USER MOD reduce.3.24.130724 H: found=0, std=0, add=1244, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1247 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 585 CYS SG : rot -26:sc= -2.35! USER MOD Set 1.2: B 626 GLN : amide:sc= -0.437 X(o=-3.8,f=-4) USER MOD Set 1.3: B 628 GLN : amide:sc= 0.131 X(o=-3.8,f=-4) USER MOD Set 1.4: B 629 GLN : amide:sc= -1.1 K(o=-3.8,f=-6.5) USER MOD Set 2.1: B 563 LYS NZ :NH3+ -151:sc= 0.823 (180deg=-0.0632) USER MOD Set 2.2: B 567 ASN :FLIP amide:sc= -1.48 F(o=-7.8!,f=-0.66) USER MOD Set 3.1: B 545 MET CE :methyl 170:sc= -1.13 (180deg=-1.31) USER MOD Set 3.2: B 587 THR OG1 : rot -79:sc= -0.203 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0325 F(o=-1!,f=-0.032) USER MOD Single : A 8 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.48) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc=-0.00693 F(o=-1,f=-0.0069) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0575 (180deg=-0.344) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 8:sc= -0.878 USER MOD Single : B 505 SER OG : rot 30:sc= 0.342 USER MOD Single : B 508 MET CE :methyl -122:sc= 0 (180deg=-1.26) USER MOD Single : B 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 514 LYS NZ :NH3+ -162:sc= -0.0495 (180deg=-0.371) USER MOD Single : B 519 THR OG1 : rot -17:sc= 0.975 USER MOD Single : B 522 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 528 CYS SG : rot 144:sc= -1.94! USER MOD Single : B 530 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 534 LYS NZ :NH3+ 167:sc= -0.0169 (180deg=-0.195) USER MOD Single : B 536 ASN : amide:sc= -2.54 K(o=-2.5,f=-4.1!) USER MOD Single : B 537 LYS NZ :NH3+ -125:sc= 0.906 (180deg=-2.34!) USER MOD Single : B 542 SER OG : rot 73:sc= 0.739 USER MOD Single : B 543 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.6!) USER MOD Single : B 546 TYR OH : rot 180:sc= 0 USER MOD Single : B 550 GLN : amide:sc= -0.0442 X(o=-0.044,f=-0.1) USER MOD Single : B 551 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=-0.24) USER MOD Single : B 560 LYS NZ :NH3+ 161:sc= -1.28 (180deg=-1.82) USER MOD Single : B 564 THR OG1 : rot 4:sc= 0.211 USER MOD Single : B 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= 0.622 K(o=0.65,f=-3.5!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 577 HIS : no HE2:sc= -7.04! C(o=-7!,f=-10!) USER MOD Single : B 581 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 583 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 590 LYS NZ :NH3+ 170:sc= -1.3 (180deg=-1.65) USER MOD Single : B 593 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 CYS SG : rot -59:sc= -0.25 USER MOD Single : B 598 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-4.3!) USER MOD Single : B 601 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 603 GLN : amide:sc= -0.565 K(o=-0.57,f=-1.8) USER MOD Single : B 608 MET CE :methyl -121:sc= -0.806 (180deg=-1.67) USER MOD Single : B 616 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 617 ASN :FLIP amide:sc= -0.289 F(o=-2.2!,f=-0.29) USER MOD Single : B 619 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 620 THR OG1 : rot 180:sc= 0 USER MOD Single : B 623 CYS SG : rot -106:sc= 0.271 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.299 14.864 19.976 1.00 9.86 N ATOM 2 CA GLY A 1 14.762 14.733 20.221 1.00 9.49 C ATOM 3 C GLY A 1 15.585 15.569 19.260 1.00 8.77 C ATOM 4 O GLY A 1 16.087 16.633 19.624 1.00 8.88 O ATOM 0 H1 GLY A 1 12.779 14.275 20.657 1.00 9.86 H new ATOM 0 H2 GLY A 1 13.015 15.858 20.091 1.00 9.86 H new ATOM 0 H3 GLY A 1 13.080 14.551 19.009 1.00 9.86 H new ATOM 0 HA2 GLY A 1 14.985 15.035 21.244 1.00 9.49 H new ATOM 0 HA3 GLY A 1 15.051 13.686 20.128 1.00 9.49 H new ATOM 10 N SER A 2 15.724 15.084 18.030 1.00 8.31 N ATOM 11 CA SER A 2 16.491 15.789 17.010 1.00 7.88 C ATOM 12 C SER A 2 15.751 15.789 15.677 1.00 7.19 C ATOM 13 O SER A 2 16.362 15.652 14.615 1.00 7.34 O ATOM 14 CB SER A 2 17.868 15.143 16.842 1.00 8.41 C ATOM 15 OG SER A 2 18.598 15.174 18.055 1.00 8.78 O ATOM 0 H SER A 2 15.315 14.204 17.716 1.00 8.31 H new ATOM 0 HA SER A 2 16.618 16.822 17.334 1.00 7.88 H new ATOM 0 HB2 SER A 2 17.751 14.111 16.511 1.00 8.41 H new ATOM 0 HB3 SER A 2 18.426 15.666 16.065 1.00 8.41 H new ATOM 0 HG SER A 2 19.473 14.754 17.921 1.00 8.78 H new ATOM 21 N ALA A 3 14.430 15.940 15.741 1.00 6.75 N ATOM 22 CA ALA A 3 13.600 15.959 14.543 1.00 6.38 C ATOM 23 C ALA A 3 13.752 14.666 13.744 1.00 5.72 C ATOM 24 O ALA A 3 13.570 14.652 12.527 1.00 5.87 O ATOM 25 CB ALA A 3 13.950 17.163 13.679 1.00 6.82 C ATOM 0 H ALA A 3 13.912 16.051 16.613 1.00 6.75 H new ATOM 0 HA ALA A 3 12.558 16.039 14.854 1.00 6.38 H new ATOM 0 HB1 ALA A 3 13.323 17.166 12.787 1.00 6.82 H new ATOM 0 HB2 ALA A 3 13.780 18.079 14.245 1.00 6.82 H new ATOM 0 HB3 ALA A 3 14.998 17.108 13.385 1.00 6.82 H new ATOM 31 N SER A 4 14.084 13.581 14.440 1.00 5.38 N ATOM 32 CA SER A 4 14.266 12.283 13.797 1.00 5.10 C ATOM 33 C SER A 4 12.998 11.438 13.891 1.00 4.43 C ATOM 34 O SER A 4 12.344 11.396 14.934 1.00 4.55 O ATOM 35 CB SER A 4 15.439 11.536 14.435 1.00 5.78 C ATOM 36 OG SER A 4 15.632 10.272 13.824 1.00 6.25 O ATOM 0 H SER A 4 14.232 13.575 15.449 1.00 5.38 H new ATOM 0 HA SER A 4 14.482 12.458 12.743 1.00 5.10 H new ATOM 0 HB2 SER A 4 16.347 12.131 14.341 1.00 5.78 H new ATOM 0 HB3 SER A 4 15.253 11.404 15.501 1.00 5.78 H new ATOM 0 HG SER A 4 16.388 9.816 14.248 1.00 6.25 H new ATOM 42 N GLY A 5 12.660 10.765 12.793 1.00 4.12 N ATOM 43 CA GLY A 5 11.473 9.927 12.766 1.00 3.78 C ATOM 44 C GLY A 5 10.316 10.578 12.030 1.00 3.46 C ATOM 45 O GLY A 5 9.815 11.621 12.449 1.00 3.82 O ATOM 0 H GLY A 5 13.188 10.786 11.921 1.00 4.12 H new ATOM 0 HA2 GLY A 5 11.714 8.977 12.289 1.00 3.78 H new ATOM 0 HA3 GLY A 5 11.168 9.702 13.788 1.00 3.78 H new ATOM 49 N ASN A 6 9.893 9.959 10.930 1.00 3.11 N ATOM 50 CA ASN A 6 8.787 10.483 10.132 1.00 2.93 C ATOM 51 C ASN A 6 8.026 9.347 9.452 1.00 2.42 C ATOM 52 O ASN A 6 6.798 9.285 9.520 1.00 2.39 O ATOM 53 CB ASN A 6 9.311 11.469 9.083 1.00 3.19 C ATOM 54 CG ASN A 6 8.269 12.489 8.653 1.00 3.56 C ATOM 55 OD1 ASN A 6 7.002 12.085 8.637 1.00 3.97 O flip ATOM 56 ND2 ASN A 6 8.599 13.630 8.332 1.00 4.03 N flip ATOM 0 H ASN A 6 10.299 9.095 10.571 1.00 3.11 H new ATOM 0 HA ASN A 6 8.101 11.007 10.798 1.00 2.93 H new ATOM 0 HB2 ASN A 6 10.179 11.992 9.485 1.00 3.19 H new ATOM 0 HB3 ASN A 6 9.651 10.914 8.208 1.00 3.19 H new ATOM 0 HD21 ASN A 6 9.582 13.903 8.357 1.00 4.03 H new ATOM 0 HD22 ASN A 6 7.890 14.303 8.041 1.00 4.03 H new ATOM 63 N LEU A 7 8.762 8.449 8.799 1.00 2.21 N ATOM 64 CA LEU A 7 8.155 7.316 8.105 1.00 1.95 C ATOM 65 C LEU A 7 7.280 6.500 9.052 1.00 2.03 C ATOM 66 O LEU A 7 6.291 5.897 8.635 1.00 2.04 O ATOM 67 CB LEU A 7 9.234 6.413 7.491 1.00 2.09 C ATOM 68 CG LEU A 7 9.913 6.947 6.222 1.00 1.70 C ATOM 69 CD1 LEU A 7 8.898 7.127 5.101 1.00 2.02 C ATOM 70 CD2 LEU A 7 10.632 8.258 6.508 1.00 2.01 C ATOM 0 H LEU A 7 9.779 8.485 8.736 1.00 2.21 H new ATOM 0 HA LEU A 7 7.529 7.715 7.306 1.00 1.95 H new ATOM 0 HB2 LEU A 7 10.002 6.235 8.243 1.00 2.09 H new ATOM 0 HB3 LEU A 7 8.784 5.447 7.260 1.00 2.09 H new ATOM 0 HG LEU A 7 10.652 6.214 5.899 1.00 1.70 H new ATOM 0 HD11 LEU A 7 9.401 7.506 4.212 1.00 2.02 H new ATOM 0 HD12 LEU A 7 8.433 6.168 4.874 1.00 2.02 H new ATOM 0 HD13 LEU A 7 8.132 7.836 5.414 1.00 2.02 H new ATOM 0 HD21 LEU A 7 11.106 8.619 5.596 1.00 2.01 H new ATOM 0 HD22 LEU A 7 9.913 8.998 6.861 1.00 2.01 H new ATOM 0 HD23 LEU A 7 11.392 8.097 7.273 1.00 2.01 H new ATOM 82 N ASN A 8 7.649 6.485 10.329 1.00 2.30 N ATOM 83 CA ASN A 8 6.896 5.742 11.333 1.00 2.54 C ATOM 84 C ASN A 8 5.473 6.280 11.455 1.00 2.33 C ATOM 85 O ASN A 8 4.532 5.523 11.693 1.00 2.42 O ATOM 86 CB ASN A 8 7.597 5.819 12.692 1.00 3.04 C ATOM 87 CG ASN A 8 7.660 7.233 13.233 1.00 3.36 C ATOM 88 OD1 ASN A 8 6.740 7.690 13.912 1.00 3.79 O ATOM 89 ND2 ASN A 8 8.748 7.933 12.937 1.00 3.72 N ATOM 0 H ASN A 8 8.464 6.979 10.693 1.00 2.30 H new ATOM 0 HA ASN A 8 6.848 4.701 11.014 1.00 2.54 H new ATOM 0 HB2 ASN A 8 7.071 5.184 13.405 1.00 3.04 H new ATOM 0 HB3 ASN A 8 8.609 5.424 12.598 1.00 3.04 H new ATOM 0 HD21 ASN A 8 8.846 8.890 13.276 1.00 3.72 H new ATOM 0 HD22 ASN A 8 9.486 7.514 12.371 1.00 3.72 H new ATOM 96 N GLU A 9 5.325 7.592 11.288 1.00 2.24 N ATOM 97 CA GLU A 9 4.017 8.233 11.378 1.00 2.25 C ATOM 98 C GLU A 9 3.201 7.984 10.112 1.00 1.83 C ATOM 99 O GLU A 9 1.975 7.876 10.167 1.00 1.95 O ATOM 100 CB GLU A 9 4.175 9.739 11.614 1.00 2.63 C ATOM 101 CG GLU A 9 2.855 10.477 11.764 1.00 3.15 C ATOM 102 CD GLU A 9 3.044 11.946 12.091 1.00 3.69 C ATOM 103 OE1 GLU A 9 3.243 12.744 11.150 1.00 4.17 O ATOM 104 OE2 GLU A 9 2.994 12.299 13.288 1.00 4.02 O ATOM 0 H GLU A 9 6.095 8.231 11.090 1.00 2.24 H new ATOM 0 HA GLU A 9 3.484 7.797 12.223 1.00 2.25 H new ATOM 0 HB2 GLU A 9 4.773 9.896 12.512 1.00 2.63 H new ATOM 0 HB3 GLU A 9 4.730 10.172 10.782 1.00 2.63 H new ATOM 0 HG2 GLU A 9 2.284 10.384 10.840 1.00 3.15 H new ATOM 0 HG3 GLU A 9 2.267 10.006 12.551 1.00 3.15 H new ATOM 111 N LEU A 10 3.885 7.897 8.974 1.00 1.57 N ATOM 112 CA LEU A 10 3.220 7.653 7.698 1.00 1.57 C ATOM 113 C LEU A 10 2.398 6.369 7.757 1.00 1.64 C ATOM 114 O LEU A 10 1.324 6.275 7.160 1.00 1.93 O ATOM 115 CB LEU A 10 4.248 7.564 6.564 1.00 1.77 C ATOM 116 CG LEU A 10 4.602 8.896 5.892 1.00 2.02 C ATOM 117 CD1 LEU A 10 5.276 9.838 6.879 1.00 2.38 C ATOM 118 CD2 LEU A 10 5.499 8.655 4.686 1.00 2.58 C ATOM 0 H LEU A 10 4.899 7.992 8.910 1.00 1.57 H new ATOM 0 HA LEU A 10 2.549 8.489 7.500 1.00 1.57 H new ATOM 0 HB2 LEU A 10 5.162 7.121 6.959 1.00 1.77 H new ATOM 0 HB3 LEU A 10 3.867 6.883 5.803 1.00 1.77 H new ATOM 0 HG LEU A 10 3.679 9.366 5.553 1.00 2.02 H new ATOM 0 HD11 LEU A 10 5.518 10.776 6.379 1.00 2.38 H new ATOM 0 HD12 LEU A 10 4.602 10.034 7.713 1.00 2.38 H new ATOM 0 HD13 LEU A 10 6.192 9.379 7.252 1.00 2.38 H new ATOM 0 HD21 LEU A 10 5.743 9.609 4.218 1.00 2.58 H new ATOM 0 HD22 LEU A 10 6.417 8.163 5.008 1.00 2.58 H new ATOM 0 HD23 LEU A 10 4.980 8.020 3.968 1.00 2.58 H new ATOM 130 N ALA A 11 2.910 5.381 8.488 1.00 1.78 N ATOM 131 CA ALA A 11 2.229 4.102 8.637 1.00 2.22 C ATOM 132 C ALA A 11 1.120 4.197 9.679 1.00 2.09 C ATOM 133 O ALA A 11 0.077 3.553 9.555 1.00 2.30 O ATOM 134 CB ALA A 11 3.226 3.019 9.018 1.00 2.84 C ATOM 0 H ALA A 11 3.797 5.445 8.987 1.00 1.78 H new ATOM 0 HA ALA A 11 1.774 3.840 7.682 1.00 2.22 H new ATOM 0 HB1 ALA A 11 2.706 2.067 9.127 1.00 2.84 H new ATOM 0 HB2 ALA A 11 3.984 2.932 8.239 1.00 2.84 H new ATOM 0 HB3 ALA A 11 3.705 3.281 9.962 1.00 2.84 H new ATOM 140 N LEU A 12 1.356 5.007 10.707 1.00 2.00 N ATOM 141 CA LEU A 12 0.380 5.200 11.773 1.00 2.17 C ATOM 142 C LEU A 12 -0.831 5.969 11.253 1.00 1.91 C ATOM 143 O LEU A 12 -1.908 5.931 11.848 1.00 2.14 O ATOM 144 CB LEU A 12 1.020 5.955 12.944 1.00 2.63 C ATOM 145 CG LEU A 12 0.116 6.169 14.160 1.00 3.09 C ATOM 146 CD1 LEU A 12 -0.237 4.837 14.809 1.00 3.67 C ATOM 147 CD2 LEU A 12 0.786 7.093 15.168 1.00 3.46 C ATOM 0 H LEU A 12 2.217 5.541 10.824 1.00 2.00 H new ATOM 0 HA LEU A 12 0.048 4.222 12.122 1.00 2.17 H new ATOM 0 HB2 LEU A 12 1.908 5.409 13.264 1.00 2.63 H new ATOM 0 HB3 LEU A 12 1.356 6.928 12.586 1.00 2.63 H new ATOM 0 HG LEU A 12 -0.807 6.640 13.821 1.00 3.09 H new ATOM 0 HD11 LEU A 12 -0.880 5.012 15.671 1.00 3.67 H new ATOM 0 HD12 LEU A 12 -0.759 4.208 14.088 1.00 3.67 H new ATOM 0 HD13 LEU A 12 0.676 4.337 15.133 1.00 3.67 H new ATOM 0 HD21 LEU A 12 0.128 7.234 16.026 1.00 3.46 H new ATOM 0 HD22 LEU A 12 1.725 6.650 15.499 1.00 3.46 H new ATOM 0 HD23 LEU A 12 0.985 8.058 14.701 1.00 3.46 H new ATOM 159 N LYS A 13 -0.643 6.662 10.134 1.00 1.79 N ATOM 160 CA LYS A 13 -1.714 7.446 9.528 1.00 2.05 C ATOM 161 C LYS A 13 -2.655 6.556 8.717 1.00 1.82 C ATOM 162 O LYS A 13 -3.801 6.924 8.455 1.00 2.14 O ATOM 163 CB LYS A 13 -1.128 8.539 8.630 1.00 2.54 C ATOM 164 CG LYS A 13 -2.157 9.548 8.143 1.00 3.11 C ATOM 165 CD LYS A 13 -2.729 10.364 9.294 1.00 3.66 C ATOM 166 CE LYS A 13 -3.840 11.287 8.822 1.00 4.38 C ATOM 167 NZ LYS A 13 -4.367 12.134 9.928 1.00 4.93 N ATOM 0 H LYS A 13 0.242 6.697 9.628 1.00 1.79 H new ATOM 0 HA LYS A 13 -2.287 7.910 10.331 1.00 2.05 H new ATOM 0 HB2 LYS A 13 -0.346 9.066 9.177 1.00 2.54 H new ATOM 0 HB3 LYS A 13 -0.653 8.072 7.767 1.00 2.54 H new ATOM 0 HG2 LYS A 13 -1.696 10.217 7.416 1.00 3.11 H new ATOM 0 HG3 LYS A 13 -2.965 9.026 7.629 1.00 3.11 H new ATOM 0 HD2 LYS A 13 -3.113 9.693 10.062 1.00 3.66 H new ATOM 0 HD3 LYS A 13 -1.935 10.953 9.754 1.00 3.66 H new ATOM 0 HE2 LYS A 13 -3.466 11.926 8.022 1.00 4.38 H new ATOM 0 HE3 LYS A 13 -4.651 10.693 8.402 1.00 4.38 H new ATOM 0 HZ1 LYS A 13 -5.123 12.749 9.564 1.00 4.93 H new ATOM 0 HZ2 LYS A 13 -4.748 11.525 10.680 1.00 4.93 H new ATOM 0 HZ3 LYS A 13 -3.599 12.720 10.313 1.00 4.93 H new ATOM 181 N LEU A 14 -2.165 5.383 8.322 1.00 1.64 N ATOM 182 CA LEU A 14 -2.963 4.442 7.538 1.00 1.80 C ATOM 183 C LEU A 14 -4.130 3.906 8.367 1.00 1.73 C ATOM 184 O LEU A 14 -5.030 3.252 7.842 1.00 1.92 O ATOM 185 CB LEU A 14 -2.087 3.283 7.047 1.00 2.37 C ATOM 186 CG LEU A 14 -2.336 2.831 5.601 1.00 2.77 C ATOM 187 CD1 LEU A 14 -1.300 1.801 5.177 1.00 3.27 C ATOM 188 CD2 LEU A 14 -3.739 2.261 5.444 1.00 3.08 C ATOM 0 H LEU A 14 -1.220 5.061 8.532 1.00 1.64 H new ATOM 0 HA LEU A 14 -3.366 4.969 6.673 1.00 1.80 H new ATOM 0 HB2 LEU A 14 -1.041 3.575 7.143 1.00 2.37 H new ATOM 0 HB3 LEU A 14 -2.241 2.430 7.707 1.00 2.37 H new ATOM 0 HG LEU A 14 -2.246 3.704 4.955 1.00 2.77 H new ATOM 0 HD11 LEU A 14 -1.493 1.493 4.149 1.00 3.27 H new ATOM 0 HD12 LEU A 14 -0.304 2.238 5.244 1.00 3.27 H new ATOM 0 HD13 LEU A 14 -1.360 0.933 5.834 1.00 3.27 H new ATOM 0 HD21 LEU A 14 -3.891 1.948 4.411 1.00 3.08 H new ATOM 0 HD22 LEU A 14 -3.859 1.402 6.105 1.00 3.08 H new ATOM 0 HD23 LEU A 14 -4.473 3.024 5.704 1.00 3.08 H new ATOM 200 N ALA A 15 -4.108 4.191 9.668 1.00 1.91 N ATOM 201 CA ALA A 15 -5.162 3.739 10.570 1.00 2.49 C ATOM 202 C ALA A 15 -6.541 4.128 10.047 1.00 2.42 C ATOM 203 O ALA A 15 -7.527 3.435 10.295 1.00 2.94 O ATOM 204 CB ALA A 15 -4.944 4.310 11.963 1.00 3.13 C ATOM 0 H ALA A 15 -3.371 4.733 10.120 1.00 1.91 H new ATOM 0 HA ALA A 15 -5.118 2.651 10.622 1.00 2.49 H new ATOM 0 HB1 ALA A 15 -5.737 3.965 12.626 1.00 3.13 H new ATOM 0 HB2 ALA A 15 -3.980 3.976 12.346 1.00 3.13 H new ATOM 0 HB3 ALA A 15 -4.958 5.399 11.916 1.00 3.13 H new ATOM 210 N GLY A 16 -6.602 5.240 9.320 1.00 2.11 N ATOM 211 CA GLY A 16 -7.864 5.696 8.767 1.00 2.47 C ATOM 212 C GLY A 16 -8.190 5.021 7.450 1.00 2.01 C ATOM 213 O GLY A 16 -8.430 3.814 7.408 1.00 2.42 O ATOM 0 H GLY A 16 -5.800 5.833 9.104 1.00 2.11 H new ATOM 0 HA2 GLY A 16 -8.664 5.500 9.481 1.00 2.47 H new ATOM 0 HA3 GLY A 16 -7.825 6.775 8.620 1.00 2.47 H new ATOM 217 N LEU A 17 -8.199 5.804 6.372 1.00 1.81 N ATOM 218 CA LEU A 17 -8.490 5.275 5.042 1.00 1.49 C ATOM 219 C LEU A 17 -9.834 4.552 5.027 1.00 1.60 C ATOM 220 O LEU A 17 -9.895 3.324 5.117 1.00 2.14 O ATOM 221 CB LEU A 17 -7.366 4.332 4.595 1.00 1.49 C ATOM 222 CG LEU A 17 -7.539 3.694 3.211 1.00 1.48 C ATOM 223 CD1 LEU A 17 -7.764 4.752 2.142 1.00 2.01 C ATOM 224 CD2 LEU A 17 -6.321 2.851 2.874 1.00 2.03 C ATOM 0 H LEU A 17 -8.008 6.806 6.394 1.00 1.81 H new ATOM 0 HA LEU A 17 -8.549 6.109 4.343 1.00 1.49 H new ATOM 0 HB2 LEU A 17 -6.428 4.887 4.604 1.00 1.49 H new ATOM 0 HB3 LEU A 17 -7.272 3.535 5.332 1.00 1.49 H new ATOM 0 HG LEU A 17 -8.421 3.054 3.237 1.00 1.48 H new ATOM 0 HD11 LEU A 17 -7.883 4.269 1.172 1.00 2.01 H new ATOM 0 HD12 LEU A 17 -8.663 5.321 2.377 1.00 2.01 H new ATOM 0 HD13 LEU A 17 -6.907 5.425 2.110 1.00 2.01 H new ATOM 0 HD21 LEU A 17 -6.451 2.401 1.890 1.00 2.03 H new ATOM 0 HD22 LEU A 17 -5.432 3.482 2.870 1.00 2.03 H new ATOM 0 HD23 LEU A 17 -6.205 2.065 3.620 1.00 2.03 H new ATOM 236 N ASP A 18 -10.912 5.323 4.914 1.00 1.65 N ATOM 237 CA ASP A 18 -12.257 4.761 4.887 1.00 2.11 C ATOM 238 C ASP A 18 -12.614 4.263 3.493 1.00 1.91 C ATOM 239 O ASP A 18 -12.245 4.874 2.490 1.00 2.04 O ATOM 240 CB ASP A 18 -13.277 5.804 5.345 1.00 2.91 C ATOM 241 CG ASP A 18 -13.070 6.222 6.786 1.00 3.44 C ATOM 242 OD1 ASP A 18 -12.095 6.952 7.059 1.00 3.79 O ATOM 243 OD2 ASP A 18 -13.885 5.820 7.644 1.00 3.92 O ATOM 0 H ASP A 18 -10.879 6.340 4.840 1.00 1.65 H new ATOM 0 HA ASP A 18 -12.281 3.913 5.571 1.00 2.11 H new ATOM 0 HB2 ASP A 18 -13.209 6.681 4.702 1.00 2.91 H new ATOM 0 HB3 ASP A 18 -14.283 5.400 5.228 1.00 2.91 H new ATOM 248 N ILE A 19 -13.336 3.149 3.440 1.00 2.16 N ATOM 249 CA ILE A 19 -13.749 2.560 2.173 1.00 2.28 C ATOM 250 C ILE A 19 -14.712 1.400 2.409 1.00 2.90 C ATOM 251 O ILE A 19 -15.497 1.039 1.530 1.00 3.25 O ATOM 252 CB ILE A 19 -12.531 2.066 1.362 1.00 2.05 C ATOM 253 CG1 ILE A 19 -12.964 1.546 -0.012 1.00 1.84 C ATOM 254 CG2 ILE A 19 -11.782 0.987 2.130 1.00 2.78 C ATOM 255 CD1 ILE A 19 -13.510 2.623 -0.925 1.00 1.64 C ATOM 0 H ILE A 19 -13.648 2.635 4.264 1.00 2.16 H new ATOM 0 HA ILE A 19 -14.256 3.336 1.600 1.00 2.28 H new ATOM 0 HB ILE A 19 -11.860 2.911 1.208 1.00 2.05 H new ATOM 0 HG12 ILE A 19 -12.111 1.070 -0.496 1.00 1.84 H new ATOM 0 HG13 ILE A 19 -13.724 0.777 0.123 1.00 1.84 H new ATOM 0 HG21 ILE A 19 -10.927 0.650 1.544 1.00 2.78 H new ATOM 0 HG22 ILE A 19 -11.434 1.392 3.080 1.00 2.78 H new ATOM 0 HG23 ILE A 19 -12.448 0.145 2.317 1.00 2.78 H new ATOM 0 HD11 ILE A 19 -13.796 2.181 -1.879 1.00 1.64 H new ATOM 0 HD12 ILE A 19 -14.383 3.084 -0.463 1.00 1.64 H new ATOM 0 HD13 ILE A 19 -12.745 3.381 -1.091 1.00 1.64 H new ATOM 267 N ASN A 20 -14.652 0.825 3.608 1.00 3.46 N ATOM 268 CA ASN A 20 -15.517 -0.294 3.968 1.00 4.28 C ATOM 269 C ASN A 20 -16.246 -0.018 5.280 1.00 4.91 C ATOM 270 O ASN A 20 -15.619 0.133 6.329 1.00 5.31 O ATOM 271 CB ASN A 20 -14.698 -1.582 4.085 1.00 4.79 C ATOM 272 CG ASN A 20 -15.540 -2.777 4.497 1.00 5.35 C ATOM 273 OD1 ASN A 20 -16.811 -2.772 4.112 1.00 5.63 O flip ATOM 274 ND2 ASN A 20 -15.052 -3.696 5.153 1.00 5.95 N flip ATOM 0 H ASN A 20 -14.012 1.117 4.347 1.00 3.46 H new ATOM 0 HA ASN A 20 -16.260 -0.415 3.180 1.00 4.28 H new ATOM 0 HB2 ASN A 20 -14.220 -1.792 3.128 1.00 4.79 H new ATOM 0 HB3 ASN A 20 -13.901 -1.436 4.814 1.00 4.79 H new ATOM 0 HD21 ASN A 20 -14.071 -3.661 5.429 1.00 5.95 H new ATOM 0 HD22 ASN A 20 -15.629 -4.493 5.421 1.00 5.95 H new ATOM 281 N LYS A 21 -17.573 0.048 5.207 1.00 5.40 N ATOM 282 CA LYS A 21 -18.411 0.306 6.379 1.00 6.25 C ATOM 283 C LYS A 21 -18.134 1.685 6.972 1.00 6.80 C ATOM 284 O LYS A 21 -17.047 1.945 7.489 1.00 7.04 O ATOM 285 CB LYS A 21 -18.192 -0.770 7.448 1.00 6.80 C ATOM 286 CG LYS A 21 -19.124 -0.636 8.643 1.00 7.47 C ATOM 287 CD LYS A 21 -18.787 -1.634 9.738 1.00 8.15 C ATOM 288 CE LYS A 21 -17.457 -1.311 10.405 1.00 8.86 C ATOM 289 NZ LYS A 21 -17.476 0.022 11.069 1.00 9.39 N ATOM 0 H LYS A 21 -18.097 -0.075 4.340 1.00 5.40 H new ATOM 0 HA LYS A 21 -19.449 0.277 6.049 1.00 6.25 H new ATOM 0 HB2 LYS A 21 -18.331 -1.753 6.997 1.00 6.80 H new ATOM 0 HB3 LYS A 21 -17.160 -0.722 7.795 1.00 6.80 H new ATOM 0 HG2 LYS A 21 -19.060 0.376 9.042 1.00 7.47 H new ATOM 0 HG3 LYS A 21 -20.154 -0.786 8.319 1.00 7.47 H new ATOM 0 HD2 LYS A 21 -19.579 -1.634 10.487 1.00 8.15 H new ATOM 0 HD3 LYS A 21 -18.748 -2.638 9.316 1.00 8.15 H new ATOM 0 HE2 LYS A 21 -17.225 -2.080 11.142 1.00 8.86 H new ATOM 0 HE3 LYS A 21 -16.662 -1.333 9.659 1.00 8.86 H new ATOM 0 HZ1 LYS A 21 -16.684 0.087 11.741 1.00 9.39 H new ATOM 0 HZ2 LYS A 21 -17.383 0.769 10.351 1.00 9.39 H new ATOM 0 HZ3 LYS A 21 -18.374 0.143 11.580 1.00 9.39 H new ATOM 303 N THR A 22 -19.129 2.565 6.895 1.00 7.34 N ATOM 304 CA THR A 22 -19.004 3.916 7.431 1.00 8.15 C ATOM 305 C THR A 22 -20.060 4.176 8.501 1.00 8.74 C ATOM 306 O THR A 22 -21.254 3.986 8.266 1.00 8.97 O ATOM 307 CB THR A 22 -19.137 4.979 6.323 1.00 8.62 C ATOM 308 OG1 THR A 22 -18.166 4.742 5.298 1.00 8.94 O ATOM 309 CG2 THR A 22 -18.948 6.380 6.889 1.00 8.92 C ATOM 0 H THR A 22 -20.032 2.365 6.465 1.00 7.34 H new ATOM 0 HA THR A 22 -18.011 3.992 7.874 1.00 8.15 H new ATOM 0 HB THR A 22 -20.139 4.906 5.901 1.00 8.62 H new ATOM 0 HG1 THR A 22 -18.258 5.421 4.597 1.00 8.94 H new ATOM 0 HG21 THR A 22 -19.046 7.112 6.088 1.00 8.92 H new ATOM 0 HG22 THR A 22 -19.705 6.570 7.650 1.00 8.92 H new ATOM 0 HG23 THR A 22 -17.957 6.461 7.335 1.00 8.92 H new ATOM 317 N GLU A 23 -19.614 4.609 9.675 1.00 9.21 N ATOM 318 CA GLU A 23 -20.521 4.892 10.782 1.00 9.98 C ATOM 319 C GLU A 23 -20.955 6.354 10.773 1.00 10.65 C ATOM 320 O GLU A 23 -21.997 6.706 11.327 1.00 10.93 O ATOM 321 CB GLU A 23 -19.851 4.556 12.115 1.00 10.36 C ATOM 322 CG GLU A 23 -18.579 5.346 12.375 1.00 10.79 C ATOM 323 CD GLU A 23 -17.955 5.021 13.717 1.00 11.31 C ATOM 324 OE1 GLU A 23 -17.157 4.063 13.784 1.00 11.54 O ATOM 325 OE2 GLU A 23 -18.264 5.725 14.702 1.00 11.67 O ATOM 0 H GLU A 23 -18.629 4.772 9.885 1.00 9.21 H new ATOM 0 HA GLU A 23 -21.407 4.269 10.660 1.00 9.98 H new ATOM 0 HB2 GLU A 23 -20.557 4.744 12.924 1.00 10.36 H new ATOM 0 HB3 GLU A 23 -19.618 3.491 12.136 1.00 10.36 H new ATOM 0 HG2 GLU A 23 -17.859 5.138 11.584 1.00 10.79 H new ATOM 0 HG3 GLU A 23 -18.802 6.412 12.331 1.00 10.79 H new ATOM 332 N GLY A 24 -20.149 7.200 10.139 1.00 11.11 N ATOM 333 CA GLY A 24 -20.466 8.615 10.070 1.00 11.93 C ATOM 334 C GLY A 24 -20.092 9.350 11.341 1.00 12.65 C ATOM 335 O GLY A 24 -18.911 9.483 11.663 1.00 12.86 O ATOM 0 H GLY A 24 -19.283 6.931 9.672 1.00 11.11 H new ATOM 0 HA2 GLY A 24 -19.941 9.062 9.226 1.00 11.93 H new ATOM 0 HA3 GLY A 24 -21.533 8.738 9.882 1.00 11.93 H new ATOM 339 N GLU A 25 -21.102 9.829 12.064 1.00 13.21 N ATOM 340 CA GLU A 25 -20.879 10.557 13.310 1.00 14.07 C ATOM 341 C GLU A 25 -19.947 11.745 13.087 1.00 14.60 C ATOM 342 O GLU A 25 -18.776 11.709 13.463 1.00 14.82 O ATOM 343 CB GLU A 25 -20.293 9.625 14.376 1.00 14.52 C ATOM 344 CG GLU A 25 -21.156 8.407 14.663 1.00 14.78 C ATOM 345 CD GLU A 25 -22.527 8.773 15.199 1.00 15.09 C ATOM 346 OE1 GLU A 25 -23.447 8.984 14.380 1.00 15.18 O ATOM 347 OE2 GLU A 25 -22.679 8.851 16.436 1.00 15.37 O ATOM 0 H GLU A 25 -22.084 9.726 11.808 1.00 13.21 H new ATOM 0 HA GLU A 25 -21.841 10.933 13.658 1.00 14.07 H new ATOM 0 HB2 GLU A 25 -19.307 9.292 14.053 1.00 14.52 H new ATOM 0 HB3 GLU A 25 -20.153 10.186 15.300 1.00 14.52 H new ATOM 0 HG2 GLU A 25 -21.272 7.825 13.748 1.00 14.78 H new ATOM 0 HG3 GLU A 25 -20.647 7.768 15.385 1.00 14.78 H new ATOM 354 N GLU A 26 -20.479 12.798 12.473 1.00 14.96 N ATOM 355 CA GLU A 26 -19.698 13.998 12.196 1.00 15.63 C ATOM 356 C GLU A 26 -19.455 14.794 13.473 1.00 16.22 C ATOM 357 O GLU A 26 -20.337 15.516 13.941 1.00 16.54 O ATOM 358 CB GLU A 26 -20.416 14.870 11.163 1.00 15.83 C ATOM 359 CG GLU A 26 -19.646 16.123 10.780 1.00 16.01 C ATOM 360 CD GLU A 26 -18.291 15.813 10.171 1.00 16.27 C ATOM 361 OE1 GLU A 26 -18.226 15.614 8.940 1.00 16.36 O ATOM 362 OE2 GLU A 26 -17.297 15.768 10.926 1.00 16.51 O ATOM 0 H GLU A 26 -21.448 12.844 12.158 1.00 14.96 H new ATOM 0 HA GLU A 26 -18.733 13.691 11.793 1.00 15.63 H new ATOM 0 HB2 GLU A 26 -20.599 14.279 10.266 1.00 15.83 H new ATOM 0 HB3 GLU A 26 -21.390 15.159 11.559 1.00 15.83 H new ATOM 0 HG2 GLU A 26 -20.235 16.704 10.070 1.00 16.01 H new ATOM 0 HG3 GLU A 26 -19.509 16.745 11.664 1.00 16.01 H new ATOM 369 N CYS A 27 -18.249 14.652 14.027 1.00 16.52 N ATOM 370 CA CYS A 27 -17.855 15.347 15.253 1.00 17.22 C ATOM 371 C CYS A 27 -19.003 15.409 16.261 1.00 17.60 C ATOM 372 O CYS A 27 -19.214 14.406 16.974 1.00 17.78 O ATOM 373 CB CYS A 27 -17.348 16.759 14.934 1.00 17.58 C ATOM 374 SG CYS A 27 -18.509 17.786 14.003 1.00 17.93 S ATOM 375 OXT CYS A 27 -19.677 16.458 16.332 1.00 17.86 O ATOM 0 H CYS A 27 -17.520 14.053 13.639 1.00 16.52 H new ATOM 0 HA CYS A 27 -17.045 14.776 15.707 1.00 17.22 H new ATOM 0 HB2 CYS A 27 -17.107 17.264 15.870 1.00 17.58 H new ATOM 0 HB3 CYS A 27 -16.420 16.678 14.367 1.00 17.58 H new ATOM 0 HG CYS A 27 -19.654 17.177 13.917 1.00 17.93 H new TER 381 CYS A 27 ATOM 382 N ILE B 504 6.402 10.438 -13.691 1.00 0.00 N ATOM 383 CA ILE B 504 7.761 10.964 -13.586 1.00 0.00 C ATOM 384 C ILE B 504 8.640 10.156 -12.645 1.00 0.00 C ATOM 385 O ILE B 504 9.750 10.579 -12.300 1.00 0.00 O ATOM 386 CB ILE B 504 7.754 12.433 -13.121 1.00 0.03 C ATOM 387 CG1 ILE B 504 7.065 12.563 -11.760 1.00 1.30 C ATOM 388 CG2 ILE B 504 7.065 13.311 -14.156 1.00 1.33 C ATOM 389 CD1 ILE B 504 7.222 13.930 -11.128 1.00 2.13 C ATOM 0 HA ILE B 504 8.182 10.891 -14.589 1.00 0.00 H new ATOM 0 HB ILE B 504 8.786 12.768 -13.014 1.00 0.03 H new ATOM 0 HG12 ILE B 504 6.003 12.346 -11.878 1.00 1.30 H new ATOM 0 HG13 ILE B 504 7.471 11.811 -11.084 1.00 1.30 H new ATOM 0 HG21 ILE B 504 7.067 14.346 -13.814 1.00 1.33 H new ATOM 0 HG22 ILE B 504 7.597 13.241 -15.105 1.00 1.33 H new ATOM 0 HG23 ILE B 504 6.037 12.976 -14.291 1.00 1.33 H new ATOM 0 HD11 ILE B 504 6.708 13.948 -10.167 1.00 2.13 H new ATOM 0 HD12 ILE B 504 8.281 14.142 -10.978 1.00 2.13 H new ATOM 0 HD13 ILE B 504 6.790 14.686 -11.784 1.00 2.13 H new ATOM 403 N SER B 505 8.155 8.985 -12.248 1.00 0.00 N ATOM 404 CA SER B 505 8.934 8.045 -11.436 1.00 0.00 C ATOM 405 C SER B 505 10.341 7.806 -12.001 1.00 0.00 C ATOM 406 O SER B 505 10.502 7.337 -13.131 1.00 0.00 O ATOM 407 CB SER B 505 8.194 6.712 -11.319 1.00 0.00 C ATOM 408 OG SER B 505 7.967 6.139 -12.595 1.00 1.29 O ATOM 0 H SER B 505 7.216 8.658 -12.476 1.00 0.00 H new ATOM 0 HA SER B 505 9.049 8.496 -10.450 1.00 0.00 H new ATOM 0 HB2 SER B 505 8.775 6.023 -10.706 1.00 0.00 H new ATOM 0 HB3 SER B 505 7.242 6.865 -10.811 1.00 0.00 H new ATOM 0 HG SER B 505 8.681 6.412 -13.208 1.00 1.29 H new ATOM 414 N GLY B 506 11.358 8.140 -11.217 1.00 0.00 N ATOM 415 CA GLY B 506 12.729 7.975 -11.662 1.00 0.00 C ATOM 416 C GLY B 506 13.331 9.211 -12.323 1.00 0.00 C ATOM 417 O GLY B 506 14.478 9.168 -12.766 1.00 0.00 O ATOM 0 H GLY B 506 11.258 8.524 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY B 506 13.345 7.699 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY B 506 12.772 7.144 -12.366 1.00 0.00 H new ATOM 421 N ALA B 507 12.573 10.304 -12.398 1.00 0.00 N ATOM 422 CA ALA B 507 13.104 11.546 -12.957 1.00 0.00 C ATOM 423 C ALA B 507 13.663 12.491 -11.869 1.00 0.00 C ATOM 424 O ALA B 507 14.277 13.523 -12.176 1.00 0.00 O ATOM 425 CB ALA B 507 12.026 12.258 -13.761 1.00 0.02 C ATOM 0 H ALA B 507 11.604 10.356 -12.084 1.00 0.00 H new ATOM 0 HA ALA B 507 13.935 11.277 -13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 507 12.431 13.182 -14.174 1.00 0.02 H new ATOM 0 HB2 ALA B 507 11.693 11.613 -14.574 1.00 0.02 H new ATOM 0 HB3 ALA B 507 11.181 12.490 -13.112 1.00 0.02 H new ATOM 431 N MET B 508 13.446 12.127 -10.606 1.00 0.00 N ATOM 432 CA MET B 508 14.016 12.841 -9.465 1.00 0.00 C ATOM 433 C MET B 508 15.055 12.003 -8.717 1.00 0.00 C ATOM 434 O MET B 508 15.077 10.781 -8.820 1.00 0.00 O ATOM 435 CB MET B 508 12.905 13.265 -8.504 1.00 0.01 C ATOM 436 CG MET B 508 11.927 14.260 -9.106 1.00 0.47 C ATOM 437 SD MET B 508 10.632 14.746 -7.949 1.00 1.65 S ATOM 438 CE MET B 508 9.676 15.869 -8.964 1.00 2.21 C ATOM 0 H MET B 508 12.869 11.327 -10.345 1.00 0.00 H new ATOM 0 HA MET B 508 14.524 13.722 -9.856 1.00 0.00 H new ATOM 0 HB2 MET B 508 12.357 12.379 -8.182 1.00 0.01 H new ATOM 0 HB3 MET B 508 13.354 13.704 -7.613 1.00 0.01 H new ATOM 0 HG2 MET B 508 12.471 15.147 -9.431 1.00 0.47 H new ATOM 0 HG3 MET B 508 11.470 13.823 -9.994 1.00 0.47 H new ATOM 0 HE1 MET B 508 9.632 16.846 -8.483 1.00 2.21 H new ATOM 0 HE2 MET B 508 10.147 15.966 -9.942 1.00 2.21 H new ATOM 0 HE3 MET B 508 8.665 15.479 -9.086 1.00 2.21 H new ATOM 448 N HIS B 509 15.907 12.683 -7.950 1.00 0.00 N ATOM 449 CA HIS B 509 16.893 12.033 -7.080 1.00 0.00 C ATOM 450 C HIS B 509 16.163 11.350 -5.921 1.00 0.00 C ATOM 451 O HIS B 509 15.268 11.946 -5.318 1.00 0.00 O ATOM 452 CB HIS B 509 17.899 13.054 -6.545 1.00 0.00 C ATOM 453 CG HIS B 509 18.692 13.729 -7.620 1.00 1.05 C ATOM 454 ND1 HIS B 509 18.343 14.951 -8.159 1.00 2.01 N ATOM 455 CD2 HIS B 509 19.827 13.352 -8.255 1.00 1.87 C ATOM 456 CE1 HIS B 509 19.227 15.294 -9.078 1.00 2.67 C ATOM 457 NE2 HIS B 509 20.139 14.342 -9.156 1.00 2.55 N ATOM 0 H HIS B 509 15.935 13.702 -7.913 1.00 0.00 H new ATOM 0 HA HIS B 509 17.444 11.289 -7.656 1.00 0.00 H new ATOM 0 HB2 HIS B 509 17.366 13.810 -5.968 1.00 0.00 H new ATOM 0 HB3 HIS B 509 18.583 12.554 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS B 509 20.384 12.442 -8.085 1.00 1.87 H new ATOM 0 HE1 HIS B 509 19.208 16.200 -9.666 1.00 2.67 H new ATOM 0 HE2 HIS B 509 20.944 14.341 -9.783 1.00 2.55 H new ATOM 466 N GLU B 510 16.541 10.104 -5.622 1.00 0.00 N ATOM 467 CA GLU B 510 15.835 9.284 -4.638 1.00 0.00 C ATOM 468 C GLU B 510 15.425 10.057 -3.386 1.00 0.00 C ATOM 469 O GLU B 510 14.347 9.831 -2.815 1.00 0.00 O ATOM 470 CB GLU B 510 16.699 8.085 -4.236 1.00 0.01 C ATOM 471 CG GLU B 510 17.987 8.463 -3.521 1.00 1.38 C ATOM 472 CD GLU B 510 18.967 9.192 -4.420 1.00 2.04 C ATOM 473 OE1 GLU B 510 19.718 8.513 -5.151 1.00 2.52 O ATOM 474 OE2 GLU B 510 18.982 10.440 -4.394 1.00 2.66 O ATOM 0 H GLU B 510 17.340 9.639 -6.053 1.00 0.00 H new ATOM 0 HA GLU B 510 14.917 8.949 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU B 510 16.115 7.430 -3.589 1.00 0.01 H new ATOM 0 HB3 GLU B 510 16.946 7.512 -5.130 1.00 0.01 H new ATOM 0 HG2 GLU B 510 17.750 9.093 -2.664 1.00 1.38 H new ATOM 0 HG3 GLU B 510 18.460 7.561 -3.132 1.00 1.38 H new ATOM 481 N GLU B 511 16.274 10.995 -2.988 1.00 0.00 N ATOM 482 CA GLU B 511 16.076 11.778 -1.770 1.00 0.00 C ATOM 483 C GLU B 511 14.972 12.819 -1.930 1.00 0.00 C ATOM 484 O GLU B 511 14.160 13.020 -1.025 1.00 0.00 O ATOM 485 CB GLU B 511 17.382 12.470 -1.376 1.00 0.01 C ATOM 486 CG GLU B 511 18.543 11.509 -1.178 1.00 1.31 C ATOM 487 CD GLU B 511 19.847 12.226 -0.886 1.00 1.88 C ATOM 488 OE1 GLU B 511 20.567 12.563 -1.849 1.00 2.44 O ATOM 489 OE2 GLU B 511 20.148 12.450 0.305 1.00 2.41 O ATOM 0 H GLU B 511 17.122 11.237 -3.500 1.00 0.00 H new ATOM 0 HA GLU B 511 15.769 11.087 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU B 511 17.647 13.193 -2.147 1.00 0.01 H new ATOM 0 HB3 GLU B 511 17.223 13.030 -0.454 1.00 0.01 H new ATOM 0 HG2 GLU B 511 18.313 10.831 -0.356 1.00 1.31 H new ATOM 0 HG3 GLU B 511 18.661 10.897 -2.072 1.00 1.31 H new ATOM 496 N ASP B 512 14.947 13.486 -3.079 1.00 0.00 N ATOM 497 CA ASP B 512 13.830 14.365 -3.417 1.00 0.00 C ATOM 498 C ASP B 512 12.545 13.569 -3.576 1.00 0.00 C ATOM 499 O ASP B 512 11.475 13.995 -3.146 1.00 0.00 O ATOM 500 CB ASP B 512 14.131 15.138 -4.702 1.00 0.00 C ATOM 501 CG ASP B 512 15.340 16.044 -4.563 1.00 1.11 C ATOM 502 OD1 ASP B 512 15.162 17.215 -4.165 1.00 1.03 O ATOM 503 OD2 ASP B 512 16.464 15.583 -4.852 1.00 2.08 O ATOM 0 H ASP B 512 15.680 13.437 -3.787 1.00 0.00 H new ATOM 0 HA ASP B 512 13.697 15.075 -2.600 1.00 0.00 H new ATOM 0 HB2 ASP B 512 14.301 14.433 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP B 512 13.262 15.736 -4.975 1.00 0.00 H new ATOM 508 N GLU B 513 12.672 12.403 -4.198 1.00 0.00 N ATOM 509 CA GLU B 513 11.567 11.494 -4.386 1.00 0.00 C ATOM 510 C GLU B 513 10.878 11.180 -3.059 1.00 0.00 C ATOM 511 O GLU B 513 9.658 11.244 -2.950 1.00 0.00 O ATOM 512 CB GLU B 513 12.044 10.200 -5.049 1.00 0.01 C ATOM 513 CG GLU B 513 12.507 10.388 -6.485 1.00 1.13 C ATOM 514 CD GLU B 513 12.900 9.082 -7.149 1.00 1.38 C ATOM 515 OE1 GLU B 513 11.999 8.375 -7.647 1.00 1.92 O ATOM 516 OE2 GLU B 513 14.108 8.765 -7.168 1.00 1.88 O ATOM 0 H GLU B 513 13.554 12.067 -4.586 1.00 0.00 H new ATOM 0 HA GLU B 513 10.843 11.981 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU B 513 12.863 9.782 -4.464 1.00 0.01 H new ATOM 0 HB3 GLU B 513 11.234 9.471 -5.030 1.00 0.01 H new ATOM 0 HG2 GLU B 513 11.710 10.858 -7.061 1.00 1.13 H new ATOM 0 HG3 GLU B 513 13.357 11.070 -6.502 1.00 1.13 H new ATOM 523 N LYS B 514 11.666 10.834 -2.052 1.00 0.00 N ATOM 524 CA LYS B 514 11.135 10.513 -0.728 1.00 0.00 C ATOM 525 C LYS B 514 10.273 11.633 -0.177 1.00 0.00 C ATOM 526 O LYS B 514 9.095 11.407 0.146 1.00 0.00 O ATOM 527 CB LYS B 514 12.293 10.221 0.230 1.00 0.03 C ATOM 528 CG LYS B 514 11.881 10.119 1.690 1.00 1.17 C ATOM 529 CD LYS B 514 13.072 9.804 2.579 1.00 1.23 C ATOM 530 CE LYS B 514 12.698 9.851 4.051 1.00 2.02 C ATOM 531 NZ LYS B 514 12.240 11.206 4.467 1.00 2.73 N ATOM 0 H LYS B 514 12.681 10.767 -2.124 1.00 0.00 H new ATOM 0 HA LYS B 514 10.501 9.631 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS B 514 12.770 9.287 -0.068 1.00 0.03 H new ATOM 0 HB3 LYS B 514 13.041 11.007 0.129 1.00 0.03 H new ATOM 0 HG2 LYS B 514 11.425 11.057 2.008 1.00 1.17 H new ATOM 0 HG3 LYS B 514 11.125 9.342 1.803 1.00 1.17 H new ATOM 0 HD2 LYS B 514 13.459 8.815 2.333 1.00 1.23 H new ATOM 0 HD3 LYS B 514 13.872 10.518 2.383 1.00 1.23 H new ATOM 0 HE2 LYS B 514 11.909 9.125 4.248 1.00 2.02 H new ATOM 0 HE3 LYS B 514 13.558 9.558 4.653 1.00 2.02 H new ATOM 0 HZ1 LYS B 514 12.287 11.285 5.503 1.00 2.73 H new ATOM 0 HZ2 LYS B 514 12.853 11.927 4.037 1.00 2.73 H new ATOM 0 HZ3 LYS B 514 11.260 11.353 4.152 1.00 2.73 H new ATOM 545 N ARG B 515 10.864 12.826 -0.071 1.00 0.00 N ATOM 546 CA ARG B 515 10.195 14.011 0.493 1.00 0.00 C ATOM 547 C ARG B 515 8.922 14.317 -0.249 1.00 0.00 C ATOM 548 O ARG B 515 7.936 14.768 0.328 1.00 0.00 O ATOM 549 CB ARG B 515 11.126 15.226 0.449 1.00 0.02 C ATOM 550 CG ARG B 515 10.592 16.421 1.223 1.00 1.32 C ATOM 551 CD ARG B 515 11.556 17.597 1.179 1.00 1.65 C ATOM 552 NE ARG B 515 11.668 18.164 -0.162 1.00 2.20 N ATOM 553 CZ ARG B 515 12.479 19.173 -0.473 1.00 2.85 C ATOM 554 NH1 ARG B 515 13.238 19.734 0.459 1.00 3.02 N ATOM 555 NH2 ARG B 515 12.526 19.626 -1.718 1.00 3.75 N ATOM 0 H ARG B 515 11.822 13.002 -0.373 1.00 0.00 H new ATOM 0 HA ARG B 515 9.947 13.790 1.531 1.00 0.00 H new ATOM 0 HB2 ARG B 515 12.098 14.945 0.854 1.00 0.02 H new ATOM 0 HB3 ARG B 515 11.285 15.516 -0.590 1.00 0.02 H new ATOM 0 HG2 ARG B 515 9.630 16.723 0.808 1.00 1.32 H new ATOM 0 HG3 ARG B 515 10.416 16.134 2.260 1.00 1.32 H new ATOM 0 HD2 ARG B 515 11.219 18.368 1.871 1.00 1.65 H new ATOM 0 HD3 ARG B 515 12.540 17.272 1.518 1.00 1.65 H new ATOM 0 HE ARG B 515 11.092 17.764 -0.903 1.00 2.20 H new ATOM 0 HH11 ARG B 515 13.202 19.393 1.420 1.00 3.02 H new ATOM 0 HH12 ARG B 515 13.858 20.507 0.215 1.00 3.02 H new ATOM 0 HH21 ARG B 515 11.941 19.202 -2.438 1.00 3.75 H new ATOM 0 HH22 ARG B 515 13.147 20.399 -1.956 1.00 3.75 H new ATOM 569 N PHE B 516 8.959 14.084 -1.550 1.00 0.00 N ATOM 570 CA PHE B 516 7.870 14.458 -2.417 1.00 0.00 C ATOM 571 C PHE B 516 6.700 13.479 -2.264 1.00 0.00 C ATOM 572 O PHE B 516 5.544 13.888 -2.145 1.00 0.00 O ATOM 573 CB PHE B 516 8.338 14.489 -3.874 1.00 0.01 C ATOM 574 CG PHE B 516 7.275 14.937 -4.837 1.00 0.66 C ATOM 575 CD1 PHE B 516 6.960 16.281 -4.966 1.00 1.12 C ATOM 576 CD2 PHE B 516 6.593 14.015 -5.613 1.00 1.15 C ATOM 577 CE1 PHE B 516 5.983 16.695 -5.851 1.00 1.67 C ATOM 578 CE2 PHE B 516 5.616 14.423 -6.500 1.00 1.70 C ATOM 579 CZ PHE B 516 5.307 15.768 -6.615 1.00 1.89 C ATOM 0 H PHE B 516 9.741 13.634 -2.026 1.00 0.00 H new ATOM 0 HA PHE B 516 7.532 15.454 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE B 516 9.196 15.156 -3.957 1.00 0.01 H new ATOM 0 HB3 PHE B 516 8.679 13.494 -4.159 1.00 0.01 H new ATOM 0 HD1 PHE B 516 7.484 17.012 -4.368 1.00 1.12 H new ATOM 0 HD2 PHE B 516 6.828 12.965 -5.524 1.00 1.15 H new ATOM 0 HE1 PHE B 516 5.749 17.745 -5.944 1.00 1.67 H new ATOM 0 HE2 PHE B 516 5.094 13.694 -7.103 1.00 1.70 H new ATOM 0 HZ PHE B 516 4.538 16.090 -7.302 1.00 1.89 H new ATOM 589 N LEU B 517 7.023 12.191 -2.257 1.00 0.00 N ATOM 590 CA LEU B 517 6.045 11.145 -2.060 1.00 0.00 C ATOM 591 C LEU B 517 5.449 11.158 -0.667 1.00 0.00 C ATOM 592 O LEU B 517 4.299 10.791 -0.494 1.00 0.00 O ATOM 593 CB LEU B 517 6.681 9.780 -2.340 1.00 0.02 C ATOM 594 CG LEU B 517 5.822 8.809 -3.158 1.00 1.00 C ATOM 595 CD1 LEU B 517 4.555 8.441 -2.402 1.00 1.77 C ATOM 596 CD2 LEU B 517 5.480 9.406 -4.515 1.00 1.90 C ATOM 0 H LEU B 517 7.975 11.849 -2.389 1.00 0.00 H new ATOM 0 HA LEU B 517 5.230 11.330 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU B 517 7.622 9.938 -2.867 1.00 0.02 H new ATOM 0 HB3 LEU B 517 6.924 9.309 -1.387 1.00 0.02 H new ATOM 0 HG LEU B 517 6.400 7.899 -3.319 1.00 1.00 H new ATOM 0 HD11 LEU B 517 3.961 7.751 -3.002 1.00 1.77 H new ATOM 0 HD12 LEU B 517 4.820 7.966 -1.458 1.00 1.77 H new ATOM 0 HD13 LEU B 517 3.975 9.342 -2.204 1.00 1.77 H new ATOM 0 HD21 LEU B 517 4.870 8.701 -5.079 1.00 1.90 H new ATOM 0 HD22 LEU B 517 4.926 10.334 -4.375 1.00 1.90 H new ATOM 0 HD23 LEU B 517 6.399 9.611 -5.064 1.00 1.90 H new ATOM 608 N VAL B 518 6.219 11.560 0.338 1.00 0.00 N ATOM 609 CA VAL B 518 5.647 11.607 1.674 1.00 0.00 C ATOM 610 C VAL B 518 4.590 12.696 1.722 1.00 0.00 C ATOM 611 O VAL B 518 3.569 12.542 2.392 1.00 0.00 O ATOM 612 CB VAL B 518 6.699 11.849 2.779 1.00 0.03 C ATOM 613 CG1 VAL B 518 7.559 13.056 2.460 1.00 1.40 C ATOM 614 CG2 VAL B 518 6.021 12.024 4.130 1.00 1.40 C ATOM 0 H VAL B 518 7.195 11.845 0.261 1.00 0.00 H new ATOM 0 HA VAL B 518 5.208 10.630 1.874 1.00 0.00 H new ATOM 0 HB VAL B 518 7.348 10.974 2.823 1.00 0.03 H new ATOM 0 HG11 VAL B 518 8.290 13.202 3.255 1.00 1.40 H new ATOM 0 HG12 VAL B 518 8.078 12.894 1.515 1.00 1.40 H new ATOM 0 HG13 VAL B 518 6.928 13.941 2.380 1.00 1.40 H new ATOM 0 HG21 VAL B 518 6.777 12.194 4.897 1.00 1.40 H new ATOM 0 HG22 VAL B 518 5.346 12.879 4.090 1.00 1.40 H new ATOM 0 HG23 VAL B 518 5.454 11.125 4.372 1.00 1.40 H new ATOM 624 N THR B 519 4.830 13.783 0.991 1.00 0.00 N ATOM 625 CA THR B 519 3.883 14.893 0.921 1.00 0.00 C ATOM 626 C THR B 519 2.639 14.551 0.080 1.00 0.00 C ATOM 627 O THR B 519 1.527 14.986 0.376 1.00 0.00 O ATOM 628 CB THR B 519 4.533 16.176 0.365 1.00 0.02 C ATOM 629 OG1 THR B 519 5.062 15.942 -0.943 1.00 1.10 O ATOM 630 CG2 THR B 519 5.642 16.663 1.285 1.00 1.18 C ATOM 0 H THR B 519 5.676 13.918 0.437 1.00 0.00 H new ATOM 0 HA THR B 519 3.569 15.073 1.949 1.00 0.00 H new ATOM 0 HB THR B 519 3.762 16.945 0.307 1.00 0.02 H new ATOM 0 HG1 THR B 519 5.140 14.977 -1.096 1.00 1.10 H new ATOM 0 HG21 THR B 519 6.086 17.569 0.872 1.00 1.18 H new ATOM 0 HG22 THR B 519 5.229 16.878 2.271 1.00 1.18 H new ATOM 0 HG23 THR B 519 6.407 15.892 1.372 1.00 1.18 H new ATOM 638 N VAL B 520 2.837 13.786 -0.984 1.00 0.00 N ATOM 639 CA VAL B 520 1.760 13.501 -1.911 1.00 0.00 C ATOM 640 C VAL B 520 0.731 12.563 -1.305 1.00 0.00 C ATOM 641 O VAL B 520 -0.475 12.779 -1.458 1.00 0.00 O ATOM 642 CB VAL B 520 2.294 12.888 -3.226 1.00 0.03 C ATOM 643 CG1 VAL B 520 1.151 12.361 -4.084 1.00 1.21 C ATOM 644 CG2 VAL B 520 3.111 13.912 -3.998 1.00 1.22 C ATOM 0 H VAL B 520 3.730 13.355 -1.223 1.00 0.00 H new ATOM 0 HA VAL B 520 1.281 14.455 -2.130 1.00 0.00 H new ATOM 0 HB VAL B 520 2.941 12.049 -2.971 1.00 0.03 H new ATOM 0 HG11 VAL B 520 1.553 11.935 -5.003 1.00 1.21 H new ATOM 0 HG12 VAL B 520 0.608 11.592 -3.534 1.00 1.21 H new ATOM 0 HG13 VAL B 520 0.473 13.179 -4.329 1.00 1.21 H new ATOM 0 HG21 VAL B 520 3.479 13.463 -4.921 1.00 1.22 H new ATOM 0 HG22 VAL B 520 2.485 14.772 -4.237 1.00 1.22 H new ATOM 0 HG23 VAL B 520 3.956 14.236 -3.390 1.00 1.22 H new ATOM 654 N ILE B 521 1.209 11.536 -0.601 1.00 0.00 N ATOM 655 CA ILE B 521 0.331 10.516 -0.062 1.00 0.00 C ATOM 656 C ILE B 521 -0.191 10.779 1.353 1.00 0.00 C ATOM 657 O ILE B 521 -1.278 10.309 1.712 1.00 0.00 O ATOM 658 CB ILE B 521 1.042 9.146 -0.063 1.00 0.02 C ATOM 659 CG1 ILE B 521 0.053 8.025 0.269 1.00 1.41 C ATOM 660 CG2 ILE B 521 2.195 9.153 0.932 1.00 1.40 C ATOM 661 CD1 ILE B 521 0.671 6.642 0.242 1.00 1.98 C ATOM 0 H ILE B 521 2.198 11.395 -0.395 1.00 0.00 H new ATOM 0 HA ILE B 521 -0.536 10.531 -0.722 1.00 0.00 H new ATOM 0 HB ILE B 521 1.442 8.963 -1.060 1.00 0.02 H new ATOM 0 HG12 ILE B 521 -0.369 8.206 1.257 1.00 1.41 H new ATOM 0 HG13 ILE B 521 -0.773 8.059 -0.442 1.00 1.41 H new ATOM 0 HG21 ILE B 521 2.689 8.182 0.923 1.00 1.40 H new ATOM 0 HG22 ILE B 521 2.911 9.927 0.654 1.00 1.40 H new ATOM 0 HG23 ILE B 521 1.811 9.356 1.932 1.00 1.40 H new ATOM 0 HD11 ILE B 521 -0.088 5.899 0.487 1.00 1.98 H new ATOM 0 HD12 ILE B 521 1.068 6.440 -0.753 1.00 1.98 H new ATOM 0 HD13 ILE B 521 1.478 6.590 0.973 1.00 1.98 H new ATOM 673 N LYS B 522 0.554 11.555 2.141 1.00 0.00 N ATOM 674 CA LYS B 522 0.085 11.987 3.460 1.00 0.00 C ATOM 675 C LYS B 522 -1.188 12.800 3.283 1.00 0.00 C ATOM 676 O LYS B 522 -2.117 12.738 4.094 1.00 0.00 O ATOM 677 CB LYS B 522 1.151 12.818 4.181 1.00 0.01 C ATOM 678 CG LYS B 522 1.403 14.179 3.547 1.00 1.10 C ATOM 679 CD LYS B 522 2.394 15.002 4.357 1.00 1.37 C ATOM 680 CE LYS B 522 1.835 15.362 5.724 1.00 2.02 C ATOM 681 NZ LYS B 522 2.747 16.263 6.479 1.00 2.57 N ATOM 0 H LYS B 522 1.482 11.897 1.891 1.00 0.00 H new ATOM 0 HA LYS B 522 -0.116 11.109 4.073 1.00 0.00 H new ATOM 0 HB2 LYS B 522 0.846 12.961 5.218 1.00 0.01 H new ATOM 0 HB3 LYS B 522 2.085 12.257 4.198 1.00 0.01 H new ATOM 0 HG2 LYS B 522 1.784 14.044 2.535 1.00 1.10 H new ATOM 0 HG3 LYS B 522 0.461 14.722 3.464 1.00 1.10 H new ATOM 0 HD2 LYS B 522 3.321 14.441 4.478 1.00 1.37 H new ATOM 0 HD3 LYS B 522 2.642 15.913 3.813 1.00 1.37 H new ATOM 0 HE2 LYS B 522 0.866 15.846 5.603 1.00 2.02 H new ATOM 0 HE3 LYS B 522 1.668 14.451 6.299 1.00 2.02 H new ATOM 0 HZ1 LYS B 522 2.328 16.484 7.405 1.00 2.57 H new ATOM 0 HZ2 LYS B 522 3.664 15.792 6.617 1.00 2.57 H new ATOM 0 HZ3 LYS B 522 2.887 17.143 5.943 1.00 2.57 H new ATOM 695 N ASP B 523 -1.244 13.555 2.197 1.00 0.00 N ATOM 696 CA ASP B 523 -2.403 14.404 1.966 1.00 0.00 C ATOM 697 C ASP B 523 -3.521 13.764 1.120 1.00 0.00 C ATOM 698 O ASP B 523 -4.665 14.192 1.202 1.00 0.00 O ATOM 699 CB ASP B 523 -1.961 15.712 1.309 1.00 0.01 C ATOM 700 CG ASP B 523 -1.090 16.556 2.221 1.00 1.28 C ATOM 701 OD1 ASP B 523 -1.643 17.222 3.122 1.00 1.70 O ATOM 702 OD2 ASP B 523 0.144 16.551 2.035 1.00 2.17 O ATOM 0 H ASP B 523 -0.521 13.599 1.478 1.00 0.00 H new ATOM 0 HA ASP B 523 -2.836 14.576 2.951 1.00 0.00 H new ATOM 0 HB2 ASP B 523 -1.413 15.488 0.394 1.00 0.01 H new ATOM 0 HB3 ASP B 523 -2.842 16.286 1.021 1.00 0.01 H new ATOM 707 N LEU B 524 -3.192 12.736 0.329 1.00 0.00 N ATOM 708 CA LEU B 524 -4.218 11.916 -0.325 1.00 0.00 C ATOM 709 C LEU B 524 -4.931 11.067 0.725 1.00 0.00 C ATOM 710 O LEU B 524 -6.148 11.005 0.749 1.00 0.00 O ATOM 711 CB LEU B 524 -3.599 11.022 -1.400 1.00 0.04 C ATOM 712 CG LEU B 524 -3.141 11.750 -2.666 1.00 0.63 C ATOM 713 CD1 LEU B 524 -2.467 10.778 -3.618 1.00 1.48 C ATOM 714 CD2 LEU B 524 -4.315 12.434 -3.351 1.00 1.36 C ATOM 0 H LEU B 524 -2.233 12.454 0.128 1.00 0.00 H new ATOM 0 HA LEU B 524 -4.938 12.574 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU B 524 -2.744 10.502 -0.969 1.00 0.04 H new ATOM 0 HB3 LEU B 524 -4.327 10.261 -1.681 1.00 0.04 H new ATOM 0 HG LEU B 524 -2.421 12.516 -2.379 1.00 0.63 H new ATOM 0 HD11 LEU B 524 -2.146 11.310 -4.514 1.00 1.48 H new ATOM 0 HD12 LEU B 524 -1.600 10.333 -3.130 1.00 1.48 H new ATOM 0 HD13 LEU B 524 -3.170 9.993 -3.894 1.00 1.48 H new ATOM 0 HD21 LEU B 524 -3.965 12.945 -4.248 1.00 1.36 H new ATOM 0 HD22 LEU B 524 -5.061 11.688 -3.625 1.00 1.36 H new ATOM 0 HD23 LEU B 524 -4.761 13.160 -2.671 1.00 1.36 H new ATOM 726 N LEU B 525 -4.164 10.453 1.615 1.00 0.00 N ATOM 727 CA LEU B 525 -4.709 9.802 2.783 1.00 0.00 C ATOM 728 C LEU B 525 -5.630 10.755 3.565 1.00 0.00 C ATOM 729 O LEU B 525 -6.737 10.378 3.995 1.00 0.00 O ATOM 730 CB LEU B 525 -3.586 9.299 3.692 1.00 0.02 C ATOM 731 CG LEU B 525 -2.833 8.071 3.176 1.00 1.09 C ATOM 732 CD1 LEU B 525 -1.569 7.842 3.990 1.00 1.76 C ATOM 733 CD2 LEU B 525 -3.727 6.841 3.223 1.00 1.95 C ATOM 0 H LEU B 525 -3.148 10.396 1.542 1.00 0.00 H new ATOM 0 HA LEU B 525 -5.299 8.950 2.446 1.00 0.00 H new ATOM 0 HB2 LEU B 525 -2.871 10.108 3.841 1.00 0.02 H new ATOM 0 HB3 LEU B 525 -4.009 9.063 4.669 1.00 0.02 H new ATOM 0 HG LEU B 525 -2.548 8.251 2.139 1.00 1.09 H new ATOM 0 HD11 LEU B 525 -1.045 6.965 3.610 1.00 1.76 H new ATOM 0 HD12 LEU B 525 -0.921 8.715 3.909 1.00 1.76 H new ATOM 0 HD13 LEU B 525 -1.833 7.682 5.035 1.00 1.76 H new ATOM 0 HD21 LEU B 525 -3.176 5.976 2.853 1.00 1.95 H new ATOM 0 HD22 LEU B 525 -4.041 6.658 4.251 1.00 1.95 H new ATOM 0 HD23 LEU B 525 -4.606 7.006 2.599 1.00 1.95 H new ATOM 745 N GLY B 526 -5.169 11.989 3.759 1.00 0.00 N ATOM 746 CA GLY B 526 -5.938 12.958 4.506 1.00 0.00 C ATOM 747 C GLY B 526 -7.212 13.327 3.769 1.00 0.00 C ATOM 748 O GLY B 526 -8.279 13.478 4.378 1.00 0.00 O ATOM 0 H GLY B 526 -4.274 12.331 3.409 1.00 0.00 H new ATOM 0 HA2 GLY B 526 -6.186 12.553 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 526 -5.338 13.853 4.673 1.00 0.00 H new ATOM 752 N LEU B 527 -7.095 13.476 2.453 1.00 0.00 N ATOM 753 CA LEU B 527 -8.249 13.740 1.597 1.00 0.00 C ATOM 754 C LEU B 527 -9.243 12.570 1.619 1.00 0.00 C ATOM 755 O LEU B 527 -10.462 12.768 1.560 1.00 0.00 O ATOM 756 CB LEU B 527 -7.796 14.019 0.160 1.00 0.01 C ATOM 757 CG LEU B 527 -7.766 15.498 -0.242 1.00 0.98 C ATOM 758 CD1 LEU B 527 -9.165 16.096 -0.199 1.00 1.57 C ATOM 759 CD2 LEU B 527 -6.824 16.283 0.660 1.00 1.67 C ATOM 0 H LEU B 527 -6.208 13.418 1.953 1.00 0.00 H new ATOM 0 HA LEU B 527 -8.757 14.622 1.988 1.00 0.00 H new ATOM 0 HB2 LEU B 527 -6.798 13.602 0.024 1.00 0.01 H new ATOM 0 HB3 LEU B 527 -8.459 13.487 -0.522 1.00 0.01 H new ATOM 0 HG LEU B 527 -7.395 15.563 -1.265 1.00 0.98 H new ATOM 0 HD11 LEU B 527 -9.121 17.146 -0.488 1.00 1.57 H new ATOM 0 HD12 LEU B 527 -9.813 15.557 -0.890 1.00 1.57 H new ATOM 0 HD13 LEU B 527 -9.565 16.014 0.812 1.00 1.57 H new ATOM 0 HD21 LEU B 527 -6.818 17.330 0.357 1.00 1.67 H new ATOM 0 HD22 LEU B 527 -7.162 16.206 1.693 1.00 1.67 H new ATOM 0 HD23 LEU B 527 -5.816 15.876 0.576 1.00 1.67 H new ATOM 771 N CYS B 528 -8.711 11.354 1.696 1.00 0.00 N ATOM 772 CA CYS B 528 -9.542 10.171 1.622 1.00 0.00 C ATOM 773 C CYS B 528 -10.503 10.116 2.796 1.00 0.00 C ATOM 774 O CYS B 528 -11.700 9.880 2.624 1.00 0.00 O ATOM 775 CB CYS B 528 -8.679 8.909 1.598 1.00 0.04 C ATOM 776 SG CYS B 528 -9.612 7.392 1.294 1.00 0.59 S ATOM 0 H CYS B 528 -7.714 11.169 1.809 1.00 0.00 H new ATOM 0 HA CYS B 528 -10.119 10.222 0.699 1.00 0.00 H new ATOM 0 HB2 CYS B 528 -7.917 9.016 0.826 1.00 0.04 H new ATOM 0 HB3 CYS B 528 -8.157 8.819 2.551 1.00 0.04 H new ATOM 0 HG CYS B 528 -8.900 6.583 0.567 1.00 0.59 H new ATOM 782 N GLU B 529 -9.962 10.338 3.988 1.00 0.00 N ATOM 783 CA GLU B 529 -10.766 10.452 5.195 1.00 0.00 C ATOM 784 C GLU B 529 -11.754 11.633 5.138 1.00 0.00 C ATOM 785 O GLU B 529 -12.832 11.585 5.741 1.00 0.00 O ATOM 786 CB GLU B 529 -9.861 10.596 6.418 1.00 0.02 C ATOM 787 CG GLU B 529 -10.624 10.667 7.730 1.00 1.29 C ATOM 788 CD GLU B 529 -9.710 10.790 8.933 1.00 1.85 C ATOM 789 OE1 GLU B 529 -9.269 9.744 9.452 1.00 2.25 O ATOM 790 OE2 GLU B 529 -9.435 11.933 9.356 1.00 2.50 O ATOM 0 H GLU B 529 -8.959 10.443 4.143 1.00 0.00 H new ATOM 0 HA GLU B 529 -11.355 9.538 5.273 1.00 0.00 H new ATOM 0 HB2 GLU B 529 -9.172 9.752 6.452 1.00 0.02 H new ATOM 0 HB3 GLU B 529 -9.256 11.496 6.309 1.00 0.02 H new ATOM 0 HG2 GLU B 529 -11.302 11.520 7.705 1.00 1.29 H new ATOM 0 HG3 GLU B 529 -11.239 9.774 7.836 1.00 1.29 H new ATOM 797 N GLN B 530 -11.385 12.682 4.408 1.00 0.00 N ATOM 798 CA GLN B 530 -12.203 13.892 4.306 1.00 0.00 C ATOM 799 C GLN B 530 -13.468 13.697 3.473 1.00 0.00 C ATOM 800 O GLN B 530 -14.574 13.994 3.922 1.00 0.00 O ATOM 801 CB GLN B 530 -11.373 15.038 3.724 1.00 0.01 C ATOM 802 CG GLN B 530 -10.410 15.661 4.725 1.00 0.99 C ATOM 803 CD GLN B 530 -9.532 16.733 4.106 1.00 1.50 C ATOM 804 OE1 GLN B 530 -10.060 17.427 3.104 1.00 2.15 O flip ATOM 805 NE2 GLN B 530 -8.394 16.939 4.527 1.00 2.24 N flip ATOM 0 H GLN B 530 -10.517 12.720 3.873 1.00 0.00 H new ATOM 0 HA GLN B 530 -12.526 14.135 5.319 1.00 0.00 H new ATOM 0 HB2 GLN B 530 -10.807 14.668 2.869 1.00 0.01 H new ATOM 0 HB3 GLN B 530 -12.046 15.810 3.351 1.00 0.01 H new ATOM 0 HG2 GLN B 530 -10.978 16.094 5.548 1.00 0.99 H new ATOM 0 HG3 GLN B 530 -9.778 14.880 5.149 1.00 0.99 H new ATOM 0 HE21 GLN B 530 -8.027 16.382 5.299 1.00 2.24 H new ATOM 0 HE22 GLN B 530 -7.818 17.666 4.104 1.00 2.24 H new ATOM 814 N LYS B 531 -13.291 13.227 2.247 1.00 0.00 N ATOM 815 CA LYS B 531 -14.402 13.046 1.331 1.00 0.00 C ATOM 816 C LYS B 531 -15.316 11.917 1.795 1.00 0.00 C ATOM 817 O LYS B 531 -14.849 10.865 2.246 1.00 0.00 O ATOM 818 CB LYS B 531 -13.901 12.765 -0.087 1.00 0.03 C ATOM 819 CG LYS B 531 -13.120 13.918 -0.699 1.00 0.77 C ATOM 820 CD LYS B 531 -13.087 13.826 -2.218 1.00 1.35 C ATOM 821 CE LYS B 531 -12.186 14.891 -2.824 1.00 1.81 C ATOM 822 NZ LYS B 531 -12.195 14.846 -4.313 1.00 2.28 N ATOM 0 H LYS B 531 -12.383 12.964 1.864 1.00 0.00 H new ATOM 0 HA LYS B 531 -14.975 13.973 1.321 1.00 0.00 H new ATOM 0 HB2 LYS B 531 -13.268 11.878 -0.070 1.00 0.03 H new ATOM 0 HB3 LYS B 531 -14.754 12.536 -0.726 1.00 0.03 H new ATOM 0 HG2 LYS B 531 -13.572 14.864 -0.401 1.00 0.77 H new ATOM 0 HG3 LYS B 531 -12.101 13.915 -0.311 1.00 0.77 H new ATOM 0 HD2 LYS B 531 -12.735 12.838 -2.516 1.00 1.35 H new ATOM 0 HD3 LYS B 531 -14.097 13.936 -2.612 1.00 1.35 H new ATOM 0 HE2 LYS B 531 -12.512 15.876 -2.489 1.00 1.81 H new ATOM 0 HE3 LYS B 531 -11.167 14.753 -2.463 1.00 1.81 H new ATOM 0 HZ1 LYS B 531 -11.569 15.587 -4.687 1.00 2.28 H new ATOM 0 HZ2 LYS B 531 -11.860 13.915 -4.634 1.00 2.28 H new ATOM 0 HZ3 LYS B 531 -13.163 15.004 -4.659 1.00 2.28 H new ATOM 836 N ARG B 532 -16.622 12.148 1.690 1.00 0.00 N ATOM 837 CA ARG B 532 -17.591 11.144 2.065 1.00 0.00 C ATOM 838 C ARG B 532 -18.046 10.367 0.834 1.00 0.00 C ATOM 839 O ARG B 532 -17.884 10.828 -0.303 1.00 0.00 O ATOM 840 CB ARG B 532 -18.797 11.792 2.749 1.00 0.01 C ATOM 841 CG ARG B 532 -18.430 12.662 3.940 1.00 1.32 C ATOM 842 CD ARG B 532 -19.664 13.285 4.575 1.00 1.86 C ATOM 843 NE ARG B 532 -20.623 12.277 5.019 1.00 2.54 N ATOM 844 CZ ARG B 532 -21.864 12.559 5.405 1.00 3.32 C ATOM 845 NH1 ARG B 532 -22.295 13.814 5.400 1.00 3.60 N ATOM 846 NH2 ARG B 532 -22.676 11.587 5.796 1.00 4.21 N ATOM 0 H ARG B 532 -17.024 13.021 1.349 1.00 0.00 H new ATOM 0 HA ARG B 532 -17.121 10.455 2.766 1.00 0.00 H new ATOM 0 HB2 ARG B 532 -19.335 12.398 2.020 1.00 0.01 H new ATOM 0 HB3 ARG B 532 -19.480 11.009 3.079 1.00 0.01 H new ATOM 0 HG2 ARG B 532 -17.901 12.062 4.681 1.00 1.32 H new ATOM 0 HG3 ARG B 532 -17.747 13.449 3.621 1.00 1.32 H new ATOM 0 HD2 ARG B 532 -19.363 13.898 5.425 1.00 1.86 H new ATOM 0 HD3 ARG B 532 -20.144 13.950 3.857 1.00 1.86 H new ATOM 0 HE ARG B 532 -20.324 11.302 5.034 1.00 2.54 H new ATOM 0 HH11 ARG B 532 -21.674 14.565 5.100 1.00 3.60 H new ATOM 0 HH12 ARG B 532 -23.247 14.027 5.697 1.00 3.60 H new ATOM 0 HH21 ARG B 532 -22.349 10.621 5.801 1.00 4.21 H new ATOM 0 HH22 ARG B 532 -23.627 11.805 6.092 1.00 4.21 H new ATOM 860 N GLY B 533 -18.610 9.183 1.070 1.00 0.00 N ATOM 861 CA GLY B 533 -19.096 8.352 -0.009 1.00 0.00 C ATOM 862 C GLY B 533 -18.046 7.431 -0.600 1.00 0.00 C ATOM 863 O GLY B 533 -17.036 7.883 -1.131 1.00 0.00 O ATOM 0 H GLY B 533 -18.737 8.786 2.001 1.00 0.00 H new ATOM 0 HA2 GLY B 533 -19.928 7.750 0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 533 -19.488 8.993 -0.799 1.00 0.00 H new ATOM 867 N LYS B 534 -18.311 6.129 -0.517 1.00 0.00 N ATOM 868 CA LYS B 534 -17.433 5.114 -1.089 1.00 0.00 C ATOM 869 C LYS B 534 -16.994 5.432 -2.531 1.00 0.00 C ATOM 870 O LYS B 534 -15.867 5.161 -2.906 1.00 0.00 O ATOM 871 CB LYS B 534 -18.128 3.752 -1.041 1.00 0.02 C ATOM 872 CG LYS B 534 -19.439 3.709 -1.811 1.00 1.17 C ATOM 873 CD LYS B 534 -20.101 2.342 -1.714 1.00 1.67 C ATOM 874 CE LYS B 534 -20.576 2.045 -0.300 1.00 2.37 C ATOM 875 NZ LYS B 534 -21.668 2.963 0.123 1.00 2.95 N ATOM 0 H LYS B 534 -19.137 5.750 -0.053 1.00 0.00 H new ATOM 0 HA LYS B 534 -16.525 5.100 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS B 534 -17.455 2.996 -1.444 1.00 0.02 H new ATOM 0 HB3 LYS B 534 -18.318 3.487 -0.001 1.00 0.02 H new ATOM 0 HG2 LYS B 534 -20.115 4.470 -1.422 1.00 1.17 H new ATOM 0 HG3 LYS B 534 -19.255 3.951 -2.858 1.00 1.17 H new ATOM 0 HD2 LYS B 534 -20.948 2.299 -2.399 1.00 1.67 H new ATOM 0 HD3 LYS B 534 -19.396 1.573 -2.030 1.00 1.67 H new ATOM 0 HE2 LYS B 534 -20.926 1.014 -0.244 1.00 2.37 H new ATOM 0 HE3 LYS B 534 -19.738 2.135 0.391 1.00 2.37 H new ATOM 0 HZ1 LYS B 534 -22.112 2.598 0.990 1.00 2.95 H new ATOM 0 HZ2 LYS B 534 -21.275 3.908 0.307 1.00 2.95 H new ATOM 0 HZ3 LYS B 534 -22.381 3.025 -0.631 1.00 2.95 H new ATOM 889 N ASP B 535 -17.881 6.013 -3.333 1.00 0.00 N ATOM 890 CA ASP B 535 -17.493 6.447 -4.670 1.00 0.00 C ATOM 891 C ASP B 535 -16.216 7.299 -4.618 1.00 0.00 C ATOM 892 O ASP B 535 -15.264 7.030 -5.339 1.00 0.00 O ATOM 893 CB ASP B 535 -18.631 7.231 -5.328 1.00 0.01 C ATOM 894 CG ASP B 535 -19.116 8.383 -4.469 1.00 1.35 C ATOM 895 OD1 ASP B 535 -19.844 8.126 -3.488 1.00 1.82 O ATOM 896 OD2 ASP B 535 -18.769 9.540 -4.779 1.00 2.20 O ATOM 0 H ASP B 535 -18.855 6.192 -3.087 1.00 0.00 H new ATOM 0 HA ASP B 535 -17.288 5.561 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP B 535 -18.293 7.617 -6.290 1.00 0.01 H new ATOM 0 HB3 ASP B 535 -19.463 6.557 -5.529 1.00 0.01 H new ATOM 901 N ASN B 536 -16.210 8.326 -3.768 1.00 0.00 N ATOM 902 CA ASN B 536 -15.037 9.193 -3.599 1.00 0.00 C ATOM 903 C ASN B 536 -13.855 8.463 -2.993 1.00 0.00 C ATOM 904 O ASN B 536 -12.712 8.628 -3.432 1.00 0.00 O ATOM 905 CB ASN B 536 -15.396 10.403 -2.734 1.00 0.07 C ATOM 906 CG ASN B 536 -16.046 11.519 -3.530 1.00 0.63 C ATOM 907 OD1 ASN B 536 -15.927 12.694 -3.182 1.00 1.38 O ATOM 908 ND2 ASN B 536 -16.738 11.160 -4.606 1.00 1.47 N ATOM 0 H ASN B 536 -17.006 8.581 -3.183 1.00 0.00 H new ATOM 0 HA ASN B 536 -14.740 9.522 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN B 536 -16.072 10.088 -1.939 1.00 0.07 H new ATOM 0 HB3 ASN B 536 -14.494 10.782 -2.254 1.00 0.07 H new ATOM 0 HD21 ASN B 536 -17.195 11.870 -5.178 1.00 1.47 H new ATOM 0 HD22 ASN B 536 -16.812 10.175 -4.860 1.00 1.47 H new ATOM 915 N LYS B 537 -14.118 7.680 -1.955 1.00 0.00 N ATOM 916 CA LYS B 537 -13.035 7.022 -1.232 1.00 0.00 C ATOM 917 C LYS B 537 -12.376 5.965 -2.114 1.00 0.00 C ATOM 918 O LYS B 537 -11.168 5.734 -2.025 1.00 0.00 O ATOM 919 CB LYS B 537 -13.567 6.380 0.051 1.00 0.03 C ATOM 920 CG LYS B 537 -14.255 7.364 0.984 1.00 0.81 C ATOM 921 CD LYS B 537 -14.896 6.656 2.167 1.00 1.12 C ATOM 922 CE LYS B 537 -15.594 7.638 3.096 1.00 1.82 C ATOM 923 NZ LYS B 537 -14.631 8.574 3.740 1.00 2.50 N ATOM 0 H LYS B 537 -15.054 7.486 -1.599 1.00 0.00 H new ATOM 0 HA LYS B 537 -12.289 7.771 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS B 537 -14.270 5.590 -0.213 1.00 0.03 H new ATOM 0 HB3 LYS B 537 -12.740 5.907 0.581 1.00 0.03 H new ATOM 0 HG2 LYS B 537 -13.529 8.093 1.345 1.00 0.81 H new ATOM 0 HG3 LYS B 537 -15.016 7.917 0.434 1.00 0.81 H new ATOM 0 HD2 LYS B 537 -15.616 5.921 1.806 1.00 1.12 H new ATOM 0 HD3 LYS B 537 -14.133 6.109 2.721 1.00 1.12 H new ATOM 0 HE2 LYS B 537 -16.333 8.208 2.533 1.00 1.82 H new ATOM 0 HE3 LYS B 537 -16.135 7.088 3.866 1.00 1.82 H new ATOM 0 HZ1 LYS B 537 -14.740 8.528 4.773 1.00 2.50 H new ATOM 0 HZ2 LYS B 537 -13.660 8.305 3.482 1.00 2.50 H new ATOM 0 HZ3 LYS B 537 -14.819 9.544 3.415 1.00 2.50 H new ATOM 937 N ALA B 538 -13.175 5.358 -2.988 1.00 0.00 N ATOM 938 CA ALA B 538 -12.693 4.350 -3.922 1.00 0.00 C ATOM 939 C ALA B 538 -11.768 4.969 -4.968 1.00 0.00 C ATOM 940 O ALA B 538 -10.697 4.442 -5.243 1.00 0.00 O ATOM 941 CB ALA B 538 -13.859 3.651 -4.600 1.00 0.04 C ATOM 0 H ALA B 538 -14.173 5.552 -3.067 1.00 0.00 H new ATOM 0 HA ALA B 538 -12.123 3.613 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA B 538 -13.480 2.901 -5.294 1.00 0.04 H new ATOM 0 HB2 ALA B 538 -14.481 3.167 -3.847 1.00 0.04 H new ATOM 0 HB3 ALA B 538 -14.454 4.383 -5.146 1.00 0.04 H new ATOM 947 N ILE B 539 -12.189 6.087 -5.547 1.00 0.00 N ATOM 948 CA ILE B 539 -11.334 6.843 -6.454 1.00 0.00 C ATOM 949 C ILE B 539 -10.027 7.272 -5.761 1.00 0.00 C ATOM 950 O ILE B 539 -8.925 6.984 -6.229 1.00 0.00 O ATOM 951 CB ILE B 539 -12.055 8.091 -6.998 1.00 0.05 C ATOM 952 CG1 ILE B 539 -13.318 7.687 -7.766 1.00 1.15 C ATOM 953 CG2 ILE B 539 -11.120 8.902 -7.885 1.00 1.12 C ATOM 954 CD1 ILE B 539 -13.047 6.813 -8.973 1.00 1.82 C ATOM 0 H ILE B 539 -13.115 6.490 -5.405 1.00 0.00 H new ATOM 0 HA ILE B 539 -11.095 6.182 -7.287 1.00 0.00 H new ATOM 0 HB ILE B 539 -12.352 8.715 -6.155 1.00 0.05 H new ATOM 0 HG12 ILE B 539 -13.989 7.158 -7.090 1.00 1.15 H new ATOM 0 HG13 ILE B 539 -13.838 8.588 -8.091 1.00 1.15 H new ATOM 0 HG21 ILE B 539 -11.645 9.780 -8.261 1.00 1.12 H new ATOM 0 HG22 ILE B 539 -10.253 9.219 -7.306 1.00 1.12 H new ATOM 0 HG23 ILE B 539 -10.792 8.289 -8.724 1.00 1.12 H new ATOM 0 HD11 ILE B 539 -13.989 6.569 -9.464 1.00 1.82 H new ATOM 0 HD12 ILE B 539 -12.401 7.346 -9.671 1.00 1.82 H new ATOM 0 HD13 ILE B 539 -12.555 5.894 -8.654 1.00 1.82 H new ATOM 966 N ILE B 540 -10.147 7.957 -4.633 1.00 0.00 N ATOM 967 CA ILE B 540 -8.959 8.425 -3.926 1.00 0.00 C ATOM 968 C ILE B 540 -8.036 7.255 -3.594 1.00 0.00 C ATOM 969 O ILE B 540 -6.836 7.307 -3.846 1.00 0.00 O ATOM 970 CB ILE B 540 -9.325 9.176 -2.631 1.00 0.06 C ATOM 971 CG1 ILE B 540 -10.159 10.416 -2.963 1.00 1.12 C ATOM 972 CG2 ILE B 540 -8.064 9.564 -1.866 1.00 1.11 C ATOM 973 CD1 ILE B 540 -10.642 11.172 -1.744 1.00 1.85 C ATOM 0 H ILE B 540 -11.035 8.199 -4.193 1.00 0.00 H new ATOM 0 HA ILE B 540 -8.442 9.119 -4.589 1.00 0.00 H new ATOM 0 HB ILE B 540 -9.918 8.517 -1.997 1.00 0.06 H new ATOM 0 HG12 ILE B 540 -9.564 11.087 -3.583 1.00 1.12 H new ATOM 0 HG13 ILE B 540 -11.022 10.114 -3.557 1.00 1.12 H new ATOM 0 HG21 ILE B 540 -8.340 10.094 -0.954 1.00 1.11 H new ATOM 0 HG22 ILE B 540 -7.504 8.665 -1.608 1.00 1.11 H new ATOM 0 HG23 ILE B 540 -7.446 10.211 -2.488 1.00 1.11 H new ATOM 0 HD11 ILE B 540 -11.225 12.037 -2.060 1.00 1.85 H new ATOM 0 HD12 ILE B 540 -11.264 10.518 -1.133 1.00 1.85 H new ATOM 0 HD13 ILE B 540 -9.785 11.506 -1.160 1.00 1.85 H new ATOM 985 N ALA B 541 -8.616 6.197 -3.038 1.00 0.00 N ATOM 986 CA ALA B 541 -7.883 4.992 -2.670 1.00 0.00 C ATOM 987 C ALA B 541 -7.138 4.343 -3.845 1.00 0.00 C ATOM 988 O ALA B 541 -5.986 3.915 -3.705 1.00 0.00 O ATOM 989 CB ALA B 541 -8.821 3.981 -2.029 1.00 0.02 C ATOM 0 H ALA B 541 -9.613 6.151 -2.829 1.00 0.00 H new ATOM 0 HA ALA B 541 -7.122 5.305 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA B 541 -8.261 3.086 -1.759 1.00 0.02 H new ATOM 0 HB2 ALA B 541 -9.266 4.415 -1.134 1.00 0.02 H new ATOM 0 HB3 ALA B 541 -9.609 3.717 -2.735 1.00 0.02 H new ATOM 995 N SER B 542 -7.807 4.247 -4.992 1.00 0.00 N ATOM 996 CA SER B 542 -7.190 3.622 -6.163 1.00 0.00 C ATOM 997 C SER B 542 -5.932 4.382 -6.567 1.00 0.00 C ATOM 998 O SER B 542 -4.943 3.783 -6.958 1.00 0.00 O ATOM 999 CB SER B 542 -8.177 3.587 -7.330 1.00 0.01 C ATOM 1000 OG SER B 542 -9.326 2.827 -7.004 1.00 1.20 O ATOM 0 H SER B 542 -8.758 4.586 -5.137 1.00 0.00 H new ATOM 0 HA SER B 542 -6.916 2.599 -5.904 1.00 0.00 H new ATOM 0 HB2 SER B 542 -8.472 4.603 -7.591 1.00 0.01 H new ATOM 0 HB3 SER B 542 -7.692 3.160 -8.208 1.00 0.01 H new ATOM 0 HG SER B 542 -9.881 3.329 -6.371 1.00 1.20 H new ATOM 1006 N ASN B 543 -6.007 5.707 -6.463 1.00 0.00 N ATOM 1007 CA ASN B 543 -4.957 6.614 -6.889 1.00 0.00 C ATOM 1008 C ASN B 543 -3.684 6.555 -6.034 1.00 0.00 C ATOM 1009 O ASN B 543 -2.564 6.476 -6.540 1.00 0.00 O ATOM 1010 CB ASN B 543 -5.492 8.047 -6.905 1.00 0.01 C ATOM 1011 CG ASN B 543 -4.590 8.999 -7.669 1.00 1.12 C ATOM 1012 OD1 ASN B 543 -3.375 8.812 -7.728 1.00 2.03 O ATOM 1013 ND2 ASN B 543 -5.185 10.030 -8.258 1.00 1.80 N ATOM 0 H ASN B 543 -6.819 6.185 -6.071 1.00 0.00 H new ATOM 0 HA ASN B 543 -4.667 6.289 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN B 543 -6.485 8.055 -7.354 1.00 0.01 H new ATOM 0 HB3 ASN B 543 -5.602 8.401 -5.880 1.00 0.01 H new ATOM 0 HD21 ASN B 543 -4.631 10.705 -8.785 1.00 1.80 H new ATOM 0 HD22 ASN B 543 -6.196 10.146 -8.183 1.00 1.80 H new ATOM 1020 N ILE B 544 -3.867 6.582 -4.732 1.00 0.00 N ATOM 1021 CA ILE B 544 -2.781 6.321 -3.816 1.00 0.00 C ATOM 1022 C ILE B 544 -2.125 4.982 -4.207 1.00 0.00 C ATOM 1023 O ILE B 544 -0.899 4.863 -4.294 1.00 0.00 O ATOM 1024 CB ILE B 544 -3.280 6.249 -2.360 1.00 0.05 C ATOM 1025 CG1 ILE B 544 -3.865 7.596 -1.928 1.00 1.41 C ATOM 1026 CG2 ILE B 544 -2.150 5.833 -1.432 1.00 1.38 C ATOM 1027 CD1 ILE B 544 -4.632 7.535 -0.624 1.00 1.81 C ATOM 0 H ILE B 544 -4.761 6.783 -4.284 1.00 0.00 H new ATOM 0 HA ILE B 544 -2.060 7.136 -3.879 1.00 0.00 H new ATOM 0 HB ILE B 544 -4.068 5.498 -2.300 1.00 0.05 H new ATOM 0 HG12 ILE B 544 -3.055 8.319 -1.830 1.00 1.41 H new ATOM 0 HG13 ILE B 544 -4.527 7.963 -2.712 1.00 1.41 H new ATOM 0 HG21 ILE B 544 -2.519 5.787 -0.407 1.00 1.38 H new ATOM 0 HG22 ILE B 544 -1.778 4.852 -1.728 1.00 1.38 H new ATOM 0 HG23 ILE B 544 -1.341 6.561 -1.494 1.00 1.38 H new ATOM 0 HD11 ILE B 544 -5.017 8.526 -0.382 1.00 1.81 H new ATOM 0 HD12 ILE B 544 -5.463 6.837 -0.723 1.00 1.81 H new ATOM 0 HD13 ILE B 544 -3.969 7.199 0.173 1.00 1.81 H new ATOM 1039 N MET B 545 -2.943 3.969 -4.459 1.00 0.00 N ATOM 1040 CA MET B 545 -2.395 2.675 -4.846 1.00 0.00 C ATOM 1041 C MET B 545 -1.647 2.722 -6.184 1.00 0.00 C ATOM 1042 O MET B 545 -0.568 2.139 -6.321 1.00 0.00 O ATOM 1043 CB MET B 545 -3.522 1.645 -4.911 1.00 0.04 C ATOM 1044 CG MET B 545 -4.257 1.467 -3.590 1.00 0.88 C ATOM 1045 SD MET B 545 -5.916 0.792 -3.801 1.00 1.81 S ATOM 1046 CE MET B 545 -5.561 -0.706 -4.713 1.00 2.60 C ATOM 0 H MET B 545 -3.961 4.013 -4.405 1.00 0.00 H new ATOM 0 HA MET B 545 -1.665 2.390 -4.088 1.00 0.00 H new ATOM 0 HB2 MET B 545 -4.236 1.947 -5.677 1.00 0.04 H new ATOM 0 HB3 MET B 545 -3.109 0.685 -5.220 1.00 0.04 H new ATOM 0 HG2 MET B 545 -3.680 0.805 -2.944 1.00 0.88 H new ATOM 0 HG3 MET B 545 -4.323 2.430 -3.083 1.00 0.88 H new ATOM 0 HE1 MET B 545 -6.459 -1.321 -4.766 1.00 2.60 H new ATOM 0 HE2 MET B 545 -5.237 -0.450 -5.722 1.00 2.60 H new ATOM 0 HE3 MET B 545 -4.770 -1.261 -4.208 1.00 2.60 H new ATOM 1056 N TYR B 546 -2.207 3.423 -7.164 1.00 0.00 N ATOM 1057 CA TYR B 546 -1.506 3.561 -8.420 1.00 0.00 C ATOM 1058 C TYR B 546 -0.143 4.209 -8.187 1.00 0.00 C ATOM 1059 O TYR B 546 0.868 3.698 -8.654 1.00 0.00 O ATOM 1060 CB TYR B 546 -2.332 4.399 -9.401 1.00 0.01 C ATOM 1061 CG TYR B 546 -1.649 4.634 -10.729 1.00 0.55 C ATOM 1062 CD1 TYR B 546 -1.659 3.658 -11.718 1.00 0.55 C ATOM 1063 CD2 TYR B 546 -0.990 5.828 -10.994 1.00 1.19 C ATOM 1064 CE1 TYR B 546 -1.033 3.866 -12.932 1.00 1.00 C ATOM 1065 CE2 TYR B 546 -0.362 6.045 -12.206 1.00 1.68 C ATOM 1066 CZ TYR B 546 -0.397 5.074 -13.175 1.00 1.57 C ATOM 1067 OH TYR B 546 0.238 5.272 -14.379 1.00 2.08 O ATOM 0 H TYR B 546 -3.114 3.888 -7.112 1.00 0.00 H new ATOM 0 HA TYR B 546 -1.357 2.571 -8.851 1.00 0.00 H new ATOM 0 HB2 TYR B 546 -3.285 3.901 -9.577 1.00 0.01 H new ATOM 0 HB3 TYR B 546 -2.556 5.362 -8.943 1.00 0.01 H new ATOM 0 HD1 TYR B 546 -2.164 2.721 -11.535 1.00 0.55 H new ATOM 0 HD2 TYR B 546 -0.968 6.600 -10.239 1.00 1.19 H new ATOM 0 HE1 TYR B 546 -1.039 3.093 -13.686 1.00 1.00 H new ATOM 0 HE2 TYR B 546 0.154 6.976 -12.390 1.00 1.68 H new ATOM 0 HH TYR B 546 0.634 6.168 -14.396 1.00 2.08 H new ATOM 1077 N ILE B 547 -0.134 5.313 -7.439 1.00 0.00 N ATOM 1078 CA ILE B 547 1.092 6.045 -7.106 1.00 0.00 C ATOM 1079 C ILE B 547 2.148 5.161 -6.442 1.00 0.00 C ATOM 1080 O ILE B 547 3.251 4.975 -6.967 1.00 0.00 O ATOM 1081 CB ILE B 547 0.785 7.251 -6.199 1.00 0.06 C ATOM 1082 CG1 ILE B 547 -0.120 8.238 -6.938 1.00 0.74 C ATOM 1083 CG2 ILE B 547 2.073 7.934 -5.757 1.00 0.78 C ATOM 1084 CD1 ILE B 547 -0.774 9.257 -6.034 1.00 1.50 C ATOM 0 H ILE B 547 -0.979 5.727 -7.045 1.00 0.00 H new ATOM 0 HA ILE B 547 1.502 6.395 -8.053 1.00 0.00 H new ATOM 0 HB ILE B 547 0.268 6.897 -5.307 1.00 0.06 H new ATOM 0 HG12 ILE B 547 0.467 8.760 -7.694 1.00 0.74 H new ATOM 0 HG13 ILE B 547 -0.896 7.682 -7.465 1.00 0.74 H new ATOM 0 HG21 ILE B 547 1.833 8.783 -5.117 1.00 0.78 H new ATOM 0 HG22 ILE B 547 2.689 7.225 -5.204 1.00 0.78 H new ATOM 0 HG23 ILE B 547 2.619 8.283 -6.633 1.00 0.78 H new ATOM 0 HD11 ILE B 547 -1.400 9.922 -6.629 1.00 1.50 H new ATOM 0 HD12 ILE B 547 -1.389 8.745 -5.294 1.00 1.50 H new ATOM 0 HD13 ILE B 547 -0.005 9.840 -5.527 1.00 1.50 H new ATOM 1096 N VAL B 548 1.820 4.606 -5.289 1.00 0.00 N ATOM 1097 CA VAL B 548 2.744 3.687 -4.639 1.00 0.00 C ATOM 1098 C VAL B 548 3.289 2.643 -5.630 1.00 0.00 C ATOM 1099 O VAL B 548 4.478 2.341 -5.636 1.00 0.00 O ATOM 1100 CB VAL B 548 2.099 2.976 -3.430 1.00 0.03 C ATOM 1101 CG1 VAL B 548 1.667 3.992 -2.386 1.00 1.40 C ATOM 1102 CG2 VAL B 548 0.921 2.119 -3.862 1.00 1.39 C ATOM 0 H VAL B 548 0.944 4.768 -4.792 1.00 0.00 H new ATOM 0 HA VAL B 548 3.575 4.291 -4.274 1.00 0.00 H new ATOM 0 HB VAL B 548 2.846 2.318 -2.987 1.00 0.03 H new ATOM 0 HG11 VAL B 548 1.214 3.475 -1.540 1.00 1.40 H new ATOM 0 HG12 VAL B 548 2.536 4.555 -2.044 1.00 1.40 H new ATOM 0 HG13 VAL B 548 0.941 4.677 -2.823 1.00 1.40 H new ATOM 0 HG21 VAL B 548 0.487 1.631 -2.989 1.00 1.39 H new ATOM 0 HG22 VAL B 548 0.169 2.748 -4.338 1.00 1.39 H new ATOM 0 HG23 VAL B 548 1.261 1.363 -4.569 1.00 1.39 H new ATOM 1112 N GLY B 549 2.416 2.077 -6.461 1.00 0.00 N ATOM 1113 CA GLY B 549 2.816 1.046 -7.407 1.00 0.00 C ATOM 1114 C GLY B 549 3.916 1.501 -8.346 1.00 0.00 C ATOM 1115 O GLY B 549 4.729 0.701 -8.824 1.00 0.00 O ATOM 0 H GLY B 549 1.426 2.318 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY B 549 3.155 0.168 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY B 549 1.949 0.741 -7.992 1.00 0.00 H new ATOM 1119 N GLN B 550 3.952 2.808 -8.597 1.00 0.00 N ATOM 1120 CA GLN B 550 4.881 3.390 -9.552 1.00 0.00 C ATOM 1121 C GLN B 550 6.224 3.727 -8.929 1.00 0.00 C ATOM 1122 O GLN B 550 7.179 4.046 -9.636 1.00 0.00 O ATOM 1123 CB GLN B 550 4.278 4.652 -10.172 1.00 0.01 C ATOM 1124 CG GLN B 550 3.015 4.400 -10.978 1.00 1.12 C ATOM 1125 CD GLN B 550 3.259 3.520 -12.189 1.00 1.59 C ATOM 1126 OE1 GLN B 550 3.149 2.297 -12.114 1.00 2.25 O ATOM 1127 NE2 GLN B 550 3.595 4.141 -13.313 1.00 2.27 N ATOM 0 H GLN B 550 3.340 3.487 -8.145 1.00 0.00 H new ATOM 0 HA GLN B 550 5.054 2.638 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN B 550 4.054 5.364 -9.377 1.00 0.01 H new ATOM 0 HB3 GLN B 550 5.022 5.119 -10.818 1.00 0.01 H new ATOM 0 HG2 GLN B 550 2.268 3.931 -10.338 1.00 1.12 H new ATOM 0 HG3 GLN B 550 2.601 5.354 -11.305 1.00 1.12 H new ATOM 0 HE21 GLN B 550 3.675 5.158 -13.330 1.00 2.27 H new ATOM 0 HE22 GLN B 550 3.773 3.601 -14.160 1.00 2.27 H new ATOM 1136 N TYR B 551 6.302 3.639 -7.605 1.00 0.00 N ATOM 1137 CA TYR B 551 7.521 4.004 -6.907 1.00 0.00 C ATOM 1138 C TYR B 551 8.132 2.858 -6.087 1.00 0.00 C ATOM 1139 O TYR B 551 8.289 2.968 -4.871 1.00 0.00 O ATOM 1140 CB TYR B 551 7.259 5.207 -6.000 1.00 0.08 C ATOM 1141 CG TYR B 551 7.049 6.495 -6.763 1.00 0.90 C ATOM 1142 CD1 TYR B 551 8.129 7.237 -7.223 1.00 1.80 C ATOM 1143 CD2 TYR B 551 5.770 6.971 -7.014 1.00 1.10 C ATOM 1144 CE1 TYR B 551 7.938 8.418 -7.916 1.00 2.65 C ATOM 1145 CE2 TYR B 551 5.570 8.150 -7.707 1.00 1.91 C ATOM 1146 CZ TYR B 551 6.669 8.859 -8.174 1.00 2.65 C ATOM 1147 OH TYR B 551 6.464 10.045 -8.844 1.00 3.53 O ATOM 0 H TYR B 551 5.542 3.321 -7.003 1.00 0.00 H new ATOM 0 HA TYR B 551 8.251 4.255 -7.676 1.00 0.00 H new ATOM 0 HB2 TYR B 551 6.379 5.007 -5.388 1.00 0.08 H new ATOM 0 HB3 TYR B 551 8.100 5.330 -5.318 1.00 0.08 H new ATOM 0 HD1 TYR B 551 9.133 6.886 -7.037 1.00 1.80 H new ATOM 0 HD2 TYR B 551 4.916 6.411 -6.662 1.00 1.10 H new ATOM 0 HE1 TYR B 551 8.789 8.991 -8.253 1.00 2.65 H new ATOM 0 HE2 TYR B 551 4.569 8.516 -7.884 1.00 1.91 H new ATOM 0 HH TYR B 551 5.502 10.203 -8.942 1.00 3.53 H new ATOM 1157 N PRO B 552 8.485 1.747 -6.754 1.00 0.00 N ATOM 1158 CA PRO B 552 9.115 0.635 -6.029 1.00 0.00 C ATOM 1159 C PRO B 552 10.379 1.050 -5.272 1.00 0.00 C ATOM 1160 O PRO B 552 10.616 0.552 -4.182 1.00 0.00 O ATOM 1161 CB PRO B 552 9.459 -0.368 -7.140 1.00 0.01 C ATOM 1162 CG PRO B 552 9.374 0.404 -8.418 1.00 0.46 C ATOM 1163 CD PRO B 552 8.353 1.481 -8.191 1.00 0.02 C ATOM 0 HA PRO B 552 8.454 0.236 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO B 552 10.457 -0.783 -6.998 1.00 0.01 H new ATOM 0 HB3 PRO B 552 8.762 -1.206 -7.141 1.00 0.01 H new ATOM 0 HG2 PRO B 552 10.341 0.834 -8.678 1.00 0.46 H new ATOM 0 HG3 PRO B 552 9.080 -0.243 -9.245 1.00 0.46 H new ATOM 0 HD2 PRO B 552 8.560 2.369 -8.789 1.00 0.02 H new ATOM 0 HD3 PRO B 552 7.348 1.149 -8.451 1.00 0.02 H new ATOM 1171 N ARG B 553 11.202 1.914 -5.861 1.00 0.00 N ATOM 1172 CA ARG B 553 12.483 2.260 -5.259 1.00 0.00 C ATOM 1173 C ARG B 553 12.268 2.790 -3.845 1.00 0.00 C ATOM 1174 O ARG B 553 12.957 2.402 -2.912 1.00 0.00 O ATOM 1175 CB ARG B 553 13.210 3.306 -6.108 1.00 0.01 C ATOM 1176 CG ARG B 553 13.388 2.898 -7.564 1.00 1.17 C ATOM 1177 CD ARG B 553 14.302 1.690 -7.705 1.00 1.73 C ATOM 1178 NE ARG B 553 15.656 1.973 -7.236 1.00 2.26 N ATOM 1179 CZ ARG B 553 16.754 1.616 -7.895 1.00 3.06 C ATOM 1180 NH1 ARG B 553 16.659 0.964 -9.046 1.00 3.50 N ATOM 1181 NH2 ARG B 553 17.949 1.909 -7.402 1.00 3.87 N ATOM 0 H ARG B 553 11.006 2.382 -6.746 1.00 0.00 H new ATOM 0 HA ARG B 553 13.100 1.362 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG B 553 12.655 4.243 -6.068 1.00 0.01 H new ATOM 0 HB3 ARG B 553 14.190 3.498 -5.671 1.00 0.01 H new ATOM 0 HG2 ARG B 553 12.415 2.670 -7.999 1.00 1.17 H new ATOM 0 HG3 ARG B 553 13.801 3.734 -8.128 1.00 1.17 H new ATOM 0 HD2 ARG B 553 13.889 0.855 -7.139 1.00 1.73 H new ATOM 0 HD3 ARG B 553 14.337 1.381 -8.750 1.00 1.73 H new ATOM 0 HE ARG B 553 15.765 2.473 -6.353 1.00 2.26 H new ATOM 0 HH11 ARG B 553 15.741 0.735 -9.428 1.00 3.50 H new ATOM 0 HH12 ARG B 553 17.503 0.692 -9.549 1.00 3.50 H new ATOM 0 HH21 ARG B 553 18.027 2.409 -6.516 1.00 3.87 H new ATOM 0 HH22 ARG B 553 18.791 1.635 -7.908 1.00 3.87 H new ATOM 1195 N PHE B 554 11.304 3.698 -3.717 1.00 0.00 N ATOM 1196 CA PHE B 554 10.769 4.142 -2.433 1.00 0.00 C ATOM 1197 C PHE B 554 10.406 2.962 -1.519 1.00 0.00 C ATOM 1198 O PHE B 554 10.934 2.836 -0.407 1.00 0.00 O ATOM 1199 CB PHE B 554 9.548 5.045 -2.612 1.00 0.03 C ATOM 1200 CG PHE B 554 9.150 5.733 -1.335 1.00 0.17 C ATOM 1201 CD1 PHE B 554 9.973 6.696 -0.772 1.00 0.40 C ATOM 1202 CD2 PHE B 554 7.969 5.406 -0.686 1.00 0.59 C ATOM 1203 CE1 PHE B 554 9.626 7.323 0.411 1.00 0.45 C ATOM 1204 CE2 PHE B 554 7.619 6.028 0.500 1.00 0.70 C ATOM 1205 CZ PHE B 554 8.448 6.987 1.048 1.00 0.48 C ATOM 0 H PHE B 554 10.865 4.154 -4.517 1.00 0.00 H new ATOM 0 HA PHE B 554 11.564 4.715 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE B 554 9.763 5.795 -3.373 1.00 0.03 H new ATOM 0 HB3 PHE B 554 8.711 4.451 -2.977 1.00 0.03 H new ATOM 0 HD1 PHE B 554 10.898 6.960 -1.264 1.00 0.40 H new ATOM 0 HD2 PHE B 554 7.315 4.658 -1.110 1.00 0.59 H new ATOM 0 HE1 PHE B 554 10.275 8.074 0.836 1.00 0.45 H new ATOM 0 HE2 PHE B 554 6.697 5.763 0.997 1.00 0.70 H new ATOM 0 HZ PHE B 554 8.175 7.473 1.973 1.00 0.48 H new ATOM 1215 N LEU B 555 9.491 2.113 -1.987 1.00 0.00 N ATOM 1216 CA LEU B 555 9.029 0.956 -1.221 1.00 0.00 C ATOM 1217 C LEU B 555 10.201 0.113 -0.795 1.00 0.00 C ATOM 1218 O LEU B 555 10.323 -0.251 0.377 1.00 0.00 O ATOM 1219 CB LEU B 555 8.057 0.115 -2.054 1.00 0.03 C ATOM 1220 CG LEU B 555 6.596 0.569 -2.015 1.00 0.54 C ATOM 1221 CD1 LEU B 555 6.454 1.977 -2.575 1.00 1.49 C ATOM 1222 CD2 LEU B 555 5.718 -0.402 -2.790 1.00 1.34 C ATOM 0 H LEU B 555 9.051 2.207 -2.903 1.00 0.00 H new ATOM 0 HA LEU B 555 8.509 1.316 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU B 555 8.394 0.121 -3.091 1.00 0.03 H new ATOM 0 HB3 LEU B 555 8.108 -0.917 -1.708 1.00 0.03 H new ATOM 0 HG LEU B 555 6.269 0.580 -0.975 1.00 0.54 H new ATOM 0 HD11 LEU B 555 5.407 2.280 -2.538 1.00 1.49 H new ATOM 0 HD12 LEU B 555 7.053 2.667 -1.980 1.00 1.49 H new ATOM 0 HD13 LEU B 555 6.800 1.994 -3.608 1.00 1.49 H new ATOM 0 HD21 LEU B 555 4.682 -0.065 -2.753 1.00 1.34 H new ATOM 0 HD22 LEU B 555 6.049 -0.443 -3.828 1.00 1.34 H new ATOM 0 HD23 LEU B 555 5.793 -1.394 -2.346 1.00 1.34 H new ATOM 1234 N ARG B 556 11.072 -0.176 -1.755 1.00 0.00 N ATOM 1235 CA ARG B 556 12.244 -1.010 -1.531 1.00 0.00 C ATOM 1236 C ARG B 556 13.132 -0.534 -0.371 1.00 0.00 C ATOM 1237 O ARG B 556 13.691 -1.350 0.381 1.00 0.00 O ATOM 1238 CB ARG B 556 13.076 -1.072 -2.815 1.00 0.02 C ATOM 1239 CG ARG B 556 14.335 -1.915 -2.694 1.00 1.02 C ATOM 1240 CD ARG B 556 15.169 -1.863 -3.965 1.00 1.14 C ATOM 1241 NE ARG B 556 16.399 -2.641 -3.843 1.00 1.74 N ATOM 1242 CZ ARG B 556 17.319 -2.727 -4.799 1.00 2.13 C ATOM 1243 NH1 ARG B 556 17.152 -2.083 -5.948 1.00 1.99 N ATOM 1244 NH2 ARG B 556 18.409 -3.458 -4.608 1.00 3.09 N ATOM 0 H ARG B 556 10.984 0.163 -2.713 1.00 0.00 H new ATOM 0 HA ARG B 556 11.874 -1.997 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG B 556 12.458 -1.474 -3.618 1.00 0.02 H new ATOM 0 HB3 ARG B 556 13.355 -0.059 -3.104 1.00 0.02 H new ATOM 0 HG2 ARG B 556 14.931 -1.561 -1.853 1.00 1.02 H new ATOM 0 HG3 ARG B 556 14.062 -2.948 -2.479 1.00 1.02 H new ATOM 0 HD2 ARG B 556 14.581 -2.243 -4.801 1.00 1.14 H new ATOM 0 HD3 ARG B 556 15.417 -0.827 -4.194 1.00 1.14 H new ATOM 0 HE ARG B 556 16.562 -3.148 -2.973 1.00 1.74 H new ATOM 0 HH11 ARG B 556 16.315 -1.520 -6.100 1.00 1.99 H new ATOM 0 HH12 ARG B 556 17.860 -2.152 -6.679 1.00 1.99 H new ATOM 0 HH21 ARG B 556 18.542 -3.955 -3.727 1.00 3.09 H new ATOM 0 HH22 ARG B 556 19.114 -3.523 -5.342 1.00 3.09 H new ATOM 1258 N ALA B 557 13.237 0.780 -0.208 1.00 0.00 N ATOM 1259 CA ALA B 557 14.100 1.333 0.838 1.00 0.00 C ATOM 1260 C ALA B 557 13.382 1.434 2.181 1.00 0.00 C ATOM 1261 O ALA B 557 14.030 1.659 3.197 1.00 0.00 O ATOM 1262 CB ALA B 557 14.621 2.698 0.416 1.00 0.00 C ATOM 0 H ALA B 557 12.747 1.474 -0.773 1.00 0.00 H new ATOM 0 HA ALA B 557 14.938 0.648 0.969 1.00 0.00 H new ATOM 0 HB1 ALA B 557 15.262 3.101 1.200 1.00 0.00 H new ATOM 0 HB2 ALA B 557 15.194 2.600 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA B 557 13.781 3.373 0.251 1.00 0.00 H new ATOM 1268 N HIS B 558 12.060 1.265 2.189 1.00 0.00 N ATOM 1269 CA HIS B 558 11.289 1.401 3.442 1.00 0.00 C ATOM 1270 C HIS B 558 10.362 0.208 3.752 1.00 0.00 C ATOM 1271 O HIS B 558 9.150 0.300 3.572 1.00 0.00 O ATOM 1272 CB HIS B 558 10.462 2.687 3.402 1.00 0.08 C ATOM 1273 CG HIS B 558 11.293 3.930 3.333 1.00 1.15 C ATOM 1274 ND1 HIS B 558 12.020 4.410 4.401 1.00 2.12 N ATOM 1275 CD2 HIS B 558 11.510 4.793 2.313 1.00 2.10 C ATOM 1276 CE1 HIS B 558 12.648 5.515 4.042 1.00 2.93 C ATOM 1277 NE2 HIS B 558 12.357 5.769 2.780 1.00 2.91 N ATOM 0 H HIS B 558 11.503 1.038 1.365 1.00 0.00 H new ATOM 0 HA HIS B 558 12.027 1.430 4.244 1.00 0.00 H new ATOM 0 HB2 HIS B 558 9.798 2.655 2.539 1.00 0.08 H new ATOM 0 HB3 HIS B 558 9.830 2.731 4.289 1.00 0.08 H new ATOM 0 HD2 HIS B 558 11.095 4.727 1.318 1.00 2.10 H new ATOM 0 HE1 HIS B 558 13.291 6.110 4.674 1.00 2.93 H new ATOM 0 HE2 HIS B 558 12.704 6.561 2.239 1.00 2.91 H new ATOM 1286 N TRP B 559 10.924 -0.884 4.260 1.00 0.00 N ATOM 1287 CA TRP B 559 10.154 -2.119 4.518 1.00 0.00 C ATOM 1288 C TRP B 559 8.848 -1.962 5.321 1.00 0.00 C ATOM 1289 O TRP B 559 7.801 -2.516 4.947 1.00 0.00 O ATOM 1290 CB TRP B 559 11.053 -3.151 5.204 1.00 0.02 C ATOM 1291 CG TRP B 559 11.790 -2.620 6.398 1.00 1.09 C ATOM 1292 CD1 TRP B 559 11.398 -2.695 7.703 1.00 2.27 C ATOM 1293 CD2 TRP B 559 13.051 -1.937 6.397 1.00 1.54 C ATOM 1294 NE1 TRP B 559 12.333 -2.099 8.513 1.00 2.97 N ATOM 1295 CE2 TRP B 559 13.357 -1.628 7.736 1.00 2.47 C ATOM 1296 CE3 TRP B 559 13.953 -1.559 5.397 1.00 2.00 C ATOM 1297 CZ2 TRP B 559 14.524 -0.958 8.099 1.00 3.11 C ATOM 1298 CZ3 TRP B 559 15.110 -0.894 5.759 1.00 2.76 C ATOM 1299 CH2 TRP B 559 15.387 -0.601 7.099 1.00 3.08 C ATOM 0 H TRP B 559 11.912 -0.949 4.505 1.00 0.00 H new ATOM 0 HA TRP B 559 9.830 -2.446 3.530 1.00 0.00 H new ATOM 0 HB2 TRP B 559 10.443 -4.000 5.514 1.00 0.02 H new ATOM 0 HB3 TRP B 559 11.777 -3.526 4.480 1.00 0.02 H new ATOM 0 HD1 TRP B 559 10.485 -3.156 8.049 1.00 2.27 H new ATOM 0 HE1 TRP B 559 12.274 -2.020 9.528 1.00 2.97 H new ATOM 0 HE3 TRP B 559 13.749 -1.783 4.360 1.00 2.00 H new ATOM 0 HZ2 TRP B 559 14.739 -0.729 9.132 1.00 3.11 H new ATOM 0 HZ3 TRP B 559 15.812 -0.596 4.994 1.00 2.76 H new ATOM 0 HH2 TRP B 559 16.301 -0.082 7.349 1.00 3.08 H new ATOM 1310 N LYS B 560 8.927 -1.243 6.437 1.00 0.00 N ATOM 1311 CA LYS B 560 7.766 -1.019 7.282 1.00 0.00 C ATOM 1312 C LYS B 560 6.626 -0.373 6.493 1.00 0.00 C ATOM 1313 O LYS B 560 5.460 -0.679 6.711 1.00 0.00 O ATOM 1314 CB LYS B 560 8.133 -0.134 8.475 1.00 0.01 C ATOM 1315 CG LYS B 560 8.976 -0.840 9.524 1.00 1.26 C ATOM 1316 CD LYS B 560 9.296 0.077 10.693 1.00 1.83 C ATOM 1317 CE LYS B 560 10.025 -0.668 11.798 1.00 2.58 C ATOM 1318 NZ LYS B 560 11.271 -1.315 11.303 1.00 3.32 N ATOM 0 H LYS B 560 9.785 -0.807 6.774 1.00 0.00 H new ATOM 0 HA LYS B 560 7.430 -1.990 7.646 1.00 0.00 H new ATOM 0 HB2 LYS B 560 8.675 0.740 8.114 1.00 0.01 H new ATOM 0 HB3 LYS B 560 7.217 0.229 8.942 1.00 0.01 H new ATOM 0 HG2 LYS B 560 8.445 -1.721 9.886 1.00 1.26 H new ATOM 0 HG3 LYS B 560 9.903 -1.191 9.071 1.00 1.26 H new ATOM 0 HD2 LYS B 560 9.909 0.909 10.347 1.00 1.83 H new ATOM 0 HD3 LYS B 560 8.373 0.503 11.087 1.00 1.83 H new ATOM 0 HE2 LYS B 560 10.271 0.025 12.602 1.00 2.58 H new ATOM 0 HE3 LYS B 560 9.366 -1.426 12.221 1.00 2.58 H new ATOM 0 HZ1 LYS B 560 11.894 -1.530 12.108 1.00 3.32 H new ATOM 0 HZ2 LYS B 560 11.031 -2.197 10.806 1.00 3.32 H new ATOM 0 HZ3 LYS B 560 11.760 -0.671 10.649 1.00 3.32 H new ATOM 1332 N PHE B 561 6.958 0.519 5.571 1.00 0.00 N ATOM 1333 CA PHE B 561 5.915 1.089 4.729 1.00 0.00 C ATOM 1334 C PHE B 561 5.431 0.093 3.656 1.00 0.00 C ATOM 1335 O PHE B 561 4.233 -0.060 3.440 1.00 0.00 O ATOM 1336 CB PHE B 561 6.371 2.392 4.069 1.00 0.03 C ATOM 1337 CG PHE B 561 5.232 3.191 3.484 1.00 0.40 C ATOM 1338 CD1 PHE B 561 3.971 3.167 4.072 1.00 0.95 C ATOM 1339 CD2 PHE B 561 5.417 3.959 2.347 1.00 0.98 C ATOM 1340 CE1 PHE B 561 2.925 3.892 3.537 1.00 1.18 C ATOM 1341 CE2 PHE B 561 4.373 4.689 1.808 1.00 1.25 C ATOM 1342 CZ PHE B 561 3.126 4.654 2.403 1.00 1.14 C ATOM 0 H PHE B 561 7.904 0.854 5.390 1.00 0.00 H new ATOM 0 HA PHE B 561 5.075 1.312 5.387 1.00 0.00 H new ATOM 0 HB2 PHE B 561 6.893 3.002 4.806 1.00 0.03 H new ATOM 0 HB3 PHE B 561 7.087 2.161 3.281 1.00 0.03 H new ATOM 0 HD1 PHE B 561 3.808 2.573 4.959 1.00 0.95 H new ATOM 0 HD2 PHE B 561 6.388 3.988 1.875 1.00 0.98 H new ATOM 0 HE1 PHE B 561 1.952 3.863 4.004 1.00 1.18 H new ATOM 0 HE2 PHE B 561 4.532 5.286 0.922 1.00 1.25 H new ATOM 0 HZ PHE B 561 2.310 5.222 1.982 1.00 1.14 H new ATOM 1352 N LEU B 562 6.375 -0.579 2.996 1.00 0.00 N ATOM 1353 CA LEU B 562 6.061 -1.621 2.038 1.00 0.00 C ATOM 1354 C LEU B 562 5.078 -2.619 2.643 1.00 0.00 C ATOM 1355 O LEU B 562 3.984 -2.805 2.118 1.00 0.00 O ATOM 1356 CB LEU B 562 7.344 -2.338 1.606 1.00 0.03 C ATOM 1357 CG LEU B 562 7.318 -2.944 0.201 1.00 0.45 C ATOM 1358 CD1 LEU B 562 8.716 -3.381 -0.208 1.00 1.32 C ATOM 1359 CD2 LEU B 562 6.356 -4.121 0.139 1.00 1.23 C ATOM 0 H LEU B 562 7.374 -0.411 3.115 1.00 0.00 H new ATOM 0 HA LEU B 562 5.598 -1.165 1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 562 8.172 -1.631 1.663 1.00 0.03 H new ATOM 0 HB3 LEU B 562 7.554 -3.133 2.322 1.00 0.03 H new ATOM 0 HG LEU B 562 6.970 -2.182 -0.496 1.00 0.45 H new ATOM 0 HD11 LEU B 562 8.685 -3.811 -1.209 1.00 1.32 H new ATOM 0 HD12 LEU B 562 9.383 -2.519 -0.204 1.00 1.32 H new ATOM 0 HD13 LEU B 562 9.084 -4.128 0.496 1.00 1.32 H new ATOM 0 HD21 LEU B 562 6.354 -4.536 -0.869 1.00 1.23 H new ATOM 0 HD22 LEU B 562 6.673 -4.887 0.846 1.00 1.23 H new ATOM 0 HD23 LEU B 562 5.352 -3.784 0.395 1.00 1.23 H new ATOM 1371 N LYS B 563 5.467 -3.250 3.752 1.00 0.00 N ATOM 1372 CA LYS B 563 4.600 -4.215 4.444 1.00 0.00 C ATOM 1373 C LYS B 563 3.183 -3.694 4.717 1.00 0.00 C ATOM 1374 O LYS B 563 2.198 -4.432 4.606 1.00 0.00 O ATOM 1375 CB LYS B 563 5.268 -4.632 5.760 1.00 0.03 C ATOM 1376 CG LYS B 563 4.430 -5.555 6.631 1.00 1.29 C ATOM 1377 CD LYS B 563 3.789 -4.797 7.782 1.00 1.53 C ATOM 1378 CE LYS B 563 3.740 -5.640 9.046 1.00 2.10 C ATOM 1379 NZ LYS B 563 3.012 -6.922 8.835 1.00 2.74 N ATOM 0 H LYS B 563 6.376 -3.113 4.193 1.00 0.00 H new ATOM 0 HA LYS B 563 4.480 -5.069 3.777 1.00 0.00 H new ATOM 0 HB2 LYS B 563 6.212 -5.127 5.532 1.00 0.03 H new ATOM 0 HB3 LYS B 563 5.508 -3.735 6.330 1.00 0.03 H new ATOM 0 HG2 LYS B 563 3.655 -6.025 6.026 1.00 1.29 H new ATOM 0 HG3 LYS B 563 5.057 -6.356 7.024 1.00 1.29 H new ATOM 0 HD2 LYS B 563 4.351 -3.883 7.975 1.00 1.53 H new ATOM 0 HD3 LYS B 563 2.779 -4.498 7.504 1.00 1.53 H new ATOM 0 HE2 LYS B 563 4.756 -5.851 9.380 1.00 2.10 H new ATOM 0 HE3 LYS B 563 3.254 -5.074 9.841 1.00 2.10 H new ATOM 0 HZ1 LYS B 563 2.575 -7.224 9.729 1.00 2.74 H new ATOM 0 HZ2 LYS B 563 2.273 -6.787 8.116 1.00 2.74 H new ATOM 0 HZ3 LYS B 563 3.680 -7.651 8.512 1.00 2.74 H new ATOM 1393 N THR B 564 3.096 -2.410 5.073 1.00 0.00 N ATOM 1394 CA THR B 564 1.833 -1.783 5.448 1.00 0.00 C ATOM 1395 C THR B 564 0.949 -1.595 4.220 1.00 0.00 C ATOM 1396 O THR B 564 -0.272 -1.766 4.273 1.00 0.00 O ATOM 1397 CB THR B 564 2.030 -0.428 6.157 1.00 0.03 C ATOM 1398 OG1 THR B 564 2.945 0.392 5.429 1.00 1.17 O ATOM 1399 CG2 THR B 564 2.537 -0.629 7.578 1.00 1.24 C ATOM 0 H THR B 564 3.898 -1.780 5.108 1.00 0.00 H new ATOM 0 HA THR B 564 1.347 -2.455 6.156 1.00 0.00 H new ATOM 0 HB THR B 564 1.062 0.072 6.198 1.00 0.03 H new ATOM 0 HG1 THR B 564 3.197 -0.059 4.596 1.00 1.17 H new ATOM 0 HG21 THR B 564 2.668 0.341 8.058 1.00 1.24 H new ATOM 0 HG22 THR B 564 1.814 -1.218 8.142 1.00 1.24 H new ATOM 0 HG23 THR B 564 3.492 -1.154 7.553 1.00 1.24 H new ATOM 1407 N VAL B 565 1.573 -1.224 3.117 1.00 0.00 N ATOM 1408 CA VAL B 565 0.882 -1.145 1.839 1.00 0.00 C ATOM 1409 C VAL B 565 0.350 -2.512 1.370 1.00 0.00 C ATOM 1410 O VAL B 565 -0.763 -2.605 0.858 1.00 0.00 O ATOM 1411 CB VAL B 565 1.800 -0.559 0.753 1.00 0.06 C ATOM 1412 CG1 VAL B 565 1.075 -0.490 -0.588 1.00 1.19 C ATOM 1413 CG2 VAL B 565 2.297 0.817 1.175 1.00 1.18 C ATOM 0 H VAL B 565 2.560 -0.971 3.079 1.00 0.00 H new ATOM 0 HA VAL B 565 0.028 -0.486 1.995 1.00 0.00 H new ATOM 0 HB VAL B 565 2.662 -1.215 0.632 1.00 0.06 H new ATOM 0 HG11 VAL B 565 1.743 -0.073 -1.342 1.00 1.19 H new ATOM 0 HG12 VAL B 565 0.770 -1.492 -0.889 1.00 1.19 H new ATOM 0 HG13 VAL B 565 0.194 0.144 -0.493 1.00 1.19 H new ATOM 0 HG21 VAL B 565 2.946 1.223 0.399 1.00 1.18 H new ATOM 0 HG22 VAL B 565 1.446 1.482 1.321 1.00 1.18 H new ATOM 0 HG23 VAL B 565 2.855 0.732 2.107 1.00 1.18 H new ATOM 1423 N VAL B 566 1.147 -3.561 1.548 1.00 0.00 N ATOM 1424 CA VAL B 566 0.755 -4.879 1.066 1.00 0.00 C ATOM 1425 C VAL B 566 -0.385 -5.446 1.904 1.00 0.00 C ATOM 1426 O VAL B 566 -1.413 -5.873 1.369 1.00 0.00 O ATOM 1427 CB VAL B 566 1.941 -5.861 1.087 1.00 0.04 C ATOM 1428 CG1 VAL B 566 1.524 -7.218 0.539 1.00 1.36 C ATOM 1429 CG2 VAL B 566 3.107 -5.294 0.295 1.00 1.36 C ATOM 0 H VAL B 566 2.053 -3.526 2.015 1.00 0.00 H new ATOM 0 HA VAL B 566 0.419 -4.758 0.036 1.00 0.00 H new ATOM 0 HB VAL B 566 2.260 -5.999 2.120 1.00 0.04 H new ATOM 0 HG11 VAL B 566 2.376 -7.897 0.562 1.00 1.36 H new ATOM 0 HG12 VAL B 566 0.718 -7.625 1.150 1.00 1.36 H new ATOM 0 HG13 VAL B 566 1.178 -7.105 -0.489 1.00 1.36 H new ATOM 0 HG21 VAL B 566 3.939 -5.998 0.318 1.00 1.36 H new ATOM 0 HG22 VAL B 566 2.799 -5.129 -0.738 1.00 1.36 H new ATOM 0 HG23 VAL B 566 3.420 -4.348 0.736 1.00 1.36 H new ATOM 1439 N ASN B 567 -0.203 -5.433 3.218 1.00 0.00 N ATOM 1440 CA ASN B 567 -1.296 -5.756 4.118 1.00 0.00 C ATOM 1441 C ASN B 567 -2.564 -4.941 3.802 1.00 0.00 C ATOM 1442 O ASN B 567 -3.674 -5.447 3.906 1.00 0.00 O ATOM 1443 CB ASN B 567 -0.873 -5.515 5.566 1.00 0.01 C ATOM 1444 CG ASN B 567 0.226 -6.460 6.006 1.00 1.12 C ATOM 1445 OD1 ASN B 567 1.124 -5.969 6.851 1.00 1.94 O flip ATOM 1446 ND2 ASN B 567 0.270 -7.617 5.589 1.00 1.91 N flip ATOM 0 H ASN B 567 0.679 -5.205 3.677 1.00 0.00 H new ATOM 0 HA ASN B 567 -1.535 -6.810 3.976 1.00 0.00 H new ATOM 0 HB2 ASN B 567 -0.531 -4.486 5.676 1.00 0.01 H new ATOM 0 HB3 ASN B 567 -1.737 -5.635 6.220 1.00 0.01 H new ATOM 0 HD21 ASN B 567 -0.442 -7.953 4.940 1.00 1.91 H new ATOM 0 HD22 ASN B 567 1.018 -8.240 5.892 1.00 1.91 H new ATOM 1453 N LYS B 568 -2.393 -3.680 3.422 1.00 0.00 N ATOM 1454 CA LYS B 568 -3.539 -2.831 3.120 1.00 0.00 C ATOM 1455 C LYS B 568 -4.157 -3.254 1.800 1.00 0.00 C ATOM 1456 O LYS B 568 -5.361 -3.143 1.614 1.00 0.00 O ATOM 1457 CB LYS B 568 -3.109 -1.363 3.046 1.00 0.02 C ATOM 1458 CG LYS B 568 -4.164 -0.442 2.446 1.00 0.94 C ATOM 1459 CD LYS B 568 -3.576 0.902 2.046 1.00 1.74 C ATOM 1460 CE LYS B 568 -2.598 0.768 0.888 1.00 2.68 C ATOM 1461 NZ LYS B 568 -1.983 2.075 0.529 1.00 3.53 N ATOM 0 H LYS B 568 -1.485 -3.228 3.317 1.00 0.00 H new ATOM 0 HA LYS B 568 -4.277 -2.940 3.915 1.00 0.00 H new ATOM 0 HB2 LYS B 568 -2.865 -1.015 4.050 1.00 0.02 H new ATOM 0 HB3 LYS B 568 -2.197 -1.291 2.453 1.00 0.02 H new ATOM 0 HG2 LYS B 568 -4.609 -0.919 1.573 1.00 0.94 H new ATOM 0 HG3 LYS B 568 -4.966 -0.288 3.168 1.00 0.94 H new ATOM 0 HD2 LYS B 568 -4.381 1.582 1.766 1.00 1.74 H new ATOM 0 HD3 LYS B 568 -3.067 1.346 2.902 1.00 1.74 H new ATOM 0 HE2 LYS B 568 -1.814 0.059 1.154 1.00 2.68 H new ATOM 0 HE3 LYS B 568 -3.116 0.360 0.020 1.00 2.68 H new ATOM 0 HZ1 LYS B 568 -1.323 1.942 -0.264 1.00 3.53 H new ATOM 0 HZ2 LYS B 568 -2.728 2.745 0.250 1.00 3.53 H new ATOM 0 HZ3 LYS B 568 -1.467 2.453 1.349 1.00 3.53 H new ATOM 1475 N LEU B 569 -3.317 -3.729 0.890 1.00 0.00 N ATOM 1476 CA LEU B 569 -3.775 -4.229 -0.391 1.00 0.00 C ATOM 1477 C LEU B 569 -4.585 -5.516 -0.158 1.00 0.00 C ATOM 1478 O LEU B 569 -5.571 -5.769 -0.841 1.00 0.00 O ATOM 1479 CB LEU B 569 -2.588 -4.511 -1.315 1.00 0.05 C ATOM 1480 CG LEU B 569 -2.355 -3.474 -2.417 1.00 1.14 C ATOM 1481 CD1 LEU B 569 -2.068 -2.105 -1.820 1.00 2.01 C ATOM 1482 CD2 LEU B 569 -1.214 -3.914 -3.322 1.00 1.89 C ATOM 0 H LEU B 569 -2.307 -3.777 1.021 1.00 0.00 H new ATOM 0 HA LEU B 569 -4.403 -3.478 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU B 569 -1.685 -4.581 -0.708 1.00 0.05 H new ATOM 0 HB3 LEU B 569 -2.735 -5.485 -1.781 1.00 0.05 H new ATOM 0 HG LEU B 569 -3.263 -3.397 -3.015 1.00 1.14 H new ATOM 0 HD11 LEU B 569 -1.906 -1.385 -2.622 1.00 2.01 H new ATOM 0 HD12 LEU B 569 -2.916 -1.788 -1.213 1.00 2.01 H new ATOM 0 HD13 LEU B 569 -1.176 -2.160 -1.196 1.00 2.01 H new ATOM 0 HD21 LEU B 569 -1.059 -3.168 -4.101 1.00 1.89 H new ATOM 0 HD22 LEU B 569 -0.303 -4.019 -2.733 1.00 1.89 H new ATOM 0 HD23 LEU B 569 -1.462 -4.871 -3.781 1.00 1.89 H new ATOM 1494 N PHE B 570 -4.158 -6.321 0.813 1.00 0.00 N ATOM 1495 CA PHE B 570 -4.869 -7.553 1.147 1.00 0.00 C ATOM 1496 C PHE B 570 -6.244 -7.222 1.698 1.00 0.00 C ATOM 1497 O PHE B 570 -7.226 -7.900 1.395 1.00 0.00 O ATOM 1498 CB PHE B 570 -4.052 -8.380 2.157 1.00 0.02 C ATOM 1499 CG PHE B 570 -4.823 -8.844 3.369 1.00 1.32 C ATOM 1500 CD1 PHE B 570 -5.739 -9.878 3.265 1.00 2.04 C ATOM 1501 CD2 PHE B 570 -4.636 -8.245 4.607 1.00 1.92 C ATOM 1502 CE1 PHE B 570 -6.454 -10.306 4.368 1.00 3.25 C ATOM 1503 CE2 PHE B 570 -5.347 -8.670 5.713 1.00 3.12 C ATOM 1504 CZ PHE B 570 -6.228 -9.698 5.613 1.00 3.77 C ATOM 0 H PHE B 570 -3.328 -6.144 1.379 1.00 0.00 H new ATOM 0 HA PHE B 570 -4.996 -8.151 0.245 1.00 0.00 H new ATOM 0 HB2 PHE B 570 -3.647 -9.253 1.646 1.00 0.02 H new ATOM 0 HB3 PHE B 570 -3.203 -7.783 2.491 1.00 0.02 H new ATOM 0 HD1 PHE B 570 -5.897 -10.356 2.310 1.00 2.04 H new ATOM 0 HD2 PHE B 570 -3.926 -7.437 4.707 1.00 1.92 H new ATOM 0 HE1 PHE B 570 -7.179 -11.100 4.273 1.00 3.25 H new ATOM 0 HE2 PHE B 570 -5.201 -8.180 6.665 1.00 3.12 H new ATOM 0 HZ PHE B 570 -6.754 -10.047 6.489 1.00 3.77 H new ATOM 1514 N GLU B 571 -6.313 -6.170 2.508 1.00 0.00 N ATOM 1515 CA GLU B 571 -7.598 -5.735 3.025 1.00 0.00 C ATOM 1516 C GLU B 571 -8.563 -5.412 1.871 1.00 0.00 C ATOM 1517 O GLU B 571 -9.660 -5.950 1.803 1.00 0.00 O ATOM 1518 CB GLU B 571 -7.421 -4.508 3.925 1.00 0.01 C ATOM 1519 CG GLU B 571 -8.700 -4.073 4.623 1.00 1.13 C ATOM 1520 CD GLU B 571 -8.465 -2.964 5.631 1.00 1.67 C ATOM 1521 OE1 GLU B 571 -8.524 -1.781 5.235 1.00 2.47 O ATOM 1522 OE2 GLU B 571 -8.222 -3.280 6.814 1.00 1.97 O ATOM 0 H GLU B 571 -5.512 -5.617 2.813 1.00 0.00 H new ATOM 0 HA GLU B 571 -8.024 -6.546 3.616 1.00 0.00 H new ATOM 0 HB2 GLU B 571 -6.663 -4.726 4.677 1.00 0.01 H new ATOM 0 HB3 GLU B 571 -7.045 -3.679 3.325 1.00 0.01 H new ATOM 0 HG2 GLU B 571 -9.420 -3.735 3.877 1.00 1.13 H new ATOM 0 HG3 GLU B 571 -9.144 -4.931 5.129 1.00 1.13 H new ATOM 1529 N PHE B 572 -8.131 -4.553 0.952 1.00 0.00 N ATOM 1530 CA PHE B 572 -8.976 -4.133 -0.141 1.00 0.00 C ATOM 1531 C PHE B 572 -9.403 -5.282 -1.087 1.00 0.00 C ATOM 1532 O PHE B 572 -10.263 -5.083 -1.934 1.00 0.00 O ATOM 1533 CB PHE B 572 -8.268 -3.041 -0.949 1.00 0.03 C ATOM 1534 CG PHE B 572 -8.277 -1.688 -0.285 1.00 0.34 C ATOM 1535 CD1 PHE B 572 -7.942 -1.560 1.052 1.00 1.02 C ATOM 1536 CD2 PHE B 572 -8.618 -0.548 -0.998 1.00 1.03 C ATOM 1537 CE1 PHE B 572 -7.946 -0.323 1.667 1.00 1.21 C ATOM 1538 CE2 PHE B 572 -8.625 0.692 -0.387 1.00 1.23 C ATOM 1539 CZ PHE B 572 -8.304 0.812 0.931 1.00 0.99 C ATOM 0 H PHE B 572 -7.199 -4.139 0.950 1.00 0.00 H new ATOM 0 HA PHE B 572 -9.892 -3.753 0.312 1.00 0.00 H new ATOM 0 HB2 PHE B 572 -7.235 -3.343 -1.123 1.00 0.03 H new ATOM 0 HB3 PHE B 572 -8.744 -2.959 -1.926 1.00 0.03 H new ATOM 0 HD1 PHE B 572 -7.674 -2.438 1.621 1.00 1.02 H new ATOM 0 HD2 PHE B 572 -8.881 -0.630 -2.042 1.00 1.03 H new ATOM 0 HE1 PHE B 572 -7.675 -0.233 2.708 1.00 1.21 H new ATOM 0 HE2 PHE B 572 -8.887 1.571 -0.958 1.00 1.23 H new ATOM 0 HZ PHE B 572 -8.326 1.781 1.407 1.00 0.99 H new ATOM 1549 N MET B 573 -8.818 -6.466 -0.944 1.00 0.00 N ATOM 1550 CA MET B 573 -9.197 -7.588 -1.780 1.00 0.00 C ATOM 1551 C MET B 573 -10.523 -8.156 -1.303 1.00 0.00 C ATOM 1552 O MET B 573 -11.112 -9.053 -1.931 1.00 0.00 O ATOM 1553 CB MET B 573 -8.113 -8.668 -1.752 1.00 0.03 C ATOM 1554 CG MET B 573 -6.810 -8.240 -2.405 1.00 0.87 C ATOM 1555 SD MET B 573 -5.615 -9.585 -2.518 1.00 1.42 S ATOM 1556 CE MET B 573 -4.245 -8.756 -3.321 1.00 2.11 C ATOM 0 H MET B 573 -8.087 -6.668 -0.262 1.00 0.00 H new ATOM 0 HA MET B 573 -9.307 -7.242 -2.808 1.00 0.00 H new ATOM 0 HB2 MET B 573 -7.916 -8.947 -0.717 1.00 0.03 H new ATOM 0 HB3 MET B 573 -8.487 -9.559 -2.256 1.00 0.03 H new ATOM 0 HG2 MET B 573 -7.017 -7.859 -3.405 1.00 0.87 H new ATOM 0 HG3 MET B 573 -6.375 -7.419 -1.835 1.00 0.87 H new ATOM 0 HE1 MET B 573 -3.425 -9.460 -3.461 1.00 2.11 H new ATOM 0 HE2 MET B 573 -4.567 -8.377 -4.291 1.00 2.11 H new ATOM 0 HE3 MET B 573 -3.908 -7.925 -2.701 1.00 2.11 H new ATOM 1566 N HIS B 574 -10.994 -7.608 -0.191 1.00 0.00 N ATOM 1567 CA HIS B 574 -12.310 -7.939 0.328 1.00 0.00 C ATOM 1568 C HIS B 574 -13.278 -6.776 0.171 1.00 0.00 C ATOM 1569 O HIS B 574 -14.435 -6.876 0.562 1.00 0.00 O ATOM 1570 CB HIS B 574 -12.211 -8.328 1.804 1.00 0.02 C ATOM 1571 CG HIS B 574 -11.305 -9.490 2.058 1.00 1.30 C ATOM 1572 ND1 HIS B 574 -9.930 -9.395 2.026 1.00 2.28 N ATOM 1573 CD2 HIS B 574 -11.583 -10.783 2.345 1.00 2.30 C ATOM 1574 CE1 HIS B 574 -9.403 -10.578 2.283 1.00 3.20 C ATOM 1575 NE2 HIS B 574 -10.385 -11.439 2.481 1.00 3.20 N ATOM 0 H HIS B 574 -10.480 -6.929 0.370 1.00 0.00 H new ATOM 0 HA HIS B 574 -12.692 -8.782 -0.248 1.00 0.00 H new ATOM 0 HB2 HIS B 574 -11.856 -7.470 2.374 1.00 0.02 H new ATOM 0 HB3 HIS B 574 -13.207 -8.567 2.176 1.00 0.02 H new ATOM 0 HD2 HIS B 574 -12.566 -11.218 2.448 1.00 2.30 H new ATOM 0 HE1 HIS B 574 -8.348 -10.804 2.324 1.00 3.20 H new ATOM 0 HE2 HIS B 574 -10.272 -12.429 2.699 1.00 3.20 H new ATOM 1584 N GLU B 575 -12.785 -5.671 -0.388 1.00 0.00 N ATOM 1585 CA GLU B 575 -13.612 -4.499 -0.648 1.00 0.00 C ATOM 1586 C GLU B 575 -14.619 -4.804 -1.743 1.00 0.00 C ATOM 1587 O GLU B 575 -14.261 -5.307 -2.811 1.00 0.00 O ATOM 1588 CB GLU B 575 -12.742 -3.308 -1.048 1.00 0.02 C ATOM 1589 CG GLU B 575 -13.531 -2.030 -1.290 1.00 0.96 C ATOM 1590 CD GLU B 575 -14.402 -1.653 -0.108 1.00 1.15 C ATOM 1591 OE1 GLU B 575 -13.844 -1.283 0.947 1.00 1.55 O ATOM 1592 OE2 GLU B 575 -15.641 -1.726 -0.238 1.00 1.55 O ATOM 0 H GLU B 575 -11.810 -5.566 -0.670 1.00 0.00 H new ATOM 0 HA GLU B 575 -14.149 -4.243 0.265 1.00 0.00 H new ATOM 0 HB2 GLU B 575 -12.006 -3.127 -0.265 1.00 0.02 H new ATOM 0 HB3 GLU B 575 -12.189 -3.560 -1.953 1.00 0.02 H new ATOM 0 HG2 GLU B 575 -12.840 -1.215 -1.502 1.00 0.96 H new ATOM 0 HG3 GLU B 575 -14.157 -2.155 -2.173 1.00 0.96 H new ATOM 1599 N THR B 576 -15.881 -4.491 -1.487 1.00 0.00 N ATOM 1600 CA THR B 576 -16.917 -4.801 -2.451 1.00 0.00 C ATOM 1601 C THR B 576 -17.121 -3.694 -3.488 1.00 0.00 C ATOM 1602 O THR B 576 -17.651 -3.946 -4.569 1.00 0.00 O ATOM 1603 CB THR B 576 -18.261 -5.071 -1.746 1.00 0.00 C ATOM 1604 OG1 THR B 576 -18.058 -5.931 -0.619 1.00 1.33 O ATOM 1605 CG2 THR B 576 -19.256 -5.716 -2.701 1.00 1.40 C ATOM 0 H THR B 576 -16.205 -4.031 -0.636 1.00 0.00 H new ATOM 0 HA THR B 576 -16.577 -5.695 -2.973 1.00 0.00 H new ATOM 0 HB THR B 576 -18.666 -4.116 -1.411 1.00 0.00 H new ATOM 0 HG1 THR B 576 -18.916 -6.097 -0.175 1.00 1.33 H new ATOM 0 HG21 THR B 576 -20.196 -5.896 -2.180 1.00 1.40 H new ATOM 0 HG22 THR B 576 -19.432 -5.051 -3.547 1.00 1.40 H new ATOM 0 HG23 THR B 576 -18.853 -6.663 -3.061 1.00 1.40 H new ATOM 1613 N HIS B 577 -16.701 -2.474 -3.170 1.00 0.00 N ATOM 1614 CA HIS B 577 -16.953 -1.349 -4.069 1.00 0.00 C ATOM 1615 C HIS B 577 -16.317 -1.545 -5.451 1.00 0.00 C ATOM 1616 O HIS B 577 -15.130 -1.835 -5.574 1.00 0.00 O ATOM 1617 CB HIS B 577 -16.461 -0.041 -3.457 1.00 0.04 C ATOM 1618 CG HIS B 577 -17.025 1.161 -4.146 1.00 1.15 C ATOM 1619 ND1 HIS B 577 -17.845 1.075 -5.252 1.00 2.11 N ATOM 1620 CD2 HIS B 577 -16.895 2.479 -3.883 1.00 2.04 C ATOM 1621 CE1 HIS B 577 -18.192 2.288 -5.637 1.00 2.85 C ATOM 1622 NE2 HIS B 577 -17.630 3.160 -4.821 1.00 2.79 N ATOM 0 H HIS B 577 -16.195 -2.239 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 577 -18.033 -1.302 -4.206 1.00 0.00 H new ATOM 0 HB2 HIS B 577 -16.733 -0.012 -2.402 1.00 0.04 H new ATOM 0 HB3 HIS B 577 -15.373 -0.007 -3.507 1.00 0.04 H new ATOM 0 HD1 HIS B 577 -18.138 0.208 -5.702 1.00 2.11 H new ATOM 0 HD2 HIS B 577 -16.318 2.917 -3.082 1.00 2.04 H new ATOM 0 HE1 HIS B 577 -18.828 2.527 -6.477 1.00 2.85 H new ATOM 1631 N ASP B 578 -17.138 -1.382 -6.485 1.00 0.00 N ATOM 1632 CA ASP B 578 -16.760 -1.695 -7.860 1.00 0.00 C ATOM 1633 C ASP B 578 -15.362 -1.179 -8.232 1.00 0.00 C ATOM 1634 O ASP B 578 -15.059 -0.001 -8.049 1.00 0.00 O ATOM 1635 CB ASP B 578 -17.791 -1.112 -8.827 1.00 0.00 C ATOM 1636 CG ASP B 578 -19.181 -1.668 -8.592 1.00 1.37 C ATOM 1637 OD1 ASP B 578 -19.898 -1.124 -7.727 1.00 2.04 O ATOM 1638 OD2 ASP B 578 -19.551 -2.648 -9.272 1.00 2.15 O ATOM 0 H ASP B 578 -18.090 -1.027 -6.392 1.00 0.00 H new ATOM 0 HA ASP B 578 -16.733 -2.782 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP B 578 -17.813 -0.028 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP B 578 -17.486 -1.325 -9.851 1.00 0.00 H new ATOM 1643 N GLY B 579 -14.512 -2.082 -8.723 1.00 0.00 N ATOM 1644 CA GLY B 579 -13.191 -1.721 -9.219 1.00 0.00 C ATOM 1645 C GLY B 579 -12.038 -1.884 -8.243 1.00 0.00 C ATOM 1646 O GLY B 579 -10.928 -2.213 -8.634 1.00 0.00 O ATOM 0 H GLY B 579 -14.722 -3.078 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY B 579 -12.980 -2.325 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY B 579 -13.220 -0.681 -9.544 1.00 0.00 H new ATOM 1650 N VAL B 580 -12.298 -1.635 -6.966 1.00 0.00 N ATOM 1651 CA VAL B 580 -11.264 -1.661 -5.944 1.00 0.00 C ATOM 1652 C VAL B 580 -10.474 -2.960 -5.926 1.00 0.00 C ATOM 1653 O VAL B 580 -9.240 -2.942 -5.857 1.00 0.00 O ATOM 1654 CB VAL B 580 -11.878 -1.436 -4.548 1.00 0.05 C ATOM 1655 CG1 VAL B 580 -10.802 -1.445 -3.476 1.00 1.28 C ATOM 1656 CG2 VAL B 580 -12.663 -0.133 -4.512 1.00 1.29 C ATOM 0 H VAL B 580 -13.228 -1.410 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 580 -10.575 -0.854 -6.195 1.00 0.00 H new ATOM 0 HB VAL B 580 -12.566 -2.256 -4.343 1.00 0.05 H new ATOM 0 HG11 VAL B 580 -11.260 -1.284 -2.500 1.00 1.28 H new ATOM 0 HG12 VAL B 580 -10.290 -2.407 -3.483 1.00 1.28 H new ATOM 0 HG13 VAL B 580 -10.083 -0.650 -3.675 1.00 1.28 H new ATOM 0 HG21 VAL B 580 -13.089 0.008 -3.519 1.00 1.29 H new ATOM 0 HG22 VAL B 580 -11.998 0.699 -4.743 1.00 1.29 H new ATOM 0 HG23 VAL B 580 -13.466 -0.171 -5.248 1.00 1.29 H new ATOM 1666 N GLN B 581 -11.181 -4.086 -5.981 1.00 0.00 N ATOM 1667 CA GLN B 581 -10.528 -5.396 -5.966 1.00 0.00 C ATOM 1668 C GLN B 581 -9.561 -5.580 -7.142 1.00 0.00 C ATOM 1669 O GLN B 581 -8.472 -6.117 -6.987 1.00 0.00 O ATOM 1670 CB GLN B 581 -11.576 -6.508 -5.994 1.00 0.01 C ATOM 1671 CG GLN B 581 -12.429 -6.578 -4.739 1.00 1.21 C ATOM 1672 CD GLN B 581 -13.467 -7.681 -4.800 1.00 1.41 C ATOM 1673 OE1 GLN B 581 -13.951 -8.039 -5.875 1.00 1.90 O ATOM 1674 NE2 GLN B 581 -13.818 -8.228 -3.641 1.00 1.99 N ATOM 0 H GLN B 581 -12.199 -4.120 -6.036 1.00 0.00 H new ATOM 0 HA GLN B 581 -9.948 -5.451 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN B 581 -12.226 -6.360 -6.856 1.00 0.01 H new ATOM 0 HB3 GLN B 581 -11.073 -7.465 -6.134 1.00 0.01 H new ATOM 0 HG2 GLN B 581 -11.785 -6.738 -3.875 1.00 1.21 H new ATOM 0 HG3 GLN B 581 -12.929 -5.621 -4.591 1.00 1.21 H new ATOM 0 HE21 GLN B 581 -13.392 -7.902 -2.773 1.00 1.99 H new ATOM 0 HE22 GLN B 581 -14.513 -8.974 -3.619 1.00 1.99 H new ATOM 1683 N ASP B 582 -9.981 -5.145 -8.321 1.00 0.00 N ATOM 1684 CA ASP B 582 -9.102 -5.107 -9.473 1.00 0.00 C ATOM 1685 C ASP B 582 -7.888 -4.203 -9.245 1.00 0.00 C ATOM 1686 O ASP B 582 -6.774 -4.569 -9.597 1.00 0.00 O ATOM 1687 CB ASP B 582 -9.868 -4.637 -10.710 1.00 0.00 C ATOM 1688 CG ASP B 582 -8.995 -4.593 -11.949 1.00 1.21 C ATOM 1689 OD1 ASP B 582 -8.918 -5.618 -12.658 1.00 1.15 O ATOM 1690 OD2 ASP B 582 -8.388 -3.533 -12.211 1.00 2.23 O ATOM 0 H ASP B 582 -10.928 -4.813 -8.502 1.00 0.00 H new ATOM 0 HA ASP B 582 -8.736 -6.122 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP B 582 -10.711 -5.304 -10.887 1.00 0.00 H new ATOM 0 HB3 ASP B 582 -10.280 -3.645 -10.524 1.00 0.00 H new ATOM 1695 N MET B 583 -8.111 -3.035 -8.640 1.00 0.00 N ATOM 1696 CA MET B 583 -7.012 -2.149 -8.291 1.00 0.00 C ATOM 1697 C MET B 583 -6.063 -2.836 -7.326 1.00 0.00 C ATOM 1698 O MET B 583 -4.845 -2.842 -7.539 1.00 0.00 O ATOM 1699 CB MET B 583 -7.546 -0.857 -7.669 1.00 0.02 C ATOM 1700 CG MET B 583 -8.406 -0.034 -8.614 1.00 1.14 C ATOM 1701 SD MET B 583 -7.486 0.586 -10.036 1.00 1.87 S ATOM 1702 CE MET B 583 -8.758 1.525 -10.875 1.00 2.58 C ATOM 0 H MET B 583 -9.036 -2.688 -8.386 1.00 0.00 H new ATOM 0 HA MET B 583 -6.467 -1.902 -9.202 1.00 0.00 H new ATOM 0 HB2 MET B 583 -8.131 -1.105 -6.783 1.00 0.02 H new ATOM 0 HB3 MET B 583 -6.704 -0.250 -7.336 1.00 0.02 H new ATOM 0 HG2 MET B 583 -9.239 -0.644 -8.964 1.00 1.14 H new ATOM 0 HG3 MET B 583 -8.834 0.807 -8.069 1.00 1.14 H new ATOM 0 HE1 MET B 583 -8.344 1.973 -11.778 1.00 2.58 H new ATOM 0 HE2 MET B 583 -9.582 0.863 -11.143 1.00 2.58 H new ATOM 0 HE3 MET B 583 -9.124 2.312 -10.215 1.00 2.58 H new ATOM 1712 N ALA B 584 -6.623 -3.418 -6.265 1.00 0.00 N ATOM 1713 CA ALA B 584 -5.814 -4.058 -5.234 1.00 0.00 C ATOM 1714 C ALA B 584 -4.913 -5.144 -5.814 1.00 0.00 C ATOM 1715 O ALA B 584 -3.734 -5.231 -5.460 1.00 0.00 O ATOM 1716 CB ALA B 584 -6.711 -4.642 -4.154 1.00 0.03 C ATOM 0 H ALA B 584 -7.629 -3.458 -6.100 1.00 0.00 H new ATOM 0 HA ALA B 584 -5.170 -3.295 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA B 584 -6.097 -5.118 -3.389 1.00 0.03 H new ATOM 0 HB2 ALA B 584 -7.302 -3.845 -3.702 1.00 0.03 H new ATOM 0 HB3 ALA B 584 -7.378 -5.382 -4.596 1.00 0.03 H new ATOM 1722 N CYS B 585 -5.454 -5.954 -6.719 1.00 0.00 N ATOM 1723 CA CYS B 585 -4.674 -7.046 -7.273 1.00 0.00 C ATOM 1724 C CYS B 585 -3.636 -6.556 -8.267 1.00 0.00 C ATOM 1725 O CYS B 585 -2.510 -7.049 -8.286 1.00 0.00 O ATOM 1726 CB CYS B 585 -5.591 -8.070 -7.945 1.00 0.01 C ATOM 1727 SG CYS B 585 -6.407 -7.467 -9.440 1.00 1.50 S ATOM 0 H CYS B 585 -6.407 -5.876 -7.075 1.00 0.00 H new ATOM 0 HA CYS B 585 -4.147 -7.518 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS B 585 -5.006 -8.955 -8.196 1.00 0.01 H new ATOM 0 HB3 CYS B 585 -6.352 -8.383 -7.230 1.00 0.01 H new ATOM 0 HG CYS B 585 -6.510 -6.172 -9.386 1.00 1.50 H new ATOM 1733 N ASP B 586 -4.026 -5.593 -9.100 1.00 0.00 N ATOM 1734 CA ASP B 586 -3.142 -5.025 -10.110 1.00 0.00 C ATOM 1735 C ASP B 586 -1.896 -4.397 -9.489 1.00 0.00 C ATOM 1736 O ASP B 586 -0.785 -4.635 -9.949 1.00 0.00 O ATOM 1737 CB ASP B 586 -3.892 -3.978 -10.936 1.00 0.01 C ATOM 1738 CG ASP B 586 -3.037 -3.389 -12.040 1.00 0.98 C ATOM 1739 OD1 ASP B 586 -2.355 -2.374 -11.786 1.00 1.98 O ATOM 1740 OD2 ASP B 586 -3.049 -3.943 -13.160 1.00 0.87 O ATOM 0 H ASP B 586 -4.962 -5.187 -9.092 1.00 0.00 H new ATOM 0 HA ASP B 586 -2.818 -5.840 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP B 586 -4.781 -4.433 -11.373 1.00 0.01 H new ATOM 0 HB3 ASP B 586 -4.233 -3.178 -10.279 1.00 0.01 H new ATOM 1745 N THR B 587 -2.104 -3.607 -8.433 1.00 0.00 N ATOM 1746 CA THR B 587 -1.033 -3.003 -7.668 1.00 0.00 C ATOM 1747 C THR B 587 -0.170 -4.073 -7.030 1.00 0.00 C ATOM 1748 O THR B 587 1.061 -3.979 -7.012 1.00 0.00 O ATOM 1749 CB THR B 587 -1.580 -2.058 -6.585 1.00 0.03 C ATOM 1750 OG1 THR B 587 -2.533 -2.748 -5.768 1.00 1.24 O ATOM 1751 CG2 THR B 587 -2.233 -0.843 -7.223 1.00 1.30 C ATOM 0 H THR B 587 -3.035 -3.372 -8.089 1.00 0.00 H new ATOM 0 HA THR B 587 -0.426 -2.416 -8.357 1.00 0.00 H new ATOM 0 HB THR B 587 -0.749 -1.725 -5.963 1.00 0.03 H new ATOM 0 HG1 THR B 587 -3.394 -2.789 -6.234 1.00 1.24 H new ATOM 0 HG21 THR B 587 -2.615 -0.184 -6.443 1.00 1.30 H new ATOM 0 HG22 THR B 587 -1.497 -0.307 -7.823 1.00 1.30 H new ATOM 0 HG23 THR B 587 -3.056 -1.165 -7.861 1.00 1.30 H new ATOM 1759 N PHE B 588 -0.814 -5.108 -6.515 1.00 0.00 N ATOM 1760 CA PHE B 588 -0.096 -6.176 -5.828 1.00 0.00 C ATOM 1761 C PHE B 588 0.882 -6.873 -6.766 1.00 0.00 C ATOM 1762 O PHE B 588 1.939 -7.343 -6.346 1.00 0.00 O ATOM 1763 CB PHE B 588 -1.084 -7.192 -5.250 1.00 0.02 C ATOM 1764 CG PHE B 588 -0.426 -8.334 -4.526 1.00 0.16 C ATOM 1765 CD1 PHE B 588 0.109 -8.152 -3.261 1.00 0.40 C ATOM 1766 CD2 PHE B 588 -0.342 -9.586 -5.112 1.00 0.45 C ATOM 1767 CE1 PHE B 588 0.716 -9.200 -2.594 1.00 0.49 C ATOM 1768 CE2 PHE B 588 0.264 -10.637 -4.450 1.00 0.51 C ATOM 1769 CZ PHE B 588 0.794 -10.444 -3.190 1.00 0.53 C ATOM 0 H PHE B 588 -1.825 -5.234 -6.558 1.00 0.00 H new ATOM 0 HA PHE B 588 0.474 -5.729 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE B 588 -1.758 -6.679 -4.564 1.00 0.02 H new ATOM 0 HB3 PHE B 588 -1.695 -7.591 -6.059 1.00 0.02 H new ATOM 0 HD1 PHE B 588 0.051 -7.181 -2.791 1.00 0.40 H new ATOM 0 HD2 PHE B 588 -0.755 -9.743 -6.098 1.00 0.45 H new ATOM 0 HE1 PHE B 588 1.129 -9.046 -1.608 1.00 0.49 H new ATOM 0 HE2 PHE B 588 0.323 -11.609 -4.918 1.00 0.51 H new ATOM 0 HZ PHE B 588 1.269 -11.264 -2.671 1.00 0.53 H new ATOM 1779 N ILE B 589 0.546 -6.951 -8.044 1.00 0.00 N ATOM 1780 CA ILE B 589 1.425 -7.699 -8.903 1.00 0.00 C ATOM 1781 C ILE B 589 2.627 -6.843 -9.281 1.00 0.00 C ATOM 1782 O ILE B 589 3.743 -7.345 -9.374 1.00 0.00 O ATOM 1783 CB ILE B 589 0.724 -8.220 -10.176 1.00 0.03 C ATOM 1784 CG1 ILE B 589 0.130 -7.069 -10.987 1.00 1.34 C ATOM 1785 CG2 ILE B 589 -0.357 -9.225 -9.805 1.00 1.31 C ATOM 1786 CD1 ILE B 589 -0.325 -7.471 -12.374 1.00 1.97 C ATOM 0 H ILE B 589 -0.275 -6.533 -8.481 1.00 0.00 H new ATOM 0 HA ILE B 589 1.750 -8.576 -8.343 1.00 0.00 H new ATOM 0 HB ILE B 589 1.469 -8.717 -10.797 1.00 0.03 H new ATOM 0 HG12 ILE B 589 -0.718 -6.653 -10.443 1.00 1.34 H new ATOM 0 HG13 ILE B 589 0.873 -6.276 -11.074 1.00 1.34 H new ATOM 0 HG21 ILE B 589 -0.845 -9.586 -10.711 1.00 1.31 H new ATOM 0 HG22 ILE B 589 0.093 -10.065 -9.276 1.00 1.31 H new ATOM 0 HG23 ILE B 589 -1.095 -8.745 -9.162 1.00 1.31 H new ATOM 0 HD11 ILE B 589 -0.735 -6.602 -12.889 1.00 1.97 H new ATOM 0 HD12 ILE B 589 0.524 -7.859 -12.937 1.00 1.97 H new ATOM 0 HD13 ILE B 589 -1.092 -8.242 -12.296 1.00 1.97 H new ATOM 1798 N LYS B 590 2.395 -5.544 -9.460 1.00 0.00 N ATOM 1799 CA LYS B 590 3.471 -4.610 -9.741 1.00 0.00 C ATOM 1800 C LYS B 590 4.480 -4.705 -8.596 1.00 0.00 C ATOM 1801 O LYS B 590 5.668 -4.884 -8.812 1.00 0.00 O ATOM 1802 CB LYS B 590 2.926 -3.185 -9.871 1.00 0.01 C ATOM 1803 CG LYS B 590 3.934 -2.187 -10.416 1.00 0.99 C ATOM 1804 CD LYS B 590 4.238 -2.442 -11.883 1.00 1.52 C ATOM 1805 CE LYS B 590 5.105 -1.340 -12.469 1.00 2.04 C ATOM 1806 NZ LYS B 590 6.403 -1.215 -11.753 1.00 2.62 N ATOM 0 H LYS B 590 1.469 -5.119 -9.414 1.00 0.00 H new ATOM 0 HA LYS B 590 3.953 -4.859 -10.687 1.00 0.00 H new ATOM 0 HB2 LYS B 590 2.053 -3.199 -10.524 1.00 0.01 H new ATOM 0 HB3 LYS B 590 2.586 -2.846 -8.892 1.00 0.01 H new ATOM 0 HG2 LYS B 590 3.547 -1.175 -10.295 1.00 0.99 H new ATOM 0 HG3 LYS B 590 4.856 -2.247 -9.837 1.00 0.99 H new ATOM 0 HD2 LYS B 590 4.745 -3.401 -11.990 1.00 1.52 H new ATOM 0 HD3 LYS B 590 3.305 -2.510 -12.443 1.00 1.52 H new ATOM 0 HE2 LYS B 590 5.290 -1.546 -13.523 1.00 2.04 H new ATOM 0 HE3 LYS B 590 4.570 -0.392 -12.419 1.00 2.04 H new ATOM 0 HZ1 LYS B 590 7.031 -0.576 -12.281 1.00 2.62 H new ATOM 0 HZ2 LYS B 590 6.239 -0.830 -10.801 1.00 2.62 H new ATOM 0 HZ3 LYS B 590 6.848 -2.152 -11.675 1.00 2.62 H new ATOM 1820 N ILE B 591 3.973 -4.618 -7.375 1.00 0.00 N ATOM 1821 CA ILE B 591 4.790 -4.624 -6.165 1.00 0.00 C ATOM 1822 C ILE B 591 5.548 -5.937 -5.968 1.00 0.00 C ATOM 1823 O ILE B 591 6.730 -5.936 -5.631 1.00 0.00 O ATOM 1824 CB ILE B 591 3.935 -4.335 -4.905 1.00 0.04 C ATOM 1825 CG1 ILE B 591 3.797 -2.827 -4.685 1.00 1.27 C ATOM 1826 CG2 ILE B 591 4.534 -4.993 -3.666 1.00 1.28 C ATOM 1827 CD1 ILE B 591 2.963 -2.129 -5.736 1.00 1.96 C ATOM 0 H ILE B 591 2.973 -4.540 -7.192 1.00 0.00 H new ATOM 0 HA ILE B 591 5.523 -3.828 -6.300 1.00 0.00 H new ATOM 0 HB ILE B 591 2.945 -4.761 -5.071 1.00 0.04 H new ATOM 0 HG12 ILE B 591 3.351 -2.652 -3.706 1.00 1.27 H new ATOM 0 HG13 ILE B 591 4.791 -2.380 -4.668 1.00 1.27 H new ATOM 0 HG21 ILE B 591 3.911 -4.771 -2.799 1.00 1.28 H new ATOM 0 HG22 ILE B 591 4.580 -6.072 -3.813 1.00 1.28 H new ATOM 0 HG23 ILE B 591 5.539 -4.606 -3.499 1.00 1.28 H new ATOM 0 HD11 ILE B 591 2.912 -1.064 -5.511 1.00 1.96 H new ATOM 0 HD12 ILE B 591 3.419 -2.272 -6.716 1.00 1.96 H new ATOM 0 HD13 ILE B 591 1.957 -2.548 -5.739 1.00 1.96 H new ATOM 1839 N ALA B 592 4.878 -7.058 -6.187 1.00 0.00 N ATOM 1840 CA ALA B 592 5.546 -8.354 -6.071 1.00 0.00 C ATOM 1841 C ALA B 592 6.653 -8.529 -7.105 1.00 0.00 C ATOM 1842 O ALA B 592 7.695 -9.084 -6.797 1.00 0.00 O ATOM 1843 CB ALA B 592 4.528 -9.478 -6.198 1.00 0.00 C ATOM 0 H ALA B 592 3.891 -7.103 -6.441 1.00 0.00 H new ATOM 0 HA ALA B 592 6.014 -8.392 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA B 592 5.034 -10.439 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA B 592 3.784 -9.386 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA B 592 4.035 -9.415 -7.168 1.00 0.00 H new ATOM 1849 N GLN B 593 6.438 -8.063 -8.332 1.00 0.00 N ATOM 1850 CA GLN B 593 7.525 -8.107 -9.311 1.00 0.00 C ATOM 1851 C GLN B 593 8.701 -7.236 -8.825 1.00 0.00 C ATOM 1852 O GLN B 593 9.755 -7.731 -8.460 1.00 0.00 O ATOM 1853 CB GLN B 593 7.034 -7.615 -10.675 1.00 0.01 C ATOM 1854 CG GLN B 593 8.100 -7.654 -11.758 1.00 1.09 C ATOM 1855 CD GLN B 593 7.598 -7.137 -13.092 1.00 1.64 C ATOM 1856 OE1 GLN B 593 7.688 -5.943 -13.381 1.00 2.36 O ATOM 1857 NE2 GLN B 593 7.064 -8.034 -13.913 1.00 2.26 N ATOM 0 H GLN B 593 5.560 -7.666 -8.665 1.00 0.00 H new ATOM 0 HA GLN B 593 7.863 -9.138 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN B 593 6.187 -8.226 -10.989 1.00 0.01 H new ATOM 0 HB3 GLN B 593 6.669 -6.593 -10.573 1.00 0.01 H new ATOM 0 HG2 GLN B 593 8.956 -7.058 -11.441 1.00 1.09 H new ATOM 0 HG3 GLN B 593 8.452 -8.679 -11.879 1.00 1.09 H new ATOM 0 HE21 GLN B 593 7.010 -9.013 -13.633 1.00 2.26 H new ATOM 0 HE22 GLN B 593 6.708 -7.744 -14.824 1.00 2.26 H new ATOM 1866 N LYS B 594 8.487 -5.926 -8.837 1.00 0.00 N ATOM 1867 CA LYS B 594 9.502 -4.951 -8.484 1.00 0.00 C ATOM 1868 C LYS B 594 10.150 -5.101 -7.091 1.00 0.00 C ATOM 1869 O LYS B 594 11.267 -4.649 -6.894 1.00 0.00 O ATOM 1870 CB LYS B 594 8.909 -3.545 -8.601 1.00 0.01 C ATOM 1871 CG LYS B 594 8.514 -3.163 -10.018 1.00 0.52 C ATOM 1872 CD LYS B 594 9.732 -3.004 -10.914 1.00 1.21 C ATOM 1873 CE LYS B 594 9.333 -2.670 -12.342 1.00 1.59 C ATOM 1874 NZ LYS B 594 10.520 -2.456 -13.214 1.00 2.19 N ATOM 0 H LYS B 594 7.592 -5.510 -9.096 1.00 0.00 H new ATOM 0 HA LYS B 594 10.312 -5.133 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS B 594 8.032 -3.476 -7.958 1.00 0.01 H new ATOM 0 HB3 LYS B 594 9.635 -2.822 -8.229 1.00 0.01 H new ATOM 0 HG2 LYS B 594 7.855 -3.926 -10.431 1.00 0.52 H new ATOM 0 HG3 LYS B 594 7.950 -2.230 -10.000 1.00 0.52 H new ATOM 0 HD2 LYS B 594 10.374 -2.216 -10.521 1.00 1.21 H new ATOM 0 HD3 LYS B 594 10.315 -3.925 -10.904 1.00 1.21 H new ATOM 0 HE2 LYS B 594 8.725 -3.479 -12.748 1.00 1.59 H new ATOM 0 HE3 LYS B 594 8.713 -1.773 -12.346 1.00 1.59 H new ATOM 0 HZ1 LYS B 594 10.205 -2.231 -14.179 1.00 2.19 H new ATOM 0 HZ2 LYS B 594 11.087 -1.668 -12.842 1.00 2.19 H new ATOM 0 HZ3 LYS B 594 11.098 -3.320 -13.231 1.00 2.19 H new ATOM 1888 N CYS B 595 9.476 -5.739 -6.134 1.00 0.00 N ATOM 1889 CA CYS B 595 10.052 -5.877 -4.792 1.00 0.00 C ATOM 1890 C CYS B 595 10.210 -7.317 -4.326 1.00 0.00 C ATOM 1891 O CYS B 595 10.280 -7.598 -3.130 1.00 0.00 O ATOM 1892 CB CYS B 595 9.208 -5.100 -3.776 1.00 0.01 C ATOM 1893 SG CYS B 595 7.842 -6.045 -3.059 1.00 1.26 S ATOM 0 H CYS B 595 8.554 -6.159 -6.255 1.00 0.00 H new ATOM 0 HA CYS B 595 11.058 -5.463 -4.857 1.00 0.00 H new ATOM 0 HB2 CYS B 595 9.857 -4.755 -2.971 1.00 0.01 H new ATOM 0 HB3 CYS B 595 8.804 -4.212 -4.262 1.00 0.01 H new ATOM 0 HG CYS B 595 7.044 -6.440 -4.006 1.00 1.26 H new ATOM 1899 N ARG B 596 10.322 -8.219 -5.288 1.00 0.00 N ATOM 1900 CA ARG B 596 10.319 -9.659 -5.027 1.00 0.00 C ATOM 1901 C ARG B 596 11.258 -10.140 -3.901 1.00 0.00 C ATOM 1902 O ARG B 596 10.905 -11.049 -3.147 1.00 0.00 O ATOM 1903 CB ARG B 596 10.656 -10.404 -6.319 1.00 0.01 C ATOM 1904 CG ARG B 596 10.625 -11.917 -6.180 1.00 1.21 C ATOM 1905 CD ARG B 596 10.886 -12.606 -7.513 1.00 1.42 C ATOM 1906 NE ARG B 596 9.863 -12.282 -8.504 1.00 2.09 N ATOM 1907 CZ ARG B 596 9.876 -12.730 -9.758 1.00 2.60 C ATOM 1908 NH1 ARG B 596 10.860 -13.515 -10.178 1.00 2.53 N ATOM 1909 NH2 ARG B 596 8.904 -12.391 -10.592 1.00 3.58 N ATOM 0 H ARG B 596 10.418 -7.978 -6.275 1.00 0.00 H new ATOM 0 HA ARG B 596 9.313 -9.883 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG B 596 9.951 -10.105 -7.094 1.00 0.01 H new ATOM 0 HB3 ARG B 596 11.647 -10.099 -6.655 1.00 0.01 H new ATOM 0 HG2 ARG B 596 11.374 -12.232 -5.454 1.00 1.21 H new ATOM 0 HG3 ARG B 596 9.655 -12.228 -5.792 1.00 1.21 H new ATOM 0 HD2 ARG B 596 11.864 -12.308 -7.890 1.00 1.42 H new ATOM 0 HD3 ARG B 596 10.918 -13.685 -7.364 1.00 1.42 H new ATOM 0 HE ARG B 596 9.093 -11.677 -8.219 1.00 2.09 H new ATOM 0 HH11 ARG B 596 11.611 -13.778 -9.539 1.00 2.53 H new ATOM 0 HH12 ARG B 596 10.866 -13.856 -11.139 1.00 2.53 H new ATOM 0 HH21 ARG B 596 8.146 -11.787 -10.273 1.00 3.58 H new ATOM 0 HH22 ARG B 596 8.914 -12.734 -11.553 1.00 3.58 H new ATOM 1923 N ARG B 597 12.452 -9.558 -3.791 1.00 0.00 N ATOM 1924 CA ARG B 597 13.429 -10.039 -2.802 1.00 0.00 C ATOM 1925 C ARG B 597 13.025 -9.746 -1.374 1.00 0.00 C ATOM 1926 O ARG B 597 13.342 -10.505 -0.456 1.00 0.00 O ATOM 1927 CB ARG B 597 14.799 -9.420 -3.079 1.00 0.01 C ATOM 1928 CG ARG B 597 15.300 -9.660 -4.494 1.00 1.27 C ATOM 1929 CD ARG B 597 16.682 -9.064 -4.707 1.00 1.71 C ATOM 1930 NE ARG B 597 17.696 -9.726 -3.891 1.00 2.17 N ATOM 1931 CZ ARG B 597 19.004 -9.612 -4.104 1.00 2.92 C ATOM 1932 NH1 ARG B 597 19.455 -8.859 -5.097 1.00 3.29 N ATOM 1933 NH2 ARG B 597 19.862 -10.251 -3.321 1.00 3.74 N ATOM 0 H ARG B 597 12.766 -8.770 -4.358 1.00 0.00 H new ATOM 0 HA ARG B 597 13.470 -11.123 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG B 597 14.747 -8.346 -2.898 1.00 0.01 H new ATOM 0 HB3 ARG B 597 15.522 -9.827 -2.372 1.00 0.01 H new ATOM 0 HG2 ARG B 597 15.331 -10.731 -4.693 1.00 1.27 H new ATOM 0 HG3 ARG B 597 14.601 -9.223 -5.207 1.00 1.27 H new ATOM 0 HD2 ARG B 597 16.954 -9.146 -5.759 1.00 1.71 H new ATOM 0 HD3 ARG B 597 16.660 -8.001 -4.465 1.00 1.71 H new ATOM 0 HE ARG B 597 17.384 -10.309 -3.114 1.00 2.17 H new ATOM 0 HH11 ARG B 597 18.798 -8.364 -5.701 1.00 3.29 H new ATOM 0 HH12 ARG B 597 20.459 -8.774 -5.257 1.00 3.29 H new ATOM 0 HH21 ARG B 597 19.519 -10.830 -2.555 1.00 3.74 H new ATOM 0 HH22 ARG B 597 20.865 -10.163 -3.485 1.00 3.74 H new ATOM 1947 N HIS B 598 12.336 -8.626 -1.191 1.00 0.00 N ATOM 1948 CA HIS B 598 11.991 -8.130 0.136 1.00 0.00 C ATOM 1949 C HIS B 598 10.947 -8.999 0.816 1.00 0.00 C ATOM 1950 O HIS B 598 10.598 -8.764 1.981 1.00 0.00 O ATOM 1951 CB HIS B 598 11.496 -6.687 0.051 1.00 0.02 C ATOM 1952 CG HIS B 598 12.606 -5.693 -0.075 1.00 0.83 C ATOM 1953 ND1 HIS B 598 13.230 -5.123 1.014 1.00 1.71 N ATOM 1954 CD2 HIS B 598 13.219 -5.181 -1.169 1.00 1.62 C ATOM 1955 CE1 HIS B 598 14.177 -4.304 0.596 1.00 2.14 C ATOM 1956 NE2 HIS B 598 14.191 -4.320 -0.724 1.00 2.04 N ATOM 0 H HIS B 598 12.002 -8.038 -1.955 1.00 0.00 H new ATOM 0 HA HIS B 598 12.896 -8.168 0.742 1.00 0.00 H new ATOM 0 HB2 HIS B 598 10.829 -6.588 -0.805 1.00 0.02 H new ATOM 0 HB3 HIS B 598 10.910 -6.457 0.941 1.00 0.02 H new ATOM 0 HD1 HIS B 598 12.996 -5.306 1.990 1.00 1.71 H new ATOM 0 HD2 HIS B 598 12.986 -5.408 -2.199 1.00 1.62 H new ATOM 0 HE1 HIS B 598 14.830 -3.720 1.227 1.00 2.14 H new ATOM 1965 N PHE B 599 10.462 -10.002 0.091 1.00 0.00 N ATOM 1966 CA PHE B 599 9.402 -10.869 0.597 1.00 0.00 C ATOM 1967 C PHE B 599 9.970 -12.220 0.987 1.00 0.00 C ATOM 1968 O PHE B 599 9.341 -12.989 1.718 1.00 0.00 O ATOM 1969 CB PHE B 599 8.318 -11.061 -0.467 1.00 0.06 C ATOM 1970 CG PHE B 599 7.252 -10.003 -0.454 1.00 1.01 C ATOM 1971 CD1 PHE B 599 7.577 -8.666 -0.286 1.00 1.94 C ATOM 1972 CD2 PHE B 599 5.921 -10.350 -0.613 1.00 1.40 C ATOM 1973 CE1 PHE B 599 6.593 -7.697 -0.278 1.00 2.87 C ATOM 1974 CE2 PHE B 599 4.933 -9.386 -0.606 1.00 2.28 C ATOM 1975 CZ PHE B 599 5.270 -8.059 -0.438 1.00 2.95 C ATOM 0 H PHE B 599 10.785 -10.235 -0.848 1.00 0.00 H new ATOM 0 HA PHE B 599 8.962 -10.396 1.475 1.00 0.00 H new ATOM 0 HB2 PHE B 599 8.788 -11.076 -1.450 1.00 0.06 H new ATOM 0 HB3 PHE B 599 7.850 -12.035 -0.322 1.00 0.06 H new ATOM 0 HD1 PHE B 599 8.611 -8.379 -0.160 1.00 1.94 H new ATOM 0 HD2 PHE B 599 5.652 -11.388 -0.744 1.00 1.40 H new ATOM 0 HE1 PHE B 599 6.858 -6.658 -0.147 1.00 2.87 H new ATOM 0 HE2 PHE B 599 3.899 -9.670 -0.732 1.00 2.28 H new ATOM 0 HZ PHE B 599 4.499 -7.303 -0.432 1.00 2.95 H new ATOM 1985 N VAL B 600 11.172 -12.490 0.491 1.00 0.00 N ATOM 1986 CA VAL B 600 11.843 -13.767 0.675 1.00 0.00 C ATOM 1987 C VAL B 600 12.989 -13.655 1.697 1.00 0.00 C ATOM 1988 O VAL B 600 13.376 -14.627 2.345 1.00 0.00 O ATOM 1989 CB VAL B 600 12.397 -14.315 -0.657 1.00 0.01 C ATOM 1990 CG1 VAL B 600 13.465 -13.393 -1.223 1.00 1.42 C ATOM 1991 CG2 VAL B 600 12.942 -15.724 -0.470 1.00 1.42 C ATOM 0 H VAL B 600 11.712 -11.820 -0.056 1.00 0.00 H new ATOM 0 HA VAL B 600 11.094 -14.462 1.055 1.00 0.00 H new ATOM 0 HB VAL B 600 11.577 -14.357 -1.374 1.00 0.01 H new ATOM 0 HG11 VAL B 600 13.839 -13.802 -2.162 1.00 1.42 H new ATOM 0 HG12 VAL B 600 13.037 -12.407 -1.402 1.00 1.42 H new ATOM 0 HG13 VAL B 600 14.286 -13.308 -0.512 1.00 1.42 H new ATOM 0 HG21 VAL B 600 13.328 -16.094 -1.420 1.00 1.42 H new ATOM 0 HG22 VAL B 600 13.745 -15.709 0.267 1.00 1.42 H new ATOM 0 HG23 VAL B 600 12.144 -16.380 -0.123 1.00 1.42 H new ATOM 2001 N GLN B 601 13.523 -12.455 1.866 1.00 0.00 N ATOM 2002 CA GLN B 601 14.551 -12.265 2.867 1.00 0.00 C ATOM 2003 C GLN B 601 13.992 -11.603 4.128 1.00 0.00 C ATOM 2004 O GLN B 601 13.165 -10.691 4.050 1.00 0.00 O ATOM 2005 CB GLN B 601 15.691 -11.416 2.302 1.00 0.01 C ATOM 2006 CG GLN B 601 16.816 -11.176 3.296 1.00 1.31 C ATOM 2007 CD GLN B 601 17.898 -10.267 2.748 1.00 1.73 C ATOM 2008 OE1 GLN B 601 18.148 -10.238 1.543 1.00 2.34 O ATOM 2009 NE2 GLN B 601 18.546 -9.519 3.633 1.00 2.31 N ATOM 0 H GLN B 601 13.268 -11.621 1.337 1.00 0.00 H new ATOM 0 HA GLN B 601 14.931 -13.250 3.139 1.00 0.00 H new ATOM 0 HB2 GLN B 601 16.096 -11.908 1.418 1.00 0.01 H new ATOM 0 HB3 GLN B 601 15.292 -10.455 1.977 1.00 0.01 H new ATOM 0 HG2 GLN B 601 16.405 -10.737 4.205 1.00 1.31 H new ATOM 0 HG3 GLN B 601 17.258 -12.132 3.576 1.00 1.31 H new ATOM 0 HE21 GLN B 601 18.305 -9.576 4.623 1.00 2.31 H new ATOM 0 HE22 GLN B 601 19.285 -8.888 3.323 1.00 2.31 H new ATOM 2018 N VAL B 602 14.445 -12.077 5.288 1.00 0.00 N ATOM 2019 CA VAL B 602 14.008 -11.533 6.566 1.00 0.00 C ATOM 2020 C VAL B 602 14.394 -10.072 6.626 1.00 0.00 C ATOM 2021 O VAL B 602 15.570 -9.735 6.460 1.00 0.00 O ATOM 2022 CB VAL B 602 14.627 -12.292 7.758 1.00 0.01 C ATOM 2023 CG1 VAL B 602 14.046 -13.693 7.856 1.00 1.37 C ATOM 2024 CG2 VAL B 602 16.143 -12.351 7.636 1.00 1.36 C ATOM 0 H VAL B 602 15.117 -12.840 5.365 1.00 0.00 H new ATOM 0 HA VAL B 602 12.926 -11.647 6.640 1.00 0.00 H new ATOM 0 HB VAL B 602 14.381 -11.749 8.671 1.00 0.01 H new ATOM 0 HG11 VAL B 602 14.494 -14.214 8.702 1.00 1.37 H new ATOM 0 HG12 VAL B 602 12.967 -13.630 7.998 1.00 1.37 H new ATOM 0 HG13 VAL B 602 14.260 -14.241 6.938 1.00 1.37 H new ATOM 0 HG21 VAL B 602 16.556 -12.891 8.488 1.00 1.36 H new ATOM 0 HG22 VAL B 602 16.414 -12.866 6.714 1.00 1.36 H new ATOM 0 HG23 VAL B 602 16.546 -11.338 7.618 1.00 1.36 H new ATOM 2034 N GLN B 603 13.400 -9.208 6.830 1.00 0.00 N ATOM 2035 CA GLN B 603 13.615 -7.762 6.859 1.00 0.00 C ATOM 2036 C GLN B 603 13.858 -7.299 8.288 1.00 0.00 C ATOM 2037 O GLN B 603 13.638 -8.052 9.227 1.00 0.00 O ATOM 2038 CB GLN B 603 12.408 -7.028 6.270 1.00 0.02 C ATOM 2039 CG GLN B 603 11.122 -7.232 7.056 1.00 1.20 C ATOM 2040 CD GLN B 603 9.946 -6.487 6.454 1.00 1.93 C ATOM 2041 OE1 GLN B 603 9.883 -6.282 5.240 1.00 2.58 O ATOM 2042 NE2 GLN B 603 9.008 -6.079 7.299 1.00 2.68 N ATOM 0 H GLN B 603 12.430 -9.488 6.979 1.00 0.00 H new ATOM 0 HA GLN B 603 14.492 -7.530 6.255 1.00 0.00 H new ATOM 0 HB2 GLN B 603 12.630 -5.962 6.224 1.00 0.02 H new ATOM 0 HB3 GLN B 603 12.254 -7.366 5.245 1.00 0.02 H new ATOM 0 HG2 GLN B 603 10.891 -8.296 7.097 1.00 1.20 H new ATOM 0 HG3 GLN B 603 11.271 -6.899 8.083 1.00 1.20 H new ATOM 0 HE21 GLN B 603 9.102 -6.271 8.296 1.00 2.68 H new ATOM 0 HE22 GLN B 603 8.193 -5.573 6.951 1.00 2.68 H new ATOM 2051 N VAL B 604 14.324 -6.066 8.465 1.00 0.00 N ATOM 2052 CA VAL B 604 14.675 -5.602 9.809 1.00 0.00 C ATOM 2053 C VAL B 604 13.453 -5.353 10.692 1.00 0.00 C ATOM 2054 O VAL B 604 12.527 -4.651 10.309 1.00 0.00 O ATOM 2055 CB VAL B 604 15.508 -4.308 9.745 1.00 0.01 C ATOM 2056 CG1 VAL B 604 15.958 -3.885 11.136 1.00 1.27 C ATOM 2057 CG2 VAL B 604 16.703 -4.485 8.822 1.00 1.27 C ATOM 0 H VAL B 604 14.466 -5.384 7.719 1.00 0.00 H new ATOM 0 HA VAL B 604 15.259 -6.406 10.256 1.00 0.00 H new ATOM 0 HB VAL B 604 14.878 -3.517 9.339 1.00 0.01 H new ATOM 0 HG11 VAL B 604 16.545 -2.969 11.066 1.00 1.27 H new ATOM 0 HG12 VAL B 604 15.084 -3.709 11.763 1.00 1.27 H new ATOM 0 HG13 VAL B 604 16.568 -4.674 11.577 1.00 1.27 H new ATOM 0 HG21 VAL B 604 17.279 -3.560 8.790 1.00 1.27 H new ATOM 0 HG22 VAL B 604 17.334 -5.292 9.194 1.00 1.27 H new ATOM 0 HG23 VAL B 604 16.355 -4.730 7.819 1.00 1.27 H new ATOM 2067 N GLY B 605 13.475 -5.932 11.883 1.00 0.00 N ATOM 2068 CA GLY B 605 12.338 -5.851 12.773 1.00 0.00 C ATOM 2069 C GLY B 605 11.399 -7.022 12.602 1.00 0.00 C ATOM 2070 O GLY B 605 10.309 -7.037 13.157 1.00 0.00 O ATOM 0 H GLY B 605 14.267 -6.460 12.250 1.00 0.00 H new ATOM 0 HA2 GLY B 605 12.688 -5.815 13.805 1.00 0.00 H new ATOM 0 HA3 GLY B 605 11.797 -4.923 12.587 1.00 0.00 H new ATOM 2074 N GLU B 606 11.788 -8.000 11.795 1.00 0.00 N ATOM 2075 CA GLU B 606 10.968 -9.197 11.667 1.00 0.00 C ATOM 2076 C GLU B 606 11.816 -10.448 11.811 1.00 0.00 C ATOM 2077 O GLU B 606 13.029 -10.432 11.609 1.00 0.00 O ATOM 2078 CB GLU B 606 10.252 -9.193 10.315 1.00 0.02 C ATOM 2079 CG GLU B 606 9.175 -10.260 10.183 1.00 1.16 C ATOM 2080 CD GLU B 606 8.323 -10.073 8.943 1.00 1.64 C ATOM 2081 OE1 GLU B 606 8.809 -10.383 7.835 1.00 2.51 O ATOM 2082 OE2 GLU B 606 7.167 -9.617 9.079 1.00 1.84 O ATOM 0 H GLU B 606 12.640 -7.992 11.234 1.00 0.00 H new ATOM 0 HA GLU B 606 10.225 -9.197 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 606 9.800 -8.214 10.157 1.00 0.02 H new ATOM 0 HB3 GLU B 606 10.989 -9.335 9.525 1.00 0.02 H new ATOM 0 HG2 GLU B 606 9.644 -11.244 10.153 1.00 1.16 H new ATOM 0 HG3 GLU B 606 8.536 -10.238 11.066 1.00 1.16 H new ATOM 2089 N VAL B 607 11.152 -11.538 12.163 1.00 0.00 N ATOM 2090 CA VAL B 607 11.815 -12.798 12.446 1.00 0.00 C ATOM 2091 C VAL B 607 11.680 -13.796 11.303 1.00 0.00 C ATOM 2092 O VAL B 607 12.486 -14.712 11.186 1.00 0.00 O ATOM 2093 CB VAL B 607 11.266 -13.438 13.737 1.00 0.01 C ATOM 2094 CG1 VAL B 607 12.113 -14.635 14.146 1.00 1.40 C ATOM 2095 CG2 VAL B 607 11.206 -12.413 14.859 1.00 1.40 C ATOM 0 H VAL B 607 10.137 -11.572 12.260 1.00 0.00 H new ATOM 0 HA VAL B 607 12.871 -12.561 12.573 1.00 0.00 H new ATOM 0 HB VAL B 607 10.253 -13.789 13.541 1.00 0.01 H new ATOM 0 HG11 VAL B 607 11.709 -15.072 15.059 1.00 1.40 H new ATOM 0 HG12 VAL B 607 12.099 -15.380 13.350 1.00 1.40 H new ATOM 0 HG13 VAL B 607 13.139 -14.312 14.322 1.00 1.40 H new ATOM 0 HG21 VAL B 607 10.816 -12.884 15.761 1.00 1.40 H new ATOM 0 HG22 VAL B 607 12.207 -12.028 15.054 1.00 1.40 H new ATOM 0 HG23 VAL B 607 10.552 -11.591 14.567 1.00 1.40 H new ATOM 2105 N MET B 608 10.663 -13.622 10.463 1.00 0.00 N ATOM 2106 CA MET B 608 10.375 -14.596 9.410 1.00 0.00 C ATOM 2107 C MET B 608 10.041 -13.937 8.078 1.00 0.00 C ATOM 2108 O MET B 608 9.351 -12.929 8.030 1.00 0.00 O ATOM 2109 CB MET B 608 9.216 -15.499 9.837 1.00 0.01 C ATOM 2110 CG MET B 608 9.509 -16.323 11.081 1.00 1.32 C ATOM 2111 SD MET B 608 10.912 -17.435 10.863 1.00 2.02 S ATOM 2112 CE MET B 608 10.306 -18.496 9.553 1.00 2.68 C ATOM 0 H MET B 608 10.029 -12.824 10.489 1.00 0.00 H new ATOM 0 HA MET B 608 11.280 -15.186 9.266 1.00 0.00 H new ATOM 0 HB2 MET B 608 8.335 -14.883 10.019 1.00 0.01 H new ATOM 0 HB3 MET B 608 8.970 -16.172 9.016 1.00 0.01 H new ATOM 0 HG2 MET B 608 9.708 -15.653 11.917 1.00 1.32 H new ATOM 0 HG3 MET B 608 8.626 -16.906 11.343 1.00 1.32 H new ATOM 0 HE1 MET B 608 10.297 -19.530 9.897 1.00 2.68 H new ATOM 0 HE2 MET B 608 9.295 -18.195 9.280 1.00 2.68 H new ATOM 0 HE3 MET B 608 10.958 -18.409 8.684 1.00 2.68 H new ATOM 2122 N PRO B 609 10.502 -14.539 6.983 1.00 0.00 N ATOM 2123 CA PRO B 609 10.221 -13.994 5.651 1.00 0.00 C ATOM 2124 C PRO B 609 8.719 -13.742 5.432 1.00 0.00 C ATOM 2125 O PRO B 609 7.906 -14.633 5.704 1.00 0.00 O ATOM 2126 CB PRO B 609 10.727 -15.088 4.695 1.00 0.01 C ATOM 2127 CG PRO B 609 10.994 -16.287 5.548 1.00 0.43 C ATOM 2128 CD PRO B 609 11.305 -15.767 6.920 1.00 0.02 C ATOM 0 HA PRO B 609 10.700 -13.027 5.499 1.00 0.00 H new ATOM 0 HB2 PRO B 609 9.984 -15.311 3.929 1.00 0.01 H new ATOM 0 HB3 PRO B 609 11.631 -14.767 4.178 1.00 0.01 H new ATOM 0 HG2 PRO B 609 10.128 -16.949 5.570 1.00 0.43 H new ATOM 0 HG3 PRO B 609 11.829 -16.867 5.154 1.00 0.43 H new ATOM 0 HD2 PRO B 609 11.022 -16.477 7.697 1.00 0.02 H new ATOM 0 HD3 PRO B 609 12.368 -15.564 7.046 1.00 0.02 H new ATOM 2136 N PHE B 610 8.361 -12.550 4.950 1.00 0.00 N ATOM 2137 CA PHE B 610 6.959 -12.149 4.818 1.00 0.00 C ATOM 2138 C PHE B 610 6.160 -13.136 3.949 1.00 0.00 C ATOM 2139 O PHE B 610 4.971 -13.345 4.186 1.00 0.00 O ATOM 2140 CB PHE B 610 6.872 -10.738 4.230 1.00 0.01 C ATOM 2141 CG PHE B 610 5.500 -10.130 4.315 1.00 0.79 C ATOM 2142 CD1 PHE B 610 4.958 -9.777 5.542 1.00 0.80 C ATOM 2143 CD2 PHE B 610 4.754 -9.906 3.169 1.00 1.65 C ATOM 2144 CE1 PHE B 610 3.699 -9.213 5.623 1.00 1.48 C ATOM 2145 CE2 PHE B 610 3.494 -9.343 3.244 1.00 2.37 C ATOM 2146 CZ PHE B 610 2.966 -8.997 4.471 1.00 2.25 C ATOM 0 H PHE B 610 9.028 -11.842 4.643 1.00 0.00 H new ATOM 0 HA PHE B 610 6.516 -12.156 5.814 1.00 0.00 H new ATOM 0 HB2 PHE B 610 7.578 -10.093 4.752 1.00 0.01 H new ATOM 0 HB3 PHE B 610 7.181 -10.770 3.185 1.00 0.01 H new ATOM 0 HD1 PHE B 610 5.527 -9.945 6.445 1.00 0.80 H new ATOM 0 HD2 PHE B 610 5.162 -10.175 2.206 1.00 1.65 H new ATOM 0 HE1 PHE B 610 3.289 -8.942 6.584 1.00 1.48 H new ATOM 0 HE2 PHE B 610 2.923 -9.174 2.343 1.00 2.37 H new ATOM 0 HZ PHE B 610 1.981 -8.558 4.531 1.00 2.25 H new ATOM 2156 N ILE B 611 6.822 -13.748 2.965 1.00 0.00 N ATOM 2157 CA ILE B 611 6.180 -14.735 2.098 1.00 0.00 C ATOM 2158 C ILE B 611 5.442 -15.792 2.937 1.00 0.00 C ATOM 2159 O ILE B 611 4.299 -16.151 2.638 1.00 0.00 O ATOM 2160 CB ILE B 611 7.205 -15.425 1.169 1.00 0.02 C ATOM 2161 CG1 ILE B 611 6.513 -16.471 0.289 1.00 1.20 C ATOM 2162 CG2 ILE B 611 8.324 -16.060 1.979 1.00 1.20 C ATOM 2163 CD1 ILE B 611 5.563 -15.873 -0.726 1.00 1.84 C ATOM 0 H ILE B 611 7.804 -13.576 2.749 1.00 0.00 H new ATOM 0 HA ILE B 611 5.460 -14.204 1.476 1.00 0.00 H new ATOM 0 HB ILE B 611 7.644 -14.667 0.521 1.00 0.02 H new ATOM 0 HG12 ILE B 611 7.272 -17.053 -0.234 1.00 1.20 H new ATOM 0 HG13 ILE B 611 5.963 -17.163 0.926 1.00 1.20 H new ATOM 0 HG21 ILE B 611 9.034 -16.540 1.305 1.00 1.20 H new ATOM 0 HG22 ILE B 611 8.836 -15.291 2.558 1.00 1.20 H new ATOM 0 HG23 ILE B 611 7.906 -16.805 2.656 1.00 1.20 H new ATOM 0 HD11 ILE B 611 5.109 -16.671 -1.314 1.00 1.84 H new ATOM 0 HD12 ILE B 611 4.783 -15.314 -0.209 1.00 1.84 H new ATOM 0 HD13 ILE B 611 6.112 -15.202 -1.387 1.00 1.84 H new ATOM 2175 N ASP B 612 6.113 -16.268 3.984 1.00 0.00 N ATOM 2176 CA ASP B 612 5.564 -17.234 4.919 1.00 0.00 C ATOM 2177 C ASP B 612 4.186 -16.838 5.440 1.00 0.00 C ATOM 2178 O ASP B 612 3.240 -17.629 5.393 1.00 0.00 O ATOM 2179 CB ASP B 612 6.523 -17.439 6.092 1.00 0.01 C ATOM 2180 CG ASP B 612 7.764 -18.206 5.688 1.00 1.14 C ATOM 2181 OD1 ASP B 612 8.405 -17.815 4.690 1.00 2.15 O ATOM 2182 OD2 ASP B 612 8.097 -19.197 6.369 1.00 1.26 O ATOM 0 H ASP B 612 7.068 -15.986 4.205 1.00 0.00 H new ATOM 0 HA ASP B 612 5.444 -18.168 4.370 1.00 0.00 H new ATOM 0 HB2 ASP B 612 6.813 -16.469 6.496 1.00 0.01 H new ATOM 0 HB3 ASP B 612 6.009 -17.976 6.890 1.00 0.01 H new ATOM 2187 N GLU B 613 4.065 -15.621 5.947 1.00 0.00 N ATOM 2188 CA GLU B 613 2.782 -15.154 6.458 1.00 0.00 C ATOM 2189 C GLU B 613 1.740 -15.176 5.355 1.00 0.00 C ATOM 2190 O GLU B 613 0.561 -15.493 5.594 1.00 0.00 O ATOM 2191 CB GLU B 613 2.916 -13.742 7.030 1.00 0.01 C ATOM 2192 CG GLU B 613 3.864 -13.653 8.215 1.00 1.17 C ATOM 2193 CD GLU B 613 4.011 -12.238 8.740 1.00 1.82 C ATOM 2194 OE1 GLU B 613 3.164 -11.816 9.554 1.00 2.11 O ATOM 2195 OE2 GLU B 613 4.974 -11.553 8.336 1.00 2.66 O ATOM 0 H GLU B 613 4.826 -14.946 6.016 1.00 0.00 H new ATOM 0 HA GLU B 613 2.463 -15.823 7.257 1.00 0.00 H new ATOM 0 HB2 GLU B 613 3.266 -13.072 6.244 1.00 0.01 H new ATOM 0 HB3 GLU B 613 1.931 -13.388 7.336 1.00 0.01 H new ATOM 0 HG2 GLU B 613 3.501 -14.297 9.015 1.00 1.17 H new ATOM 0 HG3 GLU B 613 4.843 -14.031 7.921 1.00 1.17 H new ATOM 2202 N ILE B 614 2.169 -14.838 4.143 1.00 0.00 N ATOM 2203 CA ILE B 614 1.252 -14.856 3.012 1.00 0.00 C ATOM 2204 C ILE B 614 0.744 -16.287 2.700 1.00 0.00 C ATOM 2205 O ILE B 614 -0.444 -16.498 2.536 1.00 0.00 O ATOM 2206 CB ILE B 614 1.914 -14.276 1.746 1.00 0.05 C ATOM 2207 CG1 ILE B 614 2.435 -12.862 2.019 1.00 1.10 C ATOM 2208 CG2 ILE B 614 0.925 -14.272 0.587 1.00 1.11 C ATOM 2209 CD1 ILE B 614 3.171 -12.245 0.847 1.00 1.76 C ATOM 0 H ILE B 614 3.124 -14.555 3.922 1.00 0.00 H new ATOM 0 HA ILE B 614 0.403 -14.235 3.297 1.00 0.00 H new ATOM 0 HB ILE B 614 2.760 -14.906 1.472 1.00 0.05 H new ATOM 0 HG12 ILE B 614 1.595 -12.221 2.287 1.00 1.10 H new ATOM 0 HG13 ILE B 614 3.102 -12.891 2.881 1.00 1.10 H new ATOM 0 HG21 ILE B 614 1.406 -13.860 -0.300 1.00 1.11 H new ATOM 0 HG22 ILE B 614 0.600 -15.292 0.383 1.00 1.11 H new ATOM 0 HG23 ILE B 614 0.061 -13.661 0.848 1.00 1.11 H new ATOM 0 HD11 ILE B 614 3.510 -11.245 1.116 1.00 1.76 H new ATOM 0 HD12 ILE B 614 4.032 -12.863 0.592 1.00 1.76 H new ATOM 0 HD13 ILE B 614 2.502 -12.183 -0.011 1.00 1.76 H new ATOM 2221 N LEU B 615 1.669 -17.240 2.634 1.00 0.00 N ATOM 2222 CA LEU B 615 1.355 -18.631 2.306 1.00 0.00 C ATOM 2223 C LEU B 615 0.436 -19.288 3.325 1.00 0.00 C ATOM 2224 O LEU B 615 -0.355 -20.159 2.977 1.00 0.00 O ATOM 2225 CB LEU B 615 2.650 -19.438 2.184 1.00 0.01 C ATOM 2226 CG LEU B 615 2.469 -20.915 1.832 1.00 1.09 C ATOM 2227 CD1 LEU B 615 1.876 -21.066 0.441 1.00 1.70 C ATOM 2228 CD2 LEU B 615 3.797 -21.651 1.928 1.00 1.84 C ATOM 0 H LEU B 615 2.660 -17.071 2.806 1.00 0.00 H new ATOM 0 HA LEU B 615 0.822 -18.621 1.355 1.00 0.00 H new ATOM 0 HB2 LEU B 615 3.277 -18.974 1.423 1.00 0.01 H new ATOM 0 HB3 LEU B 615 3.191 -19.370 3.128 1.00 0.01 H new ATOM 0 HG LEU B 615 1.776 -21.356 2.549 1.00 1.09 H new ATOM 0 HD11 LEU B 615 1.755 -22.124 0.210 1.00 1.70 H new ATOM 0 HD12 LEU B 615 0.904 -20.573 0.404 1.00 1.70 H new ATOM 0 HD13 LEU B 615 2.542 -20.609 -0.290 1.00 1.70 H new ATOM 0 HD21 LEU B 615 3.650 -22.701 1.674 1.00 1.84 H new ATOM 0 HD22 LEU B 615 4.510 -21.206 1.234 1.00 1.84 H new ATOM 0 HD23 LEU B 615 4.183 -21.574 2.944 1.00 1.84 H new ATOM 2240 N ASN B 616 0.544 -18.866 4.581 1.00 0.00 N ATOM 2241 CA ASN B 616 -0.278 -19.433 5.645 1.00 0.00 C ATOM 2242 C ASN B 616 -1.712 -18.884 5.707 1.00 0.00 C ATOM 2243 O ASN B 616 -2.499 -19.270 6.570 1.00 0.00 O ATOM 2244 CB ASN B 616 0.401 -19.207 6.996 1.00 0.02 C ATOM 2245 CG ASN B 616 1.759 -19.876 7.083 1.00 1.19 C ATOM 2246 OD1 ASN B 616 1.999 -20.907 6.455 1.00 2.06 O ATOM 2247 ND2 ASN B 616 2.656 -19.290 7.867 1.00 1.95 N ATOM 0 H ASN B 616 1.189 -18.137 4.886 1.00 0.00 H new ATOM 0 HA ASN B 616 -0.366 -20.494 5.414 1.00 0.00 H new ATOM 0 HB2 ASN B 616 0.515 -18.137 7.167 1.00 0.02 H new ATOM 0 HB3 ASN B 616 -0.240 -19.590 7.790 1.00 0.02 H new ATOM 0 HD21 ASN B 616 3.587 -19.694 7.967 1.00 1.95 H new ATOM 0 HD22 ASN B 616 2.414 -18.436 8.369 1.00 1.95 H new ATOM 2254 N ASN B 617 -2.039 -18.005 4.771 1.00 0.00 N ATOM 2255 CA ASN B 617 -3.313 -17.302 4.762 1.00 0.00 C ATOM 2256 C ASN B 617 -3.876 -17.109 3.368 1.00 0.00 C ATOM 2257 O ASN B 617 -4.772 -16.273 3.170 1.00 0.00 O ATOM 2258 CB ASN B 617 -3.136 -15.938 5.435 1.00 0.03 C ATOM 2259 CG ASN B 617 -2.931 -16.045 6.935 1.00 1.15 C ATOM 2260 OD1 ASN B 617 -3.564 -17.034 7.554 1.00 1.96 O flip ATOM 2261 ND2 ASN B 617 -2.213 -15.243 7.533 1.00 1.97 N flip ATOM 0 H ASN B 617 -1.426 -17.759 3.994 1.00 0.00 H new ATOM 0 HA ASN B 617 -4.027 -17.918 5.308 1.00 0.00 H new ATOM 0 HB2 ASN B 617 -2.281 -15.427 4.992 1.00 0.03 H new ATOM 0 HB3 ASN B 617 -4.014 -15.323 5.236 1.00 0.03 H new ATOM 0 HD21 ASN B 617 -1.744 -14.497 7.019 1.00 1.97 H new ATOM 0 HD22 ASN B 617 -2.087 -15.325 8.542 1.00 1.97 H new ATOM 2268 N ILE B 618 -3.357 -17.845 2.396 1.00 0.00 N ATOM 2269 CA ILE B 618 -3.823 -17.637 1.025 1.00 0.00 C ATOM 2270 C ILE B 618 -5.340 -17.583 0.990 1.00 0.00 C ATOM 2271 O ILE B 618 -5.922 -16.677 0.394 1.00 0.00 O ATOM 2272 CB ILE B 618 -3.341 -18.760 0.084 1.00 0.01 C ATOM 2273 CG1 ILE B 618 -1.815 -18.748 -0.022 1.00 1.42 C ATOM 2274 CG2 ILE B 618 -3.978 -18.611 -1.293 1.00 1.42 C ATOM 2275 CD1 ILE B 618 -1.255 -19.878 -0.861 1.00 2.01 C ATOM 0 H ILE B 618 -2.643 -18.563 2.517 1.00 0.00 H new ATOM 0 HA ILE B 618 -3.406 -16.691 0.680 1.00 0.00 H new ATOM 0 HB ILE B 618 -3.648 -19.719 0.501 1.00 0.01 H new ATOM 0 HG12 ILE B 618 -1.497 -17.797 -0.450 1.00 1.42 H new ATOM 0 HG13 ILE B 618 -1.389 -18.805 0.980 1.00 1.42 H new ATOM 0 HG21 ILE B 618 -3.627 -19.411 -1.945 1.00 1.42 H new ATOM 0 HG22 ILE B 618 -5.063 -18.668 -1.200 1.00 1.42 H new ATOM 0 HG23 ILE B 618 -3.700 -17.647 -1.720 1.00 1.42 H new ATOM 0 HD11 ILE B 618 -0.168 -19.805 -0.891 1.00 2.01 H new ATOM 0 HD12 ILE B 618 -1.542 -20.834 -0.423 1.00 2.01 H new ATOM 0 HD13 ILE B 618 -1.651 -19.810 -1.874 1.00 2.01 H new ATOM 2287 N ASN B 619 -5.976 -18.537 1.658 1.00 0.00 N ATOM 2288 CA ASN B 619 -7.422 -18.616 1.618 1.00 0.00 C ATOM 2289 C ASN B 619 -8.120 -17.400 2.222 1.00 0.00 C ATOM 2290 O ASN B 619 -8.976 -16.784 1.589 1.00 0.00 O ATOM 2291 CB ASN B 619 -7.893 -19.882 2.332 1.00 0.01 C ATOM 2292 CG ASN B 619 -7.419 -21.145 1.639 1.00 1.38 C ATOM 2293 OD1 ASN B 619 -7.229 -21.166 0.423 1.00 2.28 O ATOM 2294 ND2 ASN B 619 -7.227 -22.209 2.411 1.00 2.18 N ATOM 0 H ASN B 619 -5.519 -19.253 2.223 1.00 0.00 H new ATOM 0 HA ASN B 619 -7.697 -18.643 0.564 1.00 0.00 H new ATOM 0 HB2 ASN B 619 -7.527 -19.875 3.359 1.00 0.01 H new ATOM 0 HB3 ASN B 619 -8.982 -19.884 2.382 1.00 0.01 H new ATOM 0 HD21 ASN B 619 -6.910 -23.087 2.000 1.00 2.18 H new ATOM 0 HD22 ASN B 619 -7.397 -22.148 3.415 1.00 2.18 H new ATOM 2301 N THR B 620 -7.735 -17.027 3.435 1.00 0.00 N ATOM 2302 CA THR B 620 -8.360 -15.874 4.060 1.00 0.00 C ATOM 2303 C THR B 620 -8.211 -14.641 3.185 1.00 0.00 C ATOM 2304 O THR B 620 -9.098 -13.802 3.160 1.00 0.00 O ATOM 2305 CB THR B 620 -7.799 -15.587 5.468 1.00 0.02 C ATOM 2306 OG1 THR B 620 -8.645 -14.651 6.148 1.00 1.27 O ATOM 2307 CG2 THR B 620 -6.390 -15.030 5.398 1.00 1.32 C ATOM 0 H THR B 620 -7.016 -17.490 3.990 1.00 0.00 H new ATOM 0 HA THR B 620 -9.417 -16.116 4.171 1.00 0.00 H new ATOM 0 HB THR B 620 -7.771 -16.529 6.015 1.00 0.02 H new ATOM 0 HG1 THR B 620 -8.285 -14.474 7.042 1.00 1.27 H new ATOM 0 HG21 THR B 620 -6.024 -14.839 6.407 1.00 1.32 H new ATOM 0 HG22 THR B 620 -5.738 -15.751 4.906 1.00 1.32 H new ATOM 0 HG23 THR B 620 -6.395 -14.099 4.831 1.00 1.32 H new ATOM 2315 N ILE B 621 -7.110 -14.546 2.430 1.00 0.00 N ATOM 2316 CA ILE B 621 -6.883 -13.378 1.577 1.00 0.00 C ATOM 2317 C ILE B 621 -7.647 -13.377 0.259 1.00 0.00 C ATOM 2318 O ILE B 621 -8.175 -12.334 -0.140 1.00 0.00 O ATOM 2319 CB ILE B 621 -5.380 -13.108 1.309 1.00 0.06 C ATOM 2320 CG1 ILE B 621 -5.210 -11.877 0.413 1.00 1.39 C ATOM 2321 CG2 ILE B 621 -4.699 -14.308 0.681 1.00 1.37 C ATOM 2322 CD1 ILE B 621 -3.773 -11.423 0.267 1.00 2.00 C ATOM 0 H ILE B 621 -6.375 -15.252 2.393 1.00 0.00 H new ATOM 0 HA ILE B 621 -7.293 -12.562 2.173 1.00 0.00 H new ATOM 0 HB ILE B 621 -4.904 -12.919 2.271 1.00 0.06 H new ATOM 0 HG12 ILE B 621 -5.613 -12.099 -0.575 1.00 1.39 H new ATOM 0 HG13 ILE B 621 -5.801 -11.057 0.821 1.00 1.39 H new ATOM 0 HG21 ILE B 621 -3.647 -14.080 0.508 1.00 1.37 H new ATOM 0 HG22 ILE B 621 -4.780 -15.164 1.351 1.00 1.37 H new ATOM 0 HG23 ILE B 621 -5.180 -14.544 -0.268 1.00 1.37 H new ATOM 0 HD11 ILE B 621 -3.732 -10.547 -0.381 1.00 2.00 H new ATOM 0 HD12 ILE B 621 -3.371 -11.168 1.247 1.00 2.00 H new ATOM 0 HD13 ILE B 621 -3.180 -12.226 -0.171 1.00 2.00 H new ATOM 2334 N ILE B 622 -7.707 -14.514 -0.433 1.00 0.00 N ATOM 2335 CA ILE B 622 -8.390 -14.530 -1.731 1.00 0.00 C ATOM 2336 C ILE B 622 -9.900 -14.805 -1.667 1.00 0.00 C ATOM 2337 O ILE B 622 -10.588 -14.712 -2.678 1.00 0.00 O ATOM 2338 CB ILE B 622 -7.727 -15.589 -2.646 1.00 0.04 C ATOM 2339 CG1 ILE B 622 -7.560 -15.048 -4.064 1.00 1.31 C ATOM 2340 CG2 ILE B 622 -8.521 -16.890 -2.658 1.00 1.30 C ATOM 2341 CD1 ILE B 622 -6.180 -14.485 -4.334 1.00 2.09 C ATOM 0 H ILE B 622 -7.309 -15.405 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 622 -8.284 -13.521 -2.129 1.00 0.00 H new ATOM 0 HB ILE B 622 -6.739 -15.806 -2.239 1.00 0.04 H new ATOM 0 HG12 ILE B 622 -7.764 -15.847 -4.776 1.00 1.31 H new ATOM 0 HG13 ILE B 622 -8.303 -14.269 -4.238 1.00 1.31 H new ATOM 0 HG21 ILE B 622 -8.028 -17.611 -3.310 1.00 1.30 H new ATOM 0 HG22 ILE B 622 -8.575 -17.293 -1.647 1.00 1.30 H new ATOM 0 HG23 ILE B 622 -9.529 -16.698 -3.026 1.00 1.30 H new ATOM 0 HD11 ILE B 622 -6.131 -14.118 -5.359 1.00 2.09 H new ATOM 0 HD12 ILE B 622 -5.981 -13.664 -3.645 1.00 2.09 H new ATOM 0 HD13 ILE B 622 -5.434 -15.267 -4.192 1.00 2.09 H new ATOM 2353 N CYS B 623 -10.384 -15.122 -0.471 1.00 0.00 N ATOM 2354 CA CYS B 623 -11.812 -15.425 -0.205 1.00 0.00 C ATOM 2355 C CYS B 623 -12.806 -14.926 -1.220 1.00 0.00 C ATOM 2356 O CYS B 623 -13.595 -15.692 -1.776 1.00 0.00 O ATOM 2357 CB CYS B 623 -12.194 -14.882 1.172 1.00 0.01 C ATOM 2358 SG CYS B 623 -13.917 -15.185 1.632 1.00 1.47 S ATOM 0 H CYS B 623 -9.798 -15.180 0.362 1.00 0.00 H new ATOM 0 HA CYS B 623 -11.876 -16.512 -0.263 1.00 0.00 H new ATOM 0 HB2 CYS B 623 -11.544 -15.333 1.922 1.00 0.01 H new ATOM 0 HB3 CYS B 623 -12.007 -13.808 1.192 1.00 0.01 H new ATOM 0 HG CYS B 623 -14.590 -14.075 1.550 1.00 1.47 H new ATOM 2364 N ASP B 624 -12.778 -13.613 -1.404 1.00 0.00 N ATOM 2365 CA ASP B 624 -13.836 -12.880 -2.056 1.00 0.00 C ATOM 2366 C ASP B 624 -13.489 -12.596 -3.497 1.00 0.00 C ATOM 2367 O ASP B 624 -14.323 -12.082 -4.247 1.00 0.00 O ATOM 2368 CB ASP B 624 -14.115 -11.572 -1.314 1.00 0.01 C ATOM 2369 CG ASP B 624 -14.772 -11.805 0.032 1.00 1.08 C ATOM 2370 OD1 ASP B 624 -14.047 -12.105 1.002 1.00 2.07 O ATOM 2371 OD2 ASP B 624 -16.013 -11.689 0.114 1.00 1.01 O ATOM 0 H ASP B 624 -12.004 -13.025 -1.097 1.00 0.00 H new ATOM 0 HA ASP B 624 -14.735 -13.496 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP B 624 -13.180 -11.031 -1.171 1.00 0.01 H new ATOM 0 HB3 ASP B 624 -14.758 -10.940 -1.926 1.00 0.01 H new ATOM 2376 N LEU B 625 -12.252 -12.908 -3.882 1.00 0.00 N ATOM 2377 CA LEU B 625 -11.756 -12.556 -5.211 1.00 0.00 C ATOM 2378 C LEU B 625 -12.403 -13.418 -6.308 1.00 0.00 C ATOM 2379 O LEU B 625 -12.733 -14.585 -6.068 1.00 0.00 O ATOM 2380 CB LEU B 625 -10.234 -12.677 -5.269 1.00 0.06 C ATOM 2381 CG LEU B 625 -9.479 -11.531 -4.594 1.00 0.72 C ATOM 2382 CD1 LEU B 625 -9.656 -11.594 -3.087 1.00 1.60 C ATOM 2383 CD2 LEU B 625 -8.004 -11.565 -4.964 1.00 1.67 C ATOM 0 H LEU B 625 -11.578 -13.401 -3.296 1.00 0.00 H new ATOM 0 HA LEU B 625 -12.034 -11.519 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU B 625 -9.939 -13.615 -4.800 1.00 0.06 H new ATOM 0 HB3 LEU B 625 -9.926 -12.732 -6.313 1.00 0.06 H new ATOM 0 HG LEU B 625 -9.895 -10.589 -4.950 1.00 0.72 H new ATOM 0 HD11 LEU B 625 -9.112 -10.772 -2.622 1.00 1.60 H new ATOM 0 HD12 LEU B 625 -10.715 -11.514 -2.841 1.00 1.60 H new ATOM 0 HD13 LEU B 625 -9.268 -12.542 -2.714 1.00 1.60 H new ATOM 0 HD21 LEU B 625 -7.487 -10.741 -4.473 1.00 1.67 H new ATOM 0 HD22 LEU B 625 -7.569 -12.511 -4.640 1.00 1.67 H new ATOM 0 HD23 LEU B 625 -7.898 -11.468 -6.044 1.00 1.67 H new ATOM 2395 N GLN B 626 -12.604 -12.840 -7.493 1.00 0.00 N ATOM 2396 CA GLN B 626 -13.106 -13.584 -8.647 1.00 0.00 C ATOM 2397 C GLN B 626 -11.974 -14.417 -9.224 1.00 0.00 C ATOM 2398 O GLN B 626 -10.806 -14.133 -8.969 1.00 0.00 O ATOM 2399 CB GLN B 626 -13.663 -12.628 -9.706 1.00 0.01 C ATOM 2400 CG GLN B 626 -12.634 -11.654 -10.252 1.00 0.94 C ATOM 2401 CD GLN B 626 -13.199 -10.759 -11.338 1.00 1.63 C ATOM 2402 OE1 GLN B 626 -13.158 -11.096 -12.521 1.00 2.35 O ATOM 2403 NE2 GLN B 626 -13.729 -9.609 -10.940 1.00 2.33 N ATOM 0 H GLN B 626 -12.425 -11.853 -7.678 1.00 0.00 H new ATOM 0 HA GLN B 626 -13.918 -14.239 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN B 626 -14.071 -13.212 -10.531 1.00 0.01 H new ATOM 0 HB3 GLN B 626 -14.490 -12.065 -9.275 1.00 0.01 H new ATOM 0 HG2 GLN B 626 -12.255 -11.036 -9.438 1.00 0.94 H new ATOM 0 HG3 GLN B 626 -11.786 -12.212 -10.650 1.00 0.94 H new ATOM 0 HE21 GLN B 626 -13.742 -9.369 -9.949 1.00 2.33 H new ATOM 0 HE22 GLN B 626 -14.123 -8.965 -11.626 1.00 2.33 H new ATOM 2412 N PRO B 627 -12.303 -15.426 -10.033 1.00 0.00 N ATOM 2413 CA PRO B 627 -11.276 -16.305 -10.609 1.00 0.00 C ATOM 2414 C PRO B 627 -10.075 -15.600 -11.241 1.00 0.00 C ATOM 2415 O PRO B 627 -8.930 -16.022 -11.066 1.00 0.00 O ATOM 2416 CB PRO B 627 -12.052 -17.075 -11.677 1.00 0.01 C ATOM 2417 CG PRO B 627 -13.454 -17.112 -11.171 1.00 0.44 C ATOM 2418 CD PRO B 627 -13.666 -15.811 -10.448 1.00 0.01 C ATOM 0 HA PRO B 627 -10.818 -16.909 -9.826 1.00 0.00 H new ATOM 0 HB2 PRO B 627 -11.993 -16.578 -12.645 1.00 0.01 H new ATOM 0 HB3 PRO B 627 -11.652 -18.080 -11.810 1.00 0.01 H new ATOM 0 HG2 PRO B 627 -14.163 -17.223 -11.992 1.00 0.44 H new ATOM 0 HG3 PRO B 627 -13.606 -17.959 -10.503 1.00 0.44 H new ATOM 0 HD2 PRO B 627 -14.116 -15.059 -11.096 1.00 0.01 H new ATOM 0 HD3 PRO B 627 -14.329 -15.931 -9.591 1.00 0.01 H new ATOM 2426 N GLN B 628 -10.336 -14.549 -12.003 1.00 0.00 N ATOM 2427 CA GLN B 628 -9.275 -13.892 -12.733 1.00 0.00 C ATOM 2428 C GLN B 628 -8.314 -13.216 -11.746 1.00 0.00 C ATOM 2429 O GLN B 628 -7.088 -13.318 -11.878 1.00 0.00 O ATOM 2430 CB GLN B 628 -9.848 -12.852 -13.697 1.00 0.01 C ATOM 2431 CG GLN B 628 -10.764 -13.438 -14.758 1.00 1.30 C ATOM 2432 CD GLN B 628 -11.305 -12.383 -15.703 1.00 1.94 C ATOM 2433 OE1 GLN B 628 -10.707 -12.094 -16.738 1.00 2.62 O ATOM 2434 NE2 GLN B 628 -12.445 -11.800 -15.346 1.00 2.58 N ATOM 0 H GLN B 628 -11.262 -14.141 -12.128 1.00 0.00 H new ATOM 0 HA GLN B 628 -8.734 -14.639 -13.314 1.00 0.00 H new ATOM 0 HB2 GLN B 628 -10.400 -12.106 -13.126 1.00 0.01 H new ATOM 0 HB3 GLN B 628 -9.025 -12.333 -14.188 1.00 0.01 H new ATOM 0 HG2 GLN B 628 -10.219 -14.189 -15.330 1.00 1.30 H new ATOM 0 HG3 GLN B 628 -11.596 -13.949 -14.274 1.00 1.30 H new ATOM 0 HE21 GLN B 628 -12.907 -12.072 -14.478 1.00 2.58 H new ATOM 0 HE22 GLN B 628 -12.858 -11.081 -15.940 1.00 2.58 H new ATOM 2443 N GLN B 629 -8.881 -12.562 -10.739 1.00 0.00 N ATOM 2444 CA GLN B 629 -8.098 -11.896 -9.709 1.00 0.00 C ATOM 2445 C GLN B 629 -7.269 -12.898 -8.925 1.00 0.00 C ATOM 2446 O GLN B 629 -6.118 -12.627 -8.558 1.00 0.00 O ATOM 2447 CB GLN B 629 -9.016 -11.114 -8.766 1.00 0.01 C ATOM 2448 CG GLN B 629 -9.151 -9.643 -9.131 1.00 0.49 C ATOM 2449 CD GLN B 629 -9.557 -9.429 -10.577 1.00 1.22 C ATOM 2450 OE1 GLN B 629 -10.741 -9.334 -10.894 1.00 2.04 O ATOM 2451 NE2 GLN B 629 -8.571 -9.351 -11.463 1.00 2.06 N ATOM 0 H GLN B 629 -9.890 -12.479 -10.615 1.00 0.00 H new ATOM 0 HA GLN B 629 -7.417 -11.198 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN B 629 -10.004 -11.573 -8.771 1.00 0.01 H new ATOM 0 HB3 GLN B 629 -8.632 -11.194 -7.749 1.00 0.01 H new ATOM 0 HG2 GLN B 629 -9.890 -9.178 -8.479 1.00 0.49 H new ATOM 0 HG3 GLN B 629 -8.202 -9.139 -8.947 1.00 0.49 H new ATOM 0 HE21 GLN B 629 -7.602 -9.435 -11.156 1.00 2.06 H new ATOM 0 HE22 GLN B 629 -8.783 -9.207 -12.450 1.00 2.06 H new ATOM 2460 N VAL B 630 -7.846 -14.068 -8.664 1.00 0.00 N ATOM 2461 CA VAL B 630 -7.110 -15.131 -7.975 1.00 0.00 C ATOM 2462 C VAL B 630 -5.862 -15.524 -8.766 1.00 0.00 C ATOM 2463 O VAL B 630 -4.779 -14.973 -8.473 1.00 1.10 O ATOM 2464 CB VAL B 630 -7.985 -16.386 -7.766 1.00 0.05 C ATOM 2465 CG1 VAL B 630 -7.206 -17.464 -7.027 1.00 1.27 C ATOM 2466 CG2 VAL B 630 -9.262 -16.035 -7.016 1.00 1.30 C ATOM 2467 OXT VAL B 630 -5.978 -16.376 -9.673 1.00 1.10 O ATOM 0 H VAL B 630 -8.806 -14.305 -8.914 1.00 0.00 H new ATOM 0 HA VAL B 630 -6.821 -14.737 -7.000 1.00 0.00 H new ATOM 0 HB VAL B 630 -8.263 -16.775 -8.745 1.00 0.05 H new ATOM 0 HG11 VAL B 630 -7.839 -18.340 -6.889 1.00 1.27 H new ATOM 0 HG12 VAL B 630 -6.326 -17.740 -7.608 1.00 1.27 H new ATOM 0 HG13 VAL B 630 -6.894 -17.085 -6.054 1.00 1.27 H new ATOM 0 HG21 VAL B 630 -9.863 -16.934 -6.880 1.00 1.30 H new ATOM 0 HG22 VAL B 630 -9.009 -15.617 -6.042 1.00 1.30 H new ATOM 0 HG23 VAL B 630 -9.830 -15.302 -7.588 1.00 1.30 H new TER 2477 VAL B 630