16.569 5.581 3.474 1.00 0.00 C ATOM 1045 CG ARG B 618 16.955 7.046 3.387 1.00 0.00 C ATOM 1046 CD ARG B 618 18.386 7.214 2.906 1.00 0.00 C ATOM 1047 NE ARG B 618 18.759 8.621 2.786 1.00 0.00 N ATOM 1048 CZ ARG B 618 19.981 9.095 3.019 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.949 8.282 3.427 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 20.233 10.388 2.853 1.00 0.00 N ATOM 0 H ARG B 618 14.387 3.463 3.542 1.00 0.00 H new ATOM 0 HA ARG B 618 15.130 5.813 5.052 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.316 5.056 4.070 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.599 5.150 2.473 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.278 7.563 2.707 1.00 0.00 H new ATOM 0 HG3 ARG B 618 16.841 7.513 4.365 1.00 0.00 H new ATOM 0 HD2 ARG B 618 19.063 6.717 3.601 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.504 6.723 1.940 1.00 0.00 H new ATOM 0 HE ARG B 618 18.036 9.284 2.505 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.758 7.289 3.563 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.884 8.650 3.604 1.00 0.00 H new ATOM 0 HH21 ARG B 618 19.491 11.017 2.547 1.00 0.00 H new ATOM 0 HH22 ARG B 618 21.169 10.752 3.031 1.00 0.00 H new ATOM 1064 N ILE B 619 13.830 7.202 3.357 1.00 0.00 N ATOM 1065 CA ILE B 619 12.757 7.873 2.643 1.00 0.00 C ATOM 1066 C ILE B 619 13.254 9.202 2.109 1.00 0.00 C ATOM 1067 O ILE B 619 13.559 10.121 2.872 1.00 0.00 O ATOM 1068 CB ILE B 619 11.516 8.084 3.542 1.00 0.00 C ATOM 1069 CG1 ILE B 619 10.832 6.742 3.796 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.540 9.069 2.903 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.696 6.820 4.789 1.00 0.00 C ATOM 0 H ILE B 619 14.363 7.812 3.978 1.00 0.00 H new ATOM 0 HA ILE B 619 12.452 7.237 1.812 1.00 0.00 H new ATOM 0 HB ILE B 619 11.841 8.506 4.493 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.452 6.353 2.851 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.572 6.029 4.159 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.676 9.200 3.555 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.035 10.030 2.759 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.211 8.682 1.939 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.258 5.830 4.919 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.074 7.179 5.747 1.00 0.00 H new ATOM 0 HD13 ILE B 619 8.935 7.507 4.419 1.00 0.00 H new ATOM 1083 N GLU B 620 13.334 9.290 0.800 1.00 0.00 N ATOM 1084 CA GLU B 620 13.954 10.421 0.146 1.00 0.00 C ATOM 1085 C GLU B 620 12.914 11.269 -0.563 1.00 0.00 C ATOM 1086 O GLU B 620 12.016 10.743 -1.216 1.00 0.00 O ATOM 1087 CB GLU B 620 14.987 9.914 -0.848 1.00 0.00 C ATOM 1088 CG GLU B 620 16.103 9.142 -0.191 1.00 0.00 C ATOM 1089 CD GLU B 620 17.177 10.050 0.359 1.00 0.00 C ATOM 1090 OE1 GLU B 620 18.049 10.481 -0.421 1.00 0.00 O1- ATOM 1091 OE2 GLU B 620 17.151 10.346 1.569 1.00 0.00 O ATOM 0 H GLU B 620 12.973 8.582 0.161 1.00 0.00 H new ATOM 0 HA GLU B 620 14.441 11.045 0.895 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.495 9.277 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.408 10.760 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU B 620 15.695 8.533 0.616 1.00 0.00 H new ATOM 0 HG3 GLU B 620 16.544 8.457 -0.915 1.00 0.00 H new ATOM 1098 N ASP B 621 13.026 12.577 -0.428 1.00 0.00 N ATOM 1099 CA ASP B 621 12.101 13.475 -1.098 1.00 0.00 C ATOM 1100 C ASP B 621 12.650 13.847 -2.470 1.00 0.00 C ATOM 1101 O ASP B 621 13.815 14.231 -2.611 1.00 0.00 O ATOM 1102 CB ASP B 621 11.825 14.730 -0.254 1.00 0.00 C ATOM 1103 CG ASP B 621 12.950 15.747 -0.283 1.00 0.00 C ATOM 1104 OD1 ASP B 621 13.974 15.531 0.402 1.00 0.00 O ATOM 1105 OD2 ASP B 621 12.806 16.778 -0.977 1.00 0.00 O1- ATOM 0 H ASP B 621 13.741 13.039 0.134 1.00 0.00 H new ATOM 0 HA ASP B 621 11.149 12.960 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP B 621 10.911 15.203 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.646 14.430 0.778 1.00 0.00 H new ATOM 1110 N SER B 622 11.820 13.689 -3.480 1.00 0.00 N ATOM 1111 CA SER B 622 12.200 13.985 -4.838 1.00 0.00 C ATOM 1112 C SER B 622 11.712 15.371 -5.238 1.00 0.00 C ATOM 1113 O SER B 622 10.737 15.877 -4.679 1.00 0.00 O ATOM 1114 CB SER B 622 11.613 12.916 -5.754 1.00 0.00 C ATOM 1115 OG SER B 622 12.471 11.791 -5.847 1.00 0.00 O ATOM 0 H SER B 622 10.863 13.351 -3.378 1.00 0.00 H new ATOM 0 HA SER B 622 13.286 13.981 -4.927 1.00 0.00 H new ATOM 0 HB2 SER B 622 10.640 12.604 -5.375 1.00 0.00 H new ATOM 0 HB3 SER B 622 11.449 13.335 -6.747 1.00 0.00 H new ATOM 0 HG SER B 622 12.533 11.503 -6.782 1.00 0.00 H new ATOM 1121 N HIS B 623 12.397 15.990 -6.191 1.00 0.00 N ATOM 1122 CA HIS B 623 12.023 17.319 -6.655 1.00 0.00 C ATOM 1123 C HIS B 623 10.940 17.212 -7.713 1.00 0.00 C ATOM 1124 O HIS B 623 11.144 17.515 -8.889 1.00 0.00 O ATOM 1125 CB HIS B 623 13.229 18.058 -7.212 1.00 0.00 C ATOM 1126 CG HIS B 623 12.969 19.510 -7.485 1.00 0.00 C ATOM 1127 ND1 HIS B 623 12.736 20.011 -8.746 1.00 0.00 N ATOM 1128 CD2 HIS B 623 12.897 20.567 -6.644 1.00 0.00 C ATOM 1129 CE1 HIS B 623 12.534 21.311 -8.670 1.00 0.00 C ATOM 1130 NE2 HIS B 623 12.627 21.676 -7.406 1.00 0.00 N ATOM 0 H HIS B 623 13.213 15.594 -6.657 1.00 0.00 H new ATOM 0 HA HIS B 623 11.639 17.885 -5.806 1.00 0.00 H new ATOM 0 HB2 HIS B 623 14.055 17.972 -6.507 1.00 0.00 H new ATOM 0 HB3 HIS B 623 13.547 17.574 -8.136 1.00 0.00 H new ATOM 0 HD2 HIS B 623 13.028 20.543 -5.572 1.00 0.00 H new ATOM 0 HE1 HIS B 623 12.327 21.967 -9.503 1.00 0.00 H new ATOM 0 HE2 HIS B 623 12.516 22.626 -7.053 1.00 0.00 H new ATOM 1139 N SER B 624 9.801 16.746 -7.271 1.00 0.00 N ATOM 1140 CA SER B 624 8.628 16.593 -8.110 1.00 0.00 C ATOM 1141 C SER B 624 7.379 16.611 -7.238 1.00 0.00 C ATOM 1142 O SER B 624 7.419 16.186 -6.079 1.00 0.00 O ATOM 1143 CB SER B 624 8.718 15.295 -8.917 1.00 0.00 C ATOM 1144 OG SER B 624 9.705 15.394 -9.932 1.00 0.00 O ATOM 0 H SER B 624 9.654 16.456 -6.304 1.00 0.00 H new ATOM 0 HA SER B 624 8.574 17.421 -8.817 1.00 0.00 H new ATOM 0 HB2 SER B 624 8.957 14.465 -8.252 1.00 0.00 H new ATOM 0 HB3 SER B 624 7.750 15.074 -9.367 1.00 0.00 H new ATOM 0 HG SER B 624 10.294 16.154 -9.743 1.00 0.00 H new ATOM 1150 N PRO B 625 6.270 17.144 -7.779 1.00 0.00 N ATOM 1151 CA PRO B 625 5.005 17.292 -7.050 1.00 0.00 C ATOM 1152 C PRO B 625 4.563 16.030 -6.333 1.00 0.00 C ATOM 1153 O PRO B 625 4.158 15.047 -6.958 1.00 0.00 O ATOM 1154 CB PRO B 625 4.004 17.646 -8.142 1.00 0.00 C ATOM 1155 CG PRO B 625 4.809 18.294 -9.211 1.00 0.00 C ATOM 1156 CD PRO B 625 6.177 17.670 -9.154 1.00 0.00 C ATOM 0 HA PRO B 625 5.097 18.038 -6.260 1.00 0.00 H new ATOM 0 HB2 PRO B 625 3.497 16.756 -8.515 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.233 18.319 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO B 625 4.352 18.139 -10.188 1.00 0.00 H new ATOM 0 HG3 PRO B 625 4.867 19.371 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.285 16.877 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO B 625 6.959 18.402 -9.355 1.00 0.00 H new ATOM 1164 N GLY B 626 4.621 16.091 -5.011 1.00 0.00 N ATOM 1165 CA GLY B 626 4.179 14.998 -4.174 1.00 0.00 C ATOM 1166 C GLY B 626 4.942 13.714 -4.414 1.00 0.00 C ATOM 1167 O GLY B 626 4.373 12.635 -4.310 1.00 0.00 O ATOM 0 H GLY B 626 4.975 16.897 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.285 15.285 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.118 14.820 -4.350 1.00 0.00 H new ATOM 1171 N VAL B 627 6.223 13.817 -4.739 1.00 0.00 N ATOM 1172 CA VAL B 627 7.014 12.627 -5.023 1.00 0.00 C ATOM 1173 C VAL B 627 8.033 12.351 -3.931 1.00 0.00 C ATOM 1174 O VAL B 627 8.826 13.220 -3.559 1.00 0.00 O ATOM 1175 CB VAL B 627 7.739 12.727 -6.379 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.442 11.419 -6.717 1.00 0.00 C ATOM 1177 CG2 VAL B 627 6.748 13.092 -7.462 1.00 0.00 C ATOM 0 H VAL B 627 6.731 14.698 -4.812 1.00 0.00 H new ATOM 0 HA VAL B 627 6.306 11.799 -5.063 1.00 0.00 H new ATOM 0 HB VAL B 627 8.498 13.507 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL B 627 8.946 11.515 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.175 11.190 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.708 10.615 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.265 13.162 -8.419 1.00 0.00 H new ATOM 0 HG22 VAL B 627 5.975 12.325 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.289 14.052 -7.227 1.00 0.00 H new ATOM 1187 N ALA B 628 7.993 11.134 -3.419 1.00 0.00 N ATOM 1188 CA ALA B 628 8.977 10.666 -2.467 1.00 0.00 C ATOM 1189 C ALA B 628 9.387 9.254 -2.825 1.00 0.00 C ATOM 1190 O ALA B 628 8.545 8.393 -3.081 1.00 0.00 O ATOM 1191 CB ALA B 628 8.437 10.715 -1.045 1.00 0.00 C ATOM 0 H ALA B 628 7.278 10.445 -3.653 1.00 0.00 H new ATOM 0 HA ALA B 628 9.846 11.323 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.200 10.357 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.171 11.741 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.553 10.082 -0.969 1.00 0.00 H new ATOM 1197 N VAL B 629 10.676 9.028 -2.866 1.00 0.00 N ATOM 1198 CA VAL B 629 11.195 7.716 -3.166 1.00 0.00 C ATOM 1199 C VAL B 629 11.449 6.959 -1.880 1.00 0.00 C ATOM 1200 O VAL B 629 12.236 7.382 -1.027 1.00 0.00 O ATOM 1201 CB VAL B 629 12.473 7.781 -4.040 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.193 9.101 -3.826 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.404 6.601 -3.763 1.00 0.00 C ATOM 0 H VAL B 629 11.388 9.738 -2.695 1.00 0.00 H new ATOM 0 HA VAL B 629 10.446 7.182 -3.750 1.00 0.00 H new ATOM 0 HB VAL B 629 12.168 7.716 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.089 9.132 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.533 9.924 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.475 9.196 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.289 6.680 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.703 6.612 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.884 5.668 -3.982 1.00 0.00 H new ATOM 1213 N ILE B 630 10.741 5.861 -1.727 1.00 0.00 N ATOM 1214 CA ILE B 630 10.911 5.021 -0.572 1.00 0.00 C ATOM 1215 C ILE B 630 11.986 3.981 -0.866 1.00 0.00 C ATOM 1216 O ILE B 630 11.876 3.215 -1.823 1.00 0.00 O ATOM 1217 CB ILE B 630 9.593 4.324 -0.189 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.412 5.293 -0.289 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.693 3.772 1.219 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.512 6.474 0.646 1.00 0.00 C ATOM 0 H ILE B 630 10.041 5.532 -2.393 1.00 0.00 H new ATOM 0 HA ILE B 630 11.215 5.642 0.271 1.00 0.00 H new ATOM 0 HB ILE B 630 9.422 3.505 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.339 5.658 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.490 4.751 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.757 3.280 1.484 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.509 3.051 1.270 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.885 4.587 1.917 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.640 7.115 0.517 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.553 6.120 1.676 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.415 7.041 0.421 1.00 0.00 H new ATOM 1232 N GLN B 631 13.041 3.992 -0.069 1.00 0.00 N ATOM 1233 CA GLN B 631 14.162 3.092 -0.270 1.00 0.00 C ATOM 1234 C GLN B 631 13.988 1.846 0.589 1.00 0.00 C ATOM 1235 O GLN B 631 14.046 1.919 1.816 1.00 0.00 O ATOM 1236 CB GLN B 631 15.467 3.810 0.076 1.00 0.00 C ATOM 1237 CG GLN B 631 16.713 2.984 -0.179 1.00 0.00 C ATOM 1238 CD GLN B 631 17.983 3.780 0.050 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.498 4.428 -0.862 1.00 0.00 O ATOM 1240 NE2 GLN B 631 18.502 3.734 1.266 1.00 0.00 N ATOM 0 H GLN B 631 13.144 4.619 0.729 1.00 0.00 H new ATOM 0 HA GLN B 631 14.199 2.786 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.528 4.730 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.443 4.098 1.127 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.709 2.112 0.475 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.698 2.613 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.046 3.186 1.995 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.359 4.247 1.475 1.00 0.00 H new ATOM 1249 N PHE B 632 13.772 0.711 -0.059 1.00 0.00 N ATOM 1250 CA PHE B 632 13.475 -0.533 0.641 1.00 0.00 C ATOM 1251 C PHE B 632 14.647 -1.494 0.611 1.00 0.00 C ATOM 1252 O PHE B 632 15.424 -1.506 -0.337 1.00 0.00 O ATOM 1253 CB PHE B 632 12.281 -1.236 0.003 1.00 0.00 C ATOM 1254 CG PHE B 632 11.003 -0.458 0.025 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.142 -0.558 1.099 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.648 0.346 -1.045 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.951 0.134 1.111 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.454 1.036 -1.040 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.603 0.930 0.039 1.00 0.00 C ATOM 0 H PHE B 632 13.797 0.624 -1.075 1.00 0.00 H new ATOM 0 HA PHE B 632 13.257 -0.261 1.674 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.528 -1.471 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE B 632 12.120 -2.184 0.516 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.405 -1.185 1.938 1.00 0.00 H new ATOM 0 HD2 PHE B 632 11.313 0.434 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.289 0.053 1.960 1.00 0.00 H new ATOM 0 HE2 PHE B 632 9.186 1.659 -1.881 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.667 1.468 0.045 1.00 0.00 H new ATOM 1269 N ALA B 633 14.755 -2.291 1.658 1.00 0.00 N ATOM 1270 CA ALA B 633 15.657 -3.422 1.682 1.00 0.00 C ATOM 1271 C ALA B 633 14.864 -4.703 1.489 1.00 0.00 C ATOM 1272 O ALA B 633 14.075 -5.092 2.350 1.00 0.00 O ATOM 1273 CB ALA B 633 16.413 -3.472 2.989 1.00 0.00 C ATOM 0 H ALA B 633 14.217 -2.170 2.516 1.00 0.00 H new ATOM 0 HA ALA B 633 16.380 -3.316 0.873 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.086 -4.329 2.987 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.992 -2.556 3.110 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.707 -3.566 3.814 1.00 0.00 H new ATOM 1279 N VAL B 634 15.058 -5.338 0.357 1.00 0.00 N ATOM 1280 CA VAL B 634 14.309 -6.530 0.010 1.00 0.00 C ATOM 1281 C VAL B 634 15.021 -7.796 0.474 1.00 0.00 C ATOM 1282 O VAL B 634 16.203 -8.000 0.185 1.00 0.00 O ATOM 1283 CB VAL B 634 14.072 -6.585 -1.511 1.00 0.00 C ATOM 1284 CG1 VAL B 634 13.474 -7.918 -1.934 1.00 0.00 C ATOM 1285 CG2 VAL B 634 13.167 -5.435 -1.928 1.00 0.00 C ATOM 0 H VAL B 634 15.735 -5.047 -0.348 1.00 0.00 H new ATOM 0 HA VAL B 634 13.349 -6.479 0.524 1.00 0.00 H new ATOM 0 HB VAL B 634 15.034 -6.487 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL B 634 13.320 -7.922 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL B 634 14.154 -8.725 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL B 634 12.518 -8.064 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL B 634 13.000 -5.475 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL B 634 12.212 -5.517 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.640 -4.488 -1.669 1.00 0.00 H new ATOM 1295 N GLY B 635 14.292 -8.625 1.216 1.00 0.00 N ATOM 1296 CA GLY B 635 14.798 -9.922 1.622 1.00 0.00 C ATOM 1297 C GLY B 635 15.864 -9.844 2.701 1.00 0.00 C ATOM 1298 O GLY B 635 16.042 -8.805 3.340 1.00 0.00 O ATOM 0 H GLY B 635 13.349 -8.417 1.546 1.00 0.00 H new ATOM 0 HA2 GLY B 635 13.969 -10.530 1.984 1.00 0.00 H new ATOM 0 HA3 GLY B 635 15.210 -10.432 0.751 1.00 0.00 H new ATOM 1302 N GLU B 636 16.592 -10.941 2.875 1.00 0.00 N ATOM 1303 CA GLU B 636 17.557 -11.072 3.958 1.00 0.00 C ATOM 1304 C GLU B 636 18.825 -10.260 3.708 1.00 0.00 C ATOM 1305 O GLU B 636 19.393 -9.700 4.642 1.00 0.00 O ATOM 1306 CB GLU B 636 17.916 -12.540 4.161 1.00 0.00 C ATOM 1307 CG GLU B 636 16.735 -13.409 4.559 1.00 0.00 C ATOM 1308 CD GLU B 636 16.191 -13.068 5.930 1.00 0.00 C ATOM 1309 OE1 GLU B 636 16.672 -13.646 6.930 1.00 0.00 O1- ATOM 1310 OE2 GLU B 636 15.279 -12.223 6.021 1.00 0.00 O ATOM 0 H GLU B 636 16.530 -11.761 2.272 1.00 0.00 H new ATOM 0 HA GLU B 636 17.088 -10.676 4.858 1.00 0.00 H new ATOM 0 HB2 GLU B 636 18.348 -12.930 3.239 1.00 0.00 H new ATOM 0 HB3 GLU B 636 18.685 -12.614 4.930 1.00 0.00 H new ATOM 0 HG2 GLU B 636 15.942 -13.296 3.820 1.00 0.00 H new ATOM 0 HG3 GLU B 636 17.039 -14.456 4.544 1.00 0.00 H new ATOM 1317 N HIS B 637 19.271 -10.183 2.455 1.00 0.00 N ATOM 1318 CA HIS B 637 20.517 -9.473 2.156 1.00 0.00 C ATOM 1319 C HIS B 637 20.267 -8.004 1.836 1.00 0.00 C ATOM 1320 O HIS B 637 21.131 -7.318 1.287 1.00 0.00 O ATOM 1321 CB HIS B 637 21.331 -10.134 1.031 1.00 0.00 C ATOM 1322 CG HIS B 637 20.601 -10.397 -0.253 1.00 0.00 C ATOM 1323 ND1 HIS B 637 19.992 -11.517 -0.714 1.00 0.00 N flip ATOM 1324 CD2 HIS B 637 20.487 -9.463 -1.259 1.00 0.00 C flip ATOM 1325 CE1 HIS B 637 19.529 -11.238 -1.977 1.00 0.00 C flip ATOM 1326 NE2 HIS B 637 19.840 -9.993 -2.279 1.00 0.00 N flip ATOM 0 H HIS B 637 18.803 -10.592 1.647 1.00 0.00 H new ATOM 0 HA HIS B 637 21.115 -9.534 3.065 1.00 0.00 H new ATOM 0 HB2 HIS B 637 22.190 -9.499 0.812 1.00 0.00 H new ATOM 0 HB3 HIS B 637 21.721 -11.081 1.403 1.00 0.00 H new ATOM 0 HD1 HIS B 637 19.896 -12.402 -0.216 1.00 0.00 H new ATOM 0 HD2 HIS B 637 20.868 -8.453 -1.219 1.00 0.00 H new ATOM 0 HE1 HIS B 637 18.997 -11.926 -2.618 1.00 0.00 H new ATOM 1335 N ARG B 638 19.064 -7.554 2.171 1.00 0.00 N ATOM 1336 CA ARG B 638 18.685 -6.144 2.099 1.00 0.00 C ATOM 1337 C ARG B 638 18.951 -5.543 0.727 1.00 0.00 C ATOM 1338 O ARG B 638 19.519 -4.459 0.619 1.00 0.00 O ATOM 1339 CB ARG B 638 19.413 -5.322 3.170 1.00 0.00 C ATOM 1340 CG ARG B 638 19.078 -5.725 4.595 1.00 0.00 C ATOM 1341 CD ARG B 638 19.617 -4.713 5.591 1.00 0.00 C ATOM 1342 NE ARG B 638 19.482 -5.173 6.972 1.00 0.00 N ATOM 1343 CZ ARG B 638 19.255 -4.372 8.010 1.00 0.00 C ATOM 1344 NH1 ARG B 638 19.025 -3.078 7.826 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 19.233 -4.870 9.240 1.00 0.00 N ATOM 0 H ARG B 638 18.315 -8.162 2.504 1.00 0.00 H new ATOM 0 HA ARG B 638 17.611 -6.104 2.281 1.00 0.00 H new ATOM 0 HB2 ARG B 638 20.488 -5.420 3.019 1.00 0.00 H new ATOM 0 HB3 ARG B 638 19.167 -4.269 3.034 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.997 -5.810 4.707 1.00 0.00 H new ATOM 0 HG3 ARG B 638 19.499 -6.708 4.807 1.00 0.00 H new ATOM 0 HD2 ARG B 638 20.668 -4.518 5.376 1.00 0.00 H new ATOM 0 HD3 ARG B 638 19.086 -3.769 5.471 1.00 0.00 H new ATOM 0 HE ARG B 638 19.567 -6.173 7.152 1.00 0.00 H new ATOM 0 HH11 ARG B 638 19.021 -2.690 6.883 1.00 0.00 H new ATOM 0 HH12 ARG B 638 18.852 -2.472 8.628 1.00 0.00 H new ATOM 0 HH21 ARG B 638 19.390 -5.867 9.390 1.00 0.00 H new ATOM 0 HH22 ARG B 638 19.059 -4.256 10.036 1.00 0.00 H new ATOM 1359 N ALA B 639 18.547 -6.250 -0.315 1.00 0.00 N ATOM 1360 CA ALA B 639 18.654 -5.724 -1.668 1.00 0.00 C ATOM 1361 C ALA B 639 17.807 -4.471 -1.791 1.00 0.00 C ATOM 1362 O ALA B 639 16.585 -4.522 -1.672 1.00 0.00 O ATOM 1363 CB ALA B 639 18.223 -6.762 -2.684 1.00 0.00 C ATOM 0 H ALA B 639 18.144 -7.185 -0.252 1.00 0.00 H new ATOM 0 HA ALA B 639 19.695 -5.473 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.311 -6.347 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.860 -7.642 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA B 639 17.187 -7.045 -2.498 1.00 0.00 H new ATOM 1369 N GLN B 640 18.455 -3.348 -2.020 1.00 0.00 N ATOM 1370 CA GLN B 640 17.781 -2.070 -1.908 1.00 0.00 C ATOM 1371 C GLN B 640 17.130 -1.648 -3.209 1.00 0.00 C ATOM 1372 O GLN B 640 17.718 -1.749 -4.287 1.00 0.00 O ATOM 1373 CB GLN B 640 18.734 -0.988 -1.406 1.00 0.00 C ATOM 1374 CG GLN B 640 19.264 -1.276 -0.015 1.00 0.00 C ATOM 1375 CD GLN B 640 19.830 -0.050 0.665 1.00 0.00 C ATOM 1376 OE1 GLN B 640 21.001 0.289 0.497 1.00 0.00 O ATOM 1377 NE2 GLN B 640 19.012 0.599 1.471 1.00 0.00 N ATOM 0 H GLN B 640 19.439 -3.293 -2.283 1.00 0.00 H new ATOM 0 HA GLN B 640 16.985 -2.197 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.571 -0.897 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.218 -0.028 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN B 640 18.460 -1.686 0.597 1.00 0.00 H new ATOM 0 HG3 GLN B 640 20.038 -2.040 -0.078 1.00 0.00 H new ATOM 0 HE21 GLN B 640 18.048 0.284 1.581 1.00 0.00 H new ATOM 0 HE22 GLN B 640 19.343 1.416 1.984 1.00 0.00 H new ATOM 1386 N VAL B 641 15.894 -1.196 -3.085 1.00 0.00 N ATOM 1387 CA VAL B 641 15.136 -0.672 -4.206 1.00 0.00 C ATOM 1388 C VAL B 641 14.628 0.721 -3.874 1.00 0.00 C ATOM 1389 O VAL B 641 13.900 0.913 -2.898 1.00 0.00 O ATOM 1390 CB VAL B 641 13.933 -1.575 -4.572 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.120 -0.962 -5.705 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.398 -2.972 -4.954 1.00 0.00 C ATOM 0 H VAL B 641 15.387 -1.182 -2.200 1.00 0.00 H new ATOM 0 HA VAL B 641 15.806 -0.641 -5.065 1.00 0.00 H new ATOM 0 HB VAL B 641 13.295 -1.653 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.280 -1.614 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.745 0.014 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.752 -0.846 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.534 -3.587 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.064 -2.911 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.930 -3.421 -4.115 1.00 0.00 H new ATOM 1402 N SER B 642 15.046 1.692 -4.663 1.00 0.00 N ATOM 1403 CA SER B 642 14.571 3.053 -4.510 1.00 0.00 C ATOM 1404 C SER B 642 13.503 3.345 -5.556 1.00 0.00 C ATOM 1405 O SER B 642 13.792 3.422 -6.752 1.00 0.00 O ATOM 1406 CB SER B 642 15.736 4.030 -4.638 1.00 0.00 C ATOM 1407 OG SER B 642 16.746 3.734 -3.689 1.00 0.00 O ATOM 0 H SER B 642 15.717 1.562 -5.420 1.00 0.00 H new ATOM 0 HA SER B 642 14.130 3.174 -3.520 1.00 0.00 H new ATOM 0 HB2 SER B 642 16.150 3.979 -5.645 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.380 5.050 -4.491 1.00 0.00 H new ATOM 0 HG SER B 642 17.485 4.370 -3.788 1.00 0.00 H new ATOM 1413 N VAL B 643 12.265 3.472 -5.105 1.00 0.00 N ATOM 1414 CA VAL B 643 11.146 3.674 -5.997 1.00 0.00 C ATOM 1415 C VAL B 643 10.465 5.020 -5.726 1.00 0.00 C ATOM 1416 O VAL B 643 10.059 5.309 -4.600 1.00 0.00 O ATOM 1417 CB VAL B 643 10.142 2.508 -5.853 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.723 2.314 -4.404 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.928 2.725 -6.729 1.00 0.00 C ATOM 0 H VAL B 643 12.014 3.438 -4.117 1.00 0.00 H new ATOM 0 HA VAL B 643 11.515 3.693 -7.022 1.00 0.00 H new ATOM 0 HB VAL B 643 10.647 1.600 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.017 1.487 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.601 2.091 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.250 3.225 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.238 1.890 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.431 3.651 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.239 2.791 -7.772 1.00 0.00 H new ATOM 1429 N GLU B 644 10.370 5.851 -6.760 1.00 0.00 N ATOM 1430 CA GLU B 644 9.751 7.165 -6.628 1.00 0.00 C ATOM 1431 C GLU B 644 8.238 7.060 -6.733 1.00 0.00 C ATOM 1432 O GLU B 644 7.688 6.831 -7.812 1.00 0.00 O ATOM 1433 CB GLU B 644 10.291 8.130 -7.682 1.00 0.00 C ATOM 1434 CG GLU B 644 11.748 8.497 -7.471 1.00 0.00 C ATOM 1435 CD GLU B 644 12.267 9.459 -8.512 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.618 9.010 -9.619 1.00 0.00 O ATOM 1437 OE2 GLU B 644 12.337 10.670 -8.225 1.00 0.00 O1- ATOM 0 H GLU B 644 10.713 5.638 -7.697 1.00 0.00 H new ATOM 0 HA GLU B 644 10.003 7.557 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.176 7.681 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.690 9.039 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU B 644 11.866 8.940 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.352 7.590 -7.488 1.00 0.00 H new ATOM 1444 N VAL B 645 7.578 7.227 -5.603 1.00 0.00 N ATOM 1445 CA VAL B 645 6.153 7.083 -5.505 1.00 0.00 C ATOM 1446 C VAL B 645 5.518 8.425 -5.146 1.00 0.00 C ATOM 1447 O VAL B 645 6.128 9.231 -4.440 1.00 0.00 O ATOM 1448 CB VAL B 645 5.841 6.042 -4.412 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.442 6.218 -3.888 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.048 4.630 -4.939 1.00 0.00 C ATOM 0 H VAL B 645 8.029 7.469 -4.721 1.00 0.00 H new ATOM 0 HA VAL B 645 5.745 6.752 -6.460 1.00 0.00 H new ATOM 0 HB VAL B 645 6.533 6.201 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.245 5.472 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.336 7.216 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.730 6.094 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL B 645 5.822 3.911 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.386 4.458 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.084 4.508 -5.256 1.00 0.00 H new ATOM 1460 N LEU B 646 4.314 8.686 -5.647 1.00 0.00 N ATOM 1461 CA LEU B 646 3.583 9.858 -5.202 1.00 0.00 C ATOM 1462 C LEU B 646 3.105 9.632 -3.778 1.00 0.00 C ATOM 1463 O LEU B 646 2.555 8.581 -3.456 1.00 0.00 O ATOM 1464 CB LEU B 646 2.381 10.195 -6.089 1.00 0.00 C ATOM 1465 CG LEU B 646 2.705 10.638 -7.514 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.587 11.504 -8.073 1.00 0.00 C ATOM 1467 CD2 LEU B 646 4.016 11.388 -7.557 1.00 0.00 C ATOM 0 H LEU B 646 3.837 8.115 -6.344 1.00 0.00 H new ATOM 0 HA LEU B 646 4.268 10.704 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.735 9.319 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU B 646 1.808 10.986 -5.605 1.00 0.00 H new ATOM 0 HG LEU B 646 2.797 9.745 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU B 646 1.837 11.809 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.657 10.936 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.465 12.389 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.227 11.694 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU B 646 3.951 12.271 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU B 646 4.817 10.741 -7.199 1.00 0.00 H new ATOM 1479 N VAL B 647 3.303 10.630 -2.941 1.00 0.00 N ATOM 1480 CA VAL B 647 3.029 10.518 -1.513 1.00 0.00 C ATOM 1481 C VAL B 647 1.557 10.223 -1.224 1.00 0.00 C ATOM 1482 O VAL B 647 1.206 9.807 -0.123 1.00 0.00 O ATOM 1483 CB VAL B 647 3.445 11.798 -0.767 1.00 0.00 C ATOM 1484 CG1 VAL B 647 4.947 12.007 -0.859 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.697 13.006 -1.312 1.00 0.00 C ATOM 0 H VAL B 647 3.658 11.543 -3.226 1.00 0.00 H new ATOM 0 HA VAL B 647 3.622 9.677 -1.154 1.00 0.00 H new ATOM 0 HB VAL B 647 3.181 11.682 0.284 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.221 12.917 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.461 11.156 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.238 12.098 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.006 13.900 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL B 647 2.924 13.127 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.625 12.858 -1.185 1.00 0.00 H new ATOM 1495 N GLU B 648 0.705 10.428 -2.217 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.721 10.181 -2.059 1.00 0.00 C ATOM 1497 C GLU B 648 -1.062 8.719 -2.310 1.00 0.00 C ATOM 1498 O GLU B 648 -2.233 8.335 -2.280 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.533 11.095 -2.984 1.00 0.00 C ATOM 1500 CG GLU B 648 -1.093 11.080 -4.439 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.639 12.266 -5.211 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -2.752 12.163 -5.771 1.00 0.00 O ATOM 1503 OE2 GLU B 648 -0.959 13.314 -5.252 1.00 0.00 O1- ATOM 0 H GLU B 648 0.976 10.765 -3.141 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.987 10.410 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.582 10.802 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.469 12.117 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU B 648 -0.004 11.086 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.429 10.156 -4.910 1.00 0.00 H new ATOM 1510 N TYR B 649 -0.045 7.901 -2.556 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.248 6.481 -2.749 1.00 0.00 C ATOM 1512 C TYR B 649 -0.318 5.754 -1.415 1.00 0.00 C ATOM 1513 O TYR B 649 0.617 5.818 -0.608 1.00 0.00 O ATOM 1514 CB TYR B 649 0.866 5.897 -3.612 1.00 0.00 C ATOM 1515 CG TYR B 649 0.580 5.981 -5.091 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.425 7.209 -5.721 1.00 0.00 C ATOM 1517 CD2 TYR B 649 0.459 4.830 -5.858 1.00 0.00 C ATOM 1518 CE1 TYR B 649 0.155 7.286 -7.072 1.00 0.00 C ATOM 1519 CE2 TYR B 649 0.192 4.900 -7.209 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.041 6.130 -7.811 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.230 6.202 -9.158 1.00 0.00 O ATOM 0 H TYR B 649 0.927 8.203 -2.625 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.200 6.342 -3.262 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.796 6.424 -3.398 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.020 4.854 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.517 8.118 -5.145 1.00 0.00 H new ATOM 0 HD2 TYR B 649 0.576 3.864 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR B 649 0.034 8.248 -7.547 1.00 0.00 H new ATOM 0 HE2 TYR B 649 0.102 3.995 -7.792 1.00 0.00 H new ATOM 0 HH TYR B 649 -0.277 5.297 -9.531 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.448 5.083 -1.156 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.623 4.257 0.036 1.00 0.00 C ATOM 1533 C PRO B 650 -0.682 3.061 0.027 1.00 0.00 C ATOM 1534 O PRO B 650 -0.437 2.465 -1.020 1.00 0.00 O ATOM 1535 CB PRO B 650 -3.081 3.786 -0.051 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.730 4.697 -1.032 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.654 5.083 -1.997 1.00 0.00 C ATOM 0 HA PRO B 650 -1.402 4.806 0.951 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -3.140 2.748 -0.379 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.571 3.841 0.921 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -4.554 4.199 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.145 5.575 -0.537 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.574 4.372 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.839 6.062 -2.439 1.00 0.00 H new ATOM 1545 N PHE B 651 -0.158 2.715 1.189 1.00 0.00 N ATOM 1546 CA PHE B 651 0.776 1.610 1.306 1.00 0.00 C ATOM 1547 C PHE B 651 0.422 0.721 2.485 1.00 0.00 C ATOM 1548 O PHE B 651 0.585 1.098 3.652 1.00 0.00 O ATOM 1549 CB PHE B 651 2.212 2.121 1.442 1.00 0.00 C ATOM 1550 CG PHE B 651 2.979 2.104 0.148 1.00 0.00 C ATOM 1551 CD1 PHE B 651 2.810 3.106 -0.792 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.868 1.077 -0.127 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.513 3.085 -1.980 1.00 0.00 C ATOM 1554 CE2 PHE B 651 4.575 1.050 -1.313 1.00 0.00 C ATOM 1555 CZ PHE B 651 4.397 2.056 -2.242 1.00 0.00 C ATOM 0 H PHE B 651 -0.365 3.186 2.070 1.00 0.00 H new ATOM 0 HA PHE B 651 0.704 1.018 0.394 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.192 3.139 1.830 1.00 0.00 H new ATOM 0 HB3 PHE B 651 2.739 1.511 2.176 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.120 3.913 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE B 651 4.010 0.287 0.596 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.372 3.873 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE B 651 5.265 0.244 -1.513 1.00 0.00 H new ATOM 0 HZ PHE B 651 4.947 2.039 -3.171 1.00 0.00 H new ATOM 1565 N PHE B 652 -0.091 -0.454 2.177 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.379 -1.433 3.198 1.00 0.00 C ATOM 1567 C PHE B 652 0.930 -1.950 3.763 1.00 0.00 C ATOM 1568 O PHE B 652 1.840 -2.282 3.010 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.207 -2.578 2.621 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.440 -2.852 3.419 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.353 -3.481 4.645 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.683 -2.465 2.950 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.484 -3.723 5.391 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.820 -2.705 3.692 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.721 -3.335 4.915 1.00 0.00 C ATOM 0 H PHE B 652 -0.316 -0.751 1.227 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.961 -0.971 3.995 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.488 -2.338 1.596 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.596 -3.480 2.581 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.388 -3.786 5.022 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.763 -1.970 1.993 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.404 -4.216 6.348 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.786 -2.400 3.317 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.609 -3.525 5.499 1.00 0.00 H new ATOM 1585 N VAL B 653 1.051 -1.990 5.077 1.00 0.00 N ATOM 1586 CA VAL B 653 2.300 -2.388 5.679 1.00 0.00 C ATOM 1587 C VAL B 653 2.139 -3.720 6.426 1.00 0.00 C ATOM 1588 O VAL B 653 1.210 -3.890 7.216 1.00 0.00 O ATOM 1589 CB VAL B 653 2.842 -1.282 6.608 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.274 -1.551 6.954 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.735 0.085 5.959 1.00 0.00 C ATOM 0 H VAL B 653 0.309 -1.755 5.736 1.00 0.00 H new ATOM 0 HA VAL B 653 3.032 -2.536 4.885 1.00 0.00 H new ATOM 0 HB VAL B 653 2.236 -1.287 7.514 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.644 -0.763 7.610 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.351 -2.512 7.462 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.871 -1.574 6.042 1.00 0.00 H new ATOM 0 HG21 VAL B 653 3.125 0.842 6.639 1.00 0.00 H new ATOM 0 HG22 VAL B 653 3.313 0.095 5.035 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.690 0.301 5.736 1.00 0.00 H new ATOM 1601 N PHE B 654 3.079 -4.634 6.169 1.00 0.00 N ATOM 1602 CA PHE B 654 2.981 -6.059 6.532 1.00 0.00 C ATOM 1603 C PHE B 654 3.012 -6.308 8.045 1.00 0.00 C ATOM 1604 O PHE B 654 3.993 -6.823 8.572 1.00 0.00 O ATOM 1605 CB PHE B 654 4.151 -6.796 5.858 1.00 0.00 C ATOM 1606 CG PHE B 654 4.099 -8.298 5.939 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.101 -9.010 5.296 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.062 -9.000 6.650 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.060 -10.390 5.363 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.027 -10.379 6.719 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.025 -11.075 6.075 1.00 0.00 C ATOM 0 H PHE B 654 3.951 -4.403 5.692 1.00 0.00 H new ATOM 0 HA PHE B 654 2.016 -6.430 6.188 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.184 -6.506 4.808 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.082 -6.456 6.312 1.00 0.00 H new ATOM 0 HD1 PHE B 654 2.345 -8.481 4.735 1.00 0.00 H new ATOM 0 HD2 PHE B 654 5.849 -8.461 7.156 1.00 0.00 H new ATOM 0 HE1 PHE B 654 2.274 -10.932 4.859 1.00 0.00 H new ATOM 0 HE2 PHE B 654 5.783 -10.912 7.276 1.00 0.00 H new ATOM 0 HZ PHE B 654 3.995 -12.153 6.128 1.00 0.00 H new ATOM 1621 N GLY B 655 1.933 -5.964 8.732 1.00 0.00 N ATOM 1622 CA GLY B 655 1.870 -6.174 10.171 1.00 0.00 C ATOM 1623 C GLY B 655 2.216 -4.924 10.941 1.00 0.00 C ATOM 1624 O GLY B 655 2.175 -4.899 12.171 1.00 0.00 O ATOM 0 H GLY B 655 1.099 -5.543 8.323 1.00 0.00 H new ATOM 0 HA2 GLY B 655 0.868 -6.503 10.446 1.00 0.00 H new ATOM 0 HA3 GLY B 655 2.556 -6.974 10.451 1.00 0.00 H new ATOM 1628 N GLN B 656 2.555 -3.881 10.207 1.00 0.00 N ATOM 1629 CA GLN B 656 2.947 -2.624 10.812 1.00 0.00 C ATOM 1630 C GLN B 656 1.745 -1.685 10.863 1.00 0.00 C ATOM 1631 O GLN B 656 1.605 -0.894 11.793 1.00 0.00 O ATOM 1632 CB GLN B 656 4.095 -1.981 10.025 1.00 0.00 C ATOM 1633 CG GLN B 656 5.423 -2.752 10.016 1.00 0.00 C ATOM 1634 CD GLN B 656 5.319 -4.162 9.460 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.397 -4.282 8.141 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 5.165 -5.121 10.209 1.00 0.00 N flip ATOM 0 H GLN B 656 2.566 -3.881 9.187 1.00 0.00 H new ATOM 0 HA GLN B 656 3.297 -2.813 11.827 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.770 -1.845 8.993 1.00 0.00 H new ATOM 0 HB3 GLN B 656 4.278 -0.988 10.435 1.00 0.00 H new ATOM 0 HG2 GLN B 656 6.151 -2.194 9.427 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.808 -2.802 11.034 1.00 0.00 H new ATOM 0 HE21 GLN B 656 5.111 -4.977 11.217 1.00 0.00 H new ATOM 0 HE22 GLN B 656 5.091 -6.062 9.824 1.00 0.00 H new ATOM 1645 N GLY B 657 0.873 -1.776 9.857 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.357 -1.008 9.883 1.00 0.00 C ATOM 1647 C GLY B 657 -0.827 -0.561 8.511 1.00 0.00 C ATOM 1648 O GLY B 657 -0.087 -0.640 7.530 1.00 0.00 O ATOM 0 H GLY B 657 0.998 -2.364 9.033 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.140 -1.608 10.348 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.213 -0.129 10.512 1.00 0.00 H new ATOM 1652 N TRP B 658 -2.072 -0.099 8.450 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.652 0.431 7.219 1.00 0.00 C ATOM 1654 C TRP B 658 -2.178 1.875 7.024 1.00 0.00 C ATOM 1655 O TRP B 658 -2.742 2.807 7.596 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.193 0.344 7.298 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.937 0.783 6.063 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.256 1.125 6.015 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.444 0.924 4.715 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.618 1.459 4.737 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.527 1.350 3.922 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.201 0.737 4.096 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.408 1.587 2.558 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.088 0.975 2.742 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.184 1.395 1.988 1.00 0.00 C ATOM 0 H TRP B 658 -2.706 -0.081 9.249 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.326 -0.155 6.360 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.469 -0.687 7.519 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.530 0.951 8.138 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.922 1.132 6.865 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.552 1.743 4.441 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.346 0.412 4.669 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.254 1.911 1.971 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.134 0.834 2.257 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.061 1.572 0.930 1.00 0.00 H new ATOM 1676 N SER B 659 -1.135 2.061 6.215 1.00 0.00 N ATOM 1677 CA SER B 659 -0.448 3.339 6.149 1.00 0.00 C ATOM 1678 C SER B 659 -0.475 3.928 4.740 1.00 0.00 C ATOM 1679 O SER B 659 -0.925 3.292 3.792 1.00 0.00 O ATOM 1680 CB SER B 659 0.999 3.156 6.612 1.00 0.00 C ATOM 1681 OG SER B 659 1.046 2.497 7.866 1.00 0.00 O ATOM 0 H SER B 659 -0.753 1.342 5.601 1.00 0.00 H new ATOM 0 HA SER B 659 -0.967 4.039 6.804 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.552 2.578 5.871 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.487 4.128 6.688 1.00 0.00 H new ATOM 0 HG SER B 659 1.980 2.388 8.144 1.00 0.00 H new ATOM 1687 N SER B 660 -0.059 5.176 4.631 1.00 0.00 N ATOM 1688 CA SER B 660 0.176 5.800 3.338 1.00 0.00 C ATOM 1689 C SER B 660 1.385 6.714 3.426 1.00 0.00 C ATOM 1690 O SER B 660 1.748 7.168 4.516 1.00 0.00 O ATOM 1691 CB SER B 660 -1.058 6.575 2.875 1.00 0.00 C ATOM 1692 OG SER B 660 -2.160 5.702 2.691 1.00 0.00 O ATOM 0 H SER B 660 0.125 5.784 5.429 1.00 0.00 H new ATOM 0 HA SER B 660 0.373 5.022 2.601 1.00 0.00 H new ATOM 0 HB2 SER B 660 -1.311 7.338 3.611 1.00 0.00 H new ATOM 0 HB3 SER B 660 -0.839 7.093 1.941 1.00 0.00 H new ATOM 0 HG SER B 660 -1.891 4.785 2.909 1.00 0.00 H new ATOM 1698 N CYS B 661 2.010 6.962 2.279 1.00 0.00 N ATOM 1699 CA CYS B 661 3.211 7.787 2.206 1.00 0.00 C ATOM 1700 C CYS B 661 2.938 9.194 2.725 1.00 0.00 C ATOM 1701 O CYS B 661 3.854 9.908 3.132 1.00 0.00 O ATOM 1702 CB CYS B 661 3.708 7.853 0.763 1.00 0.00 C ATOM 1703 SG CYS B 661 3.970 6.234 0.004 1.00 0.00 S ATOM 0 H CYS B 661 1.700 6.599 1.378 1.00 0.00 H new ATOM 0 HA CYS B 661 3.978 7.333 2.834 1.00 0.00 H new ATOM 0 HB2 CYS B 661 2.987 8.411 0.166 1.00 0.00 H new ATOM 0 HB3 CYS B 661 4.644 8.412 0.736 1.00 0.00 H new ATOM 0 HG CYS B 661 2.822 5.714 -0.316 1.00 0.00 H new ATOM 1709 N CYS B 662 1.671 9.579 2.709 1.00 0.00 N ATOM 1710 CA CYS B 662 1.261 10.870 3.212 1.00 0.00 C ATOM 1711 C CYS B 662 -0.220 10.844 3.541 1.00 0.00 C ATOM 1712 O CYS B 662 -1.060 11.179 2.702 1.00 0.00 O ATOM 1713 CB CYS B 662 1.571 11.977 2.200 1.00 0.00 C ATOM 1714 SG CYS B 662 1.065 13.634 2.717 1.00 0.00 S ATOM 0 H CYS B 662 0.908 9.006 2.349 1.00 0.00 H new ATOM 0 HA CYS B 662 1.823 11.085 4.121 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.643 11.983 2.006 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.078 11.738 1.258 1.00 0.00 H new ATOM 0 HG CYS B 662 1.376 14.491 1.790 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.555 10.434 4.774 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.939 10.373 5.245 1.00 0.00 C ATOM 1722 C PRO B 663 -2.625 11.718 5.118 1.00 0.00 C ATOM 1723 O PRO B 663 -3.840 11.798 4.946 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.808 9.975 6.714 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.483 9.311 6.810 1.00 0.00 C ATOM 1726 CD PRO B 663 0.394 10.005 5.811 1.00 0.00 C ATOM 0 HA PRO B 663 -2.543 9.675 4.665 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.862 10.847 7.366 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.611 9.302 7.015 1.00 0.00 H new ATOM 0 HG2 PRO B 663 -0.074 9.398 7.817 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.562 8.247 6.589 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.917 10.853 6.254 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.155 9.336 5.409 1.00 0.00 H new ATOM 1734 N GLU B 664 -1.824 12.771 5.199 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.306 14.118 4.989 1.00 0.00 C ATOM 1736 C GLU B 664 -3.003 14.205 3.640 1.00 0.00 C ATOM 1737 O GLU B 664 -4.201 14.446 3.571 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.141 15.104 5.034 1.00 0.00 C ATOM 1739 CG GLU B 664 -0.315 15.017 6.305 1.00 0.00 C ATOM 1740 CD GLU B 664 0.914 15.894 6.252 1.00 0.00 C ATOM 1741 OE1 GLU B 664 0.777 17.126 6.401 1.00 0.00 O ATOM 1742 OE2 GLU B 664 2.024 15.359 6.061 1.00 0.00 O1- ATOM 0 H GLU B 664 -0.828 12.711 5.411 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.013 14.371 5.779 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -0.492 14.925 4.177 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -1.530 16.117 4.933 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -0.930 15.309 7.156 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -0.013 13.983 6.469 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.249 13.947 2.576 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.756 14.081 1.216 1.00 0.00 C ATOM 1751 C ARG B 665 -3.771 12.983 0.879 1.00 0.00 C ATOM 1752 O ARG B 665 -4.788 13.255 0.237 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.595 14.061 0.215 1.00 0.00 C ATOM 1754 CG ARG B 665 -2.035 14.284 -1.221 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.860 14.252 -2.185 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.020 15.440 -2.097 1.00 0.00 N ATOM 1757 CZ ARG B 665 0.620 15.967 -3.139 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.514 15.408 -4.341 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 1.369 17.047 -2.979 1.00 0.00 N ATOM 0 H ARG B 665 -1.277 13.642 2.631 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.272 15.038 1.146 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.874 14.831 0.490 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.081 13.103 0.285 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.757 13.517 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.543 15.245 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG B 665 -0.254 13.369 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG B 665 -1.235 14.153 -3.204 1.00 0.00 H new ATOM 0 HE ARG B 665 0.083 15.892 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG B 665 -0.059 14.573 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG B 665 1.005 15.814 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG B 665 1.456 17.475 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG B 665 1.859 17.451 -3.777 1.00 0.00 H new ATOM 1773 N THR B 666 -3.509 11.753 1.315 1.00 0.00 N ATOM 1774 CA THR B 666 -4.419 10.647 1.039 1.00 0.00 C ATOM 1775 C THR B 666 -5.794 10.912 1.666 1.00 0.00 C ATOM 1776 O THR B 666 -6.827 10.704 1.030 1.00 0.00 O ATOM 1777 CB THR B 666 -3.842 9.300 1.539 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.483 9.173 1.100 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.647 8.113 1.010 1.00 0.00 C ATOM 0 H THR B 666 -2.682 11.500 1.856 1.00 0.00 H new ATOM 0 HA THR B 666 -4.537 10.575 -0.042 1.00 0.00 H new ATOM 0 HB THR B 666 -3.896 9.295 2.628 1.00 0.00 H new ATOM 0 HG1 THR B 666 -1.905 9.732 1.660 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.213 7.185 1.381 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.679 8.193 1.351 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.623 8.114 -0.080 1.00 0.00 H new ATOM 1787 N SER B 667 -5.809 11.413 2.895 1.00 0.00 N ATOM 1788 CA SER B 667 -7.065 11.754 3.553 1.00 0.00 C ATOM 1789 C SER B 667 -7.618 13.082 3.017 1.00 0.00 C ATOM 1790 O SER B 667 -8.826 13.302 3.021 1.00 0.00 O ATOM 1791 CB SER B 667 -6.878 11.823 5.066 1.00 0.00 C ATOM 1792 OG SER B 667 -8.117 11.989 5.737 1.00 0.00 O ATOM 0 H SER B 667 -4.974 11.591 3.453 1.00 0.00 H new ATOM 0 HA SER B 667 -7.788 10.969 3.331 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.393 10.911 5.415 1.00 0.00 H new ATOM 0 HB3 SER B 667 -6.215 12.652 5.314 1.00 0.00 H new ATOM 0 HG SER B 667 -7.963 12.028 6.704 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.734 13.971 2.577 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.135 15.223 1.948 1.00 0.00 C ATOM 1800 C GLN B 668 -8.025 15.000 0.736 1.00 0.00 C ATOM 1801 O GLN B 668 -9.110 15.572 0.629 1.00 0.00 O ATOM 1802 CB GLN B 668 -5.892 15.981 1.496 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.369 16.949 2.523 1.00 0.00 C ATOM 1804 CD GLN B 668 -4.105 17.653 2.076 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -3.885 17.868 0.882 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -3.262 18.014 3.029 1.00 0.00 N ATOM 0 H GLN B 668 -5.724 13.845 2.646 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.699 15.791 2.688 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.108 15.264 1.253 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.122 16.525 0.580 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -6.136 17.692 2.739 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -5.172 16.415 3.452 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -3.482 17.817 4.005 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -2.392 18.489 2.787 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.564 14.158 -0.166 1.00 0.00 N ATOM 1816 CA LEU B 669 -8.194 14.032 -1.467 1.00 0.00 C ATOM 1817 C LEU B 669 -9.138 12.844 -1.520 1.00 0.00 C ATOM 1818 O LEU B 669 -10.194 12.900 -2.145 1.00 0.00 O ATOM 1819 CB LEU B 669 -7.115 13.882 -2.534 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.891 14.786 -2.349 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.903 14.571 -3.480 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -6.294 16.254 -2.251 1.00 0.00 C ATOM 0 H LEU B 669 -6.757 13.551 -0.024 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.783 14.931 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.782 12.844 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.557 14.090 -3.508 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.409 14.516 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -4.039 15.219 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.579 13.530 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.381 14.809 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.403 16.868 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.809 16.552 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.958 16.393 -1.398 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.752 11.768 -0.864 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.512 10.532 -0.923 1.00 0.00 C ATOM 1836 C PHE B 670 -10.310 10.328 0.360 1.00 0.00 C ATOM 1837 O PHE B 670 -11.112 9.396 0.464 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.554 9.358 -1.158 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.519 9.642 -2.214 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.887 9.944 -3.515 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -6.173 9.615 -1.895 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.931 10.209 -4.476 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -5.213 9.880 -2.849 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.591 10.178 -4.141 1.00 0.00 C ATOM 0 H PHE B 670 -7.915 11.723 -0.282 1.00 0.00 H new ATOM 0 HA PHE B 670 -10.220 10.587 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -8.052 9.114 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -9.130 8.480 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.933 9.973 -3.781 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.870 9.383 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -7.230 10.440 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -4.166 9.854 -2.584 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.841 10.387 -4.890 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.079 11.224 1.327 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.707 11.159 2.655 1.00 0.00 C ATOM 1856 C ASP B 671 -10.430 9.831 3.333 1.00 0.00 C ATOM 1857 O ASP B 671 -11.108 9.455 4.285 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.217 11.397 2.579 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.570 12.867 2.459 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.361 13.616 3.438 1.00 0.00 O1- ATOM 1861 OD2 ASP B 671 -13.054 13.288 1.388 1.00 0.00 O ATOM 0 H ASP B 671 -9.449 12.018 1.211 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.263 11.956 3.251 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.623 10.858 1.723 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.691 10.985 3.469 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.398 9.153 2.869 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.135 7.796 3.290 1.00 0.00 C ATOM 1868 C LEU B 672 -8.053 7.803 4.359 1.00 0.00 C ATOM 1869 O LEU B 672 -6.894 8.115 4.085 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.745 6.952 2.067 1.00 0.00 C ATOM 1871 CG LEU B 672 -8.703 5.424 2.239 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -7.274 4.919 2.212 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -9.403 4.954 3.500 1.00 0.00 C ATOM 0 H LEU B 672 -8.727 9.525 2.197 1.00 0.00 H new ATOM 0 HA LEU B 672 -10.027 7.347 3.728 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.446 7.180 1.264 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.760 7.279 1.733 1.00 0.00 H new ATOM 0 HG LEU B 672 -9.249 5.003 1.395 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -7.268 3.836 2.335 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -6.815 5.178 1.258 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -6.710 5.379 3.023 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -9.341 3.868 3.567 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -8.922 5.400 4.371 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -10.450 5.256 3.469 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.447 7.493 5.601 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.550 7.531 6.751 1.00 0.00 C ATOM 1887 C PRO B 673 -6.430 6.509 6.641 1.00 0.00 C ATOM 1888 O PRO B 673 -6.652 5.338 6.332 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.453 7.220 7.945 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.642 6.536 7.367 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.801 7.060 5.967 1.00 0.00 C ATOM 0 HA PRO B 673 -7.049 8.495 6.836 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.944 6.582 8.668 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.739 8.131 8.470 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.503 5.455 7.363 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.533 6.740 7.961 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -10.171 6.289 5.291 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.510 7.887 5.927 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.230 6.979 6.894 1.00 0.00 N ATOM 1900 CA CYS B 674 -4.031 6.169 6.758 1.00 0.00 C ATOM 1901 C CYS B 674 -3.049 6.480 7.873 1.00 0.00 C ATOM 1902 O CYS B 674 -2.994 7.605 8.372 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.398 6.448 5.394 1.00 0.00 C ATOM 1904 SG CYS B 674 -3.961 7.987 4.635 1.00 0.00 S ATOM 0 H CYS B 674 -5.053 7.935 7.201 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.294 5.114 6.829 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.314 6.484 5.506 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -3.622 5.619 4.723 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.245 7.931 4.441 1.00 0.00 H new ATOM 1910 N SER B 675 -2.310 5.471 8.299 1.00 0.00 N ATOM 1911 CA SER B 675 -1.223 5.671 9.234 1.00 0.00 C ATOM 1912 C SER B 675 -0.035 6.272 8.492 1.00 0.00 C ATOM 1913 O SER B 675 0.114 6.071 7.285 1.00 0.00 O ATOM 1914 CB SER B 675 -0.837 4.338 9.876 1.00 0.00 C ATOM 1915 OG SER B 675 -1.978 3.688 10.412 1.00 0.00 O ATOM 0 H SER B 675 -2.446 4.502 8.010 1.00 0.00 H new ATOM 0 HA SER B 675 -1.535 6.354 10.024 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.362 3.696 9.134 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.105 4.508 10.666 1.00 0.00 H new ATOM 0 HG SER B 675 -2.485 3.266 9.687 1.00 0.00 H new ATOM 1921 N LYS B 676 0.787 7.032 9.192 1.00 0.00 N ATOM 1922 CA LYS B 676 1.936 7.657 8.566 1.00 0.00 C ATOM 1923 C LYS B 676 3.003 6.620 8.265 1.00 0.00 C ATOM 1924 O LYS B 676 3.651 6.103 9.174 1.00 0.00 O ATOM 1925 CB LYS B 676 2.507 8.772 9.449 1.00 0.00 C ATOM 1926 CG LYS B 676 3.741 9.451 8.862 1.00 0.00 C ATOM 1927 CD LYS B 676 3.491 9.932 7.440 1.00 0.00 C ATOM 1928 CE LYS B 676 4.679 10.703 6.880 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.940 9.914 6.925 1.00 0.00 N1+ ATOM 0 H LYS B 676 0.681 7.230 10.187 1.00 0.00 H new ATOM 0 HA LYS B 676 1.608 8.105 7.628 1.00 0.00 H new ATOM 0 HB2 LYS B 676 1.735 9.523 9.615 1.00 0.00 H new ATOM 0 HB3 LYS B 676 2.762 8.356 10.424 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.025 10.297 9.488 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.579 8.754 8.869 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.281 9.075 6.800 1.00 0.00 H new ATOM 0 HD3 LYS B 676 2.606 10.568 7.423 1.00 0.00 H new ATOM 0 HE2 LYS B 676 4.469 10.989 5.849 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.810 11.625 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.499 10.103 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 6.490 10.186 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 5.714 8.900 6.974 1.00 0.00 H new ATOM 1943 N LEU B 677 3.162 6.306 6.987 1.00 0.00 N ATOM 1944 CA LEU B 677 4.201 5.390 6.556 1.00 0.00 C ATOM 1945 C LEU B 677 5.560 6.033 6.762 1.00 0.00 C ATOM 1946 O LEU B 677 5.732 7.227 6.506 1.00 0.00 O ATOM 1947 CB LEU B 677 4.024 5.013 5.091 1.00 0.00 C ATOM 1948 CG LEU B 677 5.107 4.092 4.541 1.00 0.00 C ATOM 1949 CD1 LEU B 677 5.021 2.716 5.177 1.00 0.00 C ATOM 1950 CD2 LEU B 677 4.994 3.992 3.042 1.00 0.00 C ATOM 0 H LEU B 677 2.583 6.674 6.232 1.00 0.00 H new ATOM 0 HA LEU B 677 4.130 4.480 7.152 1.00 0.00 H new ATOM 0 HB2 LEU B 677 3.055 4.528 4.968 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.002 5.925 4.494 1.00 0.00 H new ATOM 0 HG LEU B 677 6.079 4.517 4.790 1.00 0.00 H new ATOM 0 HD11 LEU B 677 5.804 2.077 4.769 1.00 0.00 H new ATOM 0 HD12 LEU B 677 5.151 2.805 6.256 1.00 0.00 H new ATOM 0 HD13 LEU B 677 4.046 2.277 4.964 1.00 0.00 H new ATOM 0 HD21 LEU B 677 5.773 3.331 2.662 1.00 0.00 H new ATOM 0 HD22 LEU B 677 4.016 3.590 2.777 1.00 0.00 H new ATOM 0 HD23 LEU B 677 5.111 4.982 2.601 1.00 0.00 H new ATOM 1962 N SER B 678 6.511 5.252 7.232 1.00 0.00 N ATOM 1963 CA SER B 678 7.834 5.774 7.514 1.00 0.00 C ATOM 1964 C SER B 678 8.874 4.669 7.482 1.00 0.00 C ATOM 1965 O SER B 678 8.545 3.485 7.397 1.00 0.00 O ATOM 1966 CB SER B 678 7.854 6.468 8.877 1.00 0.00 C ATOM 1967 OG SER B 678 9.050 7.207 9.071 1.00 0.00 O ATOM 0 H SER B 678 6.394 4.258 7.426 1.00 0.00 H new ATOM 0 HA SER B 678 8.079 6.501 6.740 1.00 0.00 H new ATOM 0 HB2 SER B 678 6.996 7.136 8.958 1.00 0.00 H new ATOM 0 HB3 SER B 678 7.754 5.723 9.666 1.00 0.00 H new ATOM 0 HG SER B 678 9.029 7.639 9.951 1.00 0.00 H new ATOM 1973 N VAL B 679 10.127 5.081 7.553 1.00 0.00 N ATOM 1974 CA VAL B 679 11.247 4.171 7.556 1.00 0.00 C ATOM 1975 C VAL B 679 11.151 3.193 8.725 1.00 0.00 C ATOM 1976 O VAL B 679 10.886 3.578 9.865 1.00 0.00 O ATOM 1977 CB VAL B 679 12.573 4.966 7.575 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.497 6.134 8.542 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.758 4.074 7.905 1.00 0.00 C ATOM 0 H VAL B 679 10.393 6.064 7.610 1.00 0.00 H new ATOM 0 HA VAL B 679 11.225 3.577 6.642 1.00 0.00 H new ATOM 0 HB VAL B 679 12.725 5.362 6.571 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.443 6.675 8.534 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.693 6.805 8.240 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.300 5.762 9.547 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.671 4.669 7.909 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.613 3.625 8.888 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.841 3.287 7.155 1.00 0.00 H new ATOM 1989 N GLY B 680 11.351 1.922 8.418 1.00 0.00 N ATOM 1990 CA GLY B 680 11.132 0.870 9.383 1.00 0.00 C ATOM 1991 C GLY B 680 9.883 0.066 9.077 1.00 0.00 C ATOM 1992 O GLY B 680 9.751 -1.076 9.517 1.00 0.00 O ATOM 0 H GLY B 680 11.666 1.598 7.503 1.00 0.00 H new ATOM 0 HA2 GLY B 680 11.996 0.206 9.397 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.048 1.304 10.379 1.00 0.00 H new ATOM 1996 N ASP B 681 8.965 0.650 8.311 1.00 0.00 N ATOM 1997 CA ASP B 681 7.707 -0.028 8.004 1.00 0.00 C ATOM 1998 C ASP B 681 7.872 -0.984 6.834 1.00 0.00 C ATOM 1999 O ASP B 681 8.099 -0.568 5.702 1.00 0.00 O ATOM 2000 CB ASP B 681 6.585 0.970 7.691 1.00 0.00 C ATOM 2001 CG ASP B 681 6.114 1.744 8.907 1.00 0.00 C ATOM 2002 OD1 ASP B 681 6.185 1.201 10.031 1.00 0.00 O1- ATOM 2003 OD2 ASP B 681 5.668 2.902 8.749 1.00 0.00 O ATOM 0 H ASP B 681 9.065 1.577 7.897 1.00 0.00 H new ATOM 0 HA ASP B 681 7.430 -0.594 8.894 1.00 0.00 H new ATOM 0 HB2 ASP B 681 6.934 1.673 6.934 1.00 0.00 H new ATOM 0 HB3 ASP B 681 5.740 0.433 7.261 1.00 0.00 H new ATOM 2008 N VAL B 682 7.741 -2.272 7.103 1.00 0.00 N ATOM 2009 CA VAL B 682 7.857 -3.271 6.051 1.00 0.00 C ATOM 2010 C VAL B 682 6.632 -3.210 5.146 1.00 0.00 C ATOM 2011 O VAL B 682 5.563 -3.685 5.507 1.00 0.00 O ATOM 2012 CB VAL B 682 7.971 -4.693 6.639 1.00 0.00 C ATOM 2013 CG1 VAL B 682 8.067 -5.730 5.540 1.00 0.00 C ATOM 2014 CG2 VAL B 682 9.155 -4.806 7.581 1.00 0.00 C ATOM 0 H VAL B 682 7.556 -2.650 8.032 1.00 0.00 H new ATOM 0 HA VAL B 682 8.761 -3.053 5.482 1.00 0.00 H new ATOM 0 HB VAL B 682 7.064 -4.884 7.212 1.00 0.00 H new ATOM 0 HG11 VAL B 682 8.146 -6.723 5.983 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.175 -5.681 4.915 1.00 0.00 H new ATOM 0 HG13 VAL B 682 8.949 -5.533 4.930 1.00 0.00 H new ATOM 0 HG21 VAL B 682 9.208 -5.819 7.979 1.00 0.00 H new ATOM 0 HG22 VAL B 682 10.074 -4.580 7.040 1.00 0.00 H new ATOM 0 HG23 VAL B 682 9.035 -4.100 8.403 1.00 0.00 H new ATOM 2024 N CYS B 683 6.798 -2.666 3.958 1.00 0.00 N ATOM 2025 CA CYS B 683 5.664 -2.414 3.086 1.00 0.00 C ATOM 2026 C CYS B 683 5.210 -3.677 2.385 1.00 0.00 C ATOM 2027 O CYS B 683 6.024 -4.514 1.988 1.00 0.00 O ATOM 2028 CB CYS B 683 6.008 -1.340 2.061 1.00 0.00 C ATOM 2029 SG CYS B 683 6.258 0.297 2.787 1.00 0.00 S ATOM 0 H CYS B 683 7.702 -2.390 3.573 1.00 0.00 H new ATOM 0 HA CYS B 683 4.842 -2.062 3.709 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.912 -1.634 1.528 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.207 -1.283 1.324 1.00 0.00 H new ATOM 0 HG CYS B 683 7.145 0.948 2.095 1.00 0.00 H new ATOM 2035 N ILE B 684 3.902 -3.807 2.259 1.00 0.00 N ATOM 2036 CA ILE B 684 3.309 -4.895 1.520 1.00 0.00 C ATOM 2037 C ILE B 684 3.296 -4.546 0.044 1.00 0.00 C ATOM 2038 O ILE B 684 2.505 -3.709 -0.397 1.00 0.00 O ATOM 2039 CB ILE B 684 1.855 -5.175 1.958 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.812 -5.726 3.376 1.00 0.00 C ATOM 2041 CG2 ILE B 684 1.176 -6.140 0.992 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.406 -5.889 3.907 1.00 0.00 C ATOM 0 H ILE B 684 3.226 -3.161 2.667 1.00 0.00 H new ATOM 0 HA ILE B 684 3.907 -5.785 1.717 1.00 0.00 H new ATOM 0 HB ILE B 684 1.311 -4.230 1.941 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.317 -6.692 3.400 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.368 -5.059 4.035 1.00 0.00 H new ATOM 0 HG21 ILE B 684 0.153 -6.323 1.320 1.00 0.00 H new ATOM 0 HG22 ILE B 684 1.165 -5.706 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.725 -7.082 0.973 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.444 -6.285 4.922 1.00 0.00 H new ATOM 0 HD12 ILE B 684 -0.095 -4.921 3.914 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.146 -6.578 3.269 1.00 0.00 H new ATOM 2054 N SER B 685 4.178 -5.148 -0.712 1.00 0.00 N ATOM 2055 CA SER B 685 4.149 -4.973 -2.142 1.00 0.00 C ATOM 2056 C SER B 685 3.367 -6.116 -2.759 1.00 0.00 C ATOM 2057 O SER B 685 3.734 -7.281 -2.615 1.00 0.00 O ATOM 2058 CB SER B 685 5.569 -4.903 -2.691 1.00 0.00 C ATOM 2059 OG SER B 685 5.580 -4.773 -4.101 1.00 0.00 O ATOM 0 H SER B 685 4.919 -5.758 -0.366 1.00 0.00 H new ATOM 0 HA SER B 685 3.656 -4.035 -2.397 1.00 0.00 H new ATOM 0 HB2 SER B 685 6.091 -4.057 -2.244 1.00 0.00 H new ATOM 0 HB3 SER B 685 6.115 -5.802 -2.404 1.00 0.00 H new ATOM 0 HG SER B 685 6.506 -4.729 -4.418 1.00 0.00 H new ATOM 2065 N LEU B 686 2.277 -5.788 -3.421 1.00 0.00 N ATOM 2066 CA LEU B 686 1.424 -6.801 -3.990 1.00 0.00 C ATOM 2067 C LEU B 686 1.712 -6.950 -5.472 1.00 0.00 C ATOM 2068 O LEU B 686 1.723 -5.971 -6.217 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.042 -6.437 -3.762 1.00 0.00 C ATOM 2070 CG LEU B 686 -0.962 -7.600 -3.388 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -0.994 -8.648 -4.481 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.533 -8.226 -2.074 1.00 0.00 C ATOM 0 H LEU B 686 1.964 -4.830 -3.576 1.00 0.00 H new ATOM 0 HA LEU B 686 1.625 -7.754 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.093 -5.688 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.427 -5.970 -4.669 1.00 0.00 H new ATOM 0 HG LEU B 686 -1.969 -7.199 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.656 -9.462 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.360 -8.199 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU B 686 0.011 -9.038 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.202 -9.051 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.487 -8.600 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.575 -7.477 -1.283 1.00 0.00 H new ATOM 2084 N THR B 687 1.956 -8.173 -5.890 1.00 0.00 N ATOM 2085 CA THR B 687 2.167 -8.462 -7.284 1.00 0.00 C ATOM 2086 C THR B 687 0.880 -8.986 -7.902 1.00 0.00 C ATOM 2087 O THR B 687 0.346 -10.011 -7.471 1.00 0.00 O ATOM 2088 CB THR B 687 3.285 -9.499 -7.455 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.493 -9.015 -6.856 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.519 -9.804 -8.921 1.00 0.00 C ATOM 0 H THR B 687 2.013 -8.986 -5.276 1.00 0.00 H new ATOM 0 HA THR B 687 2.463 -7.543 -7.790 1.00 0.00 H new ATOM 0 HB THR B 687 2.980 -10.420 -6.959 1.00 0.00 H new ATOM 0 HG1 THR B 687 5.265 -9.382 -7.334 1.00 0.00 H new ATOM 0 HG21 THR B 687 4.316 -10.542 -9.017 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.604 -10.200 -9.361 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.806 -8.890 -9.441 1.00 0.00 H new ATOM 2098 N LEU B 688 0.375 -8.267 -8.891 1.00 0.00 N ATOM 2099 CA LEU B 688 -0.855 -8.649 -9.559 1.00 0.00 C ATOM 2100 C LEU B 688 -0.518 -9.364 -10.861 1.00 0.00 C ATOM 2101 O LEU B 688 -0.235 -8.720 -11.870 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.740 -7.418 -9.851 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.149 -6.542 -8.647 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -2.707 -7.379 -7.504 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -0.986 -5.690 -8.166 1.00 0.00 C ATOM 0 H LEU B 688 0.801 -7.412 -9.249 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.414 -9.315 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.214 -6.785 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.650 -7.765 -10.341 1.00 0.00 H new ATOM 0 HG LEU B 688 -2.942 -5.877 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -2.983 -6.726 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -3.588 -7.922 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -1.950 -8.089 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -1.305 -5.084 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -0.163 -6.336 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -0.655 -5.037 -8.974 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.531 -10.689 -10.832 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.188 -11.479 -12.001 1.00 0.00 C ATOM 2119 C LYS B 689 -1.353 -11.547 -12.973 1.00 0.00 C ATOM 2120 O LYS B 689 -2.311 -12.294 -12.698 1.00 0.00 O ATOM 2121 CB LYS B 689 0.241 -12.881 -11.588 1.00 0.00 C ATOM 2122 CG LYS B 689 1.594 -12.916 -10.894 1.00 0.00 C ATOM 2123 CD LYS B 689 2.745 -12.560 -11.831 1.00 0.00 C ATOM 2124 CE LYS B 689 3.261 -13.765 -12.610 1.00 0.00 C ATOM 2125 NZ LYS B 689 2.267 -14.297 -13.580 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -1.306 -10.853 -14.010 1.00 0.00 O ATOM 0 H LYS B 689 -0.776 -11.239 -10.009 1.00 0.00 H new ATOM 0 HA LYS B 689 0.647 -10.992 -12.505 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -0.512 -13.303 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS B 689 0.277 -13.518 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.586 -12.221 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.761 -13.911 -10.482 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.414 -11.793 -12.532 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.562 -12.130 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS B 689 4.168 -13.484 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS B 689 3.535 -14.554 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 2.761 -14.811 -14.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 1.616 -14.944 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 1.727 -13.509 -13.992 1.00 0.00 H new