USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 977 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 660 SER OG : rot 157:sc= -0.273 USER MOD Set 1.2: B 666 THR OG1 : rot -72:sc= 0.438 USER MOD Set 1.3: B 674 CYS SG : rot 49:sc= -1.03 USER MOD Set 2.1: B 631 GLN :FLIP amide:sc= 0.399 F(o=-0.1,f=0.77) USER MOD Set 2.2: B 642 SER OG : rot 180:sc= 0.366 USER MOD Single : A 38 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-2.1) USER MOD Single : A 39 SER OG : rot 60:sc= 1.16 USER MOD Single : B 574 TYR OH : rot 180:sc= -0.0128 USER MOD Single : B 576 MET CE :methyl -142:sc= 0 (180deg=-1.08) USER MOD Single : B 577 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.08) USER MOD Single : B 579 SER OG : rot 92:sc= 1.09 USER MOD Single : B 582 GLN : amide:sc=-0.00213 X(o=-0.0021,f=-0.32) USER MOD Single : B 585 ASN : amide:sc= -3.59! C(o=-3.6!,f=-10!) USER MOD Single : B 589 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.961) USER MOD Single : B 590 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.544) USER MOD Single : B 595 LYS NZ :NH3+ 143:sc= 0.966 (180deg=0.24) USER MOD Single : B 596 THR OG1 : rot -79:sc= -0.861! USER MOD Single : B 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 602 SER OG : rot 87:sc= -1.07! USER MOD Single : B 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 613 SER OG : rot 48:sc= 0.0745 USER MOD Single : B 614 SER OG : rot 86:sc= -0.145 USER MOD Single : B 615 THR OG1 : rot 180:sc= -0.62 USER MOD Single : B 622 SER OG : rot 172:sc= 1.26 USER MOD Single : B 623 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : B 624 SER OG : rot 180:sc= 0 USER MOD Single : B 637 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.0095) USER MOD Single : B 640 GLN : amide:sc= 1.17 K(o=1.2,f=-0.48) USER MOD Single : B 649 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN :FLIP amide:sc= -9.61! C(o=-17!,f=-9.6!) USER MOD Single : B 659 SER OG : rot 180:sc= -2.24! USER MOD Single : B 661 CYS SG : rot 71:sc= 0.122 USER MOD Single : B 662 CYS SG : rot 180:sc= -0.628 USER MOD Single : B 667 SER OG : rot -2:sc= -1.45! USER MOD Single : B 668 GLN : amide:sc= -2! C(o=-2!,f=-6.7!) USER MOD Single : B 675 SER OG : rot 82:sc= 0.0358 USER MOD Single : B 676 LYS NZ :NH3+ -172:sc=-0.00413 (180deg=-0.0699) USER MOD Single : B 678 SER OG : rot 180:sc= -0.952 USER MOD Single : B 683 CYS SG : rot 42:sc= -2.24! USER MOD Single : B 685 SER OG : rot 180:sc= -0.0558 USER MOD Single : B 687 THR OG1 : rot 180:sc= 0 USER MOD Single : B 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PHE A 35 -14.686 -3.768 -5.575 1.00 0.00 N ATOM 20 CA PHE A 35 -13.529 -3.995 -6.427 1.00 0.00 C ATOM 21 C PHE A 35 -12.578 -4.988 -5.775 1.00 0.00 C ATOM 22 O PHE A 35 -12.570 -5.125 -4.549 1.00 0.00 O ATOM 23 CB PHE A 35 -12.797 -2.675 -6.697 1.00 0.00 C ATOM 24 CG PHE A 35 -13.605 -1.694 -7.495 1.00 0.00 C ATOM 25 CD1 PHE A 35 -13.610 -1.743 -8.879 1.00 0.00 C ATOM 26 CD2 PHE A 35 -14.367 -0.727 -6.861 1.00 0.00 C ATOM 27 CE1 PHE A 35 -14.361 -0.846 -9.614 1.00 0.00 C ATOM 28 CE2 PHE A 35 -15.116 0.169 -7.590 1.00 0.00 C ATOM 29 CZ PHE A 35 -15.115 0.111 -8.968 1.00 0.00 C ATOM 0 HA PHE A 35 -13.876 -4.407 -7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.524 -2.219 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.869 -2.886 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.021 -2.490 -9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.374 -0.675 -5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -14.358 -0.894 -10.693 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.705 0.918 -7.082 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.703 0.813 -9.540 1.00 0.00 H new ATOM 39 N PRO A 36 -11.787 -5.713 -6.591 1.00 0.00 N ATOM 40 CA PRO A 36 -10.736 -6.601 -6.088 1.00 0.00 C ATOM 41 C PRO A 36 -9.782 -5.848 -5.171 1.00 0.00 C ATOM 42 O PRO A 36 -9.509 -4.664 -5.387 1.00 0.00 O ATOM 43 CB PRO A 36 -10.014 -7.062 -7.357 1.00 0.00 C ATOM 44 CG PRO A 36 -11.021 -6.915 -8.444 1.00 0.00 C ATOM 45 CD PRO A 36 -11.868 -5.734 -8.064 1.00 0.00 C ATOM 0 HA PRO A 36 -11.130 -7.429 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.130 -6.454 -7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.677 -8.095 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.536 -6.754 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.627 -7.816 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.488 -4.810 -8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.896 -5.850 -8.408 1.00 0.00 H new ATOM 53 N TRP A 37 -9.282 -6.543 -4.155 1.00 0.00 N ATOM 54 CA TRP A 37 -8.536 -5.911 -3.076 1.00 0.00 C ATOM 55 C TRP A 37 -7.293 -5.163 -3.543 1.00 0.00 C ATOM 56 O TRP A 37 -6.782 -4.308 -2.816 1.00 0.00 O ATOM 57 CB TRP A 37 -8.185 -6.921 -1.979 1.00 0.00 C ATOM 58 CG TRP A 37 -7.583 -8.209 -2.459 1.00 0.00 C ATOM 59 CD1 TRP A 37 -8.207 -9.188 -3.174 1.00 0.00 C ATOM 60 CD2 TRP A 37 -6.255 -8.682 -2.212 1.00 0.00 C ATOM 61 NE1 TRP A 37 -7.348 -10.225 -3.407 1.00 0.00 N ATOM 62 CE2 TRP A 37 -6.144 -9.943 -2.825 1.00 0.00 C ATOM 63 CE3 TRP A 37 -5.146 -8.161 -1.543 1.00 0.00 C ATOM 64 CZ2 TRP A 37 -4.974 -10.689 -2.783 1.00 0.00 C ATOM 65 CZ3 TRP A 37 -3.985 -8.908 -1.505 1.00 0.00 C ATOM 66 CH2 TRP A 37 -3.910 -10.158 -2.123 1.00 0.00 C ATOM 0 H TRP A 37 -9.382 -7.553 -4.057 1.00 0.00 H new ATOM 0 HA TRP A 37 -9.203 -5.156 -2.661 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.489 -6.451 -1.285 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -9.090 -7.150 -1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.233 -9.149 -3.508 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.569 -11.072 -3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.195 -7.194 -1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.911 -11.657 -3.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.120 -8.519 -0.988 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.986 -10.716 -2.076 1.00 0.00 H new ATOM 77 N HIS A 38 -6.793 -5.464 -4.737 1.00 0.00 N ATOM 78 CA HIS A 38 -5.757 -4.633 -5.323 1.00 0.00 C ATOM 79 C HIS A 38 -6.373 -3.320 -5.812 1.00 0.00 C ATOM 80 O HIS A 38 -6.572 -3.108 -7.008 1.00 0.00 O ATOM 81 CB HIS A 38 -5.038 -5.361 -6.466 1.00 0.00 C ATOM 82 CG HIS A 38 -4.038 -4.514 -7.211 1.00 0.00 C ATOM 83 ND1 HIS A 38 -2.883 -4.015 -6.643 1.00 0.00 N ATOM 84 CD2 HIS A 38 -4.040 -4.074 -8.493 1.00 0.00 C ATOM 85 CE1 HIS A 38 -2.223 -3.308 -7.544 1.00 0.00 C ATOM 86 NE2 HIS A 38 -2.903 -3.330 -8.672 1.00 0.00 N ATOM 0 H HIS A 38 -7.083 -6.260 -5.305 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.010 -4.415 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.526 -6.233 -6.060 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.783 -5.728 -7.172 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.798 -4.273 -9.236 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.285 -2.798 -7.383 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.628 -2.868 -9.539 1.00 0.00 H new ATOM 95 N SER A 39 -6.709 -2.464 -4.866 1.00 0.00 N ATOM 96 CA SER A 39 -7.304 -1.175 -5.168 1.00 0.00 C ATOM 97 C SER A 39 -6.541 -0.065 -4.445 1.00 0.00 C ATOM 98 O SER A 39 -6.512 1.085 -4.884 1.00 0.00 O ATOM 99 CB SER A 39 -8.782 -1.196 -4.748 1.00 0.00 C ATOM 100 OG SER A 39 -9.418 0.041 -5.000 1.00 0.00 O ATOM 0 H SER A 39 -6.578 -2.641 -3.870 1.00 0.00 H new ATOM 0 HA SER A 39 -7.245 -0.978 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.302 -1.988 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.855 -1.432 -3.686 1.00 0.00 H new ATOM 0 HG SER A 39 -9.375 0.242 -5.958 1.00 0.00 H new ATOM 106 N LEU A 40 -5.888 -0.443 -3.355 1.00 0.00 N ATOM 107 CA LEU A 40 -5.206 0.500 -2.475 1.00 0.00 C ATOM 108 C LEU A 40 -3.847 -0.055 -2.062 1.00 0.00 C ATOM 109 O LEU A 40 -3.217 0.440 -1.133 1.00 0.00 O ATOM 110 CB LEU A 40 -6.065 0.738 -1.235 1.00 0.00 C ATOM 111 CG LEU A 40 -7.190 -0.283 -1.040 1.00 0.00 C ATOM 112 CD1 LEU A 40 -7.363 -0.614 0.424 1.00 0.00 C ATOM 113 CD2 LEU A 40 -8.497 0.246 -1.618 1.00 0.00 C ATOM 0 H LEU A 40 -5.815 -1.415 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.053 1.441 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.422 0.725 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.502 1.735 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.917 -1.195 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.167 -1.341 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.436 -1.033 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.611 0.293 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.285 -0.492 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.769 1.173 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.373 0.436 -2.684 1.00 0.00 H new ATOM 125 N VAL A 41 -3.405 -1.097 -2.757 1.00 0.00 N ATOM 126 CA VAL A 41 -2.153 -1.742 -2.452 1.00 0.00 C ATOM 127 C VAL A 41 -1.243 -1.753 -3.686 1.00 0.00 C ATOM 128 O VAL A 41 -1.307 -2.656 -4.529 1.00 0.00 O ATOM 129 CB VAL A 41 -2.388 -3.176 -1.919 1.00 0.00 C ATOM 130 CG1 VAL A 41 -3.257 -3.999 -2.867 1.00 0.00 C ATOM 131 CG2 VAL A 41 -1.066 -3.861 -1.674 1.00 0.00 C ATOM 0 H VAL A 41 -3.909 -1.510 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.654 -1.174 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.927 -3.098 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.398 -4.999 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.227 -3.515 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.768 -4.072 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.243 -4.869 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.505 -3.914 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.494 -3.295 -0.938 1.00 0.00 H new ATOM 141 N PRO A 42 -0.412 -0.714 -3.830 1.00 0.00 N ATOM 142 CA PRO A 42 0.528 -0.597 -4.938 1.00 0.00 C ATOM 143 C PRO A 42 1.756 -1.475 -4.734 1.00 0.00 C ATOM 144 O PRO A 42 1.849 -2.229 -3.762 1.00 0.00 O ATOM 145 CB PRO A 42 0.927 0.890 -4.928 1.00 0.00 C ATOM 146 CG PRO A 42 0.095 1.535 -3.864 1.00 0.00 C ATOM 147 CD PRO A 42 -0.322 0.438 -2.933 1.00 0.00 C ATOM 0 HA PRO A 42 0.088 -0.921 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.990 1.007 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.743 1.350 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.665 2.299 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.775 2.029 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.408 0.279 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.276 0.654 -2.451 1.00 0.00 H new ATOM 155 N PHE A 43 2.695 -1.382 -5.657 1.00 0.00 N ATOM 156 CA PHE A 43 3.934 -2.127 -5.555 1.00 0.00 C ATOM 157 C PHE A 43 5.125 -1.180 -5.549 1.00 0.00 C ATOM 158 O PHE A 43 5.151 -0.188 -6.281 1.00 0.00 O ATOM 159 CB PHE A 43 4.053 -3.160 -6.686 1.00 0.00 C ATOM 160 CG PHE A 43 3.779 -2.613 -8.062 1.00 0.00 C ATOM 161 CD1 PHE A 43 4.795 -2.054 -8.820 1.00 0.00 C ATOM 162 CD2 PHE A 43 2.501 -2.667 -8.596 1.00 0.00 C ATOM 163 CE1 PHE A 43 4.541 -1.558 -10.084 1.00 0.00 C ATOM 164 CE2 PHE A 43 2.242 -2.172 -9.859 1.00 0.00 C ATOM 165 CZ PHE A 43 3.263 -1.616 -10.604 1.00 0.00 C ATOM 0 H PHE A 43 2.622 -0.795 -6.488 1.00 0.00 H new ATOM 0 HA PHE A 43 3.928 -2.673 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.057 -3.583 -6.670 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.359 -3.977 -6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.796 -2.005 -8.418 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.699 -3.101 -8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.342 -1.125 -10.665 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.242 -2.220 -10.264 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.062 -1.227 -11.591 1.00 0.00 H new ATOM 300 N LEU B 571 -17.764 9.413 -2.145 1.00 0.00 N ATOM 301 CA LEU B 571 -16.570 9.398 -2.956 1.00 0.00 C ATOM 302 C LEU B 571 -16.566 8.181 -3.872 1.00 0.00 C ATOM 303 O LEU B 571 -17.357 7.257 -3.669 1.00 0.00 O ATOM 304 CB LEU B 571 -15.348 9.376 -2.047 1.00 0.00 C ATOM 305 CG LEU B 571 -15.114 10.652 -1.246 1.00 0.00 C ATOM 306 CD1 LEU B 571 -15.506 10.455 0.211 1.00 0.00 C ATOM 307 CD2 LEU B 571 -13.668 11.089 -1.374 1.00 0.00 C ATOM 0 HA LEU B 571 -16.545 10.293 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU B 571 -15.447 8.542 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU B 571 -14.465 9.181 -2.656 1.00 0.00 H new ATOM 0 HG LEU B 571 -15.746 11.442 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU B 571 -15.330 11.378 0.763 1.00 0.00 H new ATOM 0 HD12 LEU B 571 -16.562 10.191 0.271 1.00 0.00 H new ATOM 0 HD13 LEU B 571 -14.907 9.654 0.644 1.00 0.00 H new ATOM 0 HD21 LEU B 571 -13.511 12.001 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU B 571 -13.015 10.303 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU B 571 -13.436 11.277 -2.422 1.00 0.00 H new ATOM 319 N PRO B 572 -15.706 8.175 -4.911 1.00 0.00 N ATOM 320 CA PRO B 572 -15.525 7.014 -5.788 1.00 0.00 C ATOM 321 C PRO B 572 -15.425 5.696 -5.013 1.00 0.00 C ATOM 322 O PRO B 572 -14.816 5.630 -3.948 1.00 0.00 O ATOM 323 CB PRO B 572 -14.217 7.328 -6.505 1.00 0.00 C ATOM 324 CG PRO B 572 -14.187 8.816 -6.586 1.00 0.00 C ATOM 325 CD PRO B 572 -14.871 9.317 -5.342 1.00 0.00 C ATOM 0 HA PRO B 572 -16.372 6.868 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO B 572 -13.359 6.943 -5.954 1.00 0.00 H new ATOM 0 HB3 PRO B 572 -14.189 6.875 -7.496 1.00 0.00 H new ATOM 0 HG2 PRO B 572 -13.162 9.182 -6.641 1.00 0.00 H new ATOM 0 HG3 PRO B 572 -14.700 9.168 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO B 572 -14.149 9.597 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO B 572 -15.477 10.200 -5.547 1.00 0.00 H new ATOM 333 N PRO B 573 -16.024 4.634 -5.559 1.00 0.00 N ATOM 334 CA PRO B 573 -16.183 3.340 -4.876 1.00 0.00 C ATOM 335 C PRO B 573 -14.927 2.477 -4.899 1.00 0.00 C ATOM 336 O PRO B 573 -14.918 1.363 -4.374 1.00 0.00 O ATOM 337 CB PRO B 573 -17.275 2.676 -5.698 1.00 0.00 C ATOM 338 CG PRO B 573 -17.045 3.189 -7.073 1.00 0.00 C ATOM 339 CD PRO B 573 -16.591 4.607 -6.915 1.00 0.00 C ATOM 0 HA PRO B 573 -16.405 3.469 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO B 573 -17.200 1.589 -5.659 1.00 0.00 H new ATOM 0 HB3 PRO B 573 -18.267 2.941 -5.333 1.00 0.00 H new ATOM 0 HG2 PRO B 573 -16.292 2.594 -7.590 1.00 0.00 H new ATOM 0 HG3 PRO B 573 -17.957 3.136 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO B 573 -15.849 4.877 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO B 573 -17.419 5.308 -7.018 1.00 0.00 H new ATOM 347 N TYR B 574 -13.892 2.979 -5.546 1.00 0.00 N ATOM 348 CA TYR B 574 -12.656 2.218 -5.718 1.00 0.00 C ATOM 349 C TYR B 574 -11.826 2.113 -4.438 1.00 0.00 C ATOM 350 O TYR B 574 -11.920 1.119 -3.724 1.00 0.00 O ATOM 351 CB TYR B 574 -11.844 2.806 -6.864 1.00 0.00 C ATOM 352 CG TYR B 574 -10.687 1.953 -7.331 1.00 0.00 C ATOM 353 CD1 TYR B 574 -10.907 0.692 -7.870 1.00 0.00 C ATOM 354 CD2 TYR B 574 -9.382 2.416 -7.259 1.00 0.00 C ATOM 355 CE1 TYR B 574 -9.857 -0.084 -8.319 1.00 0.00 C ATOM 356 CE2 TYR B 574 -8.326 1.646 -7.703 1.00 0.00 C ATOM 357 CZ TYR B 574 -8.569 0.397 -8.233 1.00 0.00 C ATOM 358 OH TYR B 574 -7.519 -0.373 -8.682 1.00 0.00 O ATOM 0 H TYR B 574 -13.877 3.910 -5.963 1.00 0.00 H new ATOM 0 HA TYR B 574 -12.937 1.194 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR B 574 -12.510 2.982 -7.709 1.00 0.00 H new ATOM 0 HB3 TYR B 574 -11.458 3.777 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR B 574 -11.916 0.312 -7.939 1.00 0.00 H new ATOM 0 HD2 TYR B 574 -9.188 3.396 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR B 574 -10.044 -1.063 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR B 574 -7.315 2.020 -7.636 1.00 0.00 H new ATOM 0 HH TYR B 574 -6.678 0.112 -8.550 1.00 0.00 H new ATOM 368 N PHE B 575 -11.002 3.108 -4.152 1.00 0.00 N ATOM 369 CA PHE B 575 -10.137 3.038 -2.980 1.00 0.00 C ATOM 370 C PHE B 575 -10.446 4.174 -2.020 1.00 0.00 C ATOM 371 O PHE B 575 -9.831 4.295 -0.961 1.00 0.00 O ATOM 372 CB PHE B 575 -8.664 3.088 -3.401 1.00 0.00 C ATOM 373 CG PHE B 575 -8.137 4.476 -3.600 1.00 0.00 C ATOM 374 CD1 PHE B 575 -8.509 5.228 -4.700 1.00 0.00 C ATOM 375 CD2 PHE B 575 -7.280 5.033 -2.666 1.00 0.00 C ATOM 376 CE1 PHE B 575 -8.035 6.511 -4.865 1.00 0.00 C ATOM 377 CE2 PHE B 575 -6.809 6.315 -2.823 1.00 0.00 C ATOM 378 CZ PHE B 575 -7.186 7.053 -3.924 1.00 0.00 C ATOM 0 H PHE B 575 -10.912 3.961 -4.703 1.00 0.00 H new ATOM 0 HA PHE B 575 -10.325 2.093 -2.471 1.00 0.00 H new ATOM 0 HB2 PHE B 575 -8.062 2.587 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE B 575 -8.542 2.527 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE B 575 -9.177 4.805 -5.436 1.00 0.00 H new ATOM 0 HD2 PHE B 575 -6.978 4.454 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE B 575 -8.328 7.090 -5.728 1.00 0.00 H new ATOM 0 HE2 PHE B 575 -6.146 6.742 -2.086 1.00 0.00 H new ATOM 0 HZ PHE B 575 -6.815 8.059 -4.050 1.00 0.00 H new ATOM 388 N MET B 576 -11.412 4.997 -2.395 1.00 0.00 N ATOM 389 CA MET B 576 -11.760 6.173 -1.597 1.00 0.00 C ATOM 390 C MET B 576 -12.423 5.754 -0.288 1.00 0.00 C ATOM 391 O MET B 576 -12.733 4.581 -0.095 1.00 0.00 O ATOM 392 CB MET B 576 -12.696 7.095 -2.373 1.00 0.00 C ATOM 393 CG MET B 576 -12.154 7.542 -3.719 1.00 0.00 C ATOM 394 SD MET B 576 -10.741 8.646 -3.585 1.00 0.00 S ATOM 395 CE MET B 576 -10.488 9.070 -5.308 1.00 0.00 C ATOM 0 H MET B 576 -11.969 4.878 -3.241 1.00 0.00 H new ATOM 0 HA MET B 576 -10.839 6.712 -1.374 1.00 0.00 H new ATOM 0 HB2 MET B 576 -13.646 6.583 -2.528 1.00 0.00 H new ATOM 0 HB3 MET B 576 -12.904 7.977 -1.767 1.00 0.00 H new ATOM 0 HG2 MET B 576 -11.867 6.664 -4.297 1.00 0.00 H new ATOM 0 HG3 MET B 576 -12.947 8.043 -4.274 1.00 0.00 H new ATOM 0 HE1 MET B 576 -9.420 9.133 -5.514 1.00 0.00 H new ATOM 0 HE2 MET B 576 -10.935 8.303 -5.941 1.00 0.00 H new ATOM 0 HE3 MET B 576 -10.955 10.032 -5.518 1.00 0.00 H new ATOM 405 N LYS B 577 -12.655 6.706 0.601 1.00 0.00 N ATOM 406 CA LYS B 577 -13.245 6.400 1.901 1.00 0.00 C ATOM 407 C LYS B 577 -14.608 5.723 1.764 1.00 0.00 C ATOM 408 O LYS B 577 -15.453 6.147 0.973 1.00 0.00 O ATOM 409 CB LYS B 577 -13.394 7.672 2.737 1.00 0.00 C ATOM 410 CG LYS B 577 -14.060 7.437 4.085 1.00 0.00 C ATOM 411 CD LYS B 577 -14.276 8.736 4.843 1.00 0.00 C ATOM 412 CE LYS B 577 -15.118 8.519 6.091 1.00 0.00 C ATOM 413 NZ LYS B 577 -14.467 7.599 7.063 1.00 0.00 N1+ ATOM 0 H LYS B 577 -12.446 7.693 0.451 1.00 0.00 H new ATOM 0 HA LYS B 577 -12.568 5.708 2.402 1.00 0.00 H new ATOM 0 HB2 LYS B 577 -12.408 8.109 2.899 1.00 0.00 H new ATOM 0 HB3 LYS B 577 -13.977 8.401 2.174 1.00 0.00 H new ATOM 0 HG2 LYS B 577 -15.019 6.940 3.935 1.00 0.00 H new ATOM 0 HG3 LYS B 577 -13.443 6.766 4.683 1.00 0.00 H new ATOM 0 HD2 LYS B 577 -13.312 9.160 5.123 1.00 0.00 H new ATOM 0 HD3 LYS B 577 -14.767 9.461 4.193 1.00 0.00 H new ATOM 0 HE2 LYS B 577 -15.303 9.479 6.572 1.00 0.00 H new ATOM 0 HE3 LYS B 577 -16.088 8.113 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 577 -15.047 7.537 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 577 -14.375 6.654 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 577 -13.524 7.963 7.307 1.00 0.00 H new ATOM 427 N GLY B 578 -14.801 4.655 2.533 1.00 0.00 N ATOM 428 CA GLY B 578 -16.092 3.993 2.598 1.00 0.00 C ATOM 429 C GLY B 578 -16.291 2.954 1.515 1.00 0.00 C ATOM 430 O GLY B 578 -17.293 2.237 1.522 1.00 0.00 O ATOM 0 H GLY B 578 -14.079 4.233 3.117 1.00 0.00 H new ATOM 0 HA2 GLY B 578 -16.199 3.516 3.572 1.00 0.00 H new ATOM 0 HA3 GLY B 578 -16.880 4.742 2.522 1.00 0.00 H new ATOM 434 N SER B 579 -15.345 2.866 0.593 1.00 0.00 N ATOM 435 CA SER B 579 -15.423 1.900 -0.493 1.00 0.00 C ATOM 436 C SER B 579 -15.351 0.472 0.038 1.00 0.00 C ATOM 437 O SER B 579 -14.693 0.202 1.048 1.00 0.00 O ATOM 438 CB SER B 579 -14.299 2.152 -1.492 1.00 0.00 C ATOM 439 OG SER B 579 -14.296 3.507 -1.910 1.00 0.00 O ATOM 0 H SER B 579 -14.511 3.454 0.575 1.00 0.00 H new ATOM 0 HA SER B 579 -16.382 2.023 -0.996 1.00 0.00 H new ATOM 0 HB2 SER B 579 -13.340 1.904 -1.038 1.00 0.00 H new ATOM 0 HB3 SER B 579 -14.421 1.500 -2.357 1.00 0.00 H new ATOM 0 HG SER B 579 -13.699 4.026 -1.332 1.00 0.00 H new ATOM 445 N ILE B 580 -16.052 -0.431 -0.632 1.00 0.00 N ATOM 446 CA ILE B 580 -16.052 -1.828 -0.255 1.00 0.00 C ATOM 447 C ILE B 580 -14.998 -2.590 -1.044 1.00 0.00 C ATOM 448 O ILE B 580 -15.065 -2.697 -2.271 1.00 0.00 O ATOM 449 CB ILE B 580 -17.439 -2.469 -0.464 1.00 0.00 C ATOM 450 CG1 ILE B 580 -18.465 -1.814 0.464 1.00 0.00 C ATOM 451 CG2 ILE B 580 -17.384 -3.970 -0.225 1.00 0.00 C ATOM 452 CD1 ILE B 580 -18.108 -1.910 1.935 1.00 0.00 C ATOM 0 H ILE B 580 -16.630 -0.214 -1.444 1.00 0.00 H new ATOM 0 HA ILE B 580 -15.812 -1.885 0.807 1.00 0.00 H new ATOM 0 HB ILE B 580 -17.744 -2.304 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE B 580 -18.568 -0.763 0.192 1.00 0.00 H new ATOM 0 HG13 ILE B 580 -19.437 -2.282 0.304 1.00 0.00 H new ATOM 0 HG21 ILE B 580 -18.374 -4.399 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE B 580 -16.680 -4.424 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE B 580 -17.059 -4.164 0.797 1.00 0.00 H new ATOM 0 HD11 ILE B 580 -18.881 -1.424 2.530 1.00 0.00 H new ATOM 0 HD12 ILE B 580 -18.034 -2.958 2.224 1.00 0.00 H new ATOM 0 HD13 ILE B 580 -17.152 -1.417 2.110 1.00 0.00 H new ATOM 464 N ILE B 581 -14.022 -3.103 -0.322 1.00 0.00 N ATOM 465 CA ILE B 581 -12.899 -3.795 -0.918 1.00 0.00 C ATOM 466 C ILE B 581 -13.059 -5.298 -0.731 1.00 0.00 C ATOM 467 O ILE B 581 -13.288 -5.764 0.389 1.00 0.00 O ATOM 468 CB ILE B 581 -11.577 -3.333 -0.269 1.00 0.00 C ATOM 469 CG1 ILE B 581 -11.526 -1.806 -0.163 1.00 0.00 C ATOM 470 CG2 ILE B 581 -10.387 -3.842 -1.053 1.00 0.00 C ATOM 471 CD1 ILE B 581 -11.719 -1.081 -1.476 1.00 0.00 C ATOM 0 H ILE B 581 -13.986 -3.051 0.696 1.00 0.00 H new ATOM 0 HA ILE B 581 -12.872 -3.562 -1.982 1.00 0.00 H new ATOM 0 HB ILE B 581 -11.534 -3.751 0.737 1.00 0.00 H new ATOM 0 HG12 ILE B 581 -12.295 -1.477 0.536 1.00 0.00 H new ATOM 0 HG13 ILE B 581 -10.565 -1.515 0.260 1.00 0.00 H new ATOM 0 HG21 ILE B 581 -9.466 -3.504 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE B 581 -10.405 -4.932 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE B 581 -10.431 -3.457 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE B 581 -11.668 -0.005 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE B 581 -10.936 -1.377 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE B 581 -12.693 -1.338 -1.894 1.00 0.00 H new ATOM 483 N GLN B 582 -12.958 -6.051 -1.818 1.00 0.00 N ATOM 484 CA GLN B 582 -13.136 -7.495 -1.749 1.00 0.00 C ATOM 485 C GLN B 582 -11.800 -8.205 -1.727 1.00 0.00 C ATOM 486 O GLN B 582 -11.024 -8.127 -2.676 1.00 0.00 O ATOM 487 CB GLN B 582 -13.972 -8.002 -2.917 1.00 0.00 C ATOM 488 CG GLN B 582 -14.307 -9.488 -2.826 1.00 0.00 C ATOM 489 CD GLN B 582 -15.316 -9.917 -3.871 1.00 0.00 C ATOM 490 OE1 GLN B 582 -15.373 -9.360 -4.968 1.00 0.00 O ATOM 491 NE2 GLN B 582 -16.134 -10.901 -3.533 1.00 0.00 N ATOM 0 H GLN B 582 -12.756 -5.690 -2.750 1.00 0.00 H new ATOM 0 HA GLN B 582 -13.665 -7.715 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN B 582 -14.899 -7.431 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN B 582 -13.434 -7.815 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN B 582 -13.394 -10.072 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN B 582 -14.699 -9.709 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN B 582 -16.055 -11.337 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN B 582 -16.843 -11.223 -4.191 1.00 0.00 H new ATOM 500 N LEU B 583 -11.555 -8.913 -0.644 1.00 0.00 N ATOM 501 CA LEU B 583 -10.290 -9.597 -0.445 1.00 0.00 C ATOM 502 C LEU B 583 -10.279 -10.937 -1.168 1.00 0.00 C ATOM 503 O LEU B 583 -11.316 -11.373 -1.672 1.00 0.00 O ATOM 504 CB LEU B 583 -10.043 -9.790 1.045 1.00 0.00 C ATOM 505 CG LEU B 583 -10.095 -8.508 1.870 1.00 0.00 C ATOM 506 CD1 LEU B 583 -9.987 -8.832 3.351 1.00 0.00 C ATOM 507 CD2 LEU B 583 -8.988 -7.558 1.430 1.00 0.00 C ATOM 0 H LEU B 583 -12.221 -9.031 0.120 1.00 0.00 H new ATOM 0 HA LEU B 583 -9.490 -8.986 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU B 583 -10.784 -10.488 1.435 1.00 0.00 H new ATOM 0 HB3 LEU B 583 -9.066 -10.254 1.181 1.00 0.00 H new ATOM 0 HG LEU B 583 -11.052 -8.013 1.703 1.00 0.00 H new ATOM 0 HD11 LEU B 583 -10.025 -7.909 3.929 1.00 0.00 H new ATOM 0 HD12 LEU B 583 -10.815 -9.478 3.643 1.00 0.00 H new ATOM 0 HD13 LEU B 583 -9.043 -9.342 3.544 1.00 0.00 H new ATOM 0 HD21 LEU B 583 -9.034 -6.646 2.025 1.00 0.00 H new ATOM 0 HD22 LEU B 583 -8.019 -8.037 1.573 1.00 0.00 H new ATOM 0 HD23 LEU B 583 -9.118 -7.311 0.376 1.00 0.00 H new ATOM 519 N ALA B 584 -9.128 -11.600 -1.218 1.00 0.00 N ATOM 520 CA ALA B 584 -9.032 -12.859 -1.950 1.00 0.00 C ATOM 521 C ALA B 584 -9.909 -13.921 -1.305 1.00 0.00 C ATOM 522 O ALA B 584 -10.486 -14.770 -1.984 1.00 0.00 O ATOM 523 CB ALA B 584 -7.592 -13.345 -2.041 1.00 0.00 C ATOM 0 H ALA B 584 -8.264 -11.295 -0.770 1.00 0.00 H new ATOM 0 HA ALA B 584 -9.387 -12.678 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -7.559 -14.285 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA B 584 -6.988 -12.599 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA B 584 -7.196 -13.500 -1.037 1.00 0.00 H new ATOM 529 N ASN B 585 -10.034 -13.840 0.013 1.00 0.00 N ATOM 530 CA ASN B 585 -10.850 -14.780 0.765 1.00 0.00 C ATOM 531 C ASN B 585 -12.335 -14.471 0.574 1.00 0.00 C ATOM 532 O ASN B 585 -13.197 -15.232 1.006 1.00 0.00 O ATOM 533 CB ASN B 585 -10.466 -14.747 2.251 1.00 0.00 C ATOM 534 CG ASN B 585 -10.785 -13.427 2.929 1.00 0.00 C ATOM 535 OD1 ASN B 585 -10.917 -12.392 2.279 1.00 0.00 O ATOM 536 ND2 ASN B 585 -10.874 -13.452 4.247 1.00 0.00 N ATOM 0 H ASN B 585 -9.578 -13.129 0.584 1.00 0.00 H new ATOM 0 HA ASN B 585 -10.665 -15.786 0.388 1.00 0.00 H new ATOM 0 HB2 ASN B 585 -10.989 -15.549 2.771 1.00 0.00 H new ATOM 0 HB3 ASN B 585 -9.399 -14.947 2.347 1.00 0.00 H new ATOM 0 HD21 ASN B 585 -11.059 -12.591 4.762 1.00 0.00 H new ATOM 0 HD22 ASN B 585 -10.758 -14.332 4.749 1.00 0.00 H new ATOM 543 N GLY B 586 -12.622 -13.347 -0.081 1.00 0.00 N ATOM 544 CA GLY B 586 -13.986 -13.016 -0.435 1.00 0.00 C ATOM 545 C GLY B 586 -14.614 -11.998 0.492 1.00 0.00 C ATOM 546 O GLY B 586 -15.797 -11.683 0.356 1.00 0.00 O ATOM 0 H GLY B 586 -11.927 -12.659 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY B 586 -14.006 -12.630 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY B 586 -14.587 -13.925 -0.426 1.00 0.00 H new ATOM 550 N GLU B 587 -13.840 -11.483 1.440 1.00 0.00 N ATOM 551 CA GLU B 587 -14.352 -10.487 2.368 1.00 0.00 C ATOM 552 C GLU B 587 -14.658 -9.181 1.692 1.00 0.00 C ATOM 553 O GLU B 587 -14.007 -8.789 0.730 1.00 0.00 O ATOM 554 CB GLU B 587 -13.387 -10.222 3.501 1.00 0.00 C ATOM 555 CG GLU B 587 -13.288 -11.360 4.471 1.00 0.00 C ATOM 556 CD GLU B 587 -12.683 -10.948 5.792 1.00 0.00 C ATOM 557 OE1 GLU B 587 -13.363 -10.240 6.567 1.00 0.00 O1- ATOM 558 OE2 GLU B 587 -11.528 -11.321 6.063 1.00 0.00 O ATOM 0 H GLU B 587 -12.863 -11.737 1.584 1.00 0.00 H new ATOM 0 HA GLU B 587 -15.275 -10.909 2.765 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -12.399 -10.018 3.088 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -13.701 -9.325 4.034 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -14.282 -11.772 4.644 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -12.685 -12.155 4.032 1.00 0.00 H new ATOM 565 N LEU B 588 -15.647 -8.515 2.237 1.00 0.00 N ATOM 566 CA LEU B 588 -16.061 -7.218 1.756 1.00 0.00 C ATOM 567 C LEU B 588 -15.932 -6.209 2.880 1.00 0.00 C ATOM 568 O LEU B 588 -16.839 -6.033 3.695 1.00 0.00 O ATOM 569 CB LEU B 588 -17.488 -7.308 1.237 1.00 0.00 C ATOM 570 CG LEU B 588 -17.683 -8.402 0.191 1.00 0.00 C ATOM 571 CD1 LEU B 588 -19.144 -8.513 -0.202 1.00 0.00 C ATOM 572 CD2 LEU B 588 -16.817 -8.123 -1.030 1.00 0.00 C ATOM 0 H LEU B 588 -16.190 -8.858 3.030 1.00 0.00 H new ATOM 0 HA LEU B 588 -15.426 -6.891 0.933 1.00 0.00 H new ATOM 0 HB2 LEU B 588 -18.161 -7.492 2.075 1.00 0.00 H new ATOM 0 HB3 LEU B 588 -17.771 -6.348 0.806 1.00 0.00 H new ATOM 0 HG LEU B 588 -17.376 -9.354 0.623 1.00 0.00 H new ATOM 0 HD11 LEU B 588 -19.261 -9.298 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU B 588 -19.740 -8.756 0.678 1.00 0.00 H new ATOM 0 HD13 LEU B 588 -19.482 -7.564 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU B 588 -16.965 -8.911 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU B 588 -17.097 -7.162 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU B 588 -15.768 -8.096 -0.734 1.00 0.00 H new ATOM 584 N LYS B 589 -14.783 -5.567 2.919 1.00 0.00 N ATOM 585 CA LYS B 589 -14.393 -4.743 4.048 1.00 0.00 C ATOM 586 C LYS B 589 -14.283 -3.288 3.620 1.00 0.00 C ATOM 587 O LYS B 589 -14.142 -2.992 2.437 1.00 0.00 O ATOM 588 CB LYS B 589 -13.051 -5.238 4.561 1.00 0.00 C ATOM 589 CG LYS B 589 -12.785 -4.997 6.041 1.00 0.00 C ATOM 590 CD LYS B 589 -11.580 -5.796 6.530 1.00 0.00 C ATOM 591 CE LYS B 589 -11.846 -7.290 6.530 1.00 0.00 C ATOM 592 NZ LYS B 589 -12.805 -7.698 7.589 1.00 0.00 N1+ ATOM 0 H LYS B 589 -14.092 -5.601 2.170 1.00 0.00 H new ATOM 0 HA LYS B 589 -15.143 -4.812 4.836 1.00 0.00 H new ATOM 0 HB2 LYS B 589 -12.980 -6.308 4.367 1.00 0.00 H new ATOM 0 HB3 LYS B 589 -12.261 -4.756 3.985 1.00 0.00 H new ATOM 0 HG2 LYS B 589 -12.612 -3.935 6.212 1.00 0.00 H new ATOM 0 HG3 LYS B 589 -13.666 -5.274 6.620 1.00 0.00 H new ATOM 0 HD2 LYS B 589 -10.721 -5.581 5.894 1.00 0.00 H new ATOM 0 HD3 LYS B 589 -11.318 -5.475 7.538 1.00 0.00 H new ATOM 0 HE2 LYS B 589 -12.237 -7.586 5.557 1.00 0.00 H new ATOM 0 HE3 LYS B 589 -10.906 -7.823 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 589 -13.057 -8.699 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 589 -12.367 -7.567 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 589 -13.663 -7.114 7.524 1.00 0.00 H new ATOM 606 N LYS B 590 -14.344 -2.386 4.581 1.00 0.00 N ATOM 607 CA LYS B 590 -14.208 -0.969 4.296 1.00 0.00 C ATOM 608 C LYS B 590 -12.740 -0.596 4.194 1.00 0.00 C ATOM 609 O LYS B 590 -11.933 -1.075 4.990 1.00 0.00 O ATOM 610 CB LYS B 590 -14.888 -0.130 5.378 1.00 0.00 C ATOM 611 CG LYS B 590 -16.395 -0.218 5.358 1.00 0.00 C ATOM 612 CD LYS B 590 -17.005 0.842 4.465 1.00 0.00 C ATOM 613 CE LYS B 590 -18.515 0.763 4.489 1.00 0.00 C ATOM 614 NZ LYS B 590 -19.142 1.776 3.600 1.00 0.00 N1+ ATOM 0 H LYS B 590 -14.487 -2.609 5.566 1.00 0.00 H new ATOM 0 HA LYS B 590 -14.696 -0.762 3.343 1.00 0.00 H new ATOM 0 HB2 LYS B 590 -14.527 -0.452 6.355 1.00 0.00 H new ATOM 0 HB3 LYS B 590 -14.592 0.912 5.256 1.00 0.00 H new ATOM 0 HG2 LYS B 590 -16.697 -1.206 5.010 1.00 0.00 H new ATOM 0 HG3 LYS B 590 -16.780 -0.106 6.372 1.00 0.00 H new ATOM 0 HD2 LYS B 590 -16.683 1.830 4.794 1.00 0.00 H new ATOM 0 HD3 LYS B 590 -16.646 0.714 3.444 1.00 0.00 H new ATOM 0 HE2 LYS B 590 -18.830 -0.234 4.181 1.00 0.00 H new ATOM 0 HE3 LYS B 590 -18.869 0.908 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 590 -20.055 1.417 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 590 -19.294 2.657 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 590 -18.516 1.963 2.791 1.00 0.00 H new ATOM 628 N VAL B 591 -12.406 0.243 3.217 1.00 0.00 N ATOM 629 CA VAL B 591 -11.008 0.575 2.910 1.00 0.00 C ATOM 630 C VAL B 591 -10.213 0.883 4.167 1.00 0.00 C ATOM 631 O VAL B 591 -9.133 0.342 4.390 1.00 0.00 O ATOM 632 CB VAL B 591 -10.896 1.823 2.015 1.00 0.00 C ATOM 633 CG1 VAL B 591 -9.536 1.875 1.351 1.00 0.00 C ATOM 634 CG2 VAL B 591 -11.999 1.884 0.987 1.00 0.00 C ATOM 0 H VAL B 591 -13.086 0.711 2.618 1.00 0.00 H new ATOM 0 HA VAL B 591 -10.611 -0.304 2.402 1.00 0.00 H new ATOM 0 HB VAL B 591 -11.008 2.698 2.655 1.00 0.00 H new ATOM 0 HG11 VAL B 591 -9.472 2.763 0.722 1.00 0.00 H new ATOM 0 HG12 VAL B 591 -8.759 1.915 2.115 1.00 0.00 H new ATOM 0 HG13 VAL B 591 -9.396 0.985 0.738 1.00 0.00 H new ATOM 0 HG21 VAL B 591 -11.880 2.780 0.378 1.00 0.00 H new ATOM 0 HG22 VAL B 591 -11.950 1.002 0.348 1.00 0.00 H new ATOM 0 HG23 VAL B 591 -12.965 1.913 1.491 1.00 0.00 H new ATOM 644 N GLU B 592 -10.789 1.734 4.991 1.00 0.00 N ATOM 645 CA GLU B 592 -10.105 2.285 6.145 1.00 0.00 C ATOM 646 C GLU B 592 -9.914 1.255 7.259 1.00 0.00 C ATOM 647 O GLU B 592 -9.041 1.413 8.111 1.00 0.00 O ATOM 648 CB GLU B 592 -10.899 3.482 6.669 1.00 0.00 C ATOM 649 CG GLU B 592 -12.371 3.169 6.905 1.00 0.00 C ATOM 650 CD GLU B 592 -13.166 4.375 7.347 1.00 0.00 C ATOM 651 OE1 GLU B 592 -13.503 5.214 6.490 1.00 0.00 O ATOM 652 OE2 GLU B 592 -13.465 4.483 8.554 1.00 0.00 O1- ATOM 0 H GLU B 592 -11.748 2.065 4.880 1.00 0.00 H new ATOM 0 HA GLU B 592 -9.109 2.596 5.828 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -10.453 3.825 7.603 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -10.818 4.303 5.957 1.00 0.00 H new ATOM 0 HG2 GLU B 592 -12.804 2.771 5.987 1.00 0.00 H new ATOM 0 HG3 GLU B 592 -12.454 2.388 7.661 1.00 0.00 H new ATOM 659 N ASP B 593 -10.711 0.197 7.247 1.00 0.00 N ATOM 660 CA ASP B 593 -10.700 -0.756 8.350 1.00 0.00 C ATOM 661 C ASP B 593 -10.060 -2.080 7.936 1.00 0.00 C ATOM 662 O ASP B 593 -9.972 -3.013 8.730 1.00 0.00 O ATOM 663 CB ASP B 593 -12.117 -0.976 8.876 1.00 0.00 C ATOM 664 CG ASP B 593 -12.139 -1.686 10.215 1.00 0.00 C ATOM 665 OD1 ASP B 593 -11.485 -1.198 11.166 1.00 0.00 O ATOM 666 OD2 ASP B 593 -12.831 -2.721 10.328 1.00 0.00 O1- ATOM 0 H ASP B 593 -11.366 -0.023 6.497 1.00 0.00 H new ATOM 0 HA ASP B 593 -10.093 -0.337 9.153 1.00 0.00 H new ATOM 0 HB2 ASP B 593 -12.619 -0.013 8.972 1.00 0.00 H new ATOM 0 HB3 ASP B 593 -12.683 -1.560 8.150 1.00 0.00 H new ATOM 671 N LEU B 594 -9.644 -2.164 6.682 1.00 0.00 N ATOM 672 CA LEU B 594 -8.798 -3.253 6.225 1.00 0.00 C ATOM 673 C LEU B 594 -7.546 -3.345 7.088 1.00 0.00 C ATOM 674 O LEU B 594 -6.867 -2.342 7.327 1.00 0.00 O ATOM 675 CB LEU B 594 -8.393 -3.026 4.770 1.00 0.00 C ATOM 676 CG LEU B 594 -9.533 -3.047 3.757 1.00 0.00 C ATOM 677 CD1 LEU B 594 -9.116 -2.345 2.490 1.00 0.00 C ATOM 678 CD2 LEU B 594 -9.936 -4.468 3.436 1.00 0.00 C ATOM 0 H LEU B 594 -9.881 -1.485 5.959 1.00 0.00 H new ATOM 0 HA LEU B 594 -9.359 -4.184 6.305 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -7.885 -2.064 4.699 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -7.668 -3.790 4.490 1.00 0.00 H new ATOM 0 HG LEU B 594 -10.386 -2.528 4.195 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -9.938 -2.367 1.775 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -8.858 -1.310 2.715 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -8.250 -2.850 2.063 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -10.750 -4.460 2.712 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -9.083 -5.002 3.017 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -10.265 -4.967 4.347 1.00 0.00 H new ATOM 690 N LYS B 595 -7.260 -4.536 7.575 1.00 0.00 N ATOM 691 CA LYS B 595 -6.064 -4.761 8.374 1.00 0.00 C ATOM 692 C LYS B 595 -5.000 -5.444 7.528 1.00 0.00 C ATOM 693 O LYS B 595 -5.326 -6.063 6.514 1.00 0.00 O ATOM 694 CB LYS B 595 -6.386 -5.616 9.599 1.00 0.00 C ATOM 695 CG LYS B 595 -7.624 -5.153 10.347 1.00 0.00 C ATOM 696 CD LYS B 595 -7.480 -3.734 10.870 1.00 0.00 C ATOM 697 CE LYS B 595 -8.783 -3.249 11.484 1.00 0.00 C ATOM 698 NZ LYS B 595 -8.753 -1.795 11.785 1.00 0.00 N1+ ATOM 0 H LYS B 595 -7.837 -5.365 7.433 1.00 0.00 H new ATOM 0 HA LYS B 595 -5.688 -3.797 8.716 1.00 0.00 H new ATOM 0 HB2 LYS B 595 -6.526 -6.650 9.285 1.00 0.00 H new ATOM 0 HB3 LYS B 595 -5.533 -5.601 10.278 1.00 0.00 H new ATOM 0 HG2 LYS B 595 -8.488 -5.209 9.685 1.00 0.00 H new ATOM 0 HG3 LYS B 595 -7.817 -5.828 11.181 1.00 0.00 H new ATOM 0 HD2 LYS B 595 -6.685 -3.695 11.615 1.00 0.00 H new ATOM 0 HD3 LYS B 595 -7.187 -3.070 10.057 1.00 0.00 H new ATOM 0 HE2 LYS B 595 -9.606 -3.460 10.801 1.00 0.00 H new ATOM 0 HE3 LYS B 595 -8.980 -3.804 12.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 595 -9.688 -1.381 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 595 -8.510 -1.653 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 595 -8.040 -1.331 11.186 1.00 0.00 H new ATOM 712 N THR B 596 -3.739 -5.342 7.925 1.00 0.00 N ATOM 713 CA THR B 596 -2.660 -5.922 7.132 1.00 0.00 C ATOM 714 C THR B 596 -2.852 -7.425 6.975 1.00 0.00 C ATOM 715 O THR B 596 -2.601 -7.981 5.906 1.00 0.00 O ATOM 716 CB THR B 596 -1.270 -5.632 7.736 1.00 0.00 C ATOM 717 OG1 THR B 596 -0.245 -6.181 6.900 1.00 0.00 O ATOM 718 CG2 THR B 596 -1.135 -6.221 9.127 1.00 0.00 C ATOM 0 H THR B 596 -3.439 -4.871 8.778 1.00 0.00 H new ATOM 0 HA THR B 596 -2.702 -5.449 6.151 1.00 0.00 H new ATOM 0 HB THR B 596 -1.162 -4.549 7.801 1.00 0.00 H new ATOM 0 HG1 THR B 596 -0.172 -7.145 7.062 1.00 0.00 H new ATOM 0 HG21 THR B 596 -0.144 -5.998 9.522 1.00 0.00 H new ATOM 0 HG22 THR B 596 -1.892 -5.788 9.781 1.00 0.00 H new ATOM 0 HG23 THR B 596 -1.272 -7.301 9.080 1.00 0.00 H new ATOM 726 N GLU B 597 -3.343 -8.060 8.031 1.00 0.00 N ATOM 727 CA GLU B 597 -3.543 -9.498 8.044 1.00 0.00 C ATOM 728 C GLU B 597 -4.581 -9.914 7.013 1.00 0.00 C ATOM 729 O GLU B 597 -4.527 -11.018 6.482 1.00 0.00 O ATOM 730 CB GLU B 597 -3.962 -9.954 9.431 1.00 0.00 C ATOM 731 CG GLU B 597 -2.945 -9.624 10.507 1.00 0.00 C ATOM 732 CD GLU B 597 -3.392 -10.079 11.874 1.00 0.00 C ATOM 733 OE1 GLU B 597 -4.219 -9.377 12.491 1.00 0.00 O ATOM 734 OE2 GLU B 597 -2.929 -11.144 12.333 1.00 0.00 O1- ATOM 0 H GLU B 597 -3.612 -7.593 8.897 1.00 0.00 H new ATOM 0 HA GLU B 597 -2.599 -9.977 7.784 1.00 0.00 H new ATOM 0 HB2 GLU B 597 -4.914 -9.488 9.686 1.00 0.00 H new ATOM 0 HB3 GLU B 597 -4.128 -11.031 9.416 1.00 0.00 H new ATOM 0 HG2 GLU B 597 -1.994 -10.096 10.262 1.00 0.00 H new ATOM 0 HG3 GLU B 597 -2.772 -8.548 10.523 1.00 0.00 H new ATOM 741 N ASP B 598 -5.517 -9.018 6.728 1.00 0.00 N ATOM 742 CA ASP B 598 -6.561 -9.288 5.750 1.00 0.00 C ATOM 743 C ASP B 598 -5.957 -9.429 4.357 1.00 0.00 C ATOM 744 O ASP B 598 -6.306 -10.338 3.602 1.00 0.00 O ATOM 745 CB ASP B 598 -7.618 -8.179 5.759 1.00 0.00 C ATOM 746 CG ASP B 598 -8.385 -8.108 7.065 1.00 0.00 C ATOM 747 OD1 ASP B 598 -8.803 -9.170 7.576 1.00 0.00 O ATOM 748 OD2 ASP B 598 -8.589 -6.988 7.578 1.00 0.00 O1- ATOM 0 H ASP B 598 -5.574 -8.096 7.162 1.00 0.00 H new ATOM 0 HA ASP B 598 -7.047 -10.225 6.021 1.00 0.00 H new ATOM 0 HB2 ASP B 598 -7.133 -7.220 5.575 1.00 0.00 H new ATOM 0 HB3 ASP B 598 -8.318 -8.344 4.940 1.00 0.00 H new ATOM 753 N PHE B 599 -5.037 -8.531 4.027 1.00 0.00 N ATOM 754 CA PHE B 599 -4.321 -8.608 2.759 1.00 0.00 C ATOM 755 C PHE B 599 -3.337 -9.762 2.779 1.00 0.00 C ATOM 756 O PHE B 599 -3.203 -10.484 1.788 1.00 0.00 O ATOM 757 CB PHE B 599 -3.595 -7.298 2.450 1.00 0.00 C ATOM 758 CG PHE B 599 -4.488 -6.251 1.847 1.00 0.00 C ATOM 759 CD1 PHE B 599 -5.662 -5.871 2.474 1.00 0.00 C ATOM 760 CD2 PHE B 599 -4.161 -5.661 0.638 1.00 0.00 C ATOM 761 CE1 PHE B 599 -6.490 -4.922 1.909 1.00 0.00 C ATOM 762 CE2 PHE B 599 -4.988 -4.712 0.067 1.00 0.00 C ATOM 763 CZ PHE B 599 -6.152 -4.342 0.704 1.00 0.00 C ATOM 0 H PHE B 599 -4.769 -7.743 4.617 1.00 0.00 H new ATOM 0 HA PHE B 599 -5.054 -8.780 1.971 1.00 0.00 H new ATOM 0 HB2 PHE B 599 -3.158 -6.907 3.369 1.00 0.00 H new ATOM 0 HB3 PHE B 599 -2.771 -7.500 1.766 1.00 0.00 H new ATOM 0 HD1 PHE B 599 -5.934 -6.322 3.417 1.00 0.00 H new ATOM 0 HD2 PHE B 599 -3.249 -5.946 0.135 1.00 0.00 H new ATOM 0 HE1 PHE B 599 -7.402 -4.634 2.410 1.00 0.00 H new ATOM 0 HE2 PHE B 599 -4.722 -4.261 -0.878 1.00 0.00 H new ATOM 0 HZ PHE B 599 -6.799 -3.599 0.261 1.00 0.00 H new ATOM 773 N ILE B 600 -2.654 -9.928 3.909 1.00 0.00 N ATOM 774 CA ILE B 600 -1.745 -11.043 4.102 1.00 0.00 C ATOM 775 C ILE B 600 -2.427 -12.361 3.774 1.00 0.00 C ATOM 776 O ILE B 600 -2.005 -13.072 2.868 1.00 0.00 O ATOM 777 CB ILE B 600 -1.237 -11.062 5.555 1.00 0.00 C ATOM 778 CG1 ILE B 600 -0.240 -9.926 5.763 1.00 0.00 C ATOM 779 CG2 ILE B 600 -0.624 -12.406 5.917 1.00 0.00 C ATOM 780 CD1 ILE B 600 0.224 -9.774 7.191 1.00 0.00 C ATOM 0 H ILE B 600 -2.717 -9.297 4.707 1.00 0.00 H new ATOM 0 HA ILE B 600 -0.899 -10.917 3.426 1.00 0.00 H new ATOM 0 HB ILE B 600 -2.087 -10.914 6.221 1.00 0.00 H new ATOM 0 HG12 ILE B 600 0.628 -10.096 5.125 1.00 0.00 H new ATOM 0 HG13 ILE B 600 -0.696 -8.991 5.438 1.00 0.00 H new ATOM 0 HG21 ILE B 600 -0.277 -12.381 6.950 1.00 0.00 H new ATOM 0 HG22 ILE B 600 -1.373 -13.190 5.805 1.00 0.00 H new ATOM 0 HG23 ILE B 600 0.218 -12.612 5.256 1.00 0.00 H new ATOM 0 HD11 ILE B 600 0.930 -8.947 7.258 1.00 0.00 H new ATOM 0 HD12 ILE B 600 -0.634 -9.572 7.833 1.00 0.00 H new ATOM 0 HD13 ILE B 600 0.711 -10.694 7.515 1.00 0.00 H new ATOM 792 N GLN B 601 -3.517 -12.642 4.474 1.00 0.00 N ATOM 793 CA GLN B 601 -4.260 -13.873 4.280 1.00 0.00 C ATOM 794 C GLN B 601 -4.678 -14.039 2.836 1.00 0.00 C ATOM 795 O GLN B 601 -4.478 -15.095 2.252 1.00 0.00 O ATOM 796 CB GLN B 601 -5.481 -13.901 5.190 1.00 0.00 C ATOM 797 CG GLN B 601 -5.131 -14.247 6.620 1.00 0.00 C ATOM 798 CD GLN B 601 -6.316 -14.144 7.558 1.00 0.00 C ATOM 799 OE1 GLN B 601 -6.546 -13.103 8.174 1.00 0.00 O ATOM 800 NE2 GLN B 601 -7.078 -15.218 7.674 1.00 0.00 N ATOM 0 H GLN B 601 -3.907 -12.026 5.187 1.00 0.00 H new ATOM 0 HA GLN B 601 -3.606 -14.706 4.538 1.00 0.00 H new ATOM 0 HB2 GLN B 601 -5.971 -12.928 5.165 1.00 0.00 H new ATOM 0 HB3 GLN B 601 -6.197 -14.629 4.809 1.00 0.00 H new ATOM 0 HG2 GLN B 601 -4.732 -15.261 6.656 1.00 0.00 H new ATOM 0 HG3 GLN B 601 -4.341 -13.581 6.967 1.00 0.00 H new ATOM 0 HE21 GLN B 601 -6.854 -16.062 7.146 1.00 0.00 H new ATOM 0 HE22 GLN B 601 -7.890 -15.203 8.291 1.00 0.00 H new ATOM 809 N SER B 602 -5.223 -12.981 2.260 1.00 0.00 N ATOM 810 CA SER B 602 -5.685 -13.017 0.884 1.00 0.00 C ATOM 811 C SER B 602 -4.593 -13.522 -0.064 1.00 0.00 C ATOM 812 O SER B 602 -4.839 -14.380 -0.915 1.00 0.00 O ATOM 813 CB SER B 602 -6.151 -11.625 0.464 1.00 0.00 C ATOM 814 OG SER B 602 -7.280 -11.221 1.218 1.00 0.00 O ATOM 0 H SER B 602 -5.356 -12.084 2.726 1.00 0.00 H new ATOM 0 HA SER B 602 -6.520 -13.715 0.822 1.00 0.00 H new ATOM 0 HB2 SER B 602 -5.341 -10.909 0.602 1.00 0.00 H new ATOM 0 HB3 SER B 602 -6.399 -11.625 -0.598 1.00 0.00 H new ATOM 0 HG SER B 602 -6.983 -10.791 2.047 1.00 0.00 H new ATOM 820 N ALA B 603 -3.388 -13.004 0.096 1.00 0.00 N ATOM 821 CA ALA B 603 -2.282 -13.379 -0.770 1.00 0.00 C ATOM 822 C ALA B 603 -1.691 -14.733 -0.389 1.00 0.00 C ATOM 823 O ALA B 603 -1.053 -15.394 -1.206 1.00 0.00 O ATOM 824 CB ALA B 603 -1.216 -12.317 -0.726 1.00 0.00 C ATOM 0 H ALA B 603 -3.150 -12.323 0.817 1.00 0.00 H new ATOM 0 HA ALA B 603 -2.670 -13.467 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA B 603 -0.390 -12.604 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA B 603 -1.633 -11.369 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA B 603 -0.852 -12.209 0.296 1.00 0.00 H new ATOM 830 N GLU B 604 -1.888 -15.138 0.854 1.00 0.00 N ATOM 831 CA GLU B 604 -1.389 -16.425 1.321 1.00 0.00 C ATOM 832 C GLU B 604 -2.273 -17.543 0.804 1.00 0.00 C ATOM 833 O GLU B 604 -1.804 -18.629 0.465 1.00 0.00 O ATOM 834 CB GLU B 604 -1.343 -16.455 2.839 1.00 0.00 C ATOM 835 CG GLU B 604 -0.383 -15.444 3.422 1.00 0.00 C ATOM 836 CD GLU B 604 -0.200 -15.629 4.911 1.00 0.00 C ATOM 837 OE1 GLU B 604 -1.216 -15.754 5.630 1.00 0.00 O ATOM 838 OE2 GLU B 604 0.960 -15.656 5.371 1.00 0.00 O1- ATOM 0 H GLU B 604 -2.389 -14.597 1.559 1.00 0.00 H new ATOM 0 HA GLU B 604 -0.378 -16.567 0.939 1.00 0.00 H new ATOM 0 HB2 GLU B 604 -2.342 -16.266 3.231 1.00 0.00 H new ATOM 0 HB3 GLU B 604 -1.055 -17.453 3.168 1.00 0.00 H new ATOM 0 HG2 GLU B 604 0.583 -15.532 2.924 1.00 0.00 H new ATOM 0 HG3 GLU B 604 -0.752 -14.438 3.225 1.00 0.00 H new ATOM 845 N ILE B 605 -3.560 -17.251 0.758 1.00 0.00 N ATOM 846 CA ILE B 605 -4.543 -18.120 0.140 1.00 0.00 C ATOM 847 C ILE B 605 -4.251 -18.218 -1.361 1.00 0.00 C ATOM 848 O ILE B 605 -4.624 -19.184 -2.026 1.00 0.00 O ATOM 849 CB ILE B 605 -5.958 -17.569 0.423 1.00 0.00 C ATOM 850 CG1 ILE B 605 -6.140 -17.461 1.941 1.00 0.00 C ATOM 851 CG2 ILE B 605 -7.035 -18.449 -0.193 1.00 0.00 C ATOM 852 CD1 ILE B 605 -7.341 -16.652 2.381 1.00 0.00 C ATOM 0 H ILE B 605 -3.955 -16.397 1.152 1.00 0.00 H new ATOM 0 HA ILE B 605 -4.489 -19.125 0.557 1.00 0.00 H new ATOM 0 HB ILE B 605 -6.060 -16.585 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE B 605 -6.225 -18.466 2.355 1.00 0.00 H new ATOM 0 HG13 ILE B 605 -5.242 -17.015 2.369 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -8.017 -18.030 0.027 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -6.894 -18.495 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE B 605 -6.967 -19.453 0.225 1.00 0.00 H new ATOM 0 HD11 ILE B 605 -7.387 -16.632 3.470 1.00 0.00 H new ATOM 0 HD12 ILE B 605 -7.252 -15.634 2.003 1.00 0.00 H new ATOM 0 HD13 ILE B 605 -8.250 -17.107 1.988 1.00 0.00 H new ATOM 901 N LEU B 609 -2.136 -14.237 -6.461 1.00 0.00 N ATOM 902 CA LEU B 609 -1.892 -13.027 -5.685 1.00 0.00 C ATOM 903 C LEU B 609 -0.937 -13.336 -4.530 1.00 0.00 C ATOM 904 O LEU B 609 -1.159 -14.294 -3.793 1.00 0.00 O ATOM 905 CB LEU B 609 -3.229 -12.506 -5.140 1.00 0.00 C ATOM 906 CG LEU B 609 -4.302 -12.237 -6.204 1.00 0.00 C ATOM 907 CD1 LEU B 609 -5.694 -12.245 -5.597 1.00 0.00 C ATOM 908 CD2 LEU B 609 -4.043 -10.912 -6.895 1.00 0.00 C ATOM 0 HA LEU B 609 -1.437 -12.266 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU B 609 -3.620 -13.231 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU B 609 -3.045 -11.583 -4.590 1.00 0.00 H new ATOM 0 HG LEU B 609 -4.248 -13.038 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU B 609 -6.432 -12.052 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU B 609 -5.889 -13.218 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU B 609 -5.762 -11.471 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU B 609 -4.813 -10.737 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU B 609 -4.064 -10.108 -6.159 1.00 0.00 H new ATOM 0 HD23 LEU B 609 -3.065 -10.938 -7.376 1.00 0.00 H new ATOM 920 N LYS B 610 0.124 -12.538 -4.382 1.00 0.00 N ATOM 921 CA LYS B 610 1.133 -12.784 -3.344 1.00 0.00 C ATOM 922 C LYS B 610 1.603 -11.485 -2.681 1.00 0.00 C ATOM 923 O LYS B 610 1.685 -10.443 -3.331 1.00 0.00 O ATOM 924 CB LYS B 610 2.339 -13.514 -3.942 1.00 0.00 C ATOM 925 CG LYS B 610 2.040 -14.942 -4.371 1.00 0.00 C ATOM 926 CD LYS B 610 3.261 -15.623 -4.970 1.00 0.00 C ATOM 927 CE LYS B 610 3.695 -14.963 -6.271 1.00 0.00 C ATOM 928 NZ LYS B 610 4.793 -15.715 -6.933 1.00 0.00 N1+ ATOM 0 H LYS B 610 0.308 -11.720 -4.963 1.00 0.00 H new ATOM 0 HA LYS B 610 0.665 -13.404 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS B 610 2.701 -12.953 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS B 610 3.145 -13.526 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS B 610 1.691 -15.514 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS B 610 1.231 -14.940 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS B 610 4.083 -15.591 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS B 610 3.038 -16.674 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS B 610 2.842 -14.896 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS B 610 4.023 -13.943 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 610 5.060 -15.234 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 610 5.616 -15.758 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 610 4.472 -16.680 -7.149 1.00 0.00 H new ATOM 942 N ILE B 611 1.900 -11.564 -1.382 1.00 0.00 N ATOM 943 CA ILE B 611 2.453 -10.436 -0.628 1.00 0.00 C ATOM 944 C ILE B 611 3.966 -10.384 -0.817 1.00 0.00 C ATOM 945 O ILE B 611 4.607 -11.409 -1.055 1.00 0.00 O ATOM 946 CB ILE B 611 2.151 -10.560 0.895 1.00 0.00 C ATOM 947 CG1 ILE B 611 0.638 -10.558 1.168 1.00 0.00 C ATOM 948 CG2 ILE B 611 2.835 -9.456 1.687 1.00 0.00 C ATOM 949 CD1 ILE B 611 0.058 -9.234 1.637 1.00 0.00 C ATOM 0 H ILE B 611 1.765 -12.408 -0.825 1.00 0.00 H new ATOM 0 HA ILE B 611 1.985 -9.527 -1.006 1.00 0.00 H new ATOM 0 HB ILE B 611 2.555 -11.517 1.227 1.00 0.00 H new ATOM 0 HG12 ILE B 611 0.122 -10.858 0.256 1.00 0.00 H new ATOM 0 HG13 ILE B 611 0.422 -11.316 1.921 1.00 0.00 H new ATOM 0 HG21 ILE B 611 2.604 -9.571 2.746 1.00 0.00 H new ATOM 0 HG22 ILE B 611 3.913 -9.519 1.542 1.00 0.00 H new ATOM 0 HG23 ILE B 611 2.478 -8.486 1.341 1.00 0.00 H new ATOM 0 HD11 ILE B 611 -1.014 -9.344 1.800 1.00 0.00 H new ATOM 0 HD12 ILE B 611 0.538 -8.936 2.569 1.00 0.00 H new ATOM 0 HD13 ILE B 611 0.234 -8.471 0.879 1.00 0.00 H new ATOM 961 N ASP B 612 4.527 -9.193 -0.710 1.00 0.00 N ATOM 962 CA ASP B 612 5.972 -9.017 -0.750 1.00 0.00 C ATOM 963 C ASP B 612 6.427 -8.332 0.525 1.00 0.00 C ATOM 964 O ASP B 612 5.689 -7.530 1.102 1.00 0.00 O ATOM 965 CB ASP B 612 6.398 -8.190 -1.966 1.00 0.00 C ATOM 966 CG ASP B 612 7.899 -8.196 -2.181 1.00 0.00 C ATOM 967 OD1 ASP B 612 8.409 -9.152 -2.806 1.00 0.00 O1- ATOM 968 OD2 ASP B 612 8.577 -7.256 -1.722 1.00 0.00 O ATOM 0 H ASP B 612 4.002 -8.326 -0.594 1.00 0.00 H new ATOM 0 HA ASP B 612 6.439 -9.998 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP B 612 5.906 -8.581 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP B 612 6.057 -7.162 -1.839 1.00 0.00 H new ATOM 973 N SER B 613 7.627 -8.650 0.968 1.00 0.00 N ATOM 974 CA SER B 613 8.149 -8.088 2.200 1.00 0.00 C ATOM 975 C SER B 613 9.416 -7.269 1.942 1.00 0.00 C ATOM 976 O SER B 613 10.520 -7.808 1.815 1.00 0.00 O ATOM 977 CB SER B 613 8.399 -9.198 3.228 1.00 0.00 C ATOM 978 OG SER B 613 9.113 -10.285 2.660 1.00 0.00 O ATOM 0 H SER B 613 8.260 -9.294 0.494 1.00 0.00 H new ATOM 0 HA SER B 613 7.403 -7.407 2.610 1.00 0.00 H new ATOM 0 HB2 SER B 613 8.960 -8.794 4.071 1.00 0.00 H new ATOM 0 HB3 SER B 613 7.446 -9.553 3.620 1.00 0.00 H new ATOM 0 HG SER B 613 9.881 -9.944 2.156 1.00 0.00 H new ATOM 984 N SER B 614 9.243 -5.958 1.877 1.00 0.00 N ATOM 985 CA SER B 614 10.347 -5.050 1.606 1.00 0.00 C ATOM 986 C SER B 614 10.390 -3.941 2.658 1.00 0.00 C ATOM 987 O SER B 614 9.475 -3.127 2.744 1.00 0.00 O ATOM 988 CB SER B 614 10.195 -4.472 0.199 1.00 0.00 C ATOM 989 OG SER B 614 10.320 -5.492 -0.777 1.00 0.00 O ATOM 0 H SER B 614 8.343 -5.497 2.009 1.00 0.00 H new ATOM 0 HA SER B 614 11.290 -5.594 1.658 1.00 0.00 H new ATOM 0 HB2 SER B 614 9.224 -3.987 0.103 1.00 0.00 H new ATOM 0 HB3 SER B 614 10.952 -3.706 0.031 1.00 0.00 H new ATOM 0 HG SER B 614 9.448 -5.916 -0.921 1.00 0.00 H new ATOM 995 N THR B 615 11.443 -3.932 3.473 1.00 0.00 N ATOM 996 CA THR B 615 11.561 -2.970 4.568 1.00 0.00 C ATOM 997 C THR B 615 12.259 -1.693 4.127 1.00 0.00 C ATOM 998 O THR B 615 13.420 -1.719 3.732 1.00 0.00 O ATOM 999 CB THR B 615 12.330 -3.568 5.765 1.00 0.00 C ATOM 1000 OG1 THR B 615 11.617 -4.699 6.283 1.00 0.00 O ATOM 1001 CG2 THR B 615 12.535 -2.526 6.868 1.00 0.00 C ATOM 0 H THR B 615 12.227 -4.580 3.396 1.00 0.00 H new ATOM 0 HA THR B 615 10.542 -2.731 4.874 1.00 0.00 H new ATOM 0 HB THR B 615 13.312 -3.886 5.416 1.00 0.00 H new ATOM 0 HG1 THR B 615 12.109 -5.077 7.042 1.00 0.00 H new ATOM 0 HG21 THR B 615 13.079 -2.977 7.698 1.00 0.00 H new ATOM 0 HG22 THR B 615 13.106 -1.686 6.473 1.00 0.00 H new ATOM 0 HG23 THR B 615 11.566 -2.173 7.219 1.00 0.00 H new ATOM 1009 N VAL B 616 11.546 -0.582 4.197 1.00 0.00 N ATOM 1010 CA VAL B 616 12.126 0.713 3.910 1.00 0.00 C ATOM 1011 C VAL B 616 13.251 1.033 4.886 1.00 0.00 C ATOM 1012 O VAL B 616 13.056 1.047 6.103 1.00 0.00 O ATOM 1013 CB VAL B 616 11.058 1.824 3.950 1.00 0.00 C ATOM 1014 CG1 VAL B 616 10.128 1.637 5.124 1.00 0.00 C ATOM 1015 CG2 VAL B 616 11.702 3.197 4.015 1.00 0.00 C ATOM 0 H VAL B 616 10.559 -0.554 4.452 1.00 0.00 H new ATOM 0 HA VAL B 616 12.540 0.671 2.902 1.00 0.00 H new ATOM 0 HB VAL B 616 10.478 1.755 3.030 1.00 0.00 H new ATOM 0 HG11 VAL B 616 9.384 2.434 5.129 1.00 0.00 H new ATOM 0 HG12 VAL B 616 9.626 0.673 5.041 1.00 0.00 H new ATOM 0 HG13 VAL B 616 10.701 1.669 6.051 1.00 0.00 H new ATOM 0 HG21 VAL B 616 10.926 3.962 4.042 1.00 0.00 H new ATOM 0 HG22 VAL B 616 12.315 3.269 4.914 1.00 0.00 H new ATOM 0 HG23 VAL B 616 12.329 3.347 3.136 1.00 0.00 H new ATOM 1025 N GLU B 617 14.432 1.262 4.340 1.00 0.00 N ATOM 1026 CA GLU B 617 15.590 1.622 5.134 1.00 0.00 C ATOM 1027 C GLU B 617 15.846 3.118 5.053 1.00 0.00 C ATOM 1028 O GLU B 617 16.527 3.688 5.910 1.00 0.00 O ATOM 1029 CB GLU B 617 16.825 0.850 4.681 1.00 0.00 C ATOM 1030 CG GLU B 617 16.673 -0.653 4.798 1.00 0.00 C ATOM 1031 CD GLU B 617 18.006 -1.361 4.903 1.00 0.00 C ATOM 1032 OE1 GLU B 617 18.634 -1.619 3.858 1.00 0.00 O ATOM 1033 OE2 GLU B 617 18.440 -1.659 6.036 1.00 0.00 O1- ATOM 0 H GLU B 617 14.614 1.204 3.338 1.00 0.00 H new ATOM 0 HA GLU B 617 15.383 1.357 6.171 1.00 0.00 H new ATOM 0 HB2 GLU B 617 17.044 1.106 3.644 1.00 0.00 H new ATOM 0 HB3 GLU B 617 17.681 1.168 5.275 1.00 0.00 H new ATOM 0 HG2 GLU B 617 16.070 -0.887 5.675 1.00 0.00 H new ATOM 0 HG3 GLU B 617 16.132 -1.029 3.930 1.00 0.00 H new ATOM 1040 N ARG B 618 15.300 3.757 4.024 1.00 0.00 N ATOM 1041 CA ARG B 618 15.530 5.177 3.814 1.00 0.00 C ATOM 1042 C ARG B 618 14.393 5.801 3.012 1.00 0.00 C ATOM 1043 O ARG B 618 13.769 5.140 2.184 1.00 0.00 O ATOM 1044 CB ARG B 618 16.871 5.376 3.105 1.00 0.00 C ATOM 1045 CG ARG B 618 17.236 6.831 2.846 1.00 0.00 C ATOM 1046 CD ARG B 618 18.572 6.948 2.129 1.00 0.00 C ATOM 1047 NE ARG B 618 19.667 6.377 2.915 1.00 0.00 N ATOM 1048 CZ ARG B 618 20.765 5.837 2.388 1.00 0.00 C ATOM 1049 NH1 ARG B 618 20.938 5.813 1.071 1.00 0.00 N1+ ATOM 1050 NH2 ARG B 618 21.700 5.330 3.180 1.00 0.00 N ATOM 0 H ARG B 618 14.699 3.316 3.328 1.00 0.00 H new ATOM 0 HA ARG B 618 15.561 5.678 4.782 1.00 0.00 H new ATOM 0 HB2 ARG B 618 17.657 4.918 3.706 1.00 0.00 H new ATOM 0 HB3 ARG B 618 16.847 4.845 2.153 1.00 0.00 H new ATOM 0 HG2 ARG B 618 16.457 7.302 2.247 1.00 0.00 H new ATOM 0 HG3 ARG B 618 17.280 7.371 3.792 1.00 0.00 H new ATOM 0 HD2 ARG B 618 18.513 6.440 1.167 1.00 0.00 H new ATOM 0 HD3 ARG B 618 18.782 7.997 1.923 1.00 0.00 H new ATOM 0 HE ARG B 618 19.584 6.394 3.931 1.00 0.00 H new ATOM 0 HH11 ARG B 618 20.228 6.210 0.456 1.00 0.00 H new ATOM 0 HH12 ARG B 618 21.781 5.398 0.675 1.00 0.00 H new ATOM 0 HH21 ARG B 618 21.578 5.353 4.192 1.00 0.00 H new ATOM 0 HH22 ARG B 618 22.541 4.917 2.777 1.00 0.00 H new ATOM 1064 N ILE B 619 14.131 7.073 3.271 1.00 0.00 N ATOM 1065 CA ILE B 619 13.074 7.815 2.602 1.00 0.00 C ATOM 1066 C ILE B 619 13.586 9.194 2.232 1.00 0.00 C ATOM 1067 O ILE B 619 14.158 9.897 3.068 1.00 0.00 O ATOM 1068 CB ILE B 619 11.820 7.950 3.497 1.00 0.00 C ATOM 1069 CG1 ILE B 619 11.132 6.597 3.638 1.00 0.00 C ATOM 1070 CG2 ILE B 619 10.852 8.984 2.929 1.00 0.00 C ATOM 1071 CD1 ILE B 619 9.977 6.602 4.615 1.00 0.00 C ATOM 0 H ILE B 619 14.649 7.623 3.956 1.00 0.00 H new ATOM 0 HA ILE B 619 12.788 7.266 1.705 1.00 0.00 H new ATOM 0 HB ILE B 619 12.136 8.291 4.483 1.00 0.00 H new ATOM 0 HG12 ILE B 619 10.768 6.280 2.660 1.00 0.00 H new ATOM 0 HG13 ILE B 619 11.866 5.858 3.960 1.00 0.00 H new ATOM 0 HG21 ILE B 619 9.979 9.060 3.577 1.00 0.00 H new ATOM 0 HG22 ILE B 619 11.347 9.953 2.873 1.00 0.00 H new ATOM 0 HG23 ILE B 619 10.538 8.679 1.931 1.00 0.00 H new ATOM 0 HD11 ILE B 619 9.537 5.606 4.663 1.00 0.00 H new ATOM 0 HD12 ILE B 619 10.338 6.887 5.603 1.00 0.00 H new ATOM 0 HD13 ILE B 619 9.223 7.316 4.284 1.00 0.00 H new ATOM 1083 N GLU B 620 13.409 9.571 0.980 1.00 0.00 N ATOM 1084 CA GLU B 620 13.936 10.836 0.496 1.00 0.00 C ATOM 1085 C GLU B 620 12.900 11.578 -0.332 1.00 0.00 C ATOM 1086 O GLU B 620 12.185 10.975 -1.131 1.00 0.00 O ATOM 1087 CB GLU B 620 15.179 10.591 -0.358 1.00 0.00 C ATOM 1088 CG GLU B 620 16.189 9.658 0.284 1.00 0.00 C ATOM 1089 CD GLU B 620 17.392 9.420 -0.600 1.00 0.00 C ATOM 1090 OE1 GLU B 620 17.350 8.499 -1.440 1.00 0.00 O ATOM 1091 OE2 GLU B 620 18.389 10.156 -0.459 1.00 0.00 O1- ATOM 0 H GLU B 620 12.907 9.023 0.281 1.00 0.00 H new ATOM 0 HA GLU B 620 14.195 11.445 1.362 1.00 0.00 H new ATOM 0 HB2 GLU B 620 14.873 10.175 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU B 620 15.661 11.547 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU B 620 16.517 10.079 1.234 1.00 0.00 H new ATOM 0 HG3 GLU B 620 15.710 8.705 0.506 1.00 0.00 H new ATOM 1098 N ASP B 621 12.815 12.884 -0.136 1.00 0.00 N ATOM 1099 CA ASP B 621 11.978 13.720 -0.983 1.00 0.00 C ATOM 1100 C ASP B 621 12.685 13.949 -2.306 1.00 0.00 C ATOM 1101 O ASP B 621 13.882 14.239 -2.335 1.00 0.00 O ATOM 1102 CB ASP B 621 11.665 15.059 -0.311 1.00 0.00 C ATOM 1103 CG ASP B 621 10.625 14.933 0.782 1.00 0.00 C ATOM 1104 OD1 ASP B 621 10.991 14.596 1.926 1.00 0.00 O1- ATOM 1105 OD2 ASP B 621 9.432 15.168 0.500 1.00 0.00 O ATOM 0 H ASP B 621 13.313 13.387 0.599 1.00 0.00 H new ATOM 0 HA ASP B 621 11.030 13.209 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP B 621 12.581 15.473 0.110 1.00 0.00 H new ATOM 0 HB3 ASP B 621 11.313 15.765 -1.063 1.00 0.00 H new ATOM 1110 N SER B 622 11.956 13.810 -3.398 1.00 0.00 N ATOM 1111 CA SER B 622 12.567 13.865 -4.713 1.00 0.00 C ATOM 1112 C SER B 622 12.419 15.254 -5.328 1.00 0.00 C ATOM 1113 O SER B 622 12.587 15.420 -6.534 1.00 0.00 O ATOM 1114 CB SER B 622 11.947 12.805 -5.629 1.00 0.00 C ATOM 1115 OG SER B 622 12.743 12.594 -6.785 1.00 0.00 O ATOM 0 H SER B 622 10.947 13.659 -3.401 1.00 0.00 H new ATOM 0 HA SER B 622 13.631 13.657 -4.604 1.00 0.00 H new ATOM 0 HB2 SER B 622 11.839 11.868 -5.083 1.00 0.00 H new ATOM 0 HB3 SER B 622 10.946 13.118 -5.926 1.00 0.00 H new ATOM 0 HG SER B 622 12.401 11.822 -7.281 1.00 0.00 H new ATOM 1121 N HIS B 623 12.103 16.247 -4.491 1.00 0.00 N ATOM 1122 CA HIS B 623 11.936 17.646 -4.926 1.00 0.00 C ATOM 1123 C HIS B 623 10.656 17.828 -5.745 1.00 0.00 C ATOM 1124 O HIS B 623 9.942 18.815 -5.581 1.00 0.00 O ATOM 1125 CB HIS B 623 13.154 18.139 -5.726 1.00 0.00 C ATOM 1126 CG HIS B 623 14.441 18.133 -4.954 1.00 0.00 C ATOM 1127 ND1 HIS B 623 15.100 19.282 -4.575 1.00 0.00 N ATOM 1128 CD2 HIS B 623 15.197 17.104 -4.498 1.00 0.00 C ATOM 1129 CE1 HIS B 623 16.201 18.962 -3.922 1.00 0.00 C ATOM 1130 NE2 HIS B 623 16.282 17.650 -3.864 1.00 0.00 N ATOM 0 H HIS B 623 11.955 16.108 -3.491 1.00 0.00 H new ATOM 0 HA HIS B 623 11.854 18.251 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS B 623 13.271 17.513 -6.611 1.00 0.00 H new ATOM 0 HB3 HIS B 623 12.958 19.152 -6.076 1.00 0.00 H new ATOM 0 HD2 HIS B 623 14.984 16.051 -4.613 1.00 0.00 H new ATOM 0 HE1 HIS B 623 16.914 19.658 -3.506 1.00 0.00 H new ATOM 0 HE2 HIS B 623 17.033 17.123 -3.418 1.00 0.00 H new ATOM 1139 N SER B 624 10.387 16.875 -6.622 1.00 0.00 N ATOM 1140 CA SER B 624 9.174 16.855 -7.425 1.00 0.00 C ATOM 1141 C SER B 624 7.923 16.899 -6.541 1.00 0.00 C ATOM 1142 O SER B 624 7.922 16.377 -5.420 1.00 0.00 O ATOM 1143 CB SER B 624 9.182 15.597 -8.294 1.00 0.00 C ATOM 1144 OG SER B 624 10.300 15.593 -9.171 1.00 0.00 O ATOM 0 H SER B 624 11.009 16.086 -6.799 1.00 0.00 H new ATOM 0 HA SER B 624 9.148 17.740 -8.061 1.00 0.00 H new ATOM 0 HB2 SER B 624 9.210 14.712 -7.659 1.00 0.00 H new ATOM 0 HB3 SER B 624 8.260 15.545 -8.873 1.00 0.00 H new ATOM 0 HG SER B 624 10.286 14.778 -9.716 1.00 0.00 H new ATOM 1150 N PRO B 625 6.853 17.549 -7.041 1.00 0.00 N ATOM 1151 CA PRO B 625 5.593 17.734 -6.307 1.00 0.00 C ATOM 1152 C PRO B 625 5.052 16.458 -5.691 1.00 0.00 C ATOM 1153 O PRO B 625 4.606 15.545 -6.392 1.00 0.00 O ATOM 1154 CB PRO B 625 4.627 18.238 -7.368 1.00 0.00 C ATOM 1155 CG PRO B 625 5.484 18.896 -8.391 1.00 0.00 C ATOM 1156 CD PRO B 625 6.801 18.170 -8.378 1.00 0.00 C ATOM 0 HA PRO B 625 5.736 18.411 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO B 625 4.055 17.418 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO B 625 3.908 18.940 -6.945 1.00 0.00 H new ATOM 0 HG2 PRO B 625 5.022 18.843 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO B 625 5.621 19.952 -8.160 1.00 0.00 H new ATOM 0 HD2 PRO B 625 6.852 17.421 -9.168 1.00 0.00 H new ATOM 0 HD3 PRO B 625 7.635 18.854 -8.533 1.00 0.00 H new ATOM 1164 N GLY B 626 5.083 16.426 -4.371 1.00 0.00 N ATOM 1165 CA GLY B 626 4.564 15.304 -3.623 1.00 0.00 C ATOM 1166 C GLY B 626 5.269 14.004 -3.937 1.00 0.00 C ATOM 1167 O GLY B 626 4.655 12.948 -3.881 1.00 0.00 O ATOM 0 H GLY B 626 5.467 17.174 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY B 626 4.656 15.512 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY B 626 3.501 15.194 -3.836 1.00 0.00 H new ATOM 1171 N VAL B 627 6.550 14.068 -4.269 1.00 0.00 N ATOM 1172 CA VAL B 627 7.288 12.862 -4.608 1.00 0.00 C ATOM 1173 C VAL B 627 8.312 12.523 -3.544 1.00 0.00 C ATOM 1174 O VAL B 627 9.156 13.347 -3.183 1.00 0.00 O ATOM 1175 CB VAL B 627 8.002 12.978 -5.968 1.00 0.00 C ATOM 1176 CG1 VAL B 627 8.646 11.653 -6.349 1.00 0.00 C ATOM 1177 CG2 VAL B 627 7.022 13.419 -7.031 1.00 0.00 C ATOM 0 H VAL B 627 7.093 14.930 -4.311 1.00 0.00 H new ATOM 0 HA VAL B 627 6.548 12.064 -4.670 1.00 0.00 H new ATOM 0 HB VAL B 627 8.790 13.727 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL B 627 9.145 11.755 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL B 627 9.376 11.372 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL B 627 7.879 10.882 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL B 627 7.536 13.498 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL B 627 6.217 12.688 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL B 627 6.605 14.389 -6.761 1.00 0.00 H new ATOM 1187 N ALA B 628 8.226 11.307 -3.043 1.00 0.00 N ATOM 1188 CA ALA B 628 9.187 10.797 -2.093 1.00 0.00 C ATOM 1189 C ALA B 628 9.540 9.368 -2.448 1.00 0.00 C ATOM 1190 O ALA B 628 8.663 8.534 -2.671 1.00 0.00 O ATOM 1191 CB ALA B 628 8.647 10.876 -0.676 1.00 0.00 C ATOM 0 H ALA B 628 7.487 10.647 -3.285 1.00 0.00 H new ATOM 0 HA ALA B 628 10.086 11.412 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA B 628 9.390 10.486 0.019 1.00 0.00 H new ATOM 0 HB2 ALA B 628 8.428 11.914 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA B 628 7.734 10.285 -0.601 1.00 0.00 H new ATOM 1197 N VAL B 629 10.821 9.094 -2.515 1.00 0.00 N ATOM 1198 CA VAL B 629 11.287 7.771 -2.857 1.00 0.00 C ATOM 1199 C VAL B 629 11.518 6.957 -1.605 1.00 0.00 C ATOM 1200 O VAL B 629 12.311 7.327 -0.735 1.00 0.00 O ATOM 1201 CB VAL B 629 12.563 7.805 -3.732 1.00 0.00 C ATOM 1202 CG1 VAL B 629 13.454 8.961 -3.328 1.00 0.00 C ATOM 1203 CG2 VAL B 629 13.330 6.488 -3.650 1.00 0.00 C ATOM 0 H VAL B 629 11.562 9.772 -2.337 1.00 0.00 H new ATOM 0 HA VAL B 629 10.508 7.295 -3.452 1.00 0.00 H new ATOM 0 HB VAL B 629 12.252 7.947 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL B 629 14.346 8.969 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL B 629 12.913 9.899 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL B 629 13.745 8.849 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL B 629 14.220 6.546 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL B 629 13.624 6.302 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL B 629 12.694 5.674 -3.998 1.00 0.00 H new ATOM 1213 N ILE B 630 10.780 5.872 -1.501 1.00 0.00 N ATOM 1214 CA ILE B 630 10.946 4.957 -0.404 1.00 0.00 C ATOM 1215 C ILE B 630 11.965 3.891 -0.788 1.00 0.00 C ATOM 1216 O ILE B 630 11.713 3.073 -1.671 1.00 0.00 O ATOM 1217 CB ILE B 630 9.621 4.279 -0.030 1.00 0.00 C ATOM 1218 CG1 ILE B 630 8.451 5.256 -0.132 1.00 0.00 C ATOM 1219 CG2 ILE B 630 9.716 3.736 1.379 1.00 0.00 C ATOM 1220 CD1 ILE B 630 8.491 6.356 0.896 1.00 0.00 C ATOM 0 H ILE B 630 10.057 5.606 -2.169 1.00 0.00 H new ATOM 0 HA ILE B 630 11.294 5.523 0.460 1.00 0.00 H new ATOM 0 HB ILE B 630 9.440 3.464 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE B 630 8.446 5.701 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE B 630 7.517 4.704 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE B 630 8.776 3.254 1.647 1.00 0.00 H new ATOM 0 HG22 ILE B 630 10.526 3.009 1.435 1.00 0.00 H new ATOM 0 HG23 ILE B 630 9.915 4.554 2.072 1.00 0.00 H new ATOM 0 HD11 ILE B 630 7.630 7.010 0.762 1.00 0.00 H new ATOM 0 HD12 ILE B 630 8.465 5.921 1.895 1.00 0.00 H new ATOM 0 HD13 ILE B 630 9.408 6.933 0.775 1.00 0.00 H new ATOM 1232 N GLN B 631 13.125 3.922 -0.155 1.00 0.00 N ATOM 1233 CA GLN B 631 14.172 2.959 -0.450 1.00 0.00 C ATOM 1234 C GLN B 631 13.998 1.719 0.414 1.00 0.00 C ATOM 1235 O GLN B 631 14.196 1.764 1.632 1.00 0.00 O ATOM 1236 CB GLN B 631 15.554 3.580 -0.233 1.00 0.00 C ATOM 1237 CG GLN B 631 16.697 2.603 -0.458 1.00 0.00 C ATOM 1238 CD GLN B 631 18.054 3.277 -0.460 1.00 0.00 C ATOM 1239 OE1 GLN B 631 18.679 3.358 0.704 1.00 0.00 O flip ATOM 1240 NE2 GLN B 631 18.543 3.712 -1.503 1.00 0.00 N flip ATOM 0 H GLN B 631 13.366 4.603 0.566 1.00 0.00 H new ATOM 0 HA GLN B 631 14.094 2.668 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN B 631 15.673 4.428 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN B 631 15.614 3.970 0.783 1.00 0.00 H new ATOM 0 HG2 GLN B 631 16.676 1.841 0.321 1.00 0.00 H new ATOM 0 HG3 GLN B 631 16.549 2.091 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN B 631 18.029 3.630 -2.380 1.00 0.00 H new ATOM 0 HE22 GLN B 631 19.462 4.154 -1.490 1.00 0.00 H new ATOM 1249 N PHE B 632 13.623 0.620 -0.223 1.00 0.00 N ATOM 1250 CA PHE B 632 13.328 -0.619 0.483 1.00 0.00 C ATOM 1251 C PHE B 632 14.449 -1.628 0.343 1.00 0.00 C ATOM 1252 O PHE B 632 15.051 -1.754 -0.714 1.00 0.00 O ATOM 1253 CB PHE B 632 12.059 -1.267 -0.061 1.00 0.00 C ATOM 1254 CG PHE B 632 10.803 -0.465 0.105 1.00 0.00 C ATOM 1255 CD1 PHE B 632 10.069 -0.546 1.273 1.00 0.00 C ATOM 1256 CD2 PHE B 632 10.337 0.340 -0.920 1.00 0.00 C ATOM 1257 CE1 PHE B 632 8.897 0.163 1.420 1.00 0.00 C ATOM 1258 CE2 PHE B 632 9.161 1.047 -0.781 1.00 0.00 C ATOM 1259 CZ PHE B 632 8.439 0.958 0.391 1.00 0.00 C ATOM 0 H PHE B 632 13.515 0.561 -1.236 1.00 0.00 H new ATOM 0 HA PHE B 632 13.204 -0.349 1.532 1.00 0.00 H new ATOM 0 HB2 PHE B 632 12.202 -1.470 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE B 632 11.923 -2.229 0.433 1.00 0.00 H new ATOM 0 HD1 PHE B 632 10.418 -1.173 2.080 1.00 0.00 H new ATOM 0 HD2 PHE B 632 10.900 0.415 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE B 632 8.337 0.096 2.341 1.00 0.00 H new ATOM 0 HE2 PHE B 632 8.806 1.670 -1.589 1.00 0.00 H new ATOM 0 HZ PHE B 632 7.517 1.510 0.502 1.00 0.00 H new ATOM 1269 N ALA B 633 14.707 -2.348 1.417 1.00 0.00 N ATOM 1270 CA ALA B 633 15.567 -3.510 1.380 1.00 0.00 C ATOM 1271 C ALA B 633 14.712 -4.749 1.157 1.00 0.00 C ATOM 1272 O ALA B 633 14.069 -5.249 2.082 1.00 0.00 O ATOM 1273 CB ALA B 633 16.360 -3.628 2.668 1.00 0.00 C ATOM 0 H ALA B 633 14.325 -2.142 2.340 1.00 0.00 H new ATOM 0 HA ALA B 633 16.280 -3.411 0.561 1.00 0.00 H new ATOM 0 HB1 ALA B 633 17.001 -4.508 2.621 1.00 0.00 H new ATOM 0 HB2 ALA B 633 16.975 -2.738 2.800 1.00 0.00 H new ATOM 0 HB3 ALA B 633 15.674 -3.723 3.510 1.00 0.00 H new ATOM 1279 N VAL B 634 14.683 -5.214 -0.077 1.00 0.00 N ATOM 1280 CA VAL B 634 13.818 -6.316 -0.465 1.00 0.00 C ATOM 1281 C VAL B 634 14.339 -7.651 0.051 1.00 0.00 C ATOM 1282 O VAL B 634 15.473 -8.049 -0.239 1.00 0.00 O ATOM 1283 CB VAL B 634 13.659 -6.371 -1.999 1.00 0.00 C ATOM 1284 CG1 VAL B 634 12.854 -7.589 -2.426 1.00 0.00 C ATOM 1285 CG2 VAL B 634 13.003 -5.093 -2.493 1.00 0.00 C ATOM 0 H VAL B 634 15.254 -4.843 -0.836 1.00 0.00 H new ATOM 0 HA VAL B 634 12.843 -6.136 -0.011 1.00 0.00 H new ATOM 0 HB VAL B 634 14.649 -6.459 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL B 634 12.759 -7.600 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL B 634 13.363 -8.495 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL B 634 11.862 -7.546 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL B 634 12.893 -5.136 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL B 634 12.021 -4.986 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL B 634 13.624 -4.238 -2.225 1.00 0.00 H new ATOM 1295 N GLY B 635 13.503 -8.324 0.836 1.00 0.00 N ATOM 1296 CA GLY B 635 13.824 -9.650 1.324 1.00 0.00 C ATOM 1297 C GLY B 635 14.915 -9.646 2.375 1.00 0.00 C ATOM 1298 O GLY B 635 15.360 -8.585 2.819 1.00 0.00 O ATOM 0 H GLY B 635 12.599 -7.968 1.145 1.00 0.00 H new ATOM 0 HA2 GLY B 635 12.926 -10.104 1.742 1.00 0.00 H new ATOM 0 HA3 GLY B 635 14.136 -10.274 0.486 1.00 0.00 H new ATOM 1302 N GLU B 636 15.350 -10.835 2.772 1.00 0.00 N ATOM 1303 CA GLU B 636 16.400 -10.984 3.752 1.00 0.00 C ATOM 1304 C GLU B 636 17.750 -10.593 3.154 1.00 0.00 C ATOM 1305 O GLU B 636 18.698 -10.287 3.879 1.00 0.00 O ATOM 1306 CB GLU B 636 16.427 -12.426 4.241 1.00 0.00 C ATOM 1307 CG GLU B 636 17.360 -12.645 5.406 1.00 0.00 C ATOM 1308 CD GLU B 636 17.470 -14.101 5.804 1.00 0.00 C ATOM 1309 OE1 GLU B 636 18.133 -14.869 5.080 1.00 0.00 O ATOM 1310 OE2 GLU B 636 16.901 -14.484 6.846 1.00 0.00 O1- ATOM 0 H GLU B 636 14.981 -11.718 2.420 1.00 0.00 H new ATOM 0 HA GLU B 636 16.204 -10.322 4.596 1.00 0.00 H new ATOM 0 HB2 GLU B 636 15.419 -12.723 4.531 1.00 0.00 H new ATOM 0 HB3 GLU B 636 16.726 -13.076 3.418 1.00 0.00 H new ATOM 0 HG2 GLU B 636 18.350 -12.268 5.149 1.00 0.00 H new ATOM 0 HG3 GLU B 636 17.010 -12.065 6.260 1.00 0.00 H new ATOM 1317 N HIS B 637 17.826 -10.586 1.825 1.00 0.00 N ATOM 1318 CA HIS B 637 19.048 -10.192 1.131 1.00 0.00 C ATOM 1319 C HIS B 637 19.181 -8.671 1.142 1.00 0.00 C ATOM 1320 O HIS B 637 20.253 -8.120 0.896 1.00 0.00 O ATOM 1321 CB HIS B 637 19.038 -10.730 -0.310 1.00 0.00 C ATOM 1322 CG HIS B 637 20.265 -10.404 -1.111 1.00 0.00 C ATOM 1323 ND1 HIS B 637 21.410 -11.170 -1.085 1.00 0.00 N ATOM 1324 CD2 HIS B 637 20.514 -9.392 -1.976 1.00 0.00 C ATOM 1325 CE1 HIS B 637 22.308 -10.643 -1.896 1.00 0.00 C ATOM 1326 NE2 HIS B 637 21.789 -9.566 -2.449 1.00 0.00 N ATOM 0 H HIS B 637 17.057 -10.848 1.209 1.00 0.00 H new ATOM 0 HA HIS B 637 19.908 -10.620 1.647 1.00 0.00 H new ATOM 0 HB2 HIS B 637 18.919 -11.813 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS B 637 18.166 -10.329 -0.827 1.00 0.00 H new ATOM 0 HD2 HIS B 637 19.835 -8.596 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS B 637 23.300 -11.029 -2.076 1.00 0.00 H new ATOM 0 HE2 HIS B 637 22.260 -8.959 -3.121 1.00 0.00 H new ATOM 1335 N ARG B 638 18.064 -8.017 1.464 1.00 0.00 N ATOM 1336 CA ARG B 638 18.015 -6.577 1.707 1.00 0.00 C ATOM 1337 C ARG B 638 18.454 -5.768 0.490 1.00 0.00 C ATOM 1338 O ARG B 638 19.097 -4.727 0.635 1.00 0.00 O ATOM 1339 CB ARG B 638 18.878 -6.215 2.917 1.00 0.00 C ATOM 1340 CG ARG B 638 18.495 -6.955 4.180 1.00 0.00 C ATOM 1341 CD ARG B 638 19.452 -6.632 5.309 1.00 0.00 C ATOM 1342 NE ARG B 638 19.520 -5.200 5.583 1.00 0.00 N ATOM 1343 CZ ARG B 638 20.548 -4.609 6.186 1.00 0.00 C ATOM 1344 NH1 ARG B 638 21.601 -5.323 6.569 1.00 0.00 N1+ ATOM 1345 NH2 ARG B 638 20.524 -3.304 6.406 1.00 0.00 N ATOM 0 H ARG B 638 17.160 -8.478 1.564 1.00 0.00 H new ATOM 0 HA ARG B 638 16.975 -6.320 1.910 1.00 0.00 H new ATOM 0 HB2 ARG B 638 19.922 -6.427 2.684 1.00 0.00 H new ATOM 0 HB3 ARG B 638 18.803 -5.143 3.098 1.00 0.00 H new ATOM 0 HG2 ARG B 638 17.480 -6.685 4.470 1.00 0.00 H new ATOM 0 HG3 ARG B 638 18.498 -8.029 3.992 1.00 0.00 H new ATOM 0 HD2 ARG B 638 19.138 -7.158 6.211 1.00 0.00 H new ATOM 0 HD3 ARG B 638 20.447 -6.999 5.056 1.00 0.00 H new ATOM 0 HE ARG B 638 18.733 -4.618 5.295 1.00 0.00 H new ATOM 0 HH11 ARG B 638 21.624 -6.329 6.401 1.00 0.00 H new ATOM 0 HH12 ARG B 638 22.387 -4.865 7.031 1.00 0.00 H new ATOM 0 HH21 ARG B 638 19.718 -2.752 6.113 1.00 0.00 H new ATOM 0 HH22 ARG B 638 21.312 -2.850 6.868 1.00 0.00 H new ATOM 1359 N ALA B 639 18.095 -6.235 -0.700 1.00 0.00 N ATOM 1360 CA ALA B 639 18.411 -5.507 -1.922 1.00 0.00 C ATOM 1361 C ALA B 639 17.622 -4.213 -1.961 1.00 0.00 C ATOM 1362 O ALA B 639 16.392 -4.228 -1.950 1.00 0.00 O ATOM 1363 CB ALA B 639 18.108 -6.345 -3.152 1.00 0.00 C ATOM 0 H ALA B 639 17.588 -7.108 -0.844 1.00 0.00 H new ATOM 0 HA ALA B 639 19.477 -5.282 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA B 639 18.353 -5.777 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA B 639 18.704 -7.257 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA B 639 17.049 -6.603 -3.165 1.00 0.00 H new ATOM 1369 N GLN B 640 18.327 -3.101 -2.003 1.00 0.00 N ATOM 1370 CA GLN B 640 17.686 -1.806 -1.884 1.00 0.00 C ATOM 1371 C GLN B 640 17.127 -1.325 -3.207 1.00 0.00 C ATOM 1372 O GLN B 640 17.851 -1.122 -4.181 1.00 0.00 O ATOM 1373 CB GLN B 640 18.636 -0.775 -1.290 1.00 0.00 C ATOM 1374 CG GLN B 640 18.936 -1.040 0.171 1.00 0.00 C ATOM 1375 CD GLN B 640 19.724 0.074 0.824 1.00 0.00 C ATOM 1376 OE1 GLN B 640 20.496 0.776 0.169 1.00 0.00 O ATOM 1377 NE2 GLN B 640 19.542 0.238 2.123 1.00 0.00 N ATOM 0 H GLN B 640 19.340 -3.067 -2.118 1.00 0.00 H new ATOM 0 HA GLN B 640 16.845 -1.928 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN B 640 19.568 -0.776 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN B 640 18.201 0.219 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN B 640 17.998 -1.178 0.709 1.00 0.00 H new ATOM 0 HG3 GLN B 640 19.494 -1.972 0.258 1.00 0.00 H new ATOM 0 HE21 GLN B 640 18.893 -0.366 2.627 1.00 0.00 H new ATOM 0 HE22 GLN B 640 20.051 0.968 2.621 1.00 0.00 H new ATOM 1386 N VAL B 641 15.819 -1.159 -3.219 1.00 0.00 N ATOM 1387 CA VAL B 641 15.107 -0.653 -4.375 1.00 0.00 C ATOM 1388 C VAL B 641 14.600 0.750 -4.087 1.00 0.00 C ATOM 1389 O VAL B 641 13.802 0.959 -3.170 1.00 0.00 O ATOM 1390 CB VAL B 641 13.924 -1.568 -4.766 1.00 0.00 C ATOM 1391 CG1 VAL B 641 13.115 -0.969 -5.909 1.00 0.00 C ATOM 1392 CG2 VAL B 641 14.426 -2.949 -5.150 1.00 0.00 C ATOM 0 H VAL B 641 15.218 -1.372 -2.423 1.00 0.00 H new ATOM 0 HA VAL B 641 15.802 -0.633 -5.215 1.00 0.00 H new ATOM 0 HB VAL B 641 13.271 -1.656 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL B 641 12.291 -1.636 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL B 641 12.718 -0.000 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL B 641 13.757 -0.841 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL B 641 13.581 -3.581 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL B 641 15.105 -2.866 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL B 641 14.953 -3.393 -4.305 1.00 0.00 H new ATOM 1402 N SER B 642 15.096 1.707 -4.843 1.00 0.00 N ATOM 1403 CA SER B 642 14.687 3.086 -4.688 1.00 0.00 C ATOM 1404 C SER B 642 13.529 3.391 -5.628 1.00 0.00 C ATOM 1405 O SER B 642 13.718 3.505 -6.841 1.00 0.00 O ATOM 1406 CB SER B 642 15.869 4.010 -4.976 1.00 0.00 C ATOM 1407 OG SER B 642 16.975 3.696 -4.143 1.00 0.00 O ATOM 0 H SER B 642 15.788 1.553 -5.576 1.00 0.00 H new ATOM 0 HA SER B 642 14.355 3.252 -3.663 1.00 0.00 H new ATOM 0 HB2 SER B 642 16.160 3.919 -6.022 1.00 0.00 H new ATOM 0 HB3 SER B 642 15.572 5.047 -4.817 1.00 0.00 H new ATOM 0 HG SER B 642 17.720 4.300 -4.347 1.00 0.00 H new ATOM 1413 N VAL B 643 12.329 3.493 -5.080 1.00 0.00 N ATOM 1414 CA VAL B 643 11.157 3.746 -5.883 1.00 0.00 C ATOM 1415 C VAL B 643 10.559 5.121 -5.559 1.00 0.00 C ATOM 1416 O VAL B 643 10.216 5.413 -4.412 1.00 0.00 O ATOM 1417 CB VAL B 643 10.119 2.618 -5.670 1.00 0.00 C ATOM 1418 CG1 VAL B 643 9.739 2.475 -4.204 1.00 0.00 C ATOM 1419 CG2 VAL B 643 8.892 2.843 -6.521 1.00 0.00 C ATOM 0 H VAL B 643 12.147 3.403 -4.080 1.00 0.00 H new ATOM 0 HA VAL B 643 11.445 3.755 -6.934 1.00 0.00 H new ATOM 0 HB VAL B 643 10.586 1.684 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL B 643 9.009 1.673 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL B 643 10.628 2.239 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL B 643 9.308 3.410 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL B 643 8.179 2.036 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL B 643 8.433 3.795 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL B 643 9.177 2.861 -7.573 1.00 0.00 H new ATOM 1429 N GLU B 644 10.459 5.967 -6.577 1.00 0.00 N ATOM 1430 CA GLU B 644 9.940 7.323 -6.413 1.00 0.00 C ATOM 1431 C GLU B 644 8.420 7.330 -6.505 1.00 0.00 C ATOM 1432 O GLU B 644 7.853 7.218 -7.593 1.00 0.00 O ATOM 1433 CB GLU B 644 10.529 8.249 -7.477 1.00 0.00 C ATOM 1434 CG GLU B 644 12.011 8.525 -7.295 1.00 0.00 C ATOM 1435 CD GLU B 644 12.584 9.361 -8.417 1.00 0.00 C ATOM 1436 OE1 GLU B 644 12.390 10.592 -8.402 1.00 0.00 O ATOM 1437 OE2 GLU B 644 13.233 8.791 -9.320 1.00 0.00 O1- ATOM 0 H GLU B 644 10.732 5.737 -7.532 1.00 0.00 H new ATOM 0 HA GLU B 644 10.232 7.684 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU B 644 10.369 7.806 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU B 644 9.988 9.195 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU B 644 12.168 9.038 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU B 644 12.550 7.579 -7.239 1.00 0.00 H new ATOM 1444 N VAL B 645 7.766 7.457 -5.367 1.00 0.00 N ATOM 1445 CA VAL B 645 6.332 7.390 -5.288 1.00 0.00 C ATOM 1446 C VAL B 645 5.754 8.748 -4.882 1.00 0.00 C ATOM 1447 O VAL B 645 6.437 9.551 -4.246 1.00 0.00 O ATOM 1448 CB VAL B 645 5.957 6.325 -4.246 1.00 0.00 C ATOM 1449 CG1 VAL B 645 4.507 6.431 -3.880 1.00 0.00 C ATOM 1450 CG2 VAL B 645 6.286 4.932 -4.760 1.00 0.00 C ATOM 0 H VAL B 645 8.224 7.610 -4.469 1.00 0.00 H new ATOM 0 HA VAL B 645 5.920 7.126 -6.262 1.00 0.00 H new ATOM 0 HB VAL B 645 6.547 6.502 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL B 645 4.262 5.668 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL B 645 4.308 7.418 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL B 645 3.895 6.284 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL B 645 6.013 4.193 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL B 645 5.727 4.741 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL B 645 7.354 4.863 -4.966 1.00 0.00 H new ATOM 1460 N LEU B 646 4.507 9.017 -5.263 1.00 0.00 N ATOM 1461 CA LEU B 646 3.825 10.208 -4.781 1.00 0.00 C ATOM 1462 C LEU B 646 3.351 9.978 -3.353 1.00 0.00 C ATOM 1463 O LEU B 646 2.824 8.917 -3.025 1.00 0.00 O ATOM 1464 CB LEU B 646 2.627 10.605 -5.647 1.00 0.00 C ATOM 1465 CG LEU B 646 2.954 11.082 -7.059 1.00 0.00 C ATOM 1466 CD1 LEU B 646 1.900 12.063 -7.548 1.00 0.00 C ATOM 1467 CD2 LEU B 646 4.318 11.722 -7.111 1.00 0.00 C ATOM 0 H LEU B 646 3.958 8.434 -5.895 1.00 0.00 H new ATOM 0 HA LEU B 646 4.544 11.026 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU B 646 1.956 9.749 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU B 646 2.079 11.396 -5.135 1.00 0.00 H new ATOM 0 HG LEU B 646 2.957 10.211 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU B 646 2.150 12.392 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU B 646 0.925 11.575 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU B 646 1.869 12.925 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU B 646 4.526 12.053 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU B 646 4.344 12.579 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU B 646 5.072 10.997 -6.804 1.00 0.00 H new ATOM 1479 N VAL B 647 3.515 10.990 -2.518 1.00 0.00 N ATOM 1480 CA VAL B 647 3.235 10.880 -1.091 1.00 0.00 C ATOM 1481 C VAL B 647 1.754 10.625 -0.803 1.00 0.00 C ATOM 1482 O VAL B 647 1.387 10.262 0.311 1.00 0.00 O ATOM 1483 CB VAL B 647 3.688 12.143 -0.330 1.00 0.00 C ATOM 1484 CG1 VAL B 647 5.196 12.318 -0.425 1.00 0.00 C ATOM 1485 CG2 VAL B 647 2.969 13.376 -0.857 1.00 0.00 C ATOM 0 H VAL B 647 3.845 11.911 -2.807 1.00 0.00 H new ATOM 0 HA VAL B 647 3.805 10.020 -0.740 1.00 0.00 H new ATOM 0 HB VAL B 647 3.426 12.019 0.721 1.00 0.00 H new ATOM 0 HG11 VAL B 647 5.493 13.215 0.119 1.00 0.00 H new ATOM 0 HG12 VAL B 647 5.691 11.450 0.009 1.00 0.00 H new ATOM 0 HG13 VAL B 647 5.486 12.415 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL B 647 3.303 14.255 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL B 647 3.194 13.504 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL B 647 1.894 13.254 -0.727 1.00 0.00 H new ATOM 1495 N GLU B 648 0.908 10.805 -1.808 1.00 0.00 N ATOM 1496 CA GLU B 648 -0.524 10.598 -1.637 1.00 0.00 C ATOM 1497 C GLU B 648 -0.896 9.130 -1.816 1.00 0.00 C ATOM 1498 O GLU B 648 -2.058 8.753 -1.662 1.00 0.00 O ATOM 1499 CB GLU B 648 -1.315 11.467 -2.616 1.00 0.00 C ATOM 1500 CG GLU B 648 -0.925 11.275 -4.071 1.00 0.00 C ATOM 1501 CD GLU B 648 -1.756 12.125 -5.006 1.00 0.00 C ATOM 1502 OE1 GLU B 648 -1.598 13.364 -4.986 1.00 0.00 O1- ATOM 1503 OE2 GLU B 648 -2.572 11.561 -5.760 1.00 0.00 O ATOM 0 H GLU B 648 1.186 11.093 -2.746 1.00 0.00 H new ATOM 0 HA GLU B 648 -0.782 10.892 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU B 648 -2.377 11.248 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU B 648 -1.176 12.515 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU B 648 0.129 11.523 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU B 648 -1.040 10.225 -4.340 1.00 0.00 H new ATOM 1510 N TYR B 649 0.091 8.304 -2.141 1.00 0.00 N ATOM 1511 CA TYR B 649 -0.137 6.885 -2.313 1.00 0.00 C ATOM 1512 C TYR B 649 -0.110 6.164 -0.972 1.00 0.00 C ATOM 1513 O TYR B 649 0.841 6.303 -0.200 1.00 0.00 O ATOM 1514 CB TYR B 649 0.914 6.294 -3.251 1.00 0.00 C ATOM 1515 CG TYR B 649 0.602 6.507 -4.715 1.00 0.00 C ATOM 1516 CD1 TYR B 649 0.560 7.782 -5.260 1.00 0.00 C ATOM 1517 CD2 TYR B 649 0.341 5.429 -5.549 1.00 0.00 C ATOM 1518 CE1 TYR B 649 0.268 7.978 -6.594 1.00 0.00 C ATOM 1519 CE2 TYR B 649 0.049 5.616 -6.885 1.00 0.00 C ATOM 1520 CZ TYR B 649 0.014 6.893 -7.401 1.00 0.00 C ATOM 1521 OH TYR B 649 -0.277 7.085 -8.732 1.00 0.00 O ATOM 0 H TYR B 649 1.056 8.598 -2.290 1.00 0.00 H new ATOM 0 HA TYR B 649 -1.124 6.748 -2.754 1.00 0.00 H new ATOM 0 HB2 TYR B 649 1.883 6.740 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR B 649 1.002 5.225 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR B 649 0.759 8.636 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR B 649 0.367 4.427 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR B 649 0.239 8.977 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR B 649 -0.151 4.767 -7.522 1.00 0.00 H new ATOM 0 HH TYR B 649 -0.430 6.218 -9.162 1.00 0.00 H new ATOM 1531 N PRO B 650 -1.173 5.412 -0.665 1.00 0.00 N ATOM 1532 CA PRO B 650 -1.226 4.590 0.522 1.00 0.00 C ATOM 1533 C PRO B 650 -0.605 3.221 0.288 1.00 0.00 C ATOM 1534 O PRO B 650 -0.740 2.638 -0.785 1.00 0.00 O ATOM 1535 CB PRO B 650 -2.720 4.478 0.810 1.00 0.00 C ATOM 1536 CG PRO B 650 -3.415 4.717 -0.492 1.00 0.00 C ATOM 1537 CD PRO B 650 -2.412 5.310 -1.448 1.00 0.00 C ATOM 0 HA PRO B 650 -0.662 5.016 1.352 1.00 0.00 H new ATOM 0 HB2 PRO B 650 -2.967 3.494 1.208 1.00 0.00 H new ATOM 0 HB3 PRO B 650 -3.029 5.210 1.556 1.00 0.00 H new ATOM 0 HG2 PRO B 650 -3.815 3.784 -0.888 1.00 0.00 H new ATOM 0 HG3 PRO B 650 -4.259 5.393 -0.356 1.00 0.00 H new ATOM 0 HD2 PRO B 650 -2.277 4.676 -2.325 1.00 0.00 H new ATOM 0 HD3 PRO B 650 -2.736 6.287 -1.808 1.00 0.00 H new ATOM 1545 N PHE B 651 0.084 2.722 1.296 1.00 0.00 N ATOM 1546 CA PHE B 651 0.746 1.440 1.214 1.00 0.00 C ATOM 1547 C PHE B 651 0.375 0.586 2.405 1.00 0.00 C ATOM 1548 O PHE B 651 0.571 0.978 3.558 1.00 0.00 O ATOM 1549 CB PHE B 651 2.265 1.607 1.163 1.00 0.00 C ATOM 1550 CG PHE B 651 2.764 2.187 -0.123 1.00 0.00 C ATOM 1551 CD1 PHE B 651 2.839 3.557 -0.293 1.00 0.00 C ATOM 1552 CD2 PHE B 651 3.155 1.361 -1.164 1.00 0.00 C ATOM 1553 CE1 PHE B 651 3.294 4.095 -1.476 1.00 0.00 C ATOM 1554 CE2 PHE B 651 3.613 1.894 -2.352 1.00 0.00 C ATOM 1555 CZ PHE B 651 3.682 3.263 -2.509 1.00 0.00 C ATOM 0 H PHE B 651 0.199 3.195 2.192 1.00 0.00 H new ATOM 0 HA PHE B 651 0.418 0.952 0.296 1.00 0.00 H new ATOM 0 HB2 PHE B 651 2.579 2.248 1.986 1.00 0.00 H new ATOM 0 HB3 PHE B 651 2.734 0.635 1.319 1.00 0.00 H new ATOM 0 HD1 PHE B 651 2.537 4.212 0.511 1.00 0.00 H new ATOM 0 HD2 PHE B 651 3.101 0.289 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE B 651 3.348 5.167 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE B 651 3.917 1.241 -3.157 1.00 0.00 H new ATOM 0 HZ PHE B 651 4.039 3.684 -3.438 1.00 0.00 H new ATOM 1565 N PHE B 652 -0.190 -0.566 2.126 1.00 0.00 N ATOM 1566 CA PHE B 652 -0.426 -1.542 3.158 1.00 0.00 C ATOM 1567 C PHE B 652 0.915 -2.034 3.659 1.00 0.00 C ATOM 1568 O PHE B 652 1.804 -2.299 2.863 1.00 0.00 O ATOM 1569 CB PHE B 652 -1.265 -2.693 2.622 1.00 0.00 C ATOM 1570 CG PHE B 652 -2.574 -2.808 3.325 1.00 0.00 C ATOM 1571 CD1 PHE B 652 -2.636 -3.363 4.586 1.00 0.00 C ATOM 1572 CD2 PHE B 652 -3.736 -2.336 2.742 1.00 0.00 C ATOM 1573 CE1 PHE B 652 -3.832 -3.453 5.255 1.00 0.00 C ATOM 1574 CE2 PHE B 652 -4.939 -2.418 3.410 1.00 0.00 C ATOM 1575 CZ PHE B 652 -4.986 -2.980 4.670 1.00 0.00 C ATOM 0 H PHE B 652 -0.493 -0.848 1.194 1.00 0.00 H new ATOM 0 HA PHE B 652 -0.982 -1.092 3.981 1.00 0.00 H new ATOM 0 HB2 PHE B 652 -1.438 -2.549 1.556 1.00 0.00 H new ATOM 0 HB3 PHE B 652 -0.712 -3.626 2.732 1.00 0.00 H new ATOM 0 HD1 PHE B 652 -1.734 -3.731 5.053 1.00 0.00 H new ATOM 0 HD2 PHE B 652 -3.701 -1.899 1.755 1.00 0.00 H new ATOM 0 HE1 PHE B 652 -3.868 -3.895 6.240 1.00 0.00 H new ATOM 0 HE2 PHE B 652 -5.841 -2.044 2.949 1.00 0.00 H new ATOM 0 HZ PHE B 652 -5.926 -3.049 5.197 1.00 0.00 H new ATOM 1585 N VAL B 653 1.092 -2.115 4.963 1.00 0.00 N ATOM 1586 CA VAL B 653 2.392 -2.454 5.495 1.00 0.00 C ATOM 1587 C VAL B 653 2.368 -3.825 6.190 1.00 0.00 C ATOM 1588 O VAL B 653 1.553 -4.064 7.076 1.00 0.00 O ATOM 1589 CB VAL B 653 2.911 -1.375 6.468 1.00 0.00 C ATOM 1590 CG1 VAL B 653 4.410 -1.438 6.549 1.00 0.00 C ATOM 1591 CG2 VAL B 653 2.511 0.029 6.060 1.00 0.00 C ATOM 0 H VAL B 653 0.366 -1.954 5.661 1.00 0.00 H new ATOM 0 HA VAL B 653 3.077 -2.504 4.649 1.00 0.00 H new ATOM 0 HB VAL B 653 2.456 -1.587 7.436 1.00 0.00 H new ATOM 0 HG11 VAL B 653 4.770 -0.673 7.238 1.00 0.00 H new ATOM 0 HG12 VAL B 653 4.714 -2.421 6.908 1.00 0.00 H new ATOM 0 HG13 VAL B 653 4.835 -1.265 5.560 1.00 0.00 H new ATOM 0 HG21 VAL B 653 2.905 0.744 6.782 1.00 0.00 H new ATOM 0 HG22 VAL B 653 2.916 0.250 5.073 1.00 0.00 H new ATOM 0 HG23 VAL B 653 1.424 0.104 6.031 1.00 0.00 H new ATOM 1601 N PHE B 654 3.315 -4.678 5.788 1.00 0.00 N ATOM 1602 CA PHE B 654 3.399 -6.109 6.143 1.00 0.00 C ATOM 1603 C PHE B 654 3.464 -6.376 7.649 1.00 0.00 C ATOM 1604 O PHE B 654 4.542 -6.606 8.199 1.00 0.00 O ATOM 1605 CB PHE B 654 4.648 -6.700 5.458 1.00 0.00 C ATOM 1606 CG PHE B 654 4.744 -8.199 5.543 1.00 0.00 C ATOM 1607 CD1 PHE B 654 3.699 -8.997 5.108 1.00 0.00 C ATOM 1608 CD2 PHE B 654 5.882 -8.807 6.047 1.00 0.00 C ATOM 1609 CE1 PHE B 654 3.785 -10.374 5.177 1.00 0.00 C ATOM 1610 CE2 PHE B 654 5.974 -10.184 6.119 1.00 0.00 C ATOM 1611 CZ PHE B 654 4.924 -10.968 5.684 1.00 0.00 C ATOM 0 H PHE B 654 4.079 -4.383 5.180 1.00 0.00 H new ATOM 0 HA PHE B 654 2.481 -6.584 5.798 1.00 0.00 H new ATOM 0 HB2 PHE B 654 4.647 -6.406 4.408 1.00 0.00 H new ATOM 0 HB3 PHE B 654 5.538 -6.263 5.911 1.00 0.00 H new ATOM 0 HD1 PHE B 654 2.806 -8.537 4.710 1.00 0.00 H new ATOM 0 HD2 PHE B 654 6.707 -8.198 6.387 1.00 0.00 H new ATOM 0 HE1 PHE B 654 2.963 -10.985 4.835 1.00 0.00 H new ATOM 0 HE2 PHE B 654 6.866 -10.646 6.515 1.00 0.00 H new ATOM 0 HZ PHE B 654 4.993 -12.044 5.740 1.00 0.00 H new ATOM 1621 N GLY B 655 2.318 -6.372 8.306 1.00 0.00 N ATOM 1622 CA GLY B 655 2.284 -6.621 9.735 1.00 0.00 C ATOM 1623 C GLY B 655 2.358 -5.340 10.534 1.00 0.00 C ATOM 1624 O GLY B 655 2.134 -5.330 11.746 1.00 0.00 O ATOM 0 H GLY B 655 1.408 -6.201 7.878 1.00 0.00 H new ATOM 0 HA2 GLY B 655 1.368 -7.154 9.989 1.00 0.00 H new ATOM 0 HA3 GLY B 655 3.116 -7.269 10.010 1.00 0.00 H new ATOM 1628 N GLN B 656 2.674 -4.251 9.850 1.00 0.00 N ATOM 1629 CA GLN B 656 2.779 -2.959 10.476 1.00 0.00 C ATOM 1630 C GLN B 656 1.407 -2.283 10.529 1.00 0.00 C ATOM 1631 O GLN B 656 0.991 -1.801 11.581 1.00 0.00 O ATOM 1632 CB GLN B 656 3.792 -2.095 9.722 1.00 0.00 C ATOM 1633 CG GLN B 656 5.250 -2.507 9.896 1.00 0.00 C ATOM 1634 CD GLN B 656 5.603 -3.766 9.134 1.00 0.00 C ATOM 1635 OE1 GLN B 656 5.014 -3.908 7.952 1.00 0.00 O flip ATOM 1636 NE2 GLN B 656 6.413 -4.568 9.584 1.00 0.00 N flip ATOM 0 H GLN B 656 2.863 -4.247 8.848 1.00 0.00 H new ATOM 0 HA GLN B 656 3.131 -3.084 11.500 1.00 0.00 H new ATOM 0 HB2 GLN B 656 3.548 -2.120 8.660 1.00 0.00 H new ATOM 0 HB3 GLN B 656 3.681 -1.062 10.051 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.894 -1.694 9.562 1.00 0.00 H new ATOM 0 HG3 GLN B 656 5.455 -2.661 10.956 1.00 0.00 H new ATOM 0 HE21 GLN B 656 6.835 -4.408 10.499 1.00 0.00 H new ATOM 0 HE22 GLN B 656 6.666 -5.395 9.044 1.00 0.00 H new ATOM 1645 N GLY B 657 0.689 -2.269 9.405 1.00 0.00 N ATOM 1646 CA GLY B 657 -0.656 -1.716 9.408 1.00 0.00 C ATOM 1647 C GLY B 657 -1.095 -1.151 8.070 1.00 0.00 C ATOM 1648 O GLY B 657 -0.642 -1.596 7.018 1.00 0.00 O ATOM 0 H GLY B 657 1.010 -2.626 8.505 1.00 0.00 H new ATOM 0 HA2 GLY B 657 -1.357 -2.494 9.709 1.00 0.00 H new ATOM 0 HA3 GLY B 657 -0.712 -0.928 10.159 1.00 0.00 H new ATOM 1652 N TRP B 658 -1.994 -0.175 8.124 1.00 0.00 N ATOM 1653 CA TRP B 658 -2.570 0.440 6.931 1.00 0.00 C ATOM 1654 C TRP B 658 -2.110 1.898 6.846 1.00 0.00 C ATOM 1655 O TRP B 658 -2.701 2.781 7.472 1.00 0.00 O ATOM 1656 CB TRP B 658 -4.103 0.350 7.019 1.00 0.00 C ATOM 1657 CG TRP B 658 -4.870 0.802 5.804 1.00 0.00 C ATOM 1658 CD1 TRP B 658 -6.200 1.102 5.784 1.00 0.00 C ATOM 1659 CD2 TRP B 658 -4.398 1.004 4.455 1.00 0.00 C ATOM 1660 NE1 TRP B 658 -6.588 1.466 4.524 1.00 0.00 N ATOM 1661 CE2 TRP B 658 -5.508 1.417 3.691 1.00 0.00 C ATOM 1662 CE3 TRP B 658 -3.158 0.877 3.814 1.00 0.00 C ATOM 1663 CZ2 TRP B 658 -5.417 1.701 2.333 1.00 0.00 C ATOM 1664 CZ3 TRP B 658 -3.075 1.162 2.465 1.00 0.00 C ATOM 1665 CH2 TRP B 658 -4.196 1.567 1.740 1.00 0.00 C ATOM 0 H TRP B 658 -2.346 0.214 8.999 1.00 0.00 H new ATOM 0 HA TRP B 658 -2.238 -0.079 6.032 1.00 0.00 H new ATOM 0 HB2 TRP B 658 -4.373 -0.685 7.228 1.00 0.00 H new ATOM 0 HB3 TRP B 658 -4.432 0.944 7.872 1.00 0.00 H new ATOM 0 HD1 TRP B 658 -6.855 1.058 6.642 1.00 0.00 H new ATOM 0 HE1 TRP B 658 -7.534 1.732 4.250 1.00 0.00 H new ATOM 0 HE3 TRP B 658 -2.284 0.562 4.365 1.00 0.00 H new ATOM 0 HZ2 TRP B 658 -6.282 2.016 1.768 1.00 0.00 H new ATOM 0 HZ3 TRP B 658 -2.124 1.070 1.962 1.00 0.00 H new ATOM 0 HH2 TRP B 658 -4.095 1.779 0.686 1.00 0.00 H new ATOM 1676 N SER B 659 -1.064 2.153 6.068 1.00 0.00 N ATOM 1677 CA SER B 659 -0.377 3.438 6.119 1.00 0.00 C ATOM 1678 C SER B 659 -0.235 4.081 4.738 1.00 0.00 C ATOM 1679 O SER B 659 -0.525 3.462 3.724 1.00 0.00 O ATOM 1680 CB SER B 659 1.004 3.234 6.743 1.00 0.00 C ATOM 1681 OG SER B 659 0.899 2.615 8.014 1.00 0.00 O ATOM 0 H SER B 659 -0.675 1.490 5.397 1.00 0.00 H new ATOM 0 HA SER B 659 -0.977 4.118 6.724 1.00 0.00 H new ATOM 0 HB2 SER B 659 1.618 2.619 6.084 1.00 0.00 H new ATOM 0 HB3 SER B 659 1.508 4.195 6.843 1.00 0.00 H new ATOM 0 HG SER B 659 1.794 2.493 8.393 1.00 0.00 H new ATOM 1687 N SER B 660 0.169 5.348 4.716 1.00 0.00 N ATOM 1688 CA SER B 660 0.505 6.026 3.471 1.00 0.00 C ATOM 1689 C SER B 660 1.664 6.981 3.699 1.00 0.00 C ATOM 1690 O SER B 660 1.925 7.399 4.833 1.00 0.00 O ATOM 1691 CB SER B 660 -0.701 6.784 2.916 1.00 0.00 C ATOM 1692 OG SER B 660 -1.065 7.864 3.748 1.00 0.00 O ATOM 0 H SER B 660 0.271 5.926 5.550 1.00 0.00 H new ATOM 0 HA SER B 660 0.798 5.274 2.739 1.00 0.00 H new ATOM 0 HB2 SER B 660 -0.470 7.155 1.918 1.00 0.00 H new ATOM 0 HB3 SER B 660 -1.545 6.102 2.815 1.00 0.00 H new ATOM 0 HG SER B 660 -1.561 8.527 3.225 1.00 0.00 H new ATOM 1698 N CYS B 661 2.373 7.303 2.617 1.00 0.00 N ATOM 1699 CA CYS B 661 3.549 8.166 2.683 1.00 0.00 C ATOM 1700 C CYS B 661 3.183 9.555 3.190 1.00 0.00 C ATOM 1701 O CYS B 661 4.048 10.319 3.618 1.00 0.00 O ATOM 1702 CB CYS B 661 4.203 8.260 1.306 1.00 0.00 C ATOM 1703 SG CYS B 661 4.705 6.664 0.623 1.00 0.00 S ATOM 0 H CYS B 661 2.149 6.975 1.677 1.00 0.00 H new ATOM 0 HA CYS B 661 4.257 7.728 3.387 1.00 0.00 H new ATOM 0 HB2 CYS B 661 3.507 8.737 0.616 1.00 0.00 H new ATOM 0 HB3 CYS B 661 5.078 8.907 1.374 1.00 0.00 H new ATOM 0 HG CYS B 661 3.649 5.983 0.289 1.00 0.00 H new ATOM 1709 N CYS B 662 1.899 9.872 3.135 1.00 0.00 N ATOM 1710 CA CYS B 662 1.385 11.108 3.683 1.00 0.00 C ATOM 1711 C CYS B 662 -0.105 10.967 3.934 1.00 0.00 C ATOM 1712 O CYS B 662 -0.924 11.285 3.066 1.00 0.00 O ATOM 1713 CB CYS B 662 1.660 12.289 2.746 1.00 0.00 C ATOM 1714 SG CYS B 662 1.133 13.891 3.401 1.00 0.00 S ATOM 0 H CYS B 662 1.188 9.278 2.709 1.00 0.00 H new ATOM 0 HA CYS B 662 1.895 11.310 4.625 1.00 0.00 H new ATOM 0 HB2 CYS B 662 2.728 12.329 2.534 1.00 0.00 H new ATOM 0 HB3 CYS B 662 1.153 12.112 1.797 1.00 0.00 H new ATOM 0 HG CYS B 662 1.409 14.824 2.539 1.00 0.00 H new ATOM 1720 N PRO B 663 -0.474 10.469 5.127 1.00 0.00 N ATOM 1721 CA PRO B 663 -1.875 10.261 5.501 1.00 0.00 C ATOM 1722 C PRO B 663 -2.700 11.518 5.319 1.00 0.00 C ATOM 1723 O PRO B 663 -3.864 11.456 4.928 1.00 0.00 O ATOM 1724 CB PRO B 663 -1.801 9.885 6.976 1.00 0.00 C ATOM 1725 CG PRO B 663 -0.440 9.313 7.154 1.00 0.00 C ATOM 1726 CD PRO B 663 0.448 10.063 6.202 1.00 0.00 C ATOM 0 HA PRO B 663 -2.356 9.503 4.882 1.00 0.00 H new ATOM 0 HB2 PRO B 663 -1.951 10.756 7.614 1.00 0.00 H new ATOM 0 HB3 PRO B 663 -2.572 9.161 7.239 1.00 0.00 H new ATOM 0 HG2 PRO B 663 -0.098 9.430 8.182 1.00 0.00 H new ATOM 0 HG3 PRO B 663 -0.433 8.245 6.936 1.00 0.00 H new ATOM 0 HD2 PRO B 663 0.913 10.925 6.680 1.00 0.00 H new ATOM 0 HD3 PRO B 663 1.254 9.435 5.824 1.00 0.00 H new ATOM 1734 N GLU B 664 -2.072 12.656 5.583 1.00 0.00 N ATOM 1735 CA GLU B 664 -2.692 13.939 5.409 1.00 0.00 C ATOM 1736 C GLU B 664 -3.259 14.082 4.003 1.00 0.00 C ATOM 1737 O GLU B 664 -4.437 14.365 3.837 1.00 0.00 O ATOM 1738 CB GLU B 664 -1.656 15.022 5.674 1.00 0.00 C ATOM 1739 CG GLU B 664 -2.180 16.410 5.434 1.00 0.00 C ATOM 1740 CD GLU B 664 -1.149 17.480 5.708 1.00 0.00 C ATOM 1741 OE1 GLU B 664 -0.372 17.816 4.789 1.00 0.00 O ATOM 1742 OE2 GLU B 664 -1.112 17.990 6.849 1.00 0.00 O1- ATOM 0 H GLU B 664 -1.112 12.703 5.925 1.00 0.00 H new ATOM 0 HA GLU B 664 -3.520 14.038 6.111 1.00 0.00 H new ATOM 0 HB2 GLU B 664 -1.312 14.943 6.705 1.00 0.00 H new ATOM 0 HB3 GLU B 664 -0.789 14.852 5.035 1.00 0.00 H new ATOM 0 HG2 GLU B 664 -2.517 16.493 4.401 1.00 0.00 H new ATOM 0 HG3 GLU B 664 -3.050 16.580 6.068 1.00 0.00 H new ATOM 1749 N ARG B 665 -2.424 13.837 3.002 1.00 0.00 N ATOM 1750 CA ARG B 665 -2.806 14.042 1.610 1.00 0.00 C ATOM 1751 C ARG B 665 -3.768 12.949 1.139 1.00 0.00 C ATOM 1752 O ARG B 665 -4.715 13.230 0.403 1.00 0.00 O ATOM 1753 CB ARG B 665 -1.552 14.084 0.732 1.00 0.00 C ATOM 1754 CG ARG B 665 -1.804 14.493 -0.711 1.00 0.00 C ATOM 1755 CD ARG B 665 -0.493 14.737 -1.439 1.00 0.00 C ATOM 1756 NE ARG B 665 -0.675 14.975 -2.871 1.00 0.00 N ATOM 1757 CZ ARG B 665 0.012 15.880 -3.571 1.00 0.00 C ATOM 1758 NH1 ARG B 665 0.899 16.669 -2.973 1.00 0.00 N1+ ATOM 1759 NH2 ARG B 665 -0.190 15.992 -4.876 1.00 0.00 N ATOM 0 H ARG B 665 -1.472 13.494 3.129 1.00 0.00 H new ATOM 0 HA ARG B 665 -3.327 14.996 1.525 1.00 0.00 H new ATOM 0 HB2 ARG B 665 -0.838 14.779 1.174 1.00 0.00 H new ATOM 0 HB3 ARG B 665 -1.085 13.099 0.741 1.00 0.00 H new ATOM 0 HG2 ARG B 665 -2.369 13.713 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG B 665 -2.413 15.397 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG B 665 0.010 15.595 -0.994 1.00 0.00 H new ATOM 0 HD3 ARG B 665 0.161 13.876 -1.299 1.00 0.00 H new ATOM 0 HE ARG B 665 -1.370 14.415 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG B 665 1.060 16.586 -1.969 1.00 0.00 H new ATOM 0 HH12 ARG B 665 1.418 17.357 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG B 665 -0.868 15.388 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG B 665 0.332 16.682 -5.416 1.00 0.00 H new ATOM 1773 N THR B 666 -3.540 11.711 1.574 1.00 0.00 N ATOM 1774 CA THR B 666 -4.434 10.615 1.221 1.00 0.00 C ATOM 1775 C THR B 666 -5.833 10.884 1.783 1.00 0.00 C ATOM 1776 O THR B 666 -6.835 10.752 1.081 1.00 0.00 O ATOM 1777 CB THR B 666 -3.904 9.260 1.741 1.00 0.00 C ATOM 1778 OG1 THR B 666 -2.492 9.176 1.503 1.00 0.00 O ATOM 1779 CG2 THR B 666 -4.598 8.091 1.043 1.00 0.00 C ATOM 0 H THR B 666 -2.752 11.446 2.165 1.00 0.00 H new ATOM 0 HA THR B 666 -4.483 10.557 0.134 1.00 0.00 H new ATOM 0 HB THR B 666 -4.113 9.200 2.809 1.00 0.00 H new ATOM 0 HG1 THR B 666 -2.329 9.045 0.546 1.00 0.00 H new ATOM 0 HG21 THR B 666 -4.204 7.151 1.430 1.00 0.00 H new ATOM 0 HG22 THR B 666 -5.671 8.140 1.231 1.00 0.00 H new ATOM 0 HG23 THR B 666 -4.415 8.147 -0.030 1.00 0.00 H new ATOM 1787 N SER B 667 -5.891 11.301 3.043 1.00 0.00 N ATOM 1788 CA SER B 667 -7.145 11.664 3.672 1.00 0.00 C ATOM 1789 C SER B 667 -7.716 12.958 3.086 1.00 0.00 C ATOM 1790 O SER B 667 -8.925 13.091 2.919 1.00 0.00 O ATOM 1791 CB SER B 667 -6.925 11.813 5.172 1.00 0.00 C ATOM 1792 OG SER B 667 -6.538 10.579 5.746 1.00 0.00 O ATOM 0 H SER B 667 -5.075 11.395 3.648 1.00 0.00 H new ATOM 0 HA SER B 667 -7.871 10.874 3.481 1.00 0.00 H new ATOM 0 HB2 SER B 667 -6.157 12.563 5.359 1.00 0.00 H new ATOM 0 HB3 SER B 667 -7.840 12.169 5.645 1.00 0.00 H new ATOM 0 HG SER B 667 -6.521 9.887 5.053 1.00 0.00 H new ATOM 1798 N GLN B 668 -6.842 13.905 2.780 1.00 0.00 N ATOM 1799 CA GLN B 668 -7.250 15.170 2.194 1.00 0.00 C ATOM 1800 C GLN B 668 -8.002 15.003 0.886 1.00 0.00 C ATOM 1801 O GLN B 668 -9.102 15.528 0.719 1.00 0.00 O ATOM 1802 CB GLN B 668 -6.039 16.031 1.955 1.00 0.00 C ATOM 1803 CG GLN B 668 -5.779 16.982 3.091 1.00 0.00 C ATOM 1804 CD GLN B 668 -6.904 17.976 3.338 1.00 0.00 C ATOM 1805 OE1 GLN B 668 -8.079 17.705 3.081 1.00 0.00 O ATOM 1806 NE2 GLN B 668 -6.548 19.143 3.845 1.00 0.00 N ATOM 0 H GLN B 668 -5.837 13.818 2.930 1.00 0.00 H new ATOM 0 HA GLN B 668 -7.930 15.641 2.905 1.00 0.00 H new ATOM 0 HB2 GLN B 668 -5.166 15.394 1.811 1.00 0.00 H new ATOM 0 HB3 GLN B 668 -6.175 16.598 1.034 1.00 0.00 H new ATOM 0 HG2 GLN B 668 -5.611 16.407 4.001 1.00 0.00 H new ATOM 0 HG3 GLN B 668 -4.860 17.532 2.887 1.00 0.00 H new ATOM 0 HE21 GLN B 668 -5.566 19.334 4.046 1.00 0.00 H new ATOM 0 HE22 GLN B 668 -7.255 19.853 4.036 1.00 0.00 H new ATOM 1815 N LEU B 669 -7.415 14.257 -0.030 1.00 0.00 N ATOM 1816 CA LEU B 669 -7.931 14.187 -1.384 1.00 0.00 C ATOM 1817 C LEU B 669 -8.895 13.019 -1.558 1.00 0.00 C ATOM 1818 O LEU B 669 -9.903 13.130 -2.252 1.00 0.00 O ATOM 1819 CB LEU B 669 -6.769 14.052 -2.370 1.00 0.00 C ATOM 1820 CG LEU B 669 -5.568 14.967 -2.095 1.00 0.00 C ATOM 1821 CD1 LEU B 669 -4.519 14.808 -3.183 1.00 0.00 C ATOM 1822 CD2 LEU B 669 -5.994 16.425 -1.963 1.00 0.00 C ATOM 0 H LEU B 669 -6.582 13.692 0.138 1.00 0.00 H new ATOM 0 HA LEU B 669 -8.482 15.106 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.426 13.017 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -7.140 14.258 -3.374 1.00 0.00 H new ATOM 0 HG LEU B 669 -5.130 14.666 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -3.674 15.464 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -4.177 13.773 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -4.952 15.073 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -5.118 17.044 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -6.470 16.750 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.699 16.525 -1.138 1.00 0.00 H new ATOM 1834 N PHE B 670 -8.582 11.902 -0.919 1.00 0.00 N ATOM 1835 CA PHE B 670 -9.332 10.667 -1.127 1.00 0.00 C ATOM 1836 C PHE B 670 -10.218 10.345 0.072 1.00 0.00 C ATOM 1837 O PHE B 670 -10.954 9.357 0.063 1.00 0.00 O ATOM 1838 CB PHE B 670 -8.351 9.519 -1.388 1.00 0.00 C ATOM 1839 CG PHE B 670 -7.263 9.879 -2.363 1.00 0.00 C ATOM 1840 CD1 PHE B 670 -7.568 10.376 -3.620 1.00 0.00 C ATOM 1841 CD2 PHE B 670 -5.932 9.717 -2.019 1.00 0.00 C ATOM 1842 CE1 PHE B 670 -6.567 10.707 -4.512 1.00 0.00 C ATOM 1843 CE2 PHE B 670 -4.927 10.045 -2.906 1.00 0.00 C ATOM 1844 CZ PHE B 670 -5.243 10.540 -4.153 1.00 0.00 C ATOM 0 H PHE B 670 -7.815 11.823 -0.252 1.00 0.00 H new ATOM 0 HA PHE B 670 -9.984 10.797 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -7.898 9.215 -0.444 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -8.901 8.659 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -8.601 10.506 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -5.677 9.329 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.818 11.095 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.893 9.914 -2.623 1.00 0.00 H new ATOM 0 HZ PHE B 670 -4.457 10.797 -4.848 1.00 0.00 H new ATOM 1854 N ASP B 671 -10.123 11.184 1.107 1.00 0.00 N ATOM 1855 CA ASP B 671 -10.877 11.004 2.358 1.00 0.00 C ATOM 1856 C ASP B 671 -10.486 9.720 3.075 1.00 0.00 C ATOM 1857 O ASP B 671 -11.088 9.352 4.084 1.00 0.00 O ATOM 1858 CB ASP B 671 -12.388 11.025 2.112 1.00 0.00 C ATOM 1859 CG ASP B 671 -12.999 12.393 2.329 1.00 0.00 C ATOM 1860 OD1 ASP B 671 -12.646 13.341 1.595 1.00 0.00 O ATOM 1861 OD2 ASP B 671 -13.842 12.532 3.240 1.00 0.00 O1- ATOM 0 H ASP B 671 -9.522 12.008 1.105 1.00 0.00 H new ATOM 0 HA ASP B 671 -10.618 11.846 3.000 1.00 0.00 H new ATOM 0 HB2 ASP B 671 -12.590 10.700 1.091 1.00 0.00 H new ATOM 0 HB3 ASP B 671 -12.870 10.308 2.776 1.00 0.00 H new ATOM 1866 N LEU B 672 -9.468 9.052 2.569 1.00 0.00 N ATOM 1867 CA LEU B 672 -9.035 7.791 3.131 1.00 0.00 C ATOM 1868 C LEU B 672 -7.986 8.018 4.217 1.00 0.00 C ATOM 1869 O LEU B 672 -6.904 8.537 3.944 1.00 0.00 O ATOM 1870 CB LEU B 672 -8.482 6.883 2.028 1.00 0.00 C ATOM 1871 CG LEU B 672 -7.926 5.548 2.523 1.00 0.00 C ATOM 1872 CD1 LEU B 672 -9.051 4.684 3.065 1.00 0.00 C ATOM 1873 CD2 LEU B 672 -7.178 4.825 1.415 1.00 0.00 C ATOM 0 H LEU B 672 -8.924 9.365 1.765 1.00 0.00 H new ATOM 0 HA LEU B 672 -9.895 7.300 3.587 1.00 0.00 H new ATOM 0 HB2 LEU B 672 -9.274 6.686 1.306 1.00 0.00 H new ATOM 0 HB3 LEU B 672 -7.693 7.416 1.498 1.00 0.00 H new ATOM 0 HG LEU B 672 -7.218 5.746 3.328 1.00 0.00 H new ATOM 0 HD11 LEU B 672 -8.645 3.735 3.415 1.00 0.00 H new ATOM 0 HD12 LEU B 672 -9.538 5.198 3.894 1.00 0.00 H new ATOM 0 HD13 LEU B 672 -9.779 4.498 2.276 1.00 0.00 H new ATOM 0 HD21 LEU B 672 -6.793 3.878 1.794 1.00 0.00 H new ATOM 0 HD22 LEU B 672 -7.856 4.634 0.583 1.00 0.00 H new ATOM 0 HD23 LEU B 672 -6.348 5.443 1.073 1.00 0.00 H new ATOM 1885 N PRO B 673 -8.301 7.651 5.470 1.00 0.00 N ATOM 1886 CA PRO B 673 -7.375 7.805 6.586 1.00 0.00 C ATOM 1887 C PRO B 673 -6.298 6.726 6.579 1.00 0.00 C ATOM 1888 O PRO B 673 -6.582 5.549 6.350 1.00 0.00 O ATOM 1889 CB PRO B 673 -8.272 7.687 7.817 1.00 0.00 C ATOM 1890 CG PRO B 673 -9.439 6.867 7.380 1.00 0.00 C ATOM 1891 CD PRO B 673 -9.581 7.050 5.891 1.00 0.00 C ATOM 0 HA PRO B 673 -6.829 8.748 6.548 1.00 0.00 H new ATOM 0 HB2 PRO B 673 -7.744 7.210 8.643 1.00 0.00 H new ATOM 0 HB3 PRO B 673 -8.591 8.669 8.166 1.00 0.00 H new ATOM 0 HG2 PRO B 673 -9.284 5.816 7.625 1.00 0.00 H new ATOM 0 HG3 PRO B 673 -10.346 7.184 7.895 1.00 0.00 H new ATOM 0 HD2 PRO B 673 -9.757 6.099 5.389 1.00 0.00 H new ATOM 0 HD3 PRO B 673 -10.423 7.699 5.649 1.00 0.00 H new ATOM 1899 N CYS B 674 -5.058 7.134 6.807 1.00 0.00 N ATOM 1900 CA CYS B 674 -3.934 6.209 6.765 1.00 0.00 C ATOM 1901 C CYS B 674 -3.021 6.425 7.960 1.00 0.00 C ATOM 1902 O CYS B 674 -2.997 7.504 8.553 1.00 0.00 O ATOM 1903 CB CYS B 674 -3.143 6.407 5.466 1.00 0.00 C ATOM 1904 SG CYS B 674 -4.185 6.487 3.990 1.00 0.00 S ATOM 0 H CYS B 674 -4.805 8.098 7.023 1.00 0.00 H new ATOM 0 HA CYS B 674 -4.321 5.191 6.800 1.00 0.00 H new ATOM 0 HB2 CYS B 674 -2.562 7.326 5.541 1.00 0.00 H new ATOM 0 HB3 CYS B 674 -2.432 5.588 5.355 1.00 0.00 H new ATOM 0 HG CYS B 674 -5.159 7.324 4.191 1.00 0.00 H new ATOM 1910 N SER B 675 -2.305 5.382 8.329 1.00 0.00 N ATOM 1911 CA SER B 675 -1.249 5.486 9.313 1.00 0.00 C ATOM 1912 C SER B 675 -0.002 6.035 8.628 1.00 0.00 C ATOM 1913 O SER B 675 0.075 6.043 7.401 1.00 0.00 O ATOM 1914 CB SER B 675 -0.985 4.113 9.932 1.00 0.00 C ATOM 1915 OG SER B 675 -2.182 3.561 10.461 1.00 0.00 O ATOM 0 H SER B 675 -2.439 4.442 7.956 1.00 0.00 H new ATOM 0 HA SER B 675 -1.538 6.163 10.117 1.00 0.00 H new ATOM 0 HB2 SER B 675 -0.572 3.443 9.179 1.00 0.00 H new ATOM 0 HB3 SER B 675 -0.240 4.202 10.722 1.00 0.00 H new ATOM 0 HG SER B 675 -2.698 3.147 9.738 1.00 0.00 H new ATOM 1921 N LYS B 676 0.948 6.536 9.393 1.00 0.00 N ATOM 1922 CA LYS B 676 2.129 7.132 8.795 1.00 0.00 C ATOM 1923 C LYS B 676 3.080 6.067 8.263 1.00 0.00 C ATOM 1924 O LYS B 676 3.596 5.242 9.016 1.00 0.00 O ATOM 1925 CB LYS B 676 2.866 8.031 9.785 1.00 0.00 C ATOM 1926 CG LYS B 676 4.085 8.698 9.172 1.00 0.00 C ATOM 1927 CD LYS B 676 3.702 9.548 7.966 1.00 0.00 C ATOM 1928 CE LYS B 676 4.921 10.197 7.322 1.00 0.00 C ATOM 1929 NZ LYS B 676 5.588 11.174 8.227 1.00 0.00 N1+ ATOM 0 H LYS B 676 0.929 6.544 10.413 1.00 0.00 H new ATOM 0 HA LYS B 676 1.785 7.743 7.961 1.00 0.00 H new ATOM 0 HB2 LYS B 676 2.183 8.797 10.152 1.00 0.00 H new ATOM 0 HB3 LYS B 676 3.175 7.440 10.647 1.00 0.00 H new ATOM 0 HG2 LYS B 676 4.575 9.322 9.919 1.00 0.00 H new ATOM 0 HG3 LYS B 676 4.805 7.938 8.870 1.00 0.00 H new ATOM 0 HD2 LYS B 676 3.190 8.927 7.231 1.00 0.00 H new ATOM 0 HD3 LYS B 676 2.999 10.321 8.275 1.00 0.00 H new ATOM 0 HE2 LYS B 676 5.634 9.423 7.038 1.00 0.00 H new ATOM 0 HE3 LYS B 676 4.618 10.703 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 6.325 11.686 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 4.885 11.851 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 6.021 10.668 9.026 1.00 0.00 H new ATOM 1943 N LEU B 677 3.299 6.102 6.959 1.00 0.00 N ATOM 1944 CA LEU B 677 4.259 5.219 6.315 1.00 0.00 C ATOM 1945 C LEU B 677 5.644 5.850 6.430 1.00 0.00 C ATOM 1946 O LEU B 677 5.896 6.918 5.867 1.00 0.00 O ATOM 1947 CB LEU B 677 3.854 5.006 4.843 1.00 0.00 C ATOM 1948 CG LEU B 677 4.560 3.889 4.062 1.00 0.00 C ATOM 1949 CD1 LEU B 677 6.015 4.231 3.769 1.00 0.00 C ATOM 1950 CD2 LEU B 677 4.455 2.577 4.813 1.00 0.00 C ATOM 0 H LEU B 677 2.821 6.738 6.321 1.00 0.00 H new ATOM 0 HA LEU B 677 4.276 4.242 6.799 1.00 0.00 H new ATOM 0 HB2 LEU B 677 2.782 4.808 4.815 1.00 0.00 H new ATOM 0 HB3 LEU B 677 4.019 5.943 4.311 1.00 0.00 H new ATOM 0 HG LEU B 677 4.056 3.787 3.101 1.00 0.00 H new ATOM 0 HD11 LEU B 677 6.476 3.414 3.215 1.00 0.00 H new ATOM 0 HD12 LEU B 677 6.062 5.144 3.175 1.00 0.00 H new ATOM 0 HD13 LEU B 677 6.550 4.381 4.707 1.00 0.00 H new ATOM 0 HD21 LEU B 677 4.960 1.793 4.248 1.00 0.00 H new ATOM 0 HD22 LEU B 677 4.925 2.679 5.791 1.00 0.00 H new ATOM 0 HD23 LEU B 677 3.405 2.314 4.940 1.00 0.00 H new ATOM 1962 N SER B 678 6.519 5.225 7.202 1.00 0.00 N ATOM 1963 CA SER B 678 7.856 5.753 7.416 1.00 0.00 C ATOM 1964 C SER B 678 8.872 4.643 7.654 1.00 0.00 C ATOM 1965 O SER B 678 8.523 3.548 8.094 1.00 0.00 O ATOM 1966 CB SER B 678 7.855 6.729 8.590 1.00 0.00 C ATOM 1967 OG SER B 678 6.999 7.827 8.328 1.00 0.00 O ATOM 0 H SER B 678 6.327 4.351 7.691 1.00 0.00 H new ATOM 0 HA SER B 678 8.152 6.281 6.509 1.00 0.00 H new ATOM 0 HB2 SER B 678 7.530 6.216 9.495 1.00 0.00 H new ATOM 0 HB3 SER B 678 8.868 7.087 8.773 1.00 0.00 H new ATOM 0 HG SER B 678 7.010 8.440 9.092 1.00 0.00 H new ATOM 1973 N VAL B 679 10.134 4.975 7.399 1.00 0.00 N ATOM 1974 CA VAL B 679 11.236 4.023 7.408 1.00 0.00 C ATOM 1975 C VAL B 679 11.205 3.085 8.615 1.00 0.00 C ATOM 1976 O VAL B 679 10.949 3.495 9.750 1.00 0.00 O ATOM 1977 CB VAL B 679 12.591 4.762 7.320 1.00 0.00 C ATOM 1978 CG1 VAL B 679 12.672 5.878 8.349 1.00 0.00 C ATOM 1979 CG2 VAL B 679 13.747 3.793 7.479 1.00 0.00 C ATOM 0 H VAL B 679 10.422 5.928 7.177 1.00 0.00 H new ATOM 0 HA VAL B 679 11.115 3.394 6.526 1.00 0.00 H new ATOM 0 HB VAL B 679 12.663 5.214 6.331 1.00 0.00 H new ATOM 0 HG11 VAL B 679 13.635 6.381 8.265 1.00 0.00 H new ATOM 0 HG12 VAL B 679 11.871 6.596 8.171 1.00 0.00 H new ATOM 0 HG13 VAL B 679 12.568 5.459 9.350 1.00 0.00 H new ATOM 0 HG21 VAL B 679 14.689 4.337 7.413 1.00 0.00 H new ATOM 0 HG22 VAL B 679 13.679 3.301 8.449 1.00 0.00 H new ATOM 0 HG23 VAL B 679 13.705 3.044 6.689 1.00 0.00 H new ATOM 1989 N GLY B 680 11.480 1.818 8.343 1.00 0.00 N ATOM 1990 CA GLY B 680 11.327 0.779 9.333 1.00 0.00 C ATOM 1991 C GLY B 680 10.087 -0.047 9.093 1.00 0.00 C ATOM 1992 O GLY B 680 9.822 -1.005 9.817 1.00 0.00 O ATOM 0 H GLY B 680 11.812 1.490 7.436 1.00 0.00 H new ATOM 0 HA2 GLY B 680 12.203 0.131 9.318 1.00 0.00 H new ATOM 0 HA3 GLY B 680 11.279 1.227 10.325 1.00 0.00 H new ATOM 1996 N ASP B 681 9.308 0.329 8.089 1.00 0.00 N ATOM 1997 CA ASP B 681 8.142 -0.457 7.728 1.00 0.00 C ATOM 1998 C ASP B 681 8.503 -1.422 6.612 1.00 0.00 C ATOM 1999 O ASP B 681 9.321 -1.109 5.753 1.00 0.00 O ATOM 2000 CB ASP B 681 6.952 0.423 7.283 1.00 0.00 C ATOM 2001 CG ASP B 681 7.164 1.147 5.974 1.00 0.00 C ATOM 2002 OD1 ASP B 681 7.079 0.497 4.911 1.00 0.00 O ATOM 2003 OD2 ASP B 681 7.378 2.372 6.006 1.00 0.00 O1- ATOM 0 H ASP B 681 9.460 1.161 7.519 1.00 0.00 H new ATOM 0 HA ASP B 681 7.831 -1.004 8.618 1.00 0.00 H new ATOM 0 HB2 ASP B 681 6.065 -0.204 7.197 1.00 0.00 H new ATOM 0 HB3 ASP B 681 6.749 1.158 8.062 1.00 0.00 H new ATOM 2008 N VAL B 682 7.956 -2.619 6.648 1.00 0.00 N ATOM 2009 CA VAL B 682 8.000 -3.453 5.478 1.00 0.00 C ATOM 2010 C VAL B 682 6.710 -3.295 4.695 1.00 0.00 C ATOM 2011 O VAL B 682 5.675 -3.780 5.107 1.00 0.00 O ATOM 2012 CB VAL B 682 8.281 -4.941 5.808 1.00 0.00 C ATOM 2013 CG1 VAL B 682 7.575 -5.397 7.038 1.00 0.00 C ATOM 2014 CG2 VAL B 682 7.942 -5.838 4.644 1.00 0.00 C ATOM 0 H VAL B 682 7.487 -3.025 7.458 1.00 0.00 H new ATOM 0 HA VAL B 682 8.839 -3.122 4.865 1.00 0.00 H new ATOM 0 HB VAL B 682 9.351 -5.013 6.001 1.00 0.00 H new ATOM 0 HG11 VAL B 682 7.807 -6.446 7.223 1.00 0.00 H new ATOM 0 HG12 VAL B 682 7.902 -4.798 7.888 1.00 0.00 H new ATOM 0 HG13 VAL B 682 6.499 -5.281 6.904 1.00 0.00 H new ATOM 0 HG21 VAL B 682 8.151 -6.874 4.910 1.00 0.00 H new ATOM 0 HG22 VAL B 682 6.885 -5.733 4.399 1.00 0.00 H new ATOM 0 HG23 VAL B 682 8.544 -5.557 3.780 1.00 0.00 H new ATOM 2024 N CYS B 683 6.773 -2.604 3.570 1.00 0.00 N ATOM 2025 CA CYS B 683 5.580 -2.351 2.783 1.00 0.00 C ATOM 2026 C CYS B 683 5.102 -3.608 2.088 1.00 0.00 C ATOM 2027 O CYS B 683 5.894 -4.438 1.636 1.00 0.00 O ATOM 2028 CB CYS B 683 5.813 -1.251 1.750 1.00 0.00 C ATOM 2029 SG CYS B 683 5.674 0.428 2.403 1.00 0.00 S ATOM 0 H CYS B 683 7.631 -2.211 3.184 1.00 0.00 H new ATOM 0 HA CYS B 683 4.809 -2.018 3.478 1.00 0.00 H new ATOM 0 HB2 CYS B 683 6.806 -1.379 1.319 1.00 0.00 H new ATOM 0 HB3 CYS B 683 5.095 -1.373 0.939 1.00 0.00 H new ATOM 0 HG CYS B 683 6.259 0.493 3.562 1.00 0.00 H new ATOM 2035 N ILE B 684 3.797 -3.732 2.028 1.00 0.00 N ATOM 2036 CA ILE B 684 3.150 -4.809 1.322 1.00 0.00 C ATOM 2037 C ILE B 684 3.020 -4.438 -0.140 1.00 0.00 C ATOM 2038 O ILE B 684 2.186 -3.611 -0.506 1.00 0.00 O ATOM 2039 CB ILE B 684 1.734 -5.095 1.870 1.00 0.00 C ATOM 2040 CG1 ILE B 684 1.804 -5.698 3.264 1.00 0.00 C ATOM 2041 CG2 ILE B 684 0.965 -6.014 0.930 1.00 0.00 C ATOM 2042 CD1 ILE B 684 0.450 -5.847 3.924 1.00 0.00 C ATOM 0 H ILE B 684 3.150 -3.081 2.473 1.00 0.00 H new ATOM 0 HA ILE B 684 3.762 -5.701 1.456 1.00 0.00 H new ATOM 0 HB ILE B 684 1.201 -4.146 1.934 1.00 0.00 H new ATOM 0 HG12 ILE B 684 2.281 -6.677 3.205 1.00 0.00 H new ATOM 0 HG13 ILE B 684 2.439 -5.072 3.891 1.00 0.00 H new ATOM 0 HG21 ILE B 684 -0.029 -6.201 1.337 1.00 0.00 H new ATOM 0 HG22 ILE B 684 0.874 -5.541 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE B 684 1.499 -6.959 0.827 1.00 0.00 H new ATOM 0 HD11 ILE B 684 0.574 -6.283 4.915 1.00 0.00 H new ATOM 0 HD12 ILE B 684 -0.020 -4.868 4.015 1.00 0.00 H new ATOM 0 HD13 ILE B 684 -0.181 -6.498 3.318 1.00 0.00 H new ATOM 2054 N SER B 685 3.859 -5.002 -0.966 1.00 0.00 N ATOM 2055 CA SER B 685 3.680 -4.855 -2.384 1.00 0.00 C ATOM 2056 C SER B 685 3.095 -6.134 -2.941 1.00 0.00 C ATOM 2057 O SER B 685 3.675 -7.209 -2.817 1.00 0.00 O ATOM 2058 CB SER B 685 4.992 -4.463 -3.047 1.00 0.00 C ATOM 2059 OG SER B 685 5.354 -3.157 -2.632 1.00 0.00 O ATOM 0 H SER B 685 4.665 -5.561 -0.686 1.00 0.00 H new ATOM 0 HA SER B 685 2.979 -4.049 -2.598 1.00 0.00 H new ATOM 0 HB2 SER B 685 5.775 -5.172 -2.779 1.00 0.00 H new ATOM 0 HB3 SER B 685 4.889 -4.497 -4.132 1.00 0.00 H new ATOM 0 HG SER B 685 6.200 -2.902 -3.056 1.00 0.00 H new ATOM 2065 N LEU B 686 1.923 -6.016 -3.527 1.00 0.00 N ATOM 2066 CA LEU B 686 1.155 -7.175 -3.902 1.00 0.00 C ATOM 2067 C LEU B 686 1.447 -7.550 -5.343 1.00 0.00 C ATOM 2068 O LEU B 686 1.555 -6.688 -6.212 1.00 0.00 O ATOM 2069 CB LEU B 686 -0.333 -6.879 -3.701 1.00 0.00 C ATOM 2070 CG LEU B 686 -1.161 -8.003 -3.069 1.00 0.00 C ATOM 2071 CD1 LEU B 686 -1.300 -9.173 -4.018 1.00 0.00 C ATOM 2072 CD2 LEU B 686 -0.547 -8.465 -1.752 1.00 0.00 C ATOM 0 H LEU B 686 1.483 -5.124 -3.753 1.00 0.00 H new ATOM 0 HA LEU B 686 1.433 -8.021 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU B 686 -0.425 -5.991 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU B 686 -0.769 -6.634 -4.670 1.00 0.00 H new ATOM 0 HG LEU B 686 -2.154 -7.603 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU B 686 -1.892 -9.957 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU B 686 -1.797 -8.844 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU B 686 -0.312 -9.562 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU B 686 -1.156 -9.263 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU B 686 0.462 -8.835 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU B 686 -0.508 -7.628 -1.055 1.00 0.00 H new ATOM 2084 N THR B 687 1.591 -8.837 -5.580 1.00 0.00 N ATOM 2085 CA THR B 687 1.854 -9.343 -6.905 1.00 0.00 C ATOM 2086 C THR B 687 0.553 -9.818 -7.533 1.00 0.00 C ATOM 2087 O THR B 687 -0.101 -10.726 -7.016 1.00 0.00 O ATOM 2088 CB THR B 687 2.855 -10.509 -6.838 1.00 0.00 C ATOM 2089 OG1 THR B 687 4.003 -10.115 -6.074 1.00 0.00 O ATOM 2090 CG2 THR B 687 3.288 -10.938 -8.229 1.00 0.00 C ATOM 0 H THR B 687 1.529 -9.557 -4.860 1.00 0.00 H new ATOM 0 HA THR B 687 2.283 -8.546 -7.513 1.00 0.00 H new ATOM 0 HB THR B 687 2.365 -11.355 -6.357 1.00 0.00 H new ATOM 0 HG1 THR B 687 4.639 -10.860 -6.031 1.00 0.00 H new ATOM 0 HG21 THR B 687 3.995 -11.764 -8.151 1.00 0.00 H new ATOM 0 HG22 THR B 687 2.416 -11.260 -8.798 1.00 0.00 H new ATOM 0 HG23 THR B 687 3.764 -10.099 -8.737 1.00 0.00 H new ATOM 2098 N LEU B 688 0.177 -9.190 -8.635 1.00 0.00 N ATOM 2099 CA LEU B 688 -1.078 -9.504 -9.294 1.00 0.00 C ATOM 2100 C LEU B 688 -0.793 -10.325 -10.541 1.00 0.00 C ATOM 2101 O LEU B 688 -0.447 -9.780 -11.586 1.00 0.00 O ATOM 2102 CB LEU B 688 -1.848 -8.225 -9.680 1.00 0.00 C ATOM 2103 CG LEU B 688 -2.109 -7.194 -8.562 1.00 0.00 C ATOM 2104 CD1 LEU B 688 -2.701 -7.844 -7.320 1.00 0.00 C ATOM 2105 CD2 LEU B 688 -0.841 -6.433 -8.214 1.00 0.00 C ATOM 0 H LEU B 688 0.724 -8.460 -9.091 1.00 0.00 H new ATOM 0 HA LEU B 688 -1.699 -10.072 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU B 688 -1.297 -7.726 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU B 688 -2.810 -8.523 -10.096 1.00 0.00 H new ATOM 0 HG LEU B 688 -2.843 -6.485 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU B 688 -2.870 -7.084 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU B 688 -3.648 -8.319 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU B 688 -2.010 -8.595 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU B 688 -1.054 -5.713 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU B 688 -0.079 -7.133 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU B 688 -0.479 -5.906 -9.097 1.00 0.00 H new ATOM 2117 N LYS B 689 -0.923 -11.634 -10.427 1.00 0.00 N ATOM 2118 CA LYS B 689 -0.630 -12.520 -11.538 1.00 0.00 C ATOM 2119 C LYS B 689 -1.747 -12.489 -12.570 1.00 0.00 C ATOM 2120 O LYS B 689 -2.814 -13.081 -12.315 1.00 0.00 O ATOM 2121 CB LYS B 689 -0.388 -13.936 -11.036 1.00 0.00 C ATOM 2122 CG LYS B 689 0.985 -14.120 -10.415 1.00 0.00 C ATOM 2123 CD LYS B 689 2.099 -13.857 -11.418 1.00 0.00 C ATOM 2124 CE LYS B 689 2.037 -14.815 -12.598 1.00 0.00 C ATOM 2125 NZ LYS B 689 3.041 -14.476 -13.637 1.00 0.00 N1+ ATOM 2126 OXT LYS B 689 -1.556 -11.861 -13.634 1.00 0.00 O ATOM 0 H LYS B 689 -1.229 -12.107 -9.577 1.00 0.00 H new ATOM 0 HA LYS B 689 0.279 -12.170 -12.026 1.00 0.00 H new ATOM 0 HB2 LYS B 689 -1.150 -14.189 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS B 689 -0.502 -14.634 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS B 689 1.093 -13.445 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS B 689 1.076 -15.135 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS B 689 2.028 -12.831 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS B 689 3.065 -13.954 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS B 689 2.206 -15.834 -12.248 1.00 0.00 H new ATOM 0 HE3 LYS B 689 1.039 -14.789 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 689 2.967 -15.151 -14.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 689 2.865 -13.513 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 689 3.995 -14.525 -13.227 1.00 0.00 H new