USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1436 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 64 SER OG : rot -155:sc= 0.801 USER MOD Set 1.2: B 75 TYR OH : rot -44:sc= 1.7 USER MOD Set 2.1: B 27 GLN : amide:sc= -0.22 K(o=-15,f=-18) USER MOD Set 2.2: B 32 TYR OH : rot 180:sc= 0.557 USER MOD Set 2.3: B 41 HIS : no HE2:sc= -15.2! C(o=-15!,f=-22!) USER MOD Set 3.1: A 72 HIS : no HE2:sc= -3.57! C(o=-6!,f=-10!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -173:sc= -2.48! (180deg=-2.63!) USER MOD Set 4.1: A 64 SER OG : rot 158:sc= 1.7 USER MOD Set 4.2: A 75 TYR OH : rot 95:sc= 1.14 USER MOD Set 5.1: A 55 HIS : no HE2:sc= -21.2! C(o=-36!,f=-38!) USER MOD Set 5.2: A 88 SER OG : rot -90:sc= -0.155 USER MOD Set 5.3: B 55 HIS : no HE2:sc= -14.5! C(o=-36!,f=-37!) USER MOD Set 5.4: B 88 SER OG : rot -101:sc= 0 USER MOD Set 6.1: A 53 THR OG1 : rot -80:sc= -2.41! USER MOD Set 6.2: B 67 THR OG1 : rot 86:sc= 1.61 USER MOD Set 7.1: A 24 CYS SG : rot 179:sc= 0 USER MOD Set 7.2: A 27 GLN : amide:sc= -0.442 K(o=-0.44,f=-2.2!) USER MOD Set 8.1: A 14 SER OG : rot -119:sc= -1.56! USER MOD Set 8.2: A 71 LYS NZ :NH3+ -147:sc= -0.218 (180deg=0) USER MOD Set 9.1: A 2 CYS SG : rot 169:sc= 0.0564 USER MOD Set 9.2: A 19 GLN : amide:sc= -1.87 K(o=-1.8,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0534 (180deg=-1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.226! K(o=0.23!,f=-0.97) USER MOD Single : A 13 MET CE :methyl 150:sc= -1.42 (180deg=-2.33!) USER MOD Single : A 17 MET CE :methyl 171:sc= -9.55! (180deg=-9.89!) USER MOD Single : A 18 GLN : amide:sc= -7.9! C(o=-7.9!,f=-5!) USER MOD Single : A 21 SER OG : rot 54:sc= -6.04! USER MOD Single : A 26 THR OG1 : rot 82:sc= -1.63! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.36! C(o=-2.4!,f=-0.99!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -25.4! C(o=-25!,f=-26!) USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= 0.838 (180deg=0.0832) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0651 (180deg=-0.381) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -0.122 (180deg=-0.814) USER MOD Single : A 50 TYR OH : rot -131:sc= -0.0174 USER MOD Single : A 51 ASN : amide:sc= -3.16! K(o=-3.2!,f=-0.96) USER MOD Single : A 56 CYS SG : rot 60:sc= -4.25! USER MOD Single : A 61 ASN : amide:sc= -5.93! K(o=-5.9!,f=-0.61) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -3.72 X(o=-3.7,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot -8:sc= 0.905 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.268 X(o=0.27,f=-0.032) USER MOD Single : B 1 MET CE :methyl 149:sc= -0.568 (180deg=-2!) USER MOD Single : B 1 MET N :NH3+ -135:sc= -1.22 (180deg=-3.38!) USER MOD Single : B 2 CYS SG : rot 180:sc= -2.99! USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD Single : B 13 MET CE :methyl 139:sc= -0.113 (180deg=-1.39!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl 157:sc= -5.05! (180deg=-7.41!) USER MOD Single : B 18 GLN : amide:sc= -12! C(o=-12!,f=-8.4!) USER MOD Single : B 19 GLN : amide:sc= -8.09! K(o=-8.1!,f=-1.7) USER MOD Single : B 21 SER OG : rot -90:sc= -2.45! USER MOD Single : B 24 CYS SG : rot 159:sc= -2.44! USER MOD Single : B 26 THR OG1 : rot 58:sc= -1.13! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= -0.0623 K(o=-0.062,f=1.1) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 155:sc= -6.53! (180deg=-8.06!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -107:sc= 0.125 (180deg=0) USER MOD Single : B 50 TYR OH : rot 15:sc= -1.25 USER MOD Single : B 51 ASN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc=-0.000136 USER MOD Single : B 56 CYS SG : rot 44:sc= -8.77! USER MOD Single : B 61 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.86 K(o=-0.86,f=-1.9) USER MOD Single : B 70 THR OG1 : rot -90:sc= -1.67! USER MOD Single : B 71 LYS NZ :NH3+ -125:sc= 0.305 (180deg=0) USER MOD Single : B 72 HIS : no HE2:sc= 0.655 K(o=0.66,f=-3.7!) USER MOD Single : B 77 TYR OH : rot 36:sc= -0.704 USER MOD Single : B 80 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.075) USER MOD Single : B 87 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.622 5.332 3.187 1.00 0.00 N ATOM 2 CA MET A 1 -28.474 6.276 3.233 1.00 0.00 C ATOM 3 C MET A 1 -27.168 5.577 2.868 1.00 0.00 C ATOM 4 O MET A 1 -27.135 4.360 2.685 1.00 0.00 O ATOM 5 CB MET A 1 -28.382 6.859 4.644 1.00 0.00 C ATOM 6 CG MET A 1 -29.736 7.097 5.293 1.00 0.00 C ATOM 7 SD MET A 1 -29.700 8.431 6.505 1.00 0.00 S ATOM 8 CE MET A 1 -31.298 9.188 6.221 1.00 0.00 C ATOM 0 H1 MET A 1 -30.498 5.860 2.999 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.469 4.635 2.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.703 4.840 4.099 1.00 0.00 H new ATOM 0 HA MET A 1 -28.635 7.071 2.505 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.802 6.182 5.271 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.837 7.802 4.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.468 7.333 4.521 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.068 6.179 5.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.426 10.033 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.357 9.537 5.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.085 8.456 6.402 1.00 0.00 H new ATOM 20 N CYS A 2 -26.097 6.355 2.766 1.00 0.00 N ATOM 21 CA CYS A 2 -24.787 5.812 2.424 1.00 0.00 C ATOM 22 C CYS A 2 -24.099 5.240 3.662 1.00 0.00 C ATOM 23 O CYS A 2 -24.717 4.523 4.450 1.00 0.00 O ATOM 24 CB CYS A 2 -23.914 6.898 1.791 1.00 0.00 C ATOM 25 SG CYS A 2 -24.683 8.533 1.751 1.00 0.00 S ATOM 0 H CYS A 2 -26.109 7.364 2.915 1.00 0.00 H new ATOM 0 HA CYS A 2 -24.927 5.006 1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -22.976 6.963 2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -23.664 6.601 0.772 1.00 0.00 H new ATOM 0 HG CYS A 2 -23.795 9.422 1.419 1.00 0.00 H new ATOM 31 N ASP A 3 -22.819 5.561 3.828 1.00 0.00 N ATOM 32 CA ASP A 3 -22.054 5.078 4.972 1.00 0.00 C ATOM 33 C ASP A 3 -20.564 5.354 4.789 1.00 0.00 C ATOM 34 O ASP A 3 -19.826 4.517 4.269 1.00 0.00 O ATOM 35 CB ASP A 3 -22.286 3.579 5.173 1.00 0.00 C ATOM 36 CG ASP A 3 -22.264 3.181 6.635 1.00 0.00 C ATOM 37 OD1 ASP A 3 -21.195 3.302 7.269 1.00 0.00 O ATOM 38 OD2 ASP A 3 -23.318 2.746 7.147 1.00 0.00 O ATOM 0 H ASP A 3 -22.291 6.152 3.186 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.398 5.614 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.246 3.301 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.520 3.020 4.636 1.00 0.00 H new ATOM 43 N ARG A 4 -20.130 6.533 5.225 1.00 0.00 N ATOM 44 CA ARG A 4 -18.728 6.920 5.114 1.00 0.00 C ATOM 45 C ARG A 4 -17.973 6.579 6.394 1.00 0.00 C ATOM 46 O ARG A 4 -16.839 6.098 6.351 1.00 0.00 O ATOM 47 CB ARG A 4 -18.613 8.418 4.822 1.00 0.00 C ATOM 48 CG ARG A 4 -17.240 8.836 4.322 1.00 0.00 C ATOM 49 CD ARG A 4 -17.312 9.416 2.918 1.00 0.00 C ATOM 50 NE ARG A 4 -17.899 10.752 2.905 1.00 0.00 N ATOM 51 CZ ARG A 4 -17.293 11.828 3.395 1.00 0.00 C ATOM 52 NH1 ARG A 4 -16.088 11.726 3.940 1.00 0.00 N ATOM 53 NH2 ARG A 4 -17.892 13.010 3.341 1.00 0.00 N ATOM 0 H ARG A 4 -20.729 7.236 5.658 1.00 0.00 H new ATOM 0 HA ARG A 4 -18.283 6.363 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.361 8.693 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.845 8.976 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.814 9.575 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -16.572 7.975 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -16.310 9.457 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -17.902 8.755 2.283 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.827 10.866 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.623 10.819 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.626 12.554 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -18.819 13.094 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.426 13.836 3.717 1.00 0.00 H new ATOM 67 N LYS A 5 -18.613 6.827 7.532 1.00 0.00 N ATOM 68 CA LYS A 5 -18.011 6.545 8.830 1.00 0.00 C ATOM 69 C LYS A 5 -16.493 6.690 8.780 1.00 0.00 C ATOM 70 O LYS A 5 -15.765 5.896 9.375 1.00 0.00 O ATOM 71 CB LYS A 5 -18.386 5.136 9.291 1.00 0.00 C ATOM 72 CG LYS A 5 -19.374 5.120 10.448 1.00 0.00 C ATOM 73 CD LYS A 5 -18.720 5.572 11.743 1.00 0.00 C ATOM 74 CE LYS A 5 -19.081 4.655 12.901 1.00 0.00 C ATOM 75 NZ LYS A 5 -18.335 5.012 14.140 1.00 0.00 N ATOM 0 H LYS A 5 -19.551 7.224 7.581 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.398 7.272 9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.813 4.589 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.481 4.607 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.217 5.772 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.774 4.114 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.637 5.592 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.033 6.590 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.153 4.714 13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.862 3.622 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.607 4.365 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.313 4.931 13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.563 5.989 14.413 1.00 0.00 H new ATOM 89 N ALA A 6 -16.022 7.711 8.071 1.00 0.00 N ATOM 90 CA ALA A 6 -14.592 7.963 7.950 1.00 0.00 C ATOM 91 C ALA A 6 -14.265 9.424 8.239 1.00 0.00 C ATOM 92 O ALA A 6 -15.122 10.184 8.691 1.00 0.00 O ATOM 93 CB ALA A 6 -14.098 7.574 6.566 1.00 0.00 C ATOM 0 H ALA A 6 -16.611 8.377 7.571 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.079 7.349 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.028 7.769 6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.286 6.514 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.625 8.160 5.813 1.00 0.00 H new ATOM 99 N VAL A 7 -13.020 9.807 7.979 1.00 0.00 N ATOM 100 CA VAL A 7 -12.578 11.176 8.214 1.00 0.00 C ATOM 101 C VAL A 7 -11.553 11.612 7.174 1.00 0.00 C ATOM 102 O VAL A 7 -10.352 11.634 7.447 1.00 0.00 O ATOM 103 CB VAL A 7 -11.955 11.329 9.615 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.647 12.790 9.910 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.873 10.745 10.679 1.00 0.00 C ATOM 0 H VAL A 7 -12.300 9.189 7.606 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.462 11.809 8.139 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.017 10.774 9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.208 12.876 10.904 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.944 13.171 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.568 13.371 9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.414 10.864 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.830 11.267 10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.034 9.686 10.479 1.00 0.00 H new ATOM 115 N ILE A 8 -12.027 11.968 5.983 1.00 0.00 N ATOM 116 CA ILE A 8 -11.137 12.411 4.919 1.00 0.00 C ATOM 117 C ILE A 8 -10.037 13.299 5.493 1.00 0.00 C ATOM 118 O ILE A 8 -10.278 14.091 6.405 1.00 0.00 O ATOM 119 CB ILE A 8 -11.917 13.154 3.797 1.00 0.00 C ATOM 120 CG1 ILE A 8 -12.285 12.175 2.680 1.00 0.00 C ATOM 121 CG2 ILE A 8 -11.122 14.325 3.221 1.00 0.00 C ATOM 122 CD1 ILE A 8 -13.326 11.154 3.084 1.00 0.00 C ATOM 0 H ILE A 8 -13.016 11.958 5.733 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.680 11.530 4.469 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.824 13.561 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.655 12.738 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.385 11.654 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.707 14.813 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.904 15.041 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.188 13.957 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.536 10.495 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.952 10.565 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.241 11.666 3.381 1.00 0.00 H new ATOM 134 N LYS A 9 -8.834 13.160 4.956 1.00 0.00 N ATOM 135 CA LYS A 9 -7.699 13.950 5.419 1.00 0.00 C ATOM 136 C LYS A 9 -6.976 14.605 4.250 1.00 0.00 C ATOM 137 O LYS A 9 -6.147 15.495 4.439 1.00 0.00 O ATOM 138 CB LYS A 9 -6.731 13.072 6.212 1.00 0.00 C ATOM 139 CG LYS A 9 -7.217 12.748 7.614 1.00 0.00 C ATOM 140 CD LYS A 9 -7.017 13.923 8.557 1.00 0.00 C ATOM 141 CE LYS A 9 -8.311 14.691 8.773 1.00 0.00 C ATOM 142 NZ LYS A 9 -8.061 16.122 9.100 1.00 0.00 N ATOM 0 H LYS A 9 -8.617 12.510 4.201 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.078 14.738 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.568 12.141 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.767 13.576 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.273 12.481 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.680 11.879 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.643 13.562 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.259 14.592 8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.926 14.626 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.877 14.228 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.969 16.610 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.496 16.186 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.543 16.571 8.318 1.00 0.00 H new ATOM 156 N ASN A 10 -7.299 14.163 3.041 1.00 0.00 N ATOM 157 CA ASN A 10 -6.683 14.711 1.838 1.00 0.00 C ATOM 158 C ASN A 10 -7.601 14.524 0.636 1.00 0.00 C ATOM 159 O ASN A 10 -8.439 15.376 0.342 1.00 0.00 O ATOM 160 CB ASN A 10 -5.334 14.037 1.574 1.00 0.00 C ATOM 161 CG ASN A 10 -4.313 14.994 0.989 1.00 0.00 C ATOM 162 OD1 ASN A 10 -4.253 16.163 1.367 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.503 14.499 0.060 1.00 0.00 N ATOM 0 H ASN A 10 -7.983 13.427 2.867 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.520 15.778 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.949 13.625 2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.477 13.200 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.796 15.095 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.588 13.523 -0.223 1.00 0.00 H new ATOM 170 N ALA A 11 -7.440 13.398 -0.049 1.00 0.00 N ATOM 171 CA ALA A 11 -8.258 13.087 -1.212 1.00 0.00 C ATOM 172 C ALA A 11 -7.814 13.876 -2.438 1.00 0.00 C ATOM 173 O ALA A 11 -6.830 14.615 -2.400 1.00 0.00 O ATOM 174 CB ALA A 11 -9.724 13.360 -0.914 1.00 0.00 C ATOM 0 H ALA A 11 -6.749 12.685 0.183 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.129 12.028 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.324 13.123 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.046 12.741 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.854 14.412 -0.659 1.00 0.00 H new ATOM 180 N ASP A 12 -8.555 13.702 -3.524 1.00 0.00 N ATOM 181 CA ASP A 12 -8.265 14.379 -4.780 1.00 0.00 C ATOM 182 C ASP A 12 -8.979 13.674 -5.922 1.00 0.00 C ATOM 183 O ASP A 12 -8.591 13.785 -7.085 1.00 0.00 O ATOM 184 CB ASP A 12 -6.758 14.417 -5.039 1.00 0.00 C ATOM 185 CG ASP A 12 -6.295 15.756 -5.579 1.00 0.00 C ATOM 186 OD1 ASP A 12 -6.848 16.206 -6.604 1.00 0.00 O ATOM 187 OD2 ASP A 12 -5.381 16.357 -4.974 1.00 0.00 O ATOM 0 H ASP A 12 -9.370 13.090 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.624 15.406 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.228 14.200 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.495 13.632 -5.748 1.00 0.00 H new ATOM 192 N MET A 13 -10.030 12.946 -5.567 1.00 0.00 N ATOM 193 CA MET A 13 -10.824 12.206 -6.537 1.00 0.00 C ATOM 194 C MET A 13 -12.238 12.770 -6.618 1.00 0.00 C ATOM 195 O MET A 13 -12.670 13.516 -5.738 1.00 0.00 O ATOM 196 CB MET A 13 -10.881 10.722 -6.152 1.00 0.00 C ATOM 197 CG MET A 13 -12.033 9.967 -6.801 1.00 0.00 C ATOM 198 SD MET A 13 -11.789 8.179 -6.816 1.00 0.00 S ATOM 199 CE MET A 13 -11.281 7.886 -5.125 1.00 0.00 C ATOM 0 H MET A 13 -10.354 12.853 -4.604 1.00 0.00 H new ATOM 0 HA MET A 13 -10.350 12.307 -7.514 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.942 10.246 -6.433 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.968 10.640 -5.069 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.956 10.197 -6.269 1.00 0.00 H new ATOM 0 HG3 MET A 13 -12.159 10.319 -7.825 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.596 6.888 -4.818 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.196 7.963 -5.053 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.742 8.628 -4.473 1.00 0.00 H new ATOM 209 N SER A 14 -12.956 12.402 -7.671 1.00 0.00 N ATOM 210 CA SER A 14 -14.326 12.865 -7.855 1.00 0.00 C ATOM 211 C SER A 14 -15.109 12.750 -6.551 1.00 0.00 C ATOM 212 O SER A 14 -15.026 11.739 -5.854 1.00 0.00 O ATOM 213 CB SER A 14 -15.020 12.055 -8.953 1.00 0.00 C ATOM 214 OG SER A 14 -14.368 12.219 -10.200 1.00 0.00 O ATOM 0 H SER A 14 -12.614 11.786 -8.409 1.00 0.00 H new ATOM 0 HA SER A 14 -14.295 13.913 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.028 11.000 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.060 12.370 -9.039 1.00 0.00 H new ATOM 0 HG SER A 14 -14.991 12.613 -10.846 1.00 0.00 H new ATOM 220 N GLU A 15 -15.863 13.793 -6.223 1.00 0.00 N ATOM 221 CA GLU A 15 -16.656 13.810 -4.999 1.00 0.00 C ATOM 222 C GLU A 15 -17.332 12.461 -4.764 1.00 0.00 C ATOM 223 O GLU A 15 -16.900 11.679 -3.916 1.00 0.00 O ATOM 224 CB GLU A 15 -17.709 14.917 -5.065 1.00 0.00 C ATOM 225 CG GLU A 15 -17.210 16.261 -4.557 1.00 0.00 C ATOM 226 CD GLU A 15 -17.523 16.482 -3.090 1.00 0.00 C ATOM 227 OE1 GLU A 15 -16.965 15.750 -2.246 1.00 0.00 O ATOM 228 OE2 GLU A 15 -18.326 17.389 -2.785 1.00 0.00 O ATOM 0 H GLU A 15 -15.942 14.639 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.983 14.006 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.043 15.029 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.578 14.616 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.133 16.325 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.663 17.059 -5.146 1.00 0.00 H new ATOM 235 N GLU A 16 -18.393 12.196 -5.519 1.00 0.00 N ATOM 236 CA GLU A 16 -19.127 10.941 -5.390 1.00 0.00 C ATOM 237 C GLU A 16 -18.169 9.759 -5.301 1.00 0.00 C ATOM 238 O GLU A 16 -18.526 8.695 -4.796 1.00 0.00 O ATOM 239 CB GLU A 16 -20.078 10.756 -6.576 1.00 0.00 C ATOM 240 CG GLU A 16 -20.970 9.529 -6.454 1.00 0.00 C ATOM 241 CD GLU A 16 -21.591 9.125 -7.778 1.00 0.00 C ATOM 242 OE1 GLU A 16 -22.091 10.015 -8.496 1.00 0.00 O ATOM 243 OE2 GLU A 16 -21.577 7.917 -8.095 1.00 0.00 O ATOM 0 H GLU A 16 -18.764 12.832 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.711 10.983 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.705 11.643 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.493 10.680 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.385 8.697 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.761 9.730 -5.732 1.00 0.00 H new ATOM 250 N MET A 17 -16.951 9.953 -5.794 1.00 0.00 N ATOM 251 CA MET A 17 -15.942 8.902 -5.771 1.00 0.00 C ATOM 252 C MET A 17 -15.296 8.796 -4.393 1.00 0.00 C ATOM 253 O MET A 17 -15.034 7.698 -3.904 1.00 0.00 O ATOM 254 CB MET A 17 -14.873 9.169 -6.832 1.00 0.00 C ATOM 255 CG MET A 17 -15.337 8.872 -8.249 1.00 0.00 C ATOM 256 SD MET A 17 -14.303 7.652 -9.079 1.00 0.00 S ATOM 257 CE MET A 17 -14.338 6.314 -7.888 1.00 0.00 C ATOM 0 H MET A 17 -16.639 10.828 -6.214 1.00 0.00 H new ATOM 0 HA MET A 17 -16.434 7.955 -5.993 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.564 10.213 -6.771 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.994 8.563 -6.611 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.366 8.512 -8.222 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.337 9.796 -8.828 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.878 5.427 -8.324 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.786 6.607 -6.995 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.371 6.093 -7.620 1.00 0.00 H new ATOM 267 N GLN A 18 -15.046 9.943 -3.767 1.00 0.00 N ATOM 268 CA GLN A 18 -14.435 9.970 -2.444 1.00 0.00 C ATOM 269 C GLN A 18 -15.389 9.398 -1.401 1.00 0.00 C ATOM 270 O GLN A 18 -14.960 8.811 -0.408 1.00 0.00 O ATOM 271 CB GLN A 18 -14.033 11.396 -2.058 1.00 0.00 C ATOM 272 CG GLN A 18 -14.411 12.442 -3.094 1.00 0.00 C ATOM 273 CD GLN A 18 -13.320 13.473 -3.306 1.00 0.00 C ATOM 274 OE1 GLN A 18 -13.594 14.666 -3.441 1.00 0.00 O ATOM 275 NE2 GLN A 18 -12.073 13.018 -3.335 1.00 0.00 N ATOM 0 H GLN A 18 -15.257 10.863 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.537 9.353 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.504 11.652 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.955 11.429 -1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.628 11.948 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.325 12.945 -2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.891 12.021 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.297 13.665 -3.473 1.00 0.00 H new ATOM 284 N GLN A 19 -16.688 9.557 -1.640 1.00 0.00 N ATOM 285 CA GLN A 19 -17.697 9.042 -0.729 1.00 0.00 C ATOM 286 C GLN A 19 -17.873 7.550 -0.963 1.00 0.00 C ATOM 287 O GLN A 19 -17.902 6.758 -0.020 1.00 0.00 O ATOM 288 CB GLN A 19 -19.020 9.801 -0.923 1.00 0.00 C ATOM 289 CG GLN A 19 -20.267 8.934 -0.822 1.00 0.00 C ATOM 290 CD GLN A 19 -21.152 9.320 0.347 1.00 0.00 C ATOM 291 OE1 GLN A 19 -21.691 8.460 1.044 1.00 0.00 O ATOM 292 NE2 GLN A 19 -21.309 10.620 0.566 1.00 0.00 N ATOM 0 H GLN A 19 -17.063 10.039 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.376 9.194 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -19.082 10.593 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -19.007 10.284 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -20.837 9.015 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -19.972 7.890 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.843 11.299 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -21.895 10.940 1.337 1.00 0.00 H new ATOM 301 N ASP A 20 -17.968 7.173 -2.232 1.00 0.00 N ATOM 302 CA ASP A 20 -18.116 5.775 -2.595 1.00 0.00 C ATOM 303 C ASP A 20 -16.833 5.028 -2.269 1.00 0.00 C ATOM 304 O ASP A 20 -16.851 3.838 -1.956 1.00 0.00 O ATOM 305 CB ASP A 20 -18.447 5.633 -4.082 1.00 0.00 C ATOM 306 CG ASP A 20 -19.891 5.979 -4.388 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.562 6.559 -3.508 1.00 0.00 O ATOM 308 OD2 ASP A 20 -20.351 5.669 -5.507 1.00 0.00 O ATOM 0 H ASP A 20 -17.945 7.816 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.939 5.348 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.790 6.282 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -18.246 4.610 -4.400 1.00 0.00 H new ATOM 313 N SER A 21 -15.717 5.749 -2.330 1.00 0.00 N ATOM 314 CA SER A 21 -14.416 5.174 -2.027 1.00 0.00 C ATOM 315 C SER A 21 -14.340 4.801 -0.555 1.00 0.00 C ATOM 316 O SER A 21 -13.987 3.675 -0.205 1.00 0.00 O ATOM 317 CB SER A 21 -13.301 6.160 -2.374 1.00 0.00 C ATOM 318 OG SER A 21 -12.295 6.156 -1.376 1.00 0.00 O ATOM 0 H SER A 21 -15.691 6.736 -2.588 1.00 0.00 H new ATOM 0 HA SER A 21 -14.286 4.275 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.864 5.897 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.715 7.163 -2.475 1.00 0.00 H new ATOM 0 HG SER A 21 -11.978 5.240 -1.235 1.00 0.00 H new ATOM 324 N VAL A 22 -14.689 5.753 0.304 1.00 0.00 N ATOM 325 CA VAL A 22 -14.674 5.521 1.740 1.00 0.00 C ATOM 326 C VAL A 22 -15.563 4.338 2.094 1.00 0.00 C ATOM 327 O VAL A 22 -15.212 3.513 2.939 1.00 0.00 O ATOM 328 CB VAL A 22 -15.148 6.760 2.520 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.106 6.492 4.015 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.299 7.972 2.164 1.00 0.00 C ATOM 0 H VAL A 22 -14.985 6.690 0.030 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.643 5.307 2.023 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.179 6.974 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.444 7.378 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.759 5.652 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.085 6.254 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.649 8.839 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.257 7.773 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.382 8.173 1.096 1.00 0.00 H new ATOM 340 N GLU A 23 -16.714 4.255 1.433 1.00 0.00 N ATOM 341 CA GLU A 23 -17.649 3.164 1.668 1.00 0.00 C ATOM 342 C GLU A 23 -17.020 1.837 1.267 1.00 0.00 C ATOM 343 O GLU A 23 -17.258 0.811 1.901 1.00 0.00 O ATOM 344 CB GLU A 23 -18.945 3.391 0.886 1.00 0.00 C ATOM 345 CG GLU A 23 -19.741 4.594 1.368 1.00 0.00 C ATOM 346 CD GLU A 23 -21.229 4.311 1.458 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.670 3.780 2.499 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.952 4.622 0.488 1.00 0.00 O ATOM 0 H GLU A 23 -17.020 4.930 0.732 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.886 3.135 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.705 3.523 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.567 2.499 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.373 4.900 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.574 5.431 0.690 1.00 0.00 H new ATOM 355 N CYS A 24 -16.201 1.870 0.219 1.00 0.00 N ATOM 356 CA CYS A 24 -15.519 0.670 -0.250 1.00 0.00 C ATOM 357 C CYS A 24 -14.427 0.280 0.736 1.00 0.00 C ATOM 358 O CYS A 24 -14.169 -0.903 0.965 1.00 0.00 O ATOM 359 CB CYS A 24 -14.919 0.903 -1.638 1.00 0.00 C ATOM 360 SG CYS A 24 -15.497 -0.257 -2.897 1.00 0.00 S ATOM 0 H CYS A 24 -15.995 2.712 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.243 -0.142 -0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.156 1.918 -1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.833 0.836 -1.569 1.00 0.00 H new ATOM 0 HG CYS A 24 -14.954 0.038 -4.041 1.00 0.00 H new ATOM 366 N ALA A 25 -13.812 1.288 1.344 1.00 0.00 N ATOM 367 CA ALA A 25 -12.776 1.055 2.334 1.00 0.00 C ATOM 368 C ALA A 25 -13.432 0.556 3.604 1.00 0.00 C ATOM 369 O ALA A 25 -12.892 -0.284 4.324 1.00 0.00 O ATOM 370 CB ALA A 25 -11.988 2.329 2.596 1.00 0.00 C ATOM 0 H ALA A 25 -14.015 2.272 1.167 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.073 0.308 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.217 2.133 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.521 2.665 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.660 3.103 2.965 1.00 0.00 H new ATOM 376 N THR A 26 -14.630 1.072 3.845 1.00 0.00 N ATOM 377 CA THR A 26 -15.414 0.684 4.998 1.00 0.00 C ATOM 378 C THR A 26 -15.939 -0.730 4.806 1.00 0.00 C ATOM 379 O THR A 26 -15.945 -1.537 5.735 1.00 0.00 O ATOM 380 CB THR A 26 -16.575 1.652 5.191 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.104 2.941 5.546 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.541 1.204 6.258 1.00 0.00 C ATOM 0 H THR A 26 -15.079 1.767 3.248 1.00 0.00 H new ATOM 0 HA THR A 26 -14.783 0.714 5.886 1.00 0.00 H new ATOM 0 HB THR A 26 -17.097 1.679 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.836 3.426 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.346 1.933 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.959 0.235 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.018 1.120 7.210 1.00 0.00 H new ATOM 390 N GLN A 27 -16.361 -1.028 3.579 1.00 0.00 N ATOM 391 CA GLN A 27 -16.866 -2.352 3.253 1.00 0.00 C ATOM 392 C GLN A 27 -15.812 -3.389 3.599 1.00 0.00 C ATOM 393 O GLN A 27 -16.110 -4.429 4.188 1.00 0.00 O ATOM 394 CB GLN A 27 -17.236 -2.437 1.770 1.00 0.00 C ATOM 395 CG GLN A 27 -16.054 -2.733 0.863 1.00 0.00 C ATOM 396 CD GLN A 27 -16.282 -3.946 -0.017 1.00 0.00 C ATOM 397 OE1 GLN A 27 -16.188 -5.085 0.439 1.00 0.00 O ATOM 398 NE2 GLN A 27 -16.584 -3.705 -1.287 1.00 0.00 N ATOM 0 H GLN A 27 -16.362 -0.370 2.799 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.767 -2.546 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.989 -3.214 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.691 -1.495 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.857 -1.865 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.165 -2.893 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.651 -2.744 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.749 -4.481 -1.928 1.00 0.00 H new ATOM 407 N ALA A 28 -14.568 -3.079 3.248 1.00 0.00 N ATOM 408 CA ALA A 28 -13.449 -3.963 3.542 1.00 0.00 C ATOM 409 C ALA A 28 -13.102 -3.881 5.021 1.00 0.00 C ATOM 410 O ALA A 28 -12.507 -4.795 5.591 1.00 0.00 O ATOM 411 CB ALA A 28 -12.243 -3.594 2.691 1.00 0.00 C ATOM 0 H ALA A 28 -14.311 -2.221 2.759 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.735 -4.987 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.415 -4.264 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.500 -3.687 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.948 -2.566 2.904 1.00 0.00 H new ATOM 417 N LEU A 29 -13.484 -2.769 5.638 1.00 0.00 N ATOM 418 CA LEU A 29 -13.225 -2.550 7.053 1.00 0.00 C ATOM 419 C LEU A 29 -14.142 -3.412 7.915 1.00 0.00 C ATOM 420 O LEU A 29 -13.726 -3.937 8.949 1.00 0.00 O ATOM 421 CB LEU A 29 -13.414 -1.078 7.398 1.00 0.00 C ATOM 422 CG LEU A 29 -12.230 -0.188 7.033 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.716 1.154 6.525 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.314 -0.008 8.229 1.00 0.00 C ATOM 0 H LEU A 29 -13.976 -2.003 5.177 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.194 -2.836 7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.302 -0.708 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.603 -0.990 8.468 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.663 -0.672 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.860 1.778 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.335 1.006 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.304 1.645 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.474 0.629 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.868 0.456 9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.941 -0.980 8.551 1.00 0.00 H new ATOM 436 N GLU A 30 -15.391 -3.553 7.483 1.00 0.00 N ATOM 437 CA GLU A 30 -16.368 -4.350 8.215 1.00 0.00 C ATOM 438 C GLU A 30 -16.279 -5.820 7.818 1.00 0.00 C ATOM 439 O GLU A 30 -16.647 -6.705 8.590 1.00 0.00 O ATOM 440 CB GLU A 30 -17.782 -3.824 7.961 1.00 0.00 C ATOM 441 CG GLU A 30 -18.434 -3.212 9.190 1.00 0.00 C ATOM 442 CD GLU A 30 -19.938 -3.409 9.213 1.00 0.00 C ATOM 443 OE1 GLU A 30 -20.629 -2.819 8.356 1.00 0.00 O ATOM 444 OE2 GLU A 30 -20.425 -4.154 10.089 1.00 0.00 O ATOM 0 H GLU A 30 -15.750 -3.125 6.629 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.144 -4.266 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.745 -3.076 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.405 -4.642 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.000 -3.656 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -18.211 -2.146 9.222 1.00 0.00 H new ATOM 451 N LYS A 31 -15.787 -6.074 6.609 1.00 0.00 N ATOM 452 CA LYS A 31 -15.648 -7.438 6.113 1.00 0.00 C ATOM 453 C LYS A 31 -14.348 -8.060 6.604 1.00 0.00 C ATOM 454 O LYS A 31 -14.288 -9.256 6.891 1.00 0.00 O ATOM 455 CB LYS A 31 -15.695 -7.455 4.585 1.00 0.00 C ATOM 456 CG LYS A 31 -17.095 -7.633 4.023 1.00 0.00 C ATOM 457 CD LYS A 31 -17.487 -6.470 3.126 1.00 0.00 C ATOM 458 CE LYS A 31 -18.888 -6.649 2.566 1.00 0.00 C ATOM 459 NZ LYS A 31 -18.924 -7.659 1.471 1.00 0.00 N ATOM 0 H LYS A 31 -15.478 -5.354 5.956 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.480 -8.028 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.276 -6.523 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.060 -8.262 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.146 -8.563 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.809 -7.719 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.436 -5.539 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.774 -6.385 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.562 -6.956 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.254 -5.693 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.897 -7.752 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.301 -7.354 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.599 -8.578 1.835 1.00 0.00 H new ATOM 473 N TYR A 32 -13.309 -7.239 6.706 1.00 0.00 N ATOM 474 CA TYR A 32 -12.008 -7.703 7.171 1.00 0.00 C ATOM 475 C TYR A 32 -11.258 -6.584 7.884 1.00 0.00 C ATOM 476 O TYR A 32 -11.440 -5.407 7.577 1.00 0.00 O ATOM 477 CB TYR A 32 -11.167 -8.228 6.003 1.00 0.00 C ATOM 478 CG TYR A 32 -11.913 -8.325 4.690 1.00 0.00 C ATOM 479 CD1 TYR A 32 -12.557 -7.221 4.149 1.00 0.00 C ATOM 480 CD2 TYR A 32 -11.963 -9.522 3.988 1.00 0.00 C ATOM 481 CE1 TYR A 32 -13.231 -7.305 2.946 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.633 -9.616 2.784 1.00 0.00 C ATOM 483 CZ TYR A 32 -13.266 -8.505 2.267 1.00 0.00 C ATOM 484 OH TYR A 32 -13.936 -8.595 1.067 1.00 0.00 O ATOM 0 H TYR A 32 -13.343 -6.247 6.472 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.178 -8.517 7.875 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.305 -7.575 5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.783 -9.214 6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.531 -6.280 4.678 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.470 -10.394 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.728 -6.436 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.661 -10.554 2.250 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.863 -9.508 0.719 1.00 0.00 H new ATOM 494 N ASN A 33 -10.413 -6.962 8.836 1.00 0.00 N ATOM 495 CA ASN A 33 -9.631 -5.994 9.595 1.00 0.00 C ATOM 496 C ASN A 33 -8.151 -6.352 9.564 1.00 0.00 C ATOM 497 O ASN A 33 -7.486 -6.380 10.599 1.00 0.00 O ATOM 498 CB ASN A 33 -10.127 -5.930 11.041 1.00 0.00 C ATOM 499 CG ASN A 33 -9.302 -4.987 11.897 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.208 -5.157 13.112 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.702 -3.987 11.265 1.00 0.00 N ATOM 0 H ASN A 33 -10.252 -7.934 9.101 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.758 -5.015 9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.168 -5.607 11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.099 -6.929 11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.135 -3.320 11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.808 -3.885 10.256 1.00 0.00 H new ATOM 508 N ILE A 34 -7.641 -6.626 8.368 1.00 0.00 N ATOM 509 CA ILE A 34 -6.238 -6.983 8.200 1.00 0.00 C ATOM 510 C ILE A 34 -5.501 -5.935 7.378 1.00 0.00 C ATOM 511 O ILE A 34 -4.717 -6.274 6.492 1.00 0.00 O ATOM 512 CB ILE A 34 -6.079 -8.349 7.510 1.00 0.00 C ATOM 513 CG1 ILE A 34 -6.879 -9.416 8.251 1.00 0.00 C ATOM 514 CG2 ILE A 34 -4.608 -8.731 7.435 1.00 0.00 C ATOM 515 CD1 ILE A 34 -6.526 -9.519 9.714 1.00 0.00 C ATOM 0 H ILE A 34 -8.178 -6.608 7.501 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.808 -7.035 9.200 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.468 -8.277 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.942 -9.195 8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.711 -10.382 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.508 -9.699 6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.065 -7.978 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.196 -8.790 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.131 -10.296 10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.470 -9.771 9.817 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.721 -8.565 10.203 1.00 0.00 H new ATOM 527 N GLU A 35 -5.756 -4.666 7.673 1.00 0.00 N ATOM 528 CA GLU A 35 -5.112 -3.574 6.953 1.00 0.00 C ATOM 529 C GLU A 35 -4.899 -3.948 5.490 1.00 0.00 C ATOM 530 O GLU A 35 -5.745 -3.671 4.641 1.00 0.00 O ATOM 531 CB GLU A 35 -3.776 -3.219 7.609 1.00 0.00 C ATOM 532 CG GLU A 35 -3.884 -2.112 8.644 1.00 0.00 C ATOM 533 CD GLU A 35 -4.178 -2.638 10.036 1.00 0.00 C ATOM 534 OE1 GLU A 35 -3.463 -3.559 10.486 1.00 0.00 O ATOM 535 OE2 GLU A 35 -5.120 -2.129 10.676 1.00 0.00 O ATOM 0 H GLU A 35 -6.402 -4.368 8.404 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.765 -2.702 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.365 -4.110 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.070 -2.915 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.953 -1.546 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.672 -1.419 8.348 1.00 0.00 H new ATOM 542 N LYS A 36 -3.771 -4.589 5.201 1.00 0.00 N ATOM 543 CA LYS A 36 -3.464 -5.006 3.837 1.00 0.00 C ATOM 544 C LYS A 36 -4.698 -5.607 3.173 1.00 0.00 C ATOM 545 O LYS A 36 -5.104 -5.181 2.092 1.00 0.00 O ATOM 546 CB LYS A 36 -2.318 -6.022 3.828 1.00 0.00 C ATOM 547 CG LYS A 36 -1.779 -6.351 5.211 1.00 0.00 C ATOM 548 CD LYS A 36 -0.523 -5.554 5.519 1.00 0.00 C ATOM 549 CE LYS A 36 0.213 -6.120 6.724 1.00 0.00 C ATOM 550 NZ LYS A 36 1.690 -6.001 6.579 1.00 0.00 N ATOM 0 H LYS A 36 -3.058 -4.830 5.889 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.154 -4.126 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.663 -6.941 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.505 -5.634 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.541 -6.137 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.560 -7.417 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.137 -5.562 4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.788 -4.514 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.107 -5.595 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.056 -7.168 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.155 -6.398 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.999 -6.523 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.950 -4.999 6.481 1.00 0.00 H new ATOM 564 N ASP A 37 -5.293 -6.599 3.832 1.00 0.00 N ATOM 565 CA ASP A 37 -6.485 -7.256 3.311 1.00 0.00 C ATOM 566 C ASP A 37 -7.492 -6.224 2.813 1.00 0.00 C ATOM 567 O ASP A 37 -7.830 -6.192 1.629 1.00 0.00 O ATOM 568 CB ASP A 37 -7.125 -8.129 4.394 1.00 0.00 C ATOM 569 CG ASP A 37 -7.887 -9.305 3.814 1.00 0.00 C ATOM 570 OD1 ASP A 37 -7.242 -10.197 3.226 1.00 0.00 O ATOM 571 OD2 ASP A 37 -9.128 -9.332 3.950 1.00 0.00 O ATOM 0 H ASP A 37 -4.968 -6.964 4.727 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.190 -7.888 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.349 -8.498 5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.802 -7.521 4.994 1.00 0.00 H new ATOM 576 N ILE A 38 -7.964 -5.381 3.725 1.00 0.00 N ATOM 577 CA ILE A 38 -8.930 -4.345 3.383 1.00 0.00 C ATOM 578 C ILE A 38 -8.528 -3.618 2.106 1.00 0.00 C ATOM 579 O ILE A 38 -9.281 -3.588 1.132 1.00 0.00 O ATOM 580 CB ILE A 38 -9.072 -3.316 4.522 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.513 -4.008 5.812 1.00 0.00 C ATOM 582 CG2 ILE A 38 -10.059 -2.225 4.133 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.640 -3.679 7.002 1.00 0.00 C ATOM 0 H ILE A 38 -7.692 -5.395 4.708 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.887 -4.843 3.228 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.101 -2.853 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.541 -3.722 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.509 -5.087 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.147 -1.507 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.704 -1.715 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.034 -2.670 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.011 -4.204 7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.615 -3.991 6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.663 -2.605 7.184 1.00 0.00 H new ATOM 595 N ALA A 39 -7.335 -3.032 2.115 1.00 0.00 N ATOM 596 CA ALA A 39 -6.833 -2.304 0.956 1.00 0.00 C ATOM 597 C ALA A 39 -6.977 -3.131 -0.317 1.00 0.00 C ATOM 598 O ALA A 39 -7.572 -2.681 -1.296 1.00 0.00 O ATOM 599 CB ALA A 39 -5.381 -1.906 1.170 1.00 0.00 C ATOM 0 H ALA A 39 -6.698 -3.047 2.912 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.431 -1.400 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.020 -1.363 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.305 -1.268 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.776 -2.801 1.317 1.00 0.00 H new ATOM 605 N ALA A 40 -6.429 -4.342 -0.297 1.00 0.00 N ATOM 606 CA ALA A 40 -6.498 -5.230 -1.450 1.00 0.00 C ATOM 607 C ALA A 40 -7.886 -5.204 -2.081 1.00 0.00 C ATOM 608 O ALA A 40 -8.031 -4.938 -3.274 1.00 0.00 O ATOM 609 CB ALA A 40 -6.129 -6.649 -1.045 1.00 0.00 C ATOM 0 H ALA A 40 -5.933 -4.730 0.505 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.783 -4.877 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.185 -7.302 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.115 -6.661 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.823 -7.002 -0.282 1.00 0.00 H new ATOM 615 N HIS A 41 -8.904 -5.481 -1.273 1.00 0.00 N ATOM 616 CA HIS A 41 -10.280 -5.488 -1.756 1.00 0.00 C ATOM 617 C HIS A 41 -10.676 -4.114 -2.283 1.00 0.00 C ATOM 618 O HIS A 41 -11.195 -3.989 -3.392 1.00 0.00 O ATOM 619 CB HIS A 41 -11.235 -5.914 -0.641 1.00 0.00 C ATOM 620 CG HIS A 41 -10.570 -6.685 0.456 1.00 0.00 C ATOM 621 ND1 HIS A 41 -10.828 -6.467 1.793 1.00 0.00 N ATOM 622 CD2 HIS A 41 -9.652 -7.679 0.409 1.00 0.00 C ATOM 623 CE1 HIS A 41 -10.096 -7.292 2.520 1.00 0.00 C ATOM 624 NE2 HIS A 41 -9.376 -8.040 1.705 1.00 0.00 N ATOM 0 H HIS A 41 -8.803 -5.703 -0.283 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.347 -6.206 -2.573 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.704 -5.026 -0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -12.032 -6.522 -1.069 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.482 -5.777 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.218 -8.108 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.088 -7.345 3.599 1.00 0.00 H new ATOM 633 N ILE A 42 -10.428 -3.086 -1.479 1.00 0.00 N ATOM 634 CA ILE A 42 -10.758 -1.720 -1.861 1.00 0.00 C ATOM 635 C ILE A 42 -10.275 -1.410 -3.274 1.00 0.00 C ATOM 636 O ILE A 42 -11.078 -1.256 -4.195 1.00 0.00 O ATOM 637 CB ILE A 42 -10.143 -0.700 -0.884 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.599 -0.996 0.545 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.526 0.718 -1.283 1.00 0.00 C ATOM 640 CD1 ILE A 42 -9.975 -0.087 1.582 1.00 0.00 C ATOM 0 H ILE A 42 -9.999 -3.174 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.844 -1.636 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.057 -0.787 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.684 -0.902 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.356 -2.030 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.083 1.425 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.159 0.925 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.611 0.821 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.345 -0.356 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.891 -0.198 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.239 0.948 1.365 1.00 0.00 H new ATOM 652 N LYS A 43 -8.959 -1.320 -3.441 1.00 0.00 N ATOM 653 CA LYS A 43 -8.374 -1.026 -4.745 1.00 0.00 C ATOM 654 C LYS A 43 -8.948 -1.942 -5.820 1.00 0.00 C ATOM 655 O LYS A 43 -9.656 -1.492 -6.720 1.00 0.00 O ATOM 656 CB LYS A 43 -6.853 -1.177 -4.692 1.00 0.00 C ATOM 657 CG LYS A 43 -6.186 -1.101 -6.057 1.00 0.00 C ATOM 658 CD LYS A 43 -6.243 -2.437 -6.781 1.00 0.00 C ATOM 659 CE LYS A 43 -5.111 -2.573 -7.786 1.00 0.00 C ATOM 660 NZ LYS A 43 -4.254 -3.756 -7.501 1.00 0.00 N ATOM 0 H LYS A 43 -8.279 -1.446 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.622 0.004 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.441 -0.397 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.607 -2.133 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.677 -0.338 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.147 -0.794 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.186 -3.248 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.200 -2.534 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.526 -2.659 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.501 -1.670 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.262 -3.524 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.346 -4.018 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.555 -4.554 -8.096 1.00 0.00 H new ATOM 674 N LYS A 44 -8.636 -3.231 -5.720 1.00 0.00 N ATOM 675 CA LYS A 44 -9.120 -4.212 -6.684 1.00 0.00 C ATOM 676 C LYS A 44 -10.504 -3.832 -7.199 1.00 0.00 C ATOM 677 O LYS A 44 -10.701 -3.629 -8.398 1.00 0.00 O ATOM 678 CB LYS A 44 -9.158 -5.602 -6.048 1.00 0.00 C ATOM 679 CG LYS A 44 -9.894 -6.636 -6.883 1.00 0.00 C ATOM 680 CD LYS A 44 -11.389 -6.598 -6.617 1.00 0.00 C ATOM 681 CE LYS A 44 -11.822 -7.741 -5.712 1.00 0.00 C ATOM 682 NZ LYS A 44 -12.776 -7.288 -4.661 1.00 0.00 N ATOM 0 H LYS A 44 -8.050 -3.620 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.433 -4.227 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.136 -5.943 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.635 -5.532 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.706 -6.453 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.508 -7.630 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.654 -5.647 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.930 -6.655 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.288 -8.523 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.944 -8.182 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.046 -8.097 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.323 -6.560 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.625 -6.890 -5.111 1.00 0.00 H new ATOM 696 N GLU A 45 -11.459 -3.734 -6.283 1.00 0.00 N ATOM 697 CA GLU A 45 -12.827 -3.373 -6.641 1.00 0.00 C ATOM 698 C GLU A 45 -12.853 -2.062 -7.417 1.00 0.00 C ATOM 699 O GLU A 45 -13.389 -1.993 -8.522 1.00 0.00 O ATOM 700 CB GLU A 45 -13.694 -3.256 -5.386 1.00 0.00 C ATOM 701 CG GLU A 45 -15.187 -3.259 -5.674 1.00 0.00 C ATOM 702 CD GLU A 45 -15.720 -4.649 -5.961 1.00 0.00 C ATOM 703 OE1 GLU A 45 -16.038 -5.374 -4.995 1.00 0.00 O ATOM 704 OE2 GLU A 45 -15.821 -5.011 -7.152 1.00 0.00 O ATOM 0 H GLU A 45 -11.313 -3.899 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.231 -4.161 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.460 -4.083 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.436 -2.336 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.719 -2.838 -4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.390 -2.612 -6.527 1.00 0.00 H new ATOM 711 N PHE A 46 -12.267 -1.022 -6.830 1.00 0.00 N ATOM 712 CA PHE A 46 -12.219 0.287 -7.466 1.00 0.00 C ATOM 713 C PHE A 46 -11.649 0.187 -8.876 1.00 0.00 C ATOM 714 O PHE A 46 -12.020 0.955 -9.763 1.00 0.00 O ATOM 715 CB PHE A 46 -11.375 1.251 -6.631 1.00 0.00 C ATOM 716 CG PHE A 46 -12.182 2.331 -5.972 1.00 0.00 C ATOM 717 CD1 PHE A 46 -13.117 2.017 -4.999 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.008 3.658 -6.328 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.863 3.008 -4.392 1.00 0.00 C ATOM 720 CE2 PHE A 46 -12.752 4.654 -5.725 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.681 4.328 -4.756 1.00 0.00 C ATOM 0 H PHE A 46 -11.819 -1.063 -5.914 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.238 0.668 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.843 0.687 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.621 1.710 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.264 0.986 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.283 3.917 -7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.588 2.751 -3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.608 5.685 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 46 -14.264 5.104 -4.284 1.00 0.00 H new ATOM 731 N ASP A 47 -10.745 -0.765 -9.073 1.00 0.00 N ATOM 732 CA ASP A 47 -10.121 -0.967 -10.375 1.00 0.00 C ATOM 733 C ASP A 47 -11.104 -1.597 -11.357 1.00 0.00 C ATOM 734 O ASP A 47 -11.044 -1.340 -12.559 1.00 0.00 O ATOM 735 CB ASP A 47 -8.882 -1.854 -10.238 1.00 0.00 C ATOM 736 CG ASP A 47 -7.664 -1.077 -9.777 1.00 0.00 C ATOM 737 OD1 ASP A 47 -7.655 -0.621 -8.614 1.00 0.00 O ATOM 738 OD2 ASP A 47 -6.718 -0.926 -10.578 1.00 0.00 O ATOM 0 H ASP A 47 -10.428 -1.409 -8.348 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.822 0.007 -10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.089 -2.655 -9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.668 -2.325 -11.197 1.00 0.00 H new ATOM 743 N LYS A 48 -12.004 -2.427 -10.839 1.00 0.00 N ATOM 744 CA LYS A 48 -12.993 -3.097 -11.675 1.00 0.00 C ATOM 745 C LYS A 48 -14.380 -2.488 -11.492 1.00 0.00 C ATOM 746 O LYS A 48 -15.360 -2.977 -12.055 1.00 0.00 O ATOM 747 CB LYS A 48 -13.035 -4.592 -11.354 1.00 0.00 C ATOM 748 CG LYS A 48 -12.091 -5.424 -12.206 1.00 0.00 C ATOM 749 CD LYS A 48 -12.489 -5.395 -13.673 1.00 0.00 C ATOM 750 CE LYS A 48 -13.786 -6.150 -13.916 1.00 0.00 C ATOM 751 NZ LYS A 48 -13.666 -7.589 -13.550 1.00 0.00 N ATOM 0 H LYS A 48 -12.069 -2.651 -9.846 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.696 -2.960 -12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.785 -4.737 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.053 -4.956 -11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.074 -5.048 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.090 -6.454 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.602 -4.361 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.693 -5.834 -14.275 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.587 -5.693 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.065 -6.064 -14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.435 -8.127 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.750 -7.955 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.730 -7.691 -12.517 1.00 0.00 H new ATOM 765 N LYS A 49 -14.461 -1.419 -10.706 1.00 0.00 N ATOM 766 CA LYS A 49 -15.732 -0.751 -10.458 1.00 0.00 C ATOM 767 C LYS A 49 -15.657 0.727 -10.828 1.00 0.00 C ATOM 768 O LYS A 49 -16.532 1.513 -10.464 1.00 0.00 O ATOM 769 CB LYS A 49 -16.139 -0.905 -8.990 1.00 0.00 C ATOM 770 CG LYS A 49 -17.644 -0.898 -8.773 1.00 0.00 C ATOM 771 CD LYS A 49 -18.001 -1.132 -7.312 1.00 0.00 C ATOM 772 CE LYS A 49 -18.882 -0.019 -6.766 1.00 0.00 C ATOM 773 NZ LYS A 49 -20.070 0.227 -7.630 1.00 0.00 N ATOM 0 H LYS A 49 -13.663 -0.998 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.487 -1.223 -11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.729 -1.838 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.693 -0.097 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.055 0.057 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.104 -1.671 -9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.516 -2.087 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.088 -1.198 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.213 -0.279 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.298 0.898 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.854 0.585 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.830 0.930 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.356 -0.662 -8.088 1.00 0.00 H new ATOM 787 N TYR A 50 -14.607 1.099 -11.554 1.00 0.00 N ATOM 788 CA TYR A 50 -14.421 2.486 -11.972 1.00 0.00 C ATOM 789 C TYR A 50 -13.469 2.579 -13.159 1.00 0.00 C ATOM 790 O TYR A 50 -13.872 2.951 -14.262 1.00 0.00 O ATOM 791 CB TYR A 50 -13.880 3.324 -10.812 1.00 0.00 C ATOM 792 CG TYR A 50 -14.702 3.218 -9.548 1.00 0.00 C ATOM 793 CD1 TYR A 50 -15.795 4.048 -9.336 1.00 0.00 C ATOM 794 CD2 TYR A 50 -14.386 2.287 -8.568 1.00 0.00 C ATOM 795 CE1 TYR A 50 -16.548 3.955 -8.181 1.00 0.00 C ATOM 796 CE2 TYR A 50 -15.134 2.186 -7.411 1.00 0.00 C ATOM 797 CZ TYR A 50 -16.214 3.022 -7.222 1.00 0.00 C ATOM 798 OH TYR A 50 -16.962 2.925 -6.070 1.00 0.00 O ATOM 0 H TYR A 50 -13.873 0.462 -11.865 1.00 0.00 H new ATOM 0 HA TYR A 50 -15.393 2.875 -12.276 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.858 3.013 -10.597 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -13.837 4.369 -11.120 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -16.061 4.778 -10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.541 1.630 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.394 4.610 -8.030 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.874 1.456 -6.659 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.366 2.918 -5.292 1.00 0.00 H new ATOM 808 N ASN A 51 -12.206 2.243 -12.923 1.00 0.00 N ATOM 809 CA ASN A 51 -11.187 2.290 -13.966 1.00 0.00 C ATOM 810 C ASN A 51 -9.786 2.291 -13.354 1.00 0.00 C ATOM 811 O ASN A 51 -9.410 3.233 -12.655 1.00 0.00 O ATOM 812 CB ASN A 51 -11.371 3.536 -14.837 1.00 0.00 C ATOM 813 CG ASN A 51 -10.062 4.029 -15.425 1.00 0.00 C ATOM 814 OD1 ASN A 51 -9.774 5.226 -15.411 1.00 0.00 O ATOM 815 ND2 ASN A 51 -9.261 3.106 -15.946 1.00 0.00 N ATOM 0 H ASN A 51 -11.862 1.934 -12.014 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.298 1.401 -14.587 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.067 3.312 -15.645 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.820 4.330 -14.240 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.368 3.379 -16.356 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.539 2.125 -15.936 1.00 0.00 H new ATOM 822 N PRO A 52 -8.992 1.235 -13.608 1.00 0.00 N ATOM 823 CA PRO A 52 -7.629 1.129 -13.075 1.00 0.00 C ATOM 824 C PRO A 52 -6.697 2.210 -13.635 1.00 0.00 C ATOM 825 O PRO A 52 -7.067 2.924 -14.567 1.00 0.00 O ATOM 826 CB PRO A 52 -7.169 -0.260 -13.527 1.00 0.00 C ATOM 827 CG PRO A 52 -8.028 -0.584 -14.701 1.00 0.00 C ATOM 828 CD PRO A 52 -9.354 0.067 -14.431 1.00 0.00 C ATOM 0 HA PRO A 52 -7.607 1.266 -11.994 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.113 -0.258 -13.798 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.292 -0.995 -12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.588 -0.206 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.139 -1.662 -14.819 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.853 0.363 -15.354 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.032 -0.603 -13.903 1.00 0.00 H new ATOM 836 N THR A 53 -5.481 2.335 -13.075 1.00 0.00 N ATOM 837 CA THR A 53 -5.028 1.496 -11.967 1.00 0.00 C ATOM 838 C THR A 53 -5.103 2.264 -10.657 1.00 0.00 C ATOM 839 O THR A 53 -4.598 3.381 -10.549 1.00 0.00 O ATOM 840 CB THR A 53 -3.601 1.005 -12.216 1.00 0.00 C ATOM 841 OG1 THR A 53 -3.354 -0.197 -11.510 1.00 0.00 O ATOM 842 CG2 THR A 53 -2.543 2.005 -11.802 1.00 0.00 C ATOM 0 H THR A 53 -4.791 3.021 -13.382 1.00 0.00 H new ATOM 0 HA THR A 53 -5.685 0.629 -11.899 1.00 0.00 H new ATOM 0 HB THR A 53 -3.532 0.852 -13.293 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.152 0.009 -10.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.554 1.594 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.675 2.929 -12.365 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.637 2.214 -10.736 1.00 0.00 H new ATOM 850 N TRP A 54 -5.752 1.666 -9.668 1.00 0.00 N ATOM 851 CA TRP A 54 -5.909 2.307 -8.373 1.00 0.00 C ATOM 852 C TRP A 54 -4.819 1.888 -7.395 1.00 0.00 C ATOM 853 O TRP A 54 -4.283 0.782 -7.467 1.00 0.00 O ATOM 854 CB TRP A 54 -7.284 1.984 -7.795 1.00 0.00 C ATOM 855 CG TRP A 54 -8.405 2.449 -8.668 1.00 0.00 C ATOM 856 CD1 TRP A 54 -8.855 1.850 -9.809 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.210 3.615 -8.480 1.00 0.00 C ATOM 858 NE1 TRP A 54 -9.892 2.574 -10.341 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.134 3.660 -9.540 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.242 4.625 -7.515 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -11.079 4.678 -9.662 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -10.179 5.632 -7.636 1.00 0.00 C ATOM 863 CH2 TRP A 54 -11.087 5.653 -8.701 1.00 0.00 C ATOM 0 H TRP A 54 -6.176 0.741 -9.738 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.819 3.383 -8.524 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.367 0.907 -7.648 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.378 2.448 -6.813 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.454 0.940 -10.231 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.400 2.342 -11.194 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.546 4.618 -6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.779 4.697 -10.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.212 6.418 -6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.808 6.454 -8.766 1.00 0.00 H new ATOM 874 N HIS A 55 -4.519 2.790 -6.473 1.00 0.00 N ATOM 875 CA HIS A 55 -3.514 2.558 -5.446 1.00 0.00 C ATOM 876 C HIS A 55 -4.047 3.056 -4.112 1.00 0.00 C ATOM 877 O HIS A 55 -3.950 4.241 -3.796 1.00 0.00 O ATOM 878 CB HIS A 55 -2.210 3.278 -5.796 1.00 0.00 C ATOM 879 CG HIS A 55 -1.976 3.417 -7.268 1.00 0.00 C ATOM 880 ND1 HIS A 55 -0.761 3.153 -7.865 1.00 0.00 N ATOM 881 CD2 HIS A 55 -2.808 3.797 -8.268 1.00 0.00 C ATOM 882 CE1 HIS A 55 -0.856 3.366 -9.166 1.00 0.00 C ATOM 883 NE2 HIS A 55 -2.089 3.756 -9.436 1.00 0.00 N ATOM 0 H HIS A 55 -4.966 3.705 -6.415 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.303 1.490 -5.383 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.220 4.270 -5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.375 2.734 -5.354 1.00 0.00 H new ATOM 0 HD1 HIS A 55 0.080 2.842 -7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.845 4.080 -8.165 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.061 3.242 -9.886 1.00 0.00 H new ATOM 892 N CYS A 56 -4.644 2.152 -3.346 1.00 0.00 N ATOM 893 CA CYS A 56 -5.230 2.517 -2.065 1.00 0.00 C ATOM 894 C CYS A 56 -4.536 1.836 -0.894 1.00 0.00 C ATOM 895 O CYS A 56 -3.947 0.765 -1.034 1.00 0.00 O ATOM 896 CB CYS A 56 -6.716 2.161 -2.054 1.00 0.00 C ATOM 897 SG CYS A 56 -7.052 0.413 -1.740 1.00 0.00 S ATOM 0 H CYS A 56 -4.735 1.165 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.099 3.592 -1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.217 2.759 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.152 2.437 -3.014 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.568 0.080 -0.580 1.00 0.00 H new ATOM 903 N ILE A 57 -4.635 2.473 0.265 1.00 0.00 N ATOM 904 CA ILE A 57 -4.045 1.953 1.491 1.00 0.00 C ATOM 905 C ILE A 57 -5.101 1.886 2.591 1.00 0.00 C ATOM 906 O ILE A 57 -6.232 2.332 2.398 1.00 0.00 O ATOM 907 CB ILE A 57 -2.872 2.833 1.966 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.967 3.195 0.786 1.00 0.00 C ATOM 909 CG2 ILE A 57 -2.078 2.127 3.053 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.477 1.994 0.008 1.00 0.00 C ATOM 0 H ILE A 57 -5.124 3.360 0.382 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.665 0.953 1.279 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.278 3.753 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.510 3.857 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.107 3.753 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.255 2.765 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.729 1.919 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.680 1.190 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.842 2.327 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.905 1.341 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.331 1.447 -0.393 1.00 0.00 H new ATOM 922 N VAL A 58 -4.737 1.329 3.740 1.00 0.00 N ATOM 923 CA VAL A 58 -5.674 1.218 4.852 1.00 0.00 C ATOM 924 C VAL A 58 -4.983 0.755 6.129 1.00 0.00 C ATOM 925 O VAL A 58 -4.566 -0.397 6.241 1.00 0.00 O ATOM 926 CB VAL A 58 -6.822 0.248 4.526 1.00 0.00 C ATOM 927 CG1 VAL A 58 -6.275 -1.133 4.224 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.822 0.196 5.672 1.00 0.00 C ATOM 0 H VAL A 58 -3.808 0.950 3.926 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.081 2.217 5.011 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.343 0.612 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.099 -1.809 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.602 -1.079 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.730 -1.506 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.626 -0.496 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.320 -0.144 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.237 1.190 5.838 1.00 0.00 H new ATOM 938 N GLY A 59 -4.878 1.664 7.090 1.00 0.00 N ATOM 939 CA GLY A 59 -4.249 1.344 8.355 1.00 0.00 C ATOM 940 C GLY A 59 -4.757 2.228 9.474 1.00 0.00 C ATOM 941 O GLY A 59 -5.961 2.461 9.589 1.00 0.00 O ATOM 0 H GLY A 59 -5.220 2.622 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.439 0.300 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.169 1.458 8.263 1.00 0.00 H new ATOM 945 N ARG A 60 -3.846 2.722 10.304 1.00 0.00 N ATOM 946 CA ARG A 60 -4.218 3.578 11.413 1.00 0.00 C ATOM 947 C ARG A 60 -2.988 4.137 12.120 1.00 0.00 C ATOM 948 O ARG A 60 -3.099 5.023 12.968 1.00 0.00 O ATOM 949 CB ARG A 60 -5.073 2.791 12.394 1.00 0.00 C ATOM 950 CG ARG A 60 -4.493 1.432 12.751 1.00 0.00 C ATOM 951 CD ARG A 60 -5.552 0.513 13.337 1.00 0.00 C ATOM 952 NE ARG A 60 -4.992 -0.427 14.302 1.00 0.00 N ATOM 953 CZ ARG A 60 -5.639 -0.839 15.388 1.00 0.00 C ATOM 954 NH1 ARG A 60 -6.857 -0.382 15.648 1.00 0.00 N ATOM 955 NH2 ARG A 60 -5.069 -1.705 16.215 1.00 0.00 N ATOM 0 H ARG A 60 -2.845 2.542 10.226 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.788 4.421 11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.196 3.375 13.306 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.066 2.652 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.063 0.973 11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.682 1.558 13.468 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.323 1.112 13.821 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.036 -0.040 12.532 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.053 -0.788 14.134 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.297 0.285 15.015 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.353 -0.698 16.481 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.132 -2.057 16.019 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.568 -2.019 17.047 1.00 0.00 H new ATOM 969 N ASN A 61 -1.816 3.616 11.767 1.00 0.00 N ATOM 970 CA ASN A 61 -0.570 4.069 12.376 1.00 0.00 C ATOM 971 C ASN A 61 0.591 3.966 11.392 1.00 0.00 C ATOM 972 O ASN A 61 1.674 3.499 11.745 1.00 0.00 O ATOM 973 CB ASN A 61 -0.263 3.247 13.627 1.00 0.00 C ATOM 974 CG ASN A 61 -0.399 1.757 13.386 1.00 0.00 C ATOM 975 OD1 ASN A 61 -0.345 0.956 14.320 1.00 0.00 O ATOM 976 ND2 ASN A 61 -0.574 1.376 12.126 1.00 0.00 N ATOM 0 H ASN A 61 -1.703 2.884 11.066 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.693 5.116 12.655 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.750 3.467 13.964 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.937 3.546 14.429 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.670 0.386 11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.613 2.074 11.383 1.00 0.00 H new ATOM 983 N PHE A 62 0.362 4.404 10.159 1.00 0.00 N ATOM 984 CA PHE A 62 1.394 4.359 9.132 1.00 0.00 C ATOM 985 C PHE A 62 1.702 5.760 8.606 1.00 0.00 C ATOM 986 O PHE A 62 0.944 6.701 8.839 1.00 0.00 O ATOM 987 CB PHE A 62 0.954 3.454 7.981 1.00 0.00 C ATOM 988 CG PHE A 62 -0.218 3.996 7.216 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.451 4.147 7.828 1.00 0.00 C ATOM 990 CD2 PHE A 62 -0.085 4.358 5.886 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.530 4.650 7.129 1.00 0.00 C ATOM 992 CE2 PHE A 62 -1.160 4.860 5.180 1.00 0.00 C ATOM 993 CZ PHE A 62 -2.384 5.008 5.802 1.00 0.00 C ATOM 0 H PHE A 62 -0.528 4.793 9.848 1.00 0.00 H new ATOM 0 HA PHE A 62 2.301 3.953 9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.792 3.313 7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.698 2.472 8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.570 3.868 8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.871 4.246 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.486 4.764 7.618 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.044 5.137 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.226 5.403 5.252 1.00 0.00 H new ATOM 1003 N GLY A 63 2.814 5.885 7.891 1.00 0.00 N ATOM 1004 CA GLY A 63 3.205 7.168 7.335 1.00 0.00 C ATOM 1005 C GLY A 63 3.135 7.170 5.823 1.00 0.00 C ATOM 1006 O GLY A 63 4.126 6.891 5.148 1.00 0.00 O ATOM 0 H GLY A 63 3.454 5.118 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.555 7.949 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.220 7.408 7.652 1.00 0.00 H new ATOM 1010 N SER A 64 1.958 7.470 5.291 1.00 0.00 N ATOM 1011 CA SER A 64 1.759 7.489 3.847 1.00 0.00 C ATOM 1012 C SER A 64 2.234 8.803 3.232 1.00 0.00 C ATOM 1013 O SER A 64 1.721 9.875 3.551 1.00 0.00 O ATOM 1014 CB SER A 64 0.286 7.248 3.509 1.00 0.00 C ATOM 1015 OG SER A 64 -0.566 7.910 4.428 1.00 0.00 O ATOM 0 H SER A 64 1.128 7.703 5.836 1.00 0.00 H new ATOM 0 HA SER A 64 2.359 6.685 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.080 7.601 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.078 6.178 3.522 1.00 0.00 H new ATOM 0 HG SER A 64 -1.448 8.039 4.022 1.00 0.00 H new ATOM 1021 N TYR A 65 3.218 8.702 2.343 1.00 0.00 N ATOM 1022 CA TYR A 65 3.773 9.869 1.667 1.00 0.00 C ATOM 1023 C TYR A 65 3.878 9.619 0.166 1.00 0.00 C ATOM 1024 O TYR A 65 4.962 9.354 -0.356 1.00 0.00 O ATOM 1025 CB TYR A 65 5.154 10.201 2.234 1.00 0.00 C ATOM 1026 CG TYR A 65 5.534 11.658 2.108 1.00 0.00 C ATOM 1027 CD1 TYR A 65 5.056 12.600 3.010 1.00 0.00 C ATOM 1028 CD2 TYR A 65 6.376 12.090 1.092 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.405 13.932 2.902 1.00 0.00 C ATOM 1030 CE2 TYR A 65 6.732 13.420 0.978 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.244 14.337 1.885 1.00 0.00 C ATOM 1032 OH TYR A 65 6.597 15.662 1.775 1.00 0.00 O ATOM 0 H TYR A 65 3.649 7.818 2.073 1.00 0.00 H new ATOM 0 HA TYR A 65 3.105 10.713 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.181 9.918 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.901 9.595 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.401 12.286 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.759 11.375 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.023 14.652 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.389 13.740 0.183 1.00 0.00 H new ATOM 0 HH TYR A 65 7.194 15.779 1.006 1.00 0.00 H new ATOM 1042 N VAL A 66 2.743 9.696 -0.522 1.00 0.00 N ATOM 1043 CA VAL A 66 2.707 9.473 -1.962 1.00 0.00 C ATOM 1044 C VAL A 66 2.020 10.625 -2.684 1.00 0.00 C ATOM 1045 O VAL A 66 1.018 11.161 -2.208 1.00 0.00 O ATOM 1046 CB VAL A 66 1.979 8.161 -2.310 1.00 0.00 C ATOM 1047 CG1 VAL A 66 2.518 7.009 -1.475 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.479 8.315 -2.113 1.00 0.00 C ATOM 0 H VAL A 66 1.837 9.911 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 66 3.743 9.407 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 66 2.164 7.934 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.990 6.092 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.583 6.884 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.368 7.225 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.019 7.378 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.273 8.569 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.107 9.109 -2.761 1.00 0.00 H new ATOM 1058 N THR A 67 2.562 10.998 -3.837 1.00 0.00 N ATOM 1059 CA THR A 67 1.998 12.084 -4.631 1.00 0.00 C ATOM 1060 C THR A 67 1.067 11.542 -5.711 1.00 0.00 C ATOM 1061 O THR A 67 1.482 10.760 -6.566 1.00 0.00 O ATOM 1062 CB THR A 67 3.114 12.911 -5.270 1.00 0.00 C ATOM 1063 OG1 THR A 67 2.639 14.193 -5.641 1.00 0.00 O ATOM 1064 CG2 THR A 67 3.701 12.266 -6.502 1.00 0.00 C ATOM 0 H THR A 67 3.391 10.565 -4.243 1.00 0.00 H new ATOM 0 HA THR A 67 1.419 12.724 -3.965 1.00 0.00 H new ATOM 0 HB THR A 67 3.892 12.984 -4.510 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.368 14.707 -6.046 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.487 12.903 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.120 11.295 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.920 12.134 -7.251 1.00 0.00 H new ATOM 1072 N HIS A 68 -0.194 11.962 -5.666 1.00 0.00 N ATOM 1073 CA HIS A 68 -1.183 11.515 -6.641 1.00 0.00 C ATOM 1074 C HIS A 68 -0.776 11.922 -8.054 1.00 0.00 C ATOM 1075 O HIS A 68 0.376 12.281 -8.298 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.560 12.089 -6.305 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.667 13.567 -6.524 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -1.575 14.376 -6.759 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -3.748 14.383 -6.544 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -1.979 15.625 -6.913 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -3.293 15.654 -6.787 1.00 0.00 N ATOM 0 H HIS A 68 -0.554 12.610 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.234 10.427 -6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.312 11.585 -6.913 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.792 11.867 -5.263 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.776 14.088 -6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.343 16.476 -7.108 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.876 16.488 -6.859 1.00 0.00 H new ATOM 1090 N GLU A 69 -1.725 11.860 -8.983 1.00 0.00 N ATOM 1091 CA GLU A 69 -1.454 12.219 -10.370 1.00 0.00 C ATOM 1092 C GLU A 69 -2.452 13.254 -10.881 1.00 0.00 C ATOM 1093 O GLU A 69 -2.066 14.244 -11.502 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.496 10.972 -11.257 1.00 0.00 C ATOM 1095 CG GLU A 69 -0.672 9.813 -10.720 1.00 0.00 C ATOM 1096 CD GLU A 69 0.336 9.300 -11.728 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -0.079 8.610 -12.684 1.00 0.00 O ATOM 1098 OE2 GLU A 69 1.540 9.586 -11.563 1.00 0.00 O ATOM 0 H GLU A 69 -2.685 11.566 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.457 12.658 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.531 10.650 -11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.136 11.232 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.149 10.131 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.339 9.000 -10.432 1.00 0.00 H new ATOM 1105 N THR A 70 -3.735 13.020 -10.623 1.00 0.00 N ATOM 1106 CA THR A 70 -4.776 13.939 -11.069 1.00 0.00 C ATOM 1107 C THR A 70 -6.048 13.788 -10.239 1.00 0.00 C ATOM 1108 O THR A 70 -6.671 14.779 -9.858 1.00 0.00 O ATOM 1109 CB THR A 70 -5.089 13.701 -12.547 1.00 0.00 C ATOM 1110 OG1 THR A 70 -3.993 14.083 -13.358 1.00 0.00 O ATOM 1111 CG2 THR A 70 -6.306 14.456 -13.033 1.00 0.00 C ATOM 0 H THR A 70 -4.077 12.207 -10.111 1.00 0.00 H new ATOM 0 HA THR A 70 -4.404 14.955 -10.935 1.00 0.00 H new ATOM 0 HB THR A 70 -5.290 12.633 -12.630 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.318 14.531 -12.806 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.470 14.241 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.180 14.146 -12.460 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.147 15.526 -12.901 1.00 0.00 H new ATOM 1119 N LYS A 71 -6.433 12.546 -9.963 1.00 0.00 N ATOM 1120 CA LYS A 71 -7.634 12.273 -9.183 1.00 0.00 C ATOM 1121 C LYS A 71 -7.648 10.831 -8.695 1.00 0.00 C ATOM 1122 O LYS A 71 -6.606 10.178 -8.630 1.00 0.00 O ATOM 1123 CB LYS A 71 -8.885 12.557 -10.016 1.00 0.00 C ATOM 1124 CG LYS A 71 -9.505 13.916 -9.735 1.00 0.00 C ATOM 1125 CD LYS A 71 -10.546 14.278 -10.782 1.00 0.00 C ATOM 1126 CE LYS A 71 -11.728 13.324 -10.746 1.00 0.00 C ATOM 1127 NZ LYS A 71 -13.028 14.046 -10.825 1.00 0.00 N ATOM 0 H LYS A 71 -5.930 11.713 -10.268 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.630 12.931 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.629 12.495 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.626 11.781 -9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.967 13.910 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.725 14.677 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.894 15.297 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.090 14.257 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.652 12.621 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.694 12.738 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.744 13.533 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.916 15.006 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.333 14.104 -11.818 1.00 0.00 H new ATOM 1141 N HIS A 72 -8.831 10.338 -8.351 1.00 0.00 N ATOM 1142 CA HIS A 72 -8.971 8.972 -7.865 1.00 0.00 C ATOM 1143 C HIS A 72 -8.073 8.743 -6.655 1.00 0.00 C ATOM 1144 O HIS A 72 -7.767 7.606 -6.299 1.00 0.00 O ATOM 1145 CB HIS A 72 -8.627 7.971 -8.969 1.00 0.00 C ATOM 1146 CG HIS A 72 -8.577 8.580 -10.336 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -7.440 9.156 -10.863 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -9.534 8.703 -11.287 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -7.700 9.609 -12.077 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -8.962 9.347 -12.357 1.00 0.00 N ATOM 0 H HIS A 72 -9.705 10.862 -8.399 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.008 8.820 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.662 7.516 -8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.366 7.169 -8.964 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.539 9.222 -10.390 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.555 8.359 -11.217 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.999 10.109 -12.729 1.00 0.00 H new ATOM 1159 N PHE A 73 -7.653 9.838 -6.030 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.789 9.769 -4.859 1.00 0.00 C ATOM 1161 C PHE A 73 -7.502 10.335 -3.635 1.00 0.00 C ATOM 1162 O PHE A 73 -7.599 11.550 -3.468 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.489 10.536 -5.123 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.788 11.001 -3.877 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.313 10.088 -2.949 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.605 12.353 -3.637 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.670 10.516 -1.803 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -3.962 12.787 -2.494 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.494 11.867 -1.575 1.00 0.00 C ATOM 0 H PHE A 73 -7.898 10.786 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.548 8.724 -4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.812 9.898 -5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.711 11.402 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.447 9.031 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.969 13.076 -4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.305 9.795 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.825 13.844 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.992 12.204 -0.680 1.00 0.00 H new ATOM 1179 N ILE A 74 -8.002 9.447 -2.783 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.706 9.865 -1.579 1.00 0.00 C ATOM 1181 C ILE A 74 -8.035 9.313 -0.324 1.00 0.00 C ATOM 1182 O ILE A 74 -7.948 8.101 -0.136 1.00 0.00 O ATOM 1183 CB ILE A 74 -10.183 9.415 -1.609 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -11.011 10.275 -0.637 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.291 7.927 -1.288 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -12.320 9.650 -0.191 1.00 0.00 C ATOM 0 H ILE A 74 -7.933 8.437 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.667 10.954 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.588 9.560 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.406 10.486 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.225 11.232 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.338 7.624 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.730 7.354 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.882 7.738 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.833 10.328 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.950 9.465 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.118 8.707 0.318 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.562 10.208 0.536 1.00 0.00 N ATOM 1199 CA TYR A 75 -6.905 9.798 1.770 1.00 0.00 C ATOM 1200 C TYR A 75 -7.711 10.243 2.985 1.00 0.00 C ATOM 1201 O TYR A 75 -7.573 11.372 3.453 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.489 10.373 1.842 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.681 9.849 3.010 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.849 8.547 3.470 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -3.750 10.655 3.653 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.114 8.067 4.536 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -3.010 10.181 4.720 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.196 8.887 5.157 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.461 8.410 6.220 1.00 0.00 O ATOM 0 H TYR A 75 -7.621 11.217 0.402 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.843 8.710 1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.964 10.142 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.550 11.459 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.566 7.901 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.602 11.669 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.258 7.054 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.290 10.821 5.209 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.595 8.083 5.898 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.555 9.347 3.487 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.390 9.644 4.645 1.00 0.00 C ATOM 1221 C PHE A 76 -9.008 8.772 5.838 1.00 0.00 C ATOM 1222 O PHE A 76 -8.085 7.961 5.760 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.867 9.438 4.300 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.132 8.189 3.511 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.640 8.046 2.224 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.875 7.156 4.059 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -10.884 6.897 1.498 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.123 6.003 3.337 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.625 5.874 2.055 1.00 0.00 C ATOM 0 H PHE A 76 -8.679 8.408 3.109 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.227 10.687 4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.446 9.404 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.222 10.298 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.059 8.842 1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.265 7.252 5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.495 6.799 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.705 5.205 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.815 4.974 1.489 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.727 8.948 6.943 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.472 8.182 8.159 1.00 0.00 C ATOM 1241 C TYR A 77 -10.784 7.790 8.833 1.00 0.00 C ATOM 1242 O TYR A 77 -11.427 8.612 9.484 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.611 8.996 9.126 1.00 0.00 C ATOM 1244 CG TYR A 77 -8.320 8.289 10.430 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -9.293 8.178 11.416 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -7.071 7.732 10.676 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -9.027 7.535 12.610 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -6.799 7.088 11.867 1.00 0.00 C ATOM 1249 CZ TYR A 77 -7.780 6.992 12.830 1.00 0.00 C ATOM 1250 OH TYR A 77 -7.511 6.352 14.018 1.00 0.00 O ATOM 0 H TYR A 77 -10.493 9.617 7.021 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.936 7.273 7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.667 9.241 8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.114 9.939 9.340 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.272 8.601 11.247 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.300 7.804 9.923 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.793 7.458 13.367 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.822 6.662 12.043 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.587 6.026 14.012 1.00 0.00 H new ATOM 1260 N LEU A 78 -11.180 6.531 8.667 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.419 6.038 9.256 1.00 0.00 C ATOM 1262 C LEU A 78 -12.402 6.174 10.776 1.00 0.00 C ATOM 1263 O LEU A 78 -11.384 6.534 11.365 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.655 4.577 8.863 1.00 0.00 C ATOM 1265 CG LEU A 78 -13.036 4.337 7.395 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.522 4.584 7.180 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -12.210 5.215 6.464 1.00 0.00 C ATOM 0 H LEU A 78 -10.661 5.836 8.130 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.236 6.647 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.750 4.010 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.445 4.173 9.495 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.819 3.295 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.772 4.409 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.098 3.906 7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.761 5.614 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.501 5.024 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.385 6.264 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.152 4.986 6.591 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.541 5.886 11.398 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.652 5.982 12.842 1.00 0.00 C ATOM 1281 C GLY A 79 -12.332 5.758 13.552 1.00 0.00 C ATOM 1282 O GLY A 79 -11.982 6.497 14.471 1.00 0.00 O ATOM 0 H GLY A 79 -14.393 5.586 10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.039 6.966 13.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.377 5.249 13.195 1.00 0.00 H new ATOM 1286 N GLN A 80 -11.596 4.735 13.129 1.00 0.00 N ATOM 1287 CA GLN A 80 -10.308 4.421 13.738 1.00 0.00 C ATOM 1288 C GLN A 80 -9.347 3.821 12.718 1.00 0.00 C ATOM 1289 O GLN A 80 -8.437 3.072 13.073 1.00 0.00 O ATOM 1290 CB GLN A 80 -10.495 3.454 14.907 1.00 0.00 C ATOM 1291 CG GLN A 80 -9.759 3.878 16.167 1.00 0.00 C ATOM 1292 CD GLN A 80 -10.682 4.490 17.201 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -11.007 3.864 18.210 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -11.112 5.722 16.954 1.00 0.00 N ATOM 0 H GLN A 80 -11.868 4.111 12.369 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.878 5.352 14.107 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.559 3.366 15.129 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.149 2.464 14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.258 3.012 16.600 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.983 4.598 15.906 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.817 6.204 16.105 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.737 6.186 17.613 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.552 4.156 11.449 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.700 3.651 10.381 1.00 0.00 C ATOM 1305 C VAL A 81 -8.408 4.740 9.354 1.00 0.00 C ATOM 1306 O VAL A 81 -9.033 5.801 9.367 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.340 2.440 9.675 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.513 2.021 8.469 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.496 1.282 10.650 1.00 0.00 C ATOM 0 H VAL A 81 -10.300 4.775 11.136 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.765 3.333 10.842 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.330 2.729 9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.983 1.165 7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.454 2.849 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.509 1.749 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.949 0.433 10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.517 0.994 11.032 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.134 1.588 11.479 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.454 4.473 8.468 1.00 0.00 N ATOM 1320 CA ALA A 82 -7.078 5.429 7.436 1.00 0.00 C ATOM 1321 C ALA A 82 -6.897 4.733 6.095 1.00 0.00 C ATOM 1322 O ALA A 82 -6.142 3.769 5.982 1.00 0.00 O ATOM 1323 CB ALA A 82 -5.800 6.157 7.829 1.00 0.00 C ATOM 0 H ALA A 82 -6.927 3.600 8.445 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.882 6.159 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.531 6.868 7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.959 6.690 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.994 5.434 7.955 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.596 5.222 5.080 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.509 4.637 3.750 1.00 0.00 C ATOM 1331 C ILE A 83 -6.856 5.605 2.769 1.00 0.00 C ATOM 1332 O ILE A 83 -7.349 6.712 2.548 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.898 4.226 3.222 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.896 4.108 4.376 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.804 2.910 2.468 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.585 2.972 5.327 1.00 0.00 C ATOM 0 H ILE A 83 -8.228 6.020 5.152 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.891 3.743 3.834 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.252 4.997 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.908 5.045 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.897 3.967 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.791 2.630 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.121 3.021 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.432 2.133 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.332 2.947 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.601 2.027 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.598 3.123 5.763 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.737 5.179 2.191 1.00 0.00 N ATOM 1349 CA LEU A 84 -4.998 6.002 1.239 1.00 0.00 C ATOM 1350 C LEU A 84 -5.287 5.577 -0.198 1.00 0.00 C ATOM 1351 O LEU A 84 -4.502 4.857 -0.814 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.497 5.908 1.525 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.589 6.501 0.448 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.660 8.017 0.472 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.155 6.030 0.642 1.00 0.00 C ATOM 0 H LEU A 84 -5.321 4.265 2.366 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.324 7.036 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.291 6.413 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.235 4.859 1.661 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.935 6.155 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.008 8.424 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.686 8.336 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.338 8.381 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.522 6.462 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.797 6.348 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.117 4.943 0.577 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.420 6.031 -0.726 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.822 5.706 -2.091 1.00 0.00 C ATOM 1369 C LEU A 85 -6.214 6.686 -3.090 1.00 0.00 C ATOM 1370 O LEU A 85 -6.187 7.894 -2.850 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.346 5.729 -2.212 1.00 0.00 C ATOM 1372 CG LEU A 85 -8.974 4.451 -2.770 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -9.308 3.491 -1.642 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.219 4.778 -3.579 1.00 0.00 C ATOM 0 H LEU A 85 -7.079 6.628 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.455 4.706 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.770 5.923 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.631 6.564 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.253 3.971 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.754 2.586 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.397 3.233 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.013 3.964 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.652 3.857 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.946 5.280 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.952 5.432 -4.409 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.734 6.163 -4.214 1.00 0.00 N ATOM 1387 CA PHE A 86 -5.135 7.007 -5.248 1.00 0.00 C ATOM 1388 C PHE A 86 -4.786 6.199 -6.502 1.00 0.00 C ATOM 1389 O PHE A 86 -4.105 5.178 -6.423 1.00 0.00 O ATOM 1390 CB PHE A 86 -3.887 7.716 -4.695 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.588 7.031 -5.023 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -1.953 7.268 -6.231 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -2.006 6.150 -4.126 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -0.762 6.641 -6.539 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.812 5.520 -4.429 1.00 0.00 C ATOM 1396 CZ PHE A 86 -0.190 5.766 -5.637 1.00 0.00 C ATOM 0 H PHE A 86 -5.747 5.167 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.870 7.758 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.857 8.732 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.979 7.795 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.395 7.952 -6.941 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.489 5.953 -3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.278 6.835 -7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.367 4.836 -3.721 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.742 5.275 -5.876 1.00 0.00 H new ATOM 1406 N LYS A 87 -5.251 6.675 -7.656 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.982 6.006 -8.928 1.00 0.00 C ATOM 1408 C LYS A 87 -3.701 6.534 -9.560 1.00 0.00 C ATOM 1409 O LYS A 87 -2.941 7.270 -8.928 1.00 0.00 O ATOM 1410 CB LYS A 87 -6.155 6.207 -9.889 1.00 0.00 C ATOM 1411 CG LYS A 87 -6.808 4.912 -10.334 1.00 0.00 C ATOM 1412 CD LYS A 87 -8.114 5.178 -11.063 1.00 0.00 C ATOM 1413 CE LYS A 87 -7.882 5.453 -12.540 1.00 0.00 C ATOM 1414 NZ LYS A 87 -6.645 6.247 -12.772 1.00 0.00 N ATOM 0 H LYS A 87 -5.815 7.521 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.857 4.941 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.905 6.835 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.804 6.748 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.129 4.365 -10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.995 4.279 -9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.776 4.319 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.619 6.030 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.812 4.508 -13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.739 5.989 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.587 6.513 -13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.669 7.106 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.814 5.677 -12.516 1.00 0.00 H new ATOM 1428 N SER A 88 -3.466 6.156 -10.811 1.00 0.00 N ATOM 1429 CA SER A 88 -2.276 6.591 -11.532 1.00 0.00 C ATOM 1430 C SER A 88 -2.655 7.309 -12.815 1.00 0.00 C ATOM 1431 O SER A 88 -1.850 7.440 -13.736 1.00 0.00 O ATOM 1432 CB SER A 88 -1.385 5.395 -11.851 1.00 0.00 C ATOM 1433 OG SER A 88 -0.152 5.473 -11.158 1.00 0.00 O ATOM 0 H SER A 88 -4.085 5.548 -11.348 1.00 0.00 H new ATOM 0 HA SER A 88 -1.728 7.285 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.899 4.473 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.199 5.353 -12.924 1.00 0.00 H new ATOM 0 HG SER A 88 0.502 5.954 -11.707 1.00 0.00 H new ATOM 1439 N GLY A 89 -3.893 7.770 -12.859 1.00 0.00 N ATOM 1440 CA GLY A 89 -4.387 8.476 -14.026 1.00 0.00 C ATOM 1441 C GLY A 89 -4.700 7.543 -15.179 1.00 0.00 C ATOM 1442 O GLY A 89 -5.887 7.440 -15.555 1.00 0.00 O ATOM 1443 OXT GLY A 89 -3.758 6.913 -15.707 1.00 0.00 O ATOM 0 H GLY A 89 -4.571 7.668 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.286 9.031 -13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.645 9.207 -14.346 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 21.392 -5.558 8.884 1.00 0.00 N ATOM 1449 CA MET B 1 22.848 -5.788 9.074 1.00 0.00 C ATOM 1450 C MET B 1 23.651 -4.534 8.741 1.00 0.00 C ATOM 1451 O MET B 1 23.624 -4.051 7.609 1.00 0.00 O ATOM 1452 CB MET B 1 23.279 -6.947 8.174 1.00 0.00 C ATOM 1453 CG MET B 1 23.777 -8.160 8.941 1.00 0.00 C ATOM 1454 SD MET B 1 22.441 -9.265 9.435 1.00 0.00 S ATOM 1455 CE MET B 1 21.652 -9.572 7.857 1.00 0.00 C ATOM 0 H1 MET B 1 20.870 -5.948 9.695 1.00 0.00 H new ATOM 0 H2 MET B 1 21.208 -4.537 8.812 1.00 0.00 H new ATOM 0 H3 MET B 1 21.077 -6.028 8.012 1.00 0.00 H new ATOM 0 HA MET B 1 23.040 -6.033 10.119 1.00 0.00 H new ATOM 0 HB2 MET B 1 22.437 -7.243 7.549 1.00 0.00 H new ATOM 0 HB3 MET B 1 24.067 -6.602 7.504 1.00 0.00 H new ATOM 0 HG2 MET B 1 24.488 -8.709 8.323 1.00 0.00 H new ATOM 0 HG3 MET B 1 24.316 -7.828 9.828 1.00 0.00 H new ATOM 0 HE1 MET B 1 21.218 -10.572 7.855 1.00 0.00 H new ATOM 0 HE2 MET B 1 20.865 -8.835 7.694 1.00 0.00 H new ATOM 0 HE3 MET B 1 22.391 -9.496 7.060 1.00 0.00 H new ATOM 1467 N CYS B 2 24.362 -4.012 9.734 1.00 0.00 N ATOM 1468 CA CYS B 2 25.172 -2.813 9.545 1.00 0.00 C ATOM 1469 C CYS B 2 24.286 -1.585 9.359 1.00 0.00 C ATOM 1470 O CYS B 2 24.102 -0.794 10.284 1.00 0.00 O ATOM 1471 CB CYS B 2 26.095 -2.979 8.337 1.00 0.00 C ATOM 1472 SG CYS B 2 26.365 -1.456 7.398 1.00 0.00 S ATOM 0 H CYS B 2 24.394 -4.399 10.677 1.00 0.00 H new ATOM 0 HA CYS B 2 25.780 -2.670 10.438 1.00 0.00 H new ATOM 0 HB2 CYS B 2 27.058 -3.358 8.679 1.00 0.00 H new ATOM 0 HB3 CYS B 2 25.674 -3.733 7.672 1.00 0.00 H new ATOM 0 HG CYS B 2 27.160 -1.698 6.398 1.00 0.00 H new ATOM 1478 N ASP B 3 23.738 -1.435 8.159 1.00 0.00 N ATOM 1479 CA ASP B 3 22.869 -0.306 7.851 1.00 0.00 C ATOM 1480 C ASP B 3 21.686 -0.748 6.999 1.00 0.00 C ATOM 1481 O ASP B 3 21.234 -0.019 6.117 1.00 0.00 O ATOM 1482 CB ASP B 3 23.655 0.789 7.126 1.00 0.00 C ATOM 1483 CG ASP B 3 23.785 2.049 7.958 1.00 0.00 C ATOM 1484 OD1 ASP B 3 23.572 1.974 9.187 1.00 0.00 O ATOM 1485 OD2 ASP B 3 24.100 3.112 7.382 1.00 0.00 O ATOM 0 H ASP B 3 23.880 -2.082 7.383 1.00 0.00 H new ATOM 0 HA ASP B 3 22.488 0.093 8.791 1.00 0.00 H new ATOM 0 HB2 ASP B 3 24.649 0.416 6.877 1.00 0.00 H new ATOM 0 HB3 ASP B 3 23.159 1.027 6.185 1.00 0.00 H new ATOM 1490 N ARG B 4 21.185 -1.948 7.272 1.00 0.00 N ATOM 1491 CA ARG B 4 20.051 -2.489 6.534 1.00 0.00 C ATOM 1492 C ARG B 4 18.782 -2.424 7.374 1.00 0.00 C ATOM 1493 O ARG B 4 18.045 -1.440 7.329 1.00 0.00 O ATOM 1494 CB ARG B 4 20.326 -3.933 6.117 1.00 0.00 C ATOM 1495 CG ARG B 4 21.670 -4.121 5.432 1.00 0.00 C ATOM 1496 CD ARG B 4 21.501 -4.499 3.970 1.00 0.00 C ATOM 1497 NE ARG B 4 21.718 -5.924 3.745 1.00 0.00 N ATOM 1498 CZ ARG B 4 22.821 -6.423 3.199 1.00 0.00 C ATOM 1499 NH1 ARG B 4 23.803 -5.614 2.826 1.00 0.00 N ATOM 1500 NH2 ARG B 4 22.943 -7.732 3.026 1.00 0.00 N ATOM 0 H ARG B 4 21.547 -2.564 8.000 1.00 0.00 H new ATOM 0 HA ARG B 4 19.908 -1.883 5.639 1.00 0.00 H new ATOM 0 HB2 ARG B 4 20.284 -4.572 6.999 1.00 0.00 H new ATOM 0 HB3 ARG B 4 19.535 -4.266 5.445 1.00 0.00 H new ATOM 0 HG2 ARG B 4 22.250 -3.201 5.506 1.00 0.00 H new ATOM 0 HG3 ARG B 4 22.237 -4.897 5.947 1.00 0.00 H new ATOM 0 HD2 ARG B 4 20.498 -4.228 3.639 1.00 0.00 H new ATOM 0 HD3 ARG B 4 22.202 -3.925 3.364 1.00 0.00 H new ATOM 0 HE ARG B 4 20.982 -6.573 4.022 1.00 0.00 H new ATOM 0 HH11 ARG B 4 23.712 -4.607 2.958 1.00 0.00 H new ATOM 0 HH12 ARG B 4 24.649 -5.999 2.407 1.00 0.00 H new ATOM 0 HH21 ARG B 4 22.189 -8.357 3.312 1.00 0.00 H new ATOM 0 HH22 ARG B 4 23.791 -8.114 2.607 1.00 0.00 H new ATOM 1514 N LYS B 5 18.535 -3.479 8.144 1.00 0.00 N ATOM 1515 CA LYS B 5 17.355 -3.536 8.996 1.00 0.00 C ATOM 1516 C LYS B 5 16.110 -3.844 8.173 1.00 0.00 C ATOM 1517 O LYS B 5 16.188 -4.489 7.128 1.00 0.00 O ATOM 1518 CB LYS B 5 17.183 -2.210 9.740 1.00 0.00 C ATOM 1519 CG LYS B 5 16.429 -2.342 11.053 1.00 0.00 C ATOM 1520 CD LYS B 5 16.819 -1.243 12.030 1.00 0.00 C ATOM 1521 CE LYS B 5 16.407 -1.590 13.451 1.00 0.00 C ATOM 1522 NZ LYS B 5 17.167 -0.801 14.458 1.00 0.00 N ATOM 0 H LYS B 5 19.134 -4.303 8.195 1.00 0.00 H new ATOM 0 HA LYS B 5 17.491 -4.337 9.723 1.00 0.00 H new ATOM 0 HB2 LYS B 5 18.167 -1.783 9.937 1.00 0.00 H new ATOM 0 HB3 LYS B 5 16.654 -1.508 9.096 1.00 0.00 H new ATOM 0 HG2 LYS B 5 15.356 -2.299 10.864 1.00 0.00 H new ATOM 0 HG3 LYS B 5 16.636 -3.316 11.497 1.00 0.00 H new ATOM 0 HD2 LYS B 5 17.897 -1.085 11.991 1.00 0.00 H new ATOM 0 HD3 LYS B 5 16.349 -0.306 11.732 1.00 0.00 H new ATOM 0 HE2 LYS B 5 15.340 -1.405 13.575 1.00 0.00 H new ATOM 0 HE3 LYS B 5 16.568 -2.654 13.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 16.856 -1.067 15.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 18.183 -0.997 14.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 16.993 0.213 14.308 1.00 0.00 H new ATOM 1536 N ALA B 6 14.964 -3.380 8.652 1.00 0.00 N ATOM 1537 CA ALA B 6 13.700 -3.606 7.962 1.00 0.00 C ATOM 1538 C ALA B 6 13.491 -5.085 7.667 1.00 0.00 C ATOM 1539 O ALA B 6 14.362 -5.913 7.930 1.00 0.00 O ATOM 1540 CB ALA B 6 13.650 -2.800 6.674 1.00 0.00 C ATOM 0 H ALA B 6 14.883 -2.844 9.516 1.00 0.00 H new ATOM 0 HA ALA B 6 12.895 -3.275 8.618 1.00 0.00 H new ATOM 0 HB1 ALA B 6 12.700 -2.979 6.170 1.00 0.00 H new ATOM 0 HB2 ALA B 6 13.744 -1.739 6.905 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.470 -3.104 6.023 1.00 0.00 H new ATOM 1546 N VAL B 7 12.328 -5.407 7.116 1.00 0.00 N ATOM 1547 CA VAL B 7 11.997 -6.784 6.781 1.00 0.00 C ATOM 1548 C VAL B 7 11.103 -6.839 5.551 1.00 0.00 C ATOM 1549 O VAL B 7 9.916 -7.149 5.647 1.00 0.00 O ATOM 1550 CB VAL B 7 11.292 -7.494 7.952 1.00 0.00 C ATOM 1551 CG1 VAL B 7 10.963 -8.932 7.584 1.00 0.00 C ATOM 1552 CG2 VAL B 7 12.151 -7.441 9.205 1.00 0.00 C ATOM 0 H VAL B 7 11.598 -4.731 6.892 1.00 0.00 H new ATOM 0 HA VAL B 7 12.935 -7.299 6.572 1.00 0.00 H new ATOM 0 HB VAL B 7 10.357 -6.972 8.158 1.00 0.00 H new ATOM 0 HG11 VAL B 7 10.465 -9.418 8.423 1.00 0.00 H new ATOM 0 HG12 VAL B 7 10.304 -8.944 6.716 1.00 0.00 H new ATOM 0 HG13 VAL B 7 11.883 -9.467 7.349 1.00 0.00 H new ATOM 0 HG21 VAL B 7 11.636 -7.948 10.021 1.00 0.00 H new ATOM 0 HG22 VAL B 7 13.103 -7.936 9.014 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.331 -6.401 9.479 1.00 0.00 H new ATOM 1562 N ILE B 8 11.679 -6.534 4.394 1.00 0.00 N ATOM 1563 CA ILE B 8 10.931 -6.549 3.145 1.00 0.00 C ATOM 1564 C ILE B 8 9.887 -7.662 3.160 1.00 0.00 C ATOM 1565 O ILE B 8 10.142 -8.765 3.641 1.00 0.00 O ATOM 1566 CB ILE B 8 11.878 -6.709 1.925 1.00 0.00 C ATOM 1567 CG1 ILE B 8 12.343 -5.334 1.442 1.00 0.00 C ATOM 1568 CG2 ILE B 8 11.209 -7.466 0.781 1.00 0.00 C ATOM 1569 CD1 ILE B 8 13.563 -4.816 2.173 1.00 0.00 C ATOM 0 H ILE B 8 12.660 -6.274 4.296 1.00 0.00 H new ATOM 0 HA ILE B 8 10.419 -5.591 3.050 1.00 0.00 H new ATOM 0 HB ILE B 8 12.739 -7.294 2.248 1.00 0.00 H new ATOM 0 HG12 ILE B 8 12.564 -5.388 0.376 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.528 -4.621 1.562 1.00 0.00 H new ATOM 0 HG21 ILE B 8 11.906 -7.556 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE B 8 10.921 -8.460 1.122 1.00 0.00 H new ATOM 0 HG23 ILE B 8 10.322 -6.923 0.455 1.00 0.00 H new ATOM 0 HD11 ILE B 8 13.836 -3.837 1.778 1.00 0.00 H new ATOM 0 HD12 ILE B 8 13.340 -4.729 3.236 1.00 0.00 H new ATOM 0 HD13 ILE B 8 14.393 -5.508 2.032 1.00 0.00 H new ATOM 1581 N LYS B 9 8.714 -7.361 2.620 1.00 0.00 N ATOM 1582 CA LYS B 9 7.628 -8.329 2.558 1.00 0.00 C ATOM 1583 C LYS B 9 7.309 -8.669 1.110 1.00 0.00 C ATOM 1584 O LYS B 9 6.802 -9.749 0.806 1.00 0.00 O ATOM 1585 CB LYS B 9 6.382 -7.782 3.256 1.00 0.00 C ATOM 1586 CG LYS B 9 6.592 -7.492 4.734 1.00 0.00 C ATOM 1587 CD LYS B 9 6.559 -8.767 5.561 1.00 0.00 C ATOM 1588 CE LYS B 9 7.733 -8.837 6.524 1.00 0.00 C ATOM 1589 NZ LYS B 9 7.395 -8.262 7.855 1.00 0.00 N ATOM 0 H LYS B 9 8.490 -6.451 2.217 1.00 0.00 H new ATOM 0 HA LYS B 9 7.944 -9.236 3.072 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.067 -6.866 2.755 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.569 -8.500 3.147 1.00 0.00 H new ATOM 0 HG2 LYS B 9 7.549 -6.990 4.875 1.00 0.00 H new ATOM 0 HG3 LYS B 9 5.819 -6.809 5.085 1.00 0.00 H new ATOM 0 HD2 LYS B 9 5.625 -8.815 6.121 1.00 0.00 H new ATOM 0 HD3 LYS B 9 6.578 -9.632 4.898 1.00 0.00 H new ATOM 0 HE2 LYS B 9 8.042 -9.875 6.645 1.00 0.00 H new ATOM 0 HE3 LYS B 9 8.582 -8.299 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.222 -8.329 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.125 -7.264 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 6.602 -8.791 8.270 1.00 0.00 H new ATOM 1603 N ASN B 10 7.621 -7.734 0.222 1.00 0.00 N ATOM 1604 CA ASN B 10 7.384 -7.919 -1.204 1.00 0.00 C ATOM 1605 C ASN B 10 8.539 -7.340 -2.007 1.00 0.00 C ATOM 1606 O ASN B 10 9.507 -8.036 -2.319 1.00 0.00 O ATOM 1607 CB ASN B 10 6.076 -7.245 -1.613 1.00 0.00 C ATOM 1608 CG ASN B 10 4.930 -7.589 -0.682 1.00 0.00 C ATOM 1609 OD1 ASN B 10 4.779 -8.736 -0.262 1.00 0.00 O ATOM 1610 ND2 ASN B 10 4.114 -6.593 -0.354 1.00 0.00 N ATOM 0 H ASN B 10 8.040 -6.837 0.465 1.00 0.00 H new ATOM 0 HA ASN B 10 7.310 -8.987 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN B 10 6.217 -6.164 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN B 10 5.818 -7.546 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN B 10 3.325 -6.764 0.269 1.00 0.00 H new ATOM 0 HD22 ASN B 10 4.277 -5.657 -0.725 1.00 0.00 H new ATOM 1617 N ALA B 11 8.439 -6.056 -2.320 1.00 0.00 N ATOM 1618 CA ALA B 11 9.479 -5.367 -3.067 1.00 0.00 C ATOM 1619 C ALA B 11 9.665 -5.951 -4.463 1.00 0.00 C ATOM 1620 O ALA B 11 10.238 -7.028 -4.627 1.00 0.00 O ATOM 1621 CB ALA B 11 10.789 -5.421 -2.299 1.00 0.00 C ATOM 0 H ALA B 11 7.644 -5.469 -2.066 1.00 0.00 H new ATOM 0 HA ALA B 11 9.166 -4.330 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.564 -4.903 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA B 11 10.663 -4.938 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.081 -6.461 -2.151 1.00 0.00 H new ATOM 1627 N ASP B 12 9.198 -5.217 -5.466 1.00 0.00 N ATOM 1628 CA ASP B 12 9.330 -5.641 -6.852 1.00 0.00 C ATOM 1629 C ASP B 12 10.342 -4.755 -7.564 1.00 0.00 C ATOM 1630 O ASP B 12 10.309 -4.599 -8.784 1.00 0.00 O ATOM 1631 CB ASP B 12 7.980 -5.578 -7.569 1.00 0.00 C ATOM 1632 CG ASP B 12 7.141 -6.818 -7.332 1.00 0.00 C ATOM 1633 OD1 ASP B 12 7.716 -7.859 -6.948 1.00 0.00 O ATOM 1634 OD2 ASP B 12 5.910 -6.749 -7.528 1.00 0.00 O ATOM 0 H ASP B 12 8.723 -4.323 -5.343 1.00 0.00 H new ATOM 0 HA ASP B 12 9.678 -6.674 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.431 -4.701 -7.227 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.146 -5.454 -8.639 1.00 0.00 H new ATOM 1639 N MET B 13 11.234 -4.171 -6.775 1.00 0.00 N ATOM 1640 CA MET B 13 12.264 -3.282 -7.294 1.00 0.00 C ATOM 1641 C MET B 13 13.637 -3.946 -7.244 1.00 0.00 C ATOM 1642 O MET B 13 13.789 -5.038 -6.697 1.00 0.00 O ATOM 1643 CB MET B 13 12.277 -1.981 -6.486 1.00 0.00 C ATOM 1644 CG MET B 13 13.532 -1.147 -6.680 1.00 0.00 C ATOM 1645 SD MET B 13 13.252 0.610 -6.393 1.00 0.00 S ATOM 1646 CE MET B 13 12.653 0.589 -4.704 1.00 0.00 C ATOM 0 H MET B 13 11.264 -4.299 -5.764 1.00 0.00 H new ATOM 0 HA MET B 13 12.036 -3.059 -8.336 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.409 -1.383 -6.765 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.172 -2.221 -5.428 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.308 -1.502 -6.002 1.00 0.00 H new ATOM 0 HG3 MET B 13 13.905 -1.290 -7.694 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.091 1.421 -4.152 1.00 0.00 H new ATOM 0 HE2 MET B 13 11.567 0.684 -4.702 1.00 0.00 H new ATOM 0 HE3 MET B 13 12.936 -0.351 -4.229 1.00 0.00 H new ATOM 1656 N SER B 14 14.634 -3.281 -7.819 1.00 0.00 N ATOM 1657 CA SER B 14 15.994 -3.805 -7.839 1.00 0.00 C ATOM 1658 C SER B 14 16.471 -4.132 -6.427 1.00 0.00 C ATOM 1659 O SER B 14 16.394 -3.296 -5.528 1.00 0.00 O ATOM 1660 CB SER B 14 16.942 -2.794 -8.486 1.00 0.00 C ATOM 1661 OG SER B 14 17.626 -3.366 -9.587 1.00 0.00 O ATOM 0 H SER B 14 14.525 -2.377 -8.278 1.00 0.00 H new ATOM 0 HA SER B 14 15.995 -4.723 -8.427 1.00 0.00 H new ATOM 0 HB2 SER B 14 16.377 -1.923 -8.818 1.00 0.00 H new ATOM 0 HB3 SER B 14 17.664 -2.444 -7.748 1.00 0.00 H new ATOM 0 HG SER B 14 18.224 -2.698 -9.983 1.00 0.00 H new ATOM 1667 N GLU B 15 16.963 -5.353 -6.240 1.00 0.00 N ATOM 1668 CA GLU B 15 17.451 -5.787 -4.936 1.00 0.00 C ATOM 1669 C GLU B 15 18.217 -4.666 -4.242 1.00 0.00 C ATOM 1670 O GLU B 15 17.795 -4.168 -3.198 1.00 0.00 O ATOM 1671 CB GLU B 15 18.343 -7.022 -5.083 1.00 0.00 C ATOM 1672 CG GLU B 15 17.564 -8.321 -5.216 1.00 0.00 C ATOM 1673 CD GLU B 15 17.642 -9.178 -3.967 1.00 0.00 C ATOM 1674 OE1 GLU B 15 17.012 -8.809 -2.954 1.00 0.00 O ATOM 1675 OE2 GLU B 15 18.331 -10.220 -4.003 1.00 0.00 O ATOM 0 H GLU B 15 17.034 -6.058 -6.974 1.00 0.00 H new ATOM 0 HA GLU B 15 16.589 -6.046 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU B 15 18.980 -6.898 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.002 -7.090 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.520 -8.094 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU B 15 17.949 -8.886 -6.065 1.00 0.00 H new ATOM 1682 N GLU B 16 19.341 -4.266 -4.830 1.00 0.00 N ATOM 1683 CA GLU B 16 20.156 -3.197 -4.265 1.00 0.00 C ATOM 1684 C GLU B 16 19.297 -1.978 -3.952 1.00 0.00 C ATOM 1685 O GLU B 16 19.615 -1.195 -3.057 1.00 0.00 O ATOM 1686 CB GLU B 16 21.276 -2.810 -5.230 1.00 0.00 C ATOM 1687 CG GLU B 16 22.106 -3.990 -5.704 1.00 0.00 C ATOM 1688 CD GLU B 16 22.352 -3.966 -7.198 1.00 0.00 C ATOM 1689 OE1 GLU B 16 22.119 -2.909 -7.821 1.00 0.00 O ATOM 1690 OE2 GLU B 16 22.776 -5.006 -7.747 1.00 0.00 O ATOM 0 H GLU B 16 19.707 -4.665 -5.695 1.00 0.00 H new ATOM 0 HA GLU B 16 20.600 -3.562 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU B 16 20.841 -2.311 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.931 -2.088 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU B 16 23.063 -3.990 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU B 16 21.598 -4.917 -5.438 1.00 0.00 H new ATOM 1697 N MET B 17 18.205 -1.826 -4.694 1.00 0.00 N ATOM 1698 CA MET B 17 17.298 -0.703 -4.494 1.00 0.00 C ATOM 1699 C MET B 17 16.447 -0.913 -3.246 1.00 0.00 C ATOM 1700 O MET B 17 16.076 0.044 -2.567 1.00 0.00 O ATOM 1701 CB MET B 17 16.398 -0.517 -5.717 1.00 0.00 C ATOM 1702 CG MET B 17 17.104 0.124 -6.901 1.00 0.00 C ATOM 1703 SD MET B 17 16.290 1.633 -7.458 1.00 0.00 S ATOM 1704 CE MET B 17 16.362 2.626 -5.970 1.00 0.00 C ATOM 0 H MET B 17 17.927 -2.466 -5.438 1.00 0.00 H new ATOM 0 HA MET B 17 17.898 0.197 -4.359 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.006 -1.488 -6.020 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.543 0.099 -5.438 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.134 0.351 -6.626 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.144 -0.588 -7.725 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.289 3.681 -6.233 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.535 2.358 -5.313 1.00 0.00 H new ATOM 0 HE3 MET B 17 17.306 2.445 -5.457 1.00 0.00 H new ATOM 1714 N GLN B 18 16.146 -2.175 -2.944 1.00 0.00 N ATOM 1715 CA GLN B 18 15.344 -2.508 -1.770 1.00 0.00 C ATOM 1716 C GLN B 18 16.145 -2.275 -0.497 1.00 0.00 C ATOM 1717 O GLN B 18 15.607 -1.831 0.517 1.00 0.00 O ATOM 1718 CB GLN B 18 14.872 -3.962 -1.833 1.00 0.00 C ATOM 1719 CG GLN B 18 15.067 -4.606 -3.194 1.00 0.00 C ATOM 1720 CD GLN B 18 13.765 -4.766 -3.952 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.500 -5.816 -4.537 1.00 0.00 O ATOM 1722 NE2 GLN B 18 12.943 -3.723 -3.945 1.00 0.00 N ATOM 0 H GLN B 18 16.445 -2.980 -3.494 1.00 0.00 H new ATOM 0 HA GLN B 18 14.469 -1.858 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.411 -4.543 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN B 18 13.815 -4.004 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN B 18 15.755 -4.000 -3.784 1.00 0.00 H new ATOM 0 HG3 GLN B 18 15.532 -5.584 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN B 18 13.203 -2.872 -3.447 1.00 0.00 H new ATOM 0 HE22 GLN B 18 12.051 -3.773 -4.438 1.00 0.00 H new ATOM 1731 N GLN B 19 17.441 -2.561 -0.565 1.00 0.00 N ATOM 1732 CA GLN B 19 18.324 -2.364 0.574 1.00 0.00 C ATOM 1733 C GLN B 19 18.601 -0.879 0.743 1.00 0.00 C ATOM 1734 O GLN B 19 18.705 -0.373 1.861 1.00 0.00 O ATOM 1735 CB GLN B 19 19.632 -3.130 0.379 1.00 0.00 C ATOM 1736 CG GLN B 19 19.478 -4.636 0.503 1.00 0.00 C ATOM 1737 CD GLN B 19 20.810 -5.359 0.551 1.00 0.00 C ATOM 1738 OE1 GLN B 19 20.933 -6.489 0.080 1.00 0.00 O ATOM 1739 NE2 GLN B 19 21.816 -4.708 1.123 1.00 0.00 N ATOM 0 H GLN B 19 17.901 -2.930 -1.397 1.00 0.00 H new ATOM 0 HA GLN B 19 17.840 -2.746 1.472 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.038 -2.894 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.358 -2.785 1.115 1.00 0.00 H new ATOM 0 HG2 GLN B 19 18.912 -4.866 1.406 1.00 0.00 H new ATOM 0 HG3 GLN B 19 18.897 -5.008 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN B 19 21.669 -3.772 1.500 1.00 0.00 H new ATOM 0 HE22 GLN B 19 22.736 -5.144 1.185 1.00 0.00 H new ATOM 1748 N ASP B 20 18.694 -0.184 -0.385 1.00 0.00 N ATOM 1749 CA ASP B 20 18.931 1.248 -0.378 1.00 0.00 C ATOM 1750 C ASP B 20 17.656 1.975 0.025 1.00 0.00 C ATOM 1751 O ASP B 20 17.697 2.996 0.711 1.00 0.00 O ATOM 1752 CB ASP B 20 19.396 1.725 -1.755 1.00 0.00 C ATOM 1753 CG ASP B 20 20.779 2.344 -1.716 1.00 0.00 C ATOM 1754 OD1 ASP B 20 21.138 2.929 -0.672 1.00 0.00 O ATOM 1755 OD2 ASP B 20 21.504 2.244 -2.728 1.00 0.00 O ATOM 0 H ASP B 20 18.608 -0.593 -1.315 1.00 0.00 H new ATOM 0 HA ASP B 20 19.717 1.470 0.344 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.397 0.883 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.685 2.455 -2.143 1.00 0.00 H new ATOM 1760 N SER B 21 16.520 1.423 -0.393 1.00 0.00 N ATOM 1761 CA SER B 21 15.226 2.001 -0.063 1.00 0.00 C ATOM 1762 C SER B 21 14.996 1.923 1.438 1.00 0.00 C ATOM 1763 O SER B 21 14.530 2.878 2.060 1.00 0.00 O ATOM 1764 CB SER B 21 14.108 1.271 -0.810 1.00 0.00 C ATOM 1765 OG SER B 21 12.895 1.310 -0.077 1.00 0.00 O ATOM 0 H SER B 21 16.472 0.577 -0.960 1.00 0.00 H new ATOM 0 HA SER B 21 15.218 3.047 -0.370 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.960 1.729 -1.788 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.399 0.235 -0.984 1.00 0.00 H new ATOM 0 HG SER B 21 12.849 0.535 0.520 1.00 0.00 H new ATOM 1771 N VAL B 22 15.348 0.780 2.017 1.00 0.00 N ATOM 1772 CA VAL B 22 15.204 0.573 3.449 1.00 0.00 C ATOM 1773 C VAL B 22 16.045 1.584 4.217 1.00 0.00 C ATOM 1774 O VAL B 22 15.556 2.253 5.128 1.00 0.00 O ATOM 1775 CB VAL B 22 15.634 -0.845 3.860 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.581 -0.998 5.370 1.00 0.00 C ATOM 1777 CG2 VAL B 22 14.763 -1.889 3.177 1.00 0.00 C ATOM 0 H VAL B 22 15.736 -0.018 1.513 1.00 0.00 H new ATOM 0 HA VAL B 22 14.149 0.704 3.691 1.00 0.00 H new ATOM 0 HB VAL B 22 16.663 -1.002 3.537 1.00 0.00 H new ATOM 0 HG11 VAL B 22 15.888 -2.007 5.644 1.00 0.00 H new ATOM 0 HG12 VAL B 22 16.253 -0.276 5.833 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.563 -0.821 5.718 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.083 -2.885 3.481 1.00 0.00 H new ATOM 0 HG22 VAL B 22 13.722 -1.739 3.464 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.858 -1.791 2.096 1.00 0.00 H new ATOM 1787 N GLU B 23 17.314 1.696 3.834 1.00 0.00 N ATOM 1788 CA GLU B 23 18.225 2.632 4.477 1.00 0.00 C ATOM 1789 C GLU B 23 17.634 4.036 4.467 1.00 0.00 C ATOM 1790 O GLU B 23 17.759 4.782 5.438 1.00 0.00 O ATOM 1791 CB GLU B 23 19.582 2.624 3.770 1.00 0.00 C ATOM 1792 CG GLU B 23 20.287 1.279 3.830 1.00 0.00 C ATOM 1793 CD GLU B 23 21.798 1.412 3.849 1.00 0.00 C ATOM 1794 OE1 GLU B 23 22.293 2.554 3.945 1.00 0.00 O ATOM 1795 OE2 GLU B 23 22.486 0.373 3.766 1.00 0.00 O ATOM 0 H GLU B 23 17.733 1.149 3.081 1.00 0.00 H new ATOM 0 HA GLU B 23 18.369 2.321 5.512 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.441 2.906 2.726 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.223 3.382 4.221 1.00 0.00 H new ATOM 0 HG2 GLU B 23 19.962 0.742 4.721 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.990 0.679 2.970 1.00 0.00 H new ATOM 1802 N CYS B 24 16.977 4.385 3.363 1.00 0.00 N ATOM 1803 CA CYS B 24 16.350 5.693 3.233 1.00 0.00 C ATOM 1804 C CYS B 24 15.209 5.825 4.231 1.00 0.00 C ATOM 1805 O CYS B 24 15.016 6.879 4.842 1.00 0.00 O ATOM 1806 CB CYS B 24 15.832 5.900 1.808 1.00 0.00 C ATOM 1807 SG CYS B 24 17.124 5.877 0.543 1.00 0.00 S ATOM 0 H CYS B 24 16.867 3.780 2.549 1.00 0.00 H new ATOM 0 HA CYS B 24 17.096 6.459 3.444 1.00 0.00 H new ATOM 0 HB2 CYS B 24 15.103 5.122 1.581 1.00 0.00 H new ATOM 0 HB3 CYS B 24 15.307 6.854 1.759 1.00 0.00 H new ATOM 0 HG CYS B 24 16.594 5.612 -0.614 1.00 0.00 H new ATOM 1813 N ALA B 25 14.475 4.732 4.420 1.00 0.00 N ATOM 1814 CA ALA B 25 13.379 4.716 5.371 1.00 0.00 C ATOM 1815 C ALA B 25 13.958 4.809 6.765 1.00 0.00 C ATOM 1816 O ALA B 25 13.353 5.368 7.679 1.00 0.00 O ATOM 1817 CB ALA B 25 12.548 3.451 5.213 1.00 0.00 C ATOM 0 H ALA B 25 14.622 3.851 3.927 1.00 0.00 H new ATOM 0 HA ALA B 25 12.718 5.563 5.189 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.732 3.459 5.935 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.139 3.408 4.204 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.177 2.578 5.387 1.00 0.00 H new ATOM 1823 N THR B 26 15.162 4.270 6.894 1.00 0.00 N ATOM 1824 CA THR B 26 15.887 4.286 8.148 1.00 0.00 C ATOM 1825 C THR B 26 16.389 5.693 8.439 1.00 0.00 C ATOM 1826 O THR B 26 16.341 6.159 9.576 1.00 0.00 O ATOM 1827 CB THR B 26 17.062 3.317 8.077 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.758 2.220 7.235 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.456 2.763 9.423 1.00 0.00 C ATOM 0 H THR B 26 15.660 3.811 6.131 1.00 0.00 H new ATOM 0 HA THR B 26 15.219 3.976 8.951 1.00 0.00 H new ATOM 0 HB THR B 26 17.894 3.899 7.681 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.527 2.548 6.341 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.297 2.081 9.303 1.00 0.00 H new ATOM 0 HG22 THR B 26 17.743 3.581 10.083 1.00 0.00 H new ATOM 0 HG23 THR B 26 16.612 2.226 9.857 1.00 0.00 H new ATOM 1837 N GLN B 27 16.859 6.369 7.394 1.00 0.00 N ATOM 1838 CA GLN B 27 17.357 7.729 7.530 1.00 0.00 C ATOM 1839 C GLN B 27 16.276 8.619 8.124 1.00 0.00 C ATOM 1840 O GLN B 27 16.536 9.421 9.021 1.00 0.00 O ATOM 1841 CB GLN B 27 17.801 8.274 6.172 1.00 0.00 C ATOM 1842 CG GLN B 27 19.310 8.323 5.999 1.00 0.00 C ATOM 1843 CD GLN B 27 19.875 9.718 6.188 1.00 0.00 C ATOM 1844 OE1 GLN B 27 19.270 10.706 5.772 1.00 0.00 O ATOM 1845 NE2 GLN B 27 21.041 9.805 6.818 1.00 0.00 N ATOM 0 H GLN B 27 16.904 5.995 6.446 1.00 0.00 H new ATOM 0 HA GLN B 27 18.219 7.722 8.198 1.00 0.00 H new ATOM 0 HB2 GLN B 27 17.373 7.654 5.384 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.396 9.278 6.043 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.776 7.646 6.715 1.00 0.00 H new ATOM 0 HG3 GLN B 27 19.570 7.962 5.004 1.00 0.00 H new ATOM 0 HE21 GLN B 27 21.508 8.959 7.146 1.00 0.00 H new ATOM 0 HE22 GLN B 27 21.470 10.717 6.974 1.00 0.00 H new ATOM 1854 N ALA B 28 15.057 8.456 7.624 1.00 0.00 N ATOM 1855 CA ALA B 28 13.923 9.229 8.109 1.00 0.00 C ATOM 1856 C ALA B 28 13.495 8.738 9.488 1.00 0.00 C ATOM 1857 O ALA B 28 13.057 9.519 10.332 1.00 0.00 O ATOM 1858 CB ALA B 28 12.760 9.132 7.134 1.00 0.00 C ATOM 0 H ALA B 28 14.830 7.794 6.882 1.00 0.00 H new ATOM 0 HA ALA B 28 14.226 10.273 8.189 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.920 9.715 7.511 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.066 9.522 6.163 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.460 8.090 7.028 1.00 0.00 H new ATOM 1864 N LEU B 29 13.628 7.435 9.706 1.00 0.00 N ATOM 1865 CA LEU B 29 13.258 6.829 10.979 1.00 0.00 C ATOM 1866 C LEU B 29 14.160 7.329 12.101 1.00 0.00 C ATOM 1867 O LEU B 29 13.700 7.597 13.212 1.00 0.00 O ATOM 1868 CB LEU B 29 13.342 5.309 10.887 1.00 0.00 C ATOM 1869 CG LEU B 29 12.133 4.646 10.234 1.00 0.00 C ATOM 1870 CD1 LEU B 29 12.575 3.495 9.351 1.00 0.00 C ATOM 1871 CD2 LEU B 29 11.154 4.167 11.293 1.00 0.00 C ATOM 0 H LEU B 29 13.990 6.777 9.016 1.00 0.00 H new ATOM 0 HA LEU B 29 12.231 7.117 11.204 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.236 5.041 10.324 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.464 4.903 11.891 1.00 0.00 H new ATOM 0 HG LEU B 29 11.627 5.382 9.609 1.00 0.00 H new ATOM 0 HD11 LEU B 29 11.701 3.032 8.892 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.239 3.869 8.572 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.103 2.756 9.954 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.297 3.697 10.810 1.00 0.00 H new ATOM 0 HD22 LEU B 29 11.646 3.444 11.943 1.00 0.00 H new ATOM 0 HD23 LEU B 29 10.815 5.016 11.886 1.00 0.00 H new ATOM 1883 N GLU B 30 15.449 7.447 11.802 1.00 0.00 N ATOM 1884 CA GLU B 30 16.426 7.908 12.779 1.00 0.00 C ATOM 1885 C GLU B 30 16.485 9.432 12.819 1.00 0.00 C ATOM 1886 O GLU B 30 16.976 10.016 13.785 1.00 0.00 O ATOM 1887 CB GLU B 30 17.804 7.336 12.447 1.00 0.00 C ATOM 1888 CG GLU B 30 18.352 6.412 13.519 1.00 0.00 C ATOM 1889 CD GLU B 30 18.858 7.163 14.734 1.00 0.00 C ATOM 1890 OE1 GLU B 30 18.047 7.434 15.644 1.00 0.00 O ATOM 1891 OE2 GLU B 30 20.065 7.480 14.776 1.00 0.00 O ATOM 0 H GLU B 30 15.842 7.228 10.886 1.00 0.00 H new ATOM 0 HA GLU B 30 16.118 7.556 13.764 1.00 0.00 H new ATOM 0 HB2 GLU B 30 17.745 6.791 11.505 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.503 8.159 12.296 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.572 5.715 13.826 1.00 0.00 H new ATOM 0 HG3 GLU B 30 19.164 5.817 13.100 1.00 0.00 H new ATOM 1898 N LYS B 31 15.981 10.070 11.767 1.00 0.00 N ATOM 1899 CA LYS B 31 15.980 11.526 11.691 1.00 0.00 C ATOM 1900 C LYS B 31 14.785 12.107 12.436 1.00 0.00 C ATOM 1901 O LYS B 31 14.790 13.275 12.826 1.00 0.00 O ATOM 1902 CB LYS B 31 15.957 11.987 10.230 1.00 0.00 C ATOM 1903 CG LYS B 31 17.333 12.049 9.583 1.00 0.00 C ATOM 1904 CD LYS B 31 18.340 12.766 10.469 1.00 0.00 C ATOM 1905 CE LYS B 31 18.499 14.222 10.065 1.00 0.00 C ATOM 1906 NZ LYS B 31 19.412 14.378 8.898 1.00 0.00 N ATOM 0 H LYS B 31 15.570 9.603 10.959 1.00 0.00 H new ATOM 0 HA LYS B 31 16.894 11.888 12.163 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.326 11.309 9.655 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.496 12.974 10.177 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.684 11.038 9.378 1.00 0.00 H new ATOM 0 HG3 LYS B 31 17.261 12.563 8.624 1.00 0.00 H new ATOM 0 HD2 LYS B 31 18.017 12.709 11.509 1.00 0.00 H new ATOM 0 HD3 LYS B 31 19.305 12.262 10.407 1.00 0.00 H new ATOM 0 HE2 LYS B 31 17.522 14.640 9.820 1.00 0.00 H new ATOM 0 HE3 LYS B 31 18.887 14.793 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 19.494 15.386 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 20.351 14.003 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.029 13.855 8.085 1.00 0.00 H new ATOM 1920 N TYR B 32 13.761 11.285 12.631 1.00 0.00 N ATOM 1921 CA TYR B 32 12.558 11.718 13.328 1.00 0.00 C ATOM 1922 C TYR B 32 11.864 10.536 13.995 1.00 0.00 C ATOM 1923 O TYR B 32 11.505 10.598 15.171 1.00 0.00 O ATOM 1924 CB TYR B 32 11.599 12.403 12.352 1.00 0.00 C ATOM 1925 CG TYR B 32 12.273 12.892 11.089 1.00 0.00 C ATOM 1926 CD1 TYR B 32 12.442 12.051 9.996 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.744 14.196 10.992 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.060 12.496 8.842 1.00 0.00 C ATOM 1929 CE2 TYR B 32 13.362 14.647 9.841 1.00 0.00 C ATOM 1930 CZ TYR B 32 13.518 13.793 8.770 1.00 0.00 C ATOM 1931 OH TYR B 32 14.134 14.240 7.623 1.00 0.00 O ATOM 0 H TYR B 32 13.740 10.315 12.316 1.00 0.00 H new ATOM 0 HA TYR B 32 12.849 12.429 14.101 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.805 11.705 12.084 1.00 0.00 H new ATOM 0 HB3 TYR B 32 11.125 13.248 12.852 1.00 0.00 H new ATOM 0 HD1 TYR B 32 12.085 11.033 10.049 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.625 14.868 11.829 1.00 0.00 H new ATOM 0 HE1 TYR B 32 13.183 11.830 8.001 1.00 0.00 H new ATOM 0 HE2 TYR B 32 13.721 15.664 9.781 1.00 0.00 H new ATOM 0 HH TYR B 32 14.396 15.177 7.737 1.00 0.00 H new ATOM 1941 N ASN B 33 11.673 9.466 13.229 1.00 0.00 N ATOM 1942 CA ASN B 33 11.013 8.266 13.733 1.00 0.00 C ATOM 1943 C ASN B 33 9.498 8.410 13.657 1.00 0.00 C ATOM 1944 O ASN B 33 8.765 7.813 14.446 1.00 0.00 O ATOM 1945 CB ASN B 33 11.444 7.979 15.172 1.00 0.00 C ATOM 1946 CG ASN B 33 11.415 6.499 15.499 1.00 0.00 C ATOM 1947 OD1 ASN B 33 10.356 5.871 15.495 1.00 0.00 O ATOM 1948 ND2 ASN B 33 12.581 5.933 15.785 1.00 0.00 N ATOM 0 H ASN B 33 11.967 9.406 12.254 1.00 0.00 H new ATOM 0 HA ASN B 33 11.312 7.427 13.105 1.00 0.00 H new ATOM 0 HB2 ASN B 33 12.451 8.364 15.330 1.00 0.00 H new ATOM 0 HB3 ASN B 33 10.787 8.513 15.859 1.00 0.00 H new ATOM 0 HD21 ASN B 33 12.623 4.940 16.013 1.00 0.00 H new ATOM 0 HD22 ASN B 33 13.435 6.491 15.777 1.00 0.00 H new ATOM 1955 N ILE B 34 9.037 9.204 12.697 1.00 0.00 N ATOM 1956 CA ILE B 34 7.610 9.428 12.503 1.00 0.00 C ATOM 1957 C ILE B 34 7.135 8.789 11.202 1.00 0.00 C ATOM 1958 O ILE B 34 7.836 8.830 10.192 1.00 0.00 O ATOM 1959 CB ILE B 34 7.270 10.933 12.471 1.00 0.00 C ATOM 1960 CG1 ILE B 34 7.749 11.623 13.751 1.00 0.00 C ATOM 1961 CG2 ILE B 34 5.774 11.132 12.285 1.00 0.00 C ATOM 1962 CD1 ILE B 34 9.245 11.567 13.945 1.00 0.00 C ATOM 0 H ILE B 34 9.634 9.705 12.039 1.00 0.00 H new ATOM 0 HA ILE B 34 7.099 8.968 13.349 1.00 0.00 H new ATOM 0 HB ILE B 34 7.788 11.386 11.626 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.432 12.666 13.732 1.00 0.00 H new ATOM 0 HG13 ILE B 34 7.262 11.158 14.608 1.00 0.00 H new ATOM 0 HG21 ILE B 34 5.549 12.198 12.264 1.00 0.00 H new ATOM 0 HG22 ILE B 34 5.460 10.676 11.346 1.00 0.00 H new ATOM 0 HG23 ILE B 34 5.239 10.664 13.112 1.00 0.00 H new ATOM 0 HD11 ILE B 34 9.511 12.076 14.872 1.00 0.00 H new ATOM 0 HD12 ILE B 34 9.566 10.527 13.997 1.00 0.00 H new ATOM 0 HD13 ILE B 34 9.739 12.058 13.107 1.00 0.00 H new ATOM 1974 N GLU B 35 5.945 8.199 11.228 1.00 0.00 N ATOM 1975 CA GLU B 35 5.391 7.555 10.042 1.00 0.00 C ATOM 1976 C GLU B 35 5.375 8.523 8.863 1.00 0.00 C ATOM 1977 O GLU B 35 6.146 8.377 7.915 1.00 0.00 O ATOM 1978 CB GLU B 35 3.973 7.053 10.320 1.00 0.00 C ATOM 1979 CG GLU B 35 3.913 5.910 11.318 1.00 0.00 C ATOM 1980 CD GLU B 35 4.255 6.348 12.728 1.00 0.00 C ATOM 1981 OE1 GLU B 35 3.338 6.794 13.450 1.00 0.00 O ATOM 1982 OE2 GLU B 35 5.439 6.247 13.111 1.00 0.00 O ATOM 0 H GLU B 35 5.347 8.153 12.053 1.00 0.00 H new ATOM 0 HA GLU B 35 6.025 6.705 9.790 1.00 0.00 H new ATOM 0 HB2 GLU B 35 3.371 7.881 10.694 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.522 6.729 9.382 1.00 0.00 H new ATOM 0 HG2 GLU B 35 2.913 5.477 11.309 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.603 5.125 11.008 1.00 0.00 H new ATOM 1989 N LYS B 36 4.494 9.514 8.932 1.00 0.00 N ATOM 1990 CA LYS B 36 4.374 10.512 7.876 1.00 0.00 C ATOM 1991 C LYS B 36 5.722 11.166 7.590 1.00 0.00 C ATOM 1992 O LYS B 36 6.195 11.161 6.453 1.00 0.00 O ATOM 1993 CB LYS B 36 3.351 11.579 8.268 1.00 0.00 C ATOM 1994 CG LYS B 36 2.987 11.564 9.745 1.00 0.00 C ATOM 1995 CD LYS B 36 3.089 12.951 10.359 1.00 0.00 C ATOM 1996 CE LYS B 36 1.763 13.691 10.285 1.00 0.00 C ATOM 1997 NZ LYS B 36 1.897 15.001 9.590 1.00 0.00 N ATOM 0 H LYS B 36 3.850 9.648 9.711 1.00 0.00 H new ATOM 0 HA LYS B 36 4.035 10.008 6.971 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.747 12.561 8.010 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.446 11.436 7.678 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.972 11.185 9.867 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.649 10.880 10.277 1.00 0.00 H new ATOM 0 HD2 LYS B 36 3.403 12.867 11.399 1.00 0.00 H new ATOM 0 HD3 LYS B 36 3.857 13.525 9.840 1.00 0.00 H new ATOM 0 HE2 LYS B 36 1.032 13.075 9.761 1.00 0.00 H new ATOM 0 HE3 LYS B 36 1.380 13.852 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 0.971 15.474 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 2.575 15.599 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 2.238 14.846 8.620 1.00 0.00 H new ATOM 2011 N ASP B 37 6.335 11.730 8.625 1.00 0.00 N ATOM 2012 CA ASP B 37 7.628 12.388 8.477 1.00 0.00 C ATOM 2013 C ASP B 37 8.593 11.510 7.688 1.00 0.00 C ATOM 2014 O ASP B 37 9.066 11.894 6.618 1.00 0.00 O ATOM 2015 CB ASP B 37 8.218 12.714 9.851 1.00 0.00 C ATOM 2016 CG ASP B 37 9.085 13.957 9.828 1.00 0.00 C ATOM 2017 OD1 ASP B 37 9.142 14.624 8.774 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.709 14.265 10.866 1.00 0.00 O ATOM 0 H ASP B 37 5.959 11.745 9.573 1.00 0.00 H new ATOM 0 HA ASP B 37 7.478 13.317 7.927 1.00 0.00 H new ATOM 0 HB2 ASP B 37 7.408 12.852 10.567 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.810 11.868 10.199 1.00 0.00 H new ATOM 2023 N ILE B 38 8.876 10.323 8.221 1.00 0.00 N ATOM 2024 CA ILE B 38 9.780 9.386 7.565 1.00 0.00 C ATOM 2025 C ILE B 38 9.444 9.249 6.085 1.00 0.00 C ATOM 2026 O ILE B 38 10.268 9.551 5.222 1.00 0.00 O ATOM 2027 CB ILE B 38 9.725 7.995 8.230 1.00 0.00 C ATOM 2028 CG1 ILE B 38 10.295 8.060 9.646 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.485 6.972 7.398 1.00 0.00 C ATOM 2030 CD1 ILE B 38 9.715 7.018 10.579 1.00 0.00 C ATOM 0 H ILE B 38 8.492 9.989 9.105 1.00 0.00 H new ATOM 0 HA ILE B 38 10.788 9.787 7.669 1.00 0.00 H new ATOM 0 HB ILE B 38 8.682 7.683 8.288 1.00 0.00 H new ATOM 0 HG12 ILE B 38 11.377 7.933 9.600 1.00 0.00 H new ATOM 0 HG13 ILE B 38 10.108 9.051 10.059 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.434 5.998 7.884 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.039 6.906 6.406 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.527 7.278 7.308 1.00 0.00 H new ATOM 0 HD11 ILE B 38 10.165 7.123 11.566 1.00 0.00 H new ATOM 0 HD12 ILE B 38 8.637 7.158 10.655 1.00 0.00 H new ATOM 0 HD13 ILE B 38 9.925 6.022 10.188 1.00 0.00 H new ATOM 2042 N ALA B 39 8.229 8.798 5.796 1.00 0.00 N ATOM 2043 CA ALA B 39 7.790 8.631 4.417 1.00 0.00 C ATOM 2044 C ALA B 39 8.261 9.800 3.560 1.00 0.00 C ATOM 2045 O ALA B 39 8.792 9.609 2.466 1.00 0.00 O ATOM 2046 CB ALA B 39 6.277 8.495 4.359 1.00 0.00 C ATOM 0 H ALA B 39 7.533 8.542 6.496 1.00 0.00 H new ATOM 0 HA ALA B 39 8.233 7.719 4.018 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.962 8.371 3.323 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.967 7.626 4.939 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.815 9.391 4.774 1.00 0.00 H new ATOM 2052 N ALA B 40 8.077 11.011 4.075 1.00 0.00 N ATOM 2053 CA ALA B 40 8.493 12.216 3.369 1.00 0.00 C ATOM 2054 C ALA B 40 10.006 12.228 3.184 1.00 0.00 C ATOM 2055 O ALA B 40 10.509 12.199 2.060 1.00 0.00 O ATOM 2056 CB ALA B 40 8.045 13.451 4.136 1.00 0.00 C ATOM 0 H ALA B 40 7.641 11.184 4.981 1.00 0.00 H new ATOM 0 HA ALA B 40 8.025 12.224 2.385 1.00 0.00 H new ATOM 0 HB1 ALA B 40 8.361 14.346 3.600 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.959 13.448 4.229 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.494 13.445 5.129 1.00 0.00 H new ATOM 2062 N HIS B 41 10.723 12.261 4.301 1.00 0.00 N ATOM 2063 CA HIS B 41 12.180 12.265 4.282 1.00 0.00 C ATOM 2064 C HIS B 41 12.705 11.333 3.194 1.00 0.00 C ATOM 2065 O HIS B 41 13.648 11.667 2.477 1.00 0.00 O ATOM 2066 CB HIS B 41 12.722 11.844 5.655 1.00 0.00 C ATOM 2067 CG HIS B 41 14.127 11.317 5.629 1.00 0.00 C ATOM 2068 ND1 HIS B 41 15.143 11.849 6.395 1.00 0.00 N ATOM 2069 CD2 HIS B 41 14.682 10.298 4.928 1.00 0.00 C ATOM 2070 CE1 HIS B 41 16.261 11.184 6.165 1.00 0.00 C ATOM 2071 NE2 HIS B 41 16.007 10.238 5.280 1.00 0.00 N ATOM 0 H HIS B 41 10.316 12.285 5.236 1.00 0.00 H new ATOM 0 HA HIS B 41 12.524 13.275 4.061 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.680 12.701 6.327 1.00 0.00 H new ATOM 0 HB3 HIS B 41 12.067 11.079 6.072 1.00 0.00 H new ATOM 0 HD1 HIS B 41 15.046 12.634 7.039 1.00 0.00 H new ATOM 0 HD2 HIS B 41 14.176 9.654 4.224 1.00 0.00 H new ATOM 0 HE1 HIS B 41 17.219 11.381 6.623 1.00 0.00 H new ATOM 2080 N ILE B 42 12.086 10.163 3.078 1.00 0.00 N ATOM 2081 CA ILE B 42 12.490 9.181 2.080 1.00 0.00 C ATOM 2082 C ILE B 42 12.085 9.619 0.679 1.00 0.00 C ATOM 2083 O ILE B 42 12.932 9.963 -0.144 1.00 0.00 O ATOM 2084 CB ILE B 42 11.872 7.798 2.365 1.00 0.00 C ATOM 2085 CG1 ILE B 42 12.164 7.361 3.802 1.00 0.00 C ATOM 2086 CG2 ILE B 42 12.396 6.768 1.375 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.050 6.547 4.425 1.00 0.00 C ATOM 0 H ILE B 42 11.303 9.872 3.663 1.00 0.00 H new ATOM 0 HA ILE B 42 13.576 9.107 2.138 1.00 0.00 H new ATOM 0 HB ILE B 42 10.791 7.873 2.245 1.00 0.00 H new ATOM 0 HG12 ILE B 42 13.083 6.774 3.815 1.00 0.00 H new ATOM 0 HG13 ILE B 42 12.342 8.246 4.413 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.950 5.797 1.590 1.00 0.00 H new ATOM 0 HG22 ILE B 42 12.134 7.071 0.361 1.00 0.00 H new ATOM 0 HG23 ILE B 42 13.480 6.697 1.464 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.326 6.272 5.443 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.134 7.138 4.444 1.00 0.00 H new ATOM 0 HD13 ILE B 42 10.887 5.644 3.837 1.00 0.00 H new ATOM 2099 N LYS B 43 10.784 9.599 0.414 1.00 0.00 N ATOM 2100 CA LYS B 43 10.268 9.991 -0.890 1.00 0.00 C ATOM 2101 C LYS B 43 11.071 11.157 -1.463 1.00 0.00 C ATOM 2102 O LYS B 43 11.482 11.133 -2.625 1.00 0.00 O ATOM 2103 CB LYS B 43 8.787 10.373 -0.780 1.00 0.00 C ATOM 2104 CG LYS B 43 8.303 11.288 -1.894 1.00 0.00 C ATOM 2105 CD LYS B 43 6.786 11.338 -1.955 1.00 0.00 C ATOM 2106 CE LYS B 43 6.305 12.484 -2.831 1.00 0.00 C ATOM 2107 NZ LYS B 43 7.099 12.591 -4.084 1.00 0.00 N ATOM 0 H LYS B 43 10.069 9.316 1.084 1.00 0.00 H new ATOM 0 HA LYS B 43 10.366 9.142 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.186 9.464 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS B 43 8.618 10.863 0.179 1.00 0.00 H new ATOM 0 HG2 LYS B 43 8.695 12.293 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS B 43 8.695 10.939 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS B 43 6.404 10.394 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS B 43 6.383 11.453 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS B 43 5.254 12.336 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS B 43 6.374 13.420 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 6.528 13.055 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 7.956 13.153 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 7.370 11.640 -4.406 1.00 0.00 H new ATOM 2121 N LYS B 44 11.286 12.176 -0.639 1.00 0.00 N ATOM 2122 CA LYS B 44 12.033 13.358 -1.057 1.00 0.00 C ATOM 2123 C LYS B 44 13.468 13.003 -1.425 1.00 0.00 C ATOM 2124 O LYS B 44 13.927 13.289 -2.532 1.00 0.00 O ATOM 2125 CB LYS B 44 12.027 14.408 0.056 1.00 0.00 C ATOM 2126 CG LYS B 44 11.027 15.529 -0.171 1.00 0.00 C ATOM 2127 CD LYS B 44 11.003 16.497 1.000 1.00 0.00 C ATOM 2128 CE LYS B 44 11.329 17.914 0.559 1.00 0.00 C ATOM 2129 NZ LYS B 44 10.999 18.914 1.610 1.00 0.00 N ATOM 0 H LYS B 44 10.953 12.208 0.325 1.00 0.00 H new ATOM 0 HA LYS B 44 11.545 13.767 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS B 44 11.803 13.919 1.004 1.00 0.00 H new ATOM 0 HB3 LYS B 44 13.026 14.836 0.146 1.00 0.00 H new ATOM 0 HG2 LYS B 44 11.282 16.067 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS B 44 10.032 15.107 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS B 44 10.019 16.478 1.469 1.00 0.00 H new ATOM 0 HD3 LYS B 44 11.721 16.175 1.754 1.00 0.00 H new ATOM 0 HE2 LYS B 44 12.389 17.983 0.313 1.00 0.00 H new ATOM 0 HE3 LYS B 44 10.775 18.147 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 11.237 19.867 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 9.983 18.867 1.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 11.546 18.708 2.470 1.00 0.00 H new ATOM 2143 N GLU B 45 14.174 12.383 -0.488 1.00 0.00 N ATOM 2144 CA GLU B 45 15.559 11.995 -0.718 1.00 0.00 C ATOM 2145 C GLU B 45 15.673 11.095 -1.939 1.00 0.00 C ATOM 2146 O GLU B 45 16.381 11.415 -2.891 1.00 0.00 O ATOM 2147 CB GLU B 45 16.127 11.284 0.511 1.00 0.00 C ATOM 2148 CG GLU B 45 16.896 12.205 1.444 1.00 0.00 C ATOM 2149 CD GLU B 45 18.372 11.866 1.511 1.00 0.00 C ATOM 2150 OE1 GLU B 45 18.749 11.020 2.348 1.00 0.00 O ATOM 2151 OE2 GLU B 45 19.150 12.447 0.725 1.00 0.00 O ATOM 0 H GLU B 45 13.812 12.139 0.434 1.00 0.00 H new ATOM 0 HA GLU B 45 16.137 12.901 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.309 10.821 1.063 1.00 0.00 H new ATOM 0 HB3 GLU B 45 16.786 10.480 0.183 1.00 0.00 H new ATOM 0 HG2 GLU B 45 16.778 13.236 1.109 1.00 0.00 H new ATOM 0 HG3 GLU B 45 16.467 12.144 2.444 1.00 0.00 H new ATOM 2158 N PHE B 46 14.969 9.972 -1.907 1.00 0.00 N ATOM 2159 CA PHE B 46 14.990 9.027 -3.016 1.00 0.00 C ATOM 2160 C PHE B 46 14.964 9.755 -4.352 1.00 0.00 C ATOM 2161 O PHE B 46 15.913 9.675 -5.130 1.00 0.00 O ATOM 2162 CB PHE B 46 13.803 8.072 -2.925 1.00 0.00 C ATOM 2163 CG PHE B 46 14.205 6.649 -2.679 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.571 6.232 -1.412 1.00 0.00 C ATOM 2165 CD2 PHE B 46 14.218 5.731 -3.716 1.00 0.00 C ATOM 2166 CE1 PHE B 46 14.942 4.924 -1.181 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.588 4.419 -3.491 1.00 0.00 C ATOM 2168 CZ PHE B 46 14.951 4.015 -2.221 1.00 0.00 C ATOM 0 H PHE B 46 14.376 9.693 -1.125 1.00 0.00 H new ATOM 0 HA PHE B 46 15.915 8.454 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE B 46 13.142 8.400 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE B 46 13.230 8.126 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.566 6.938 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.936 6.044 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.225 4.610 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.593 3.711 -4.306 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.241 2.990 -2.041 1.00 0.00 H new ATOM 2178 N ASP B 47 13.872 10.461 -4.617 1.00 0.00 N ATOM 2179 CA ASP B 47 13.729 11.198 -5.865 1.00 0.00 C ATOM 2180 C ASP B 47 14.994 11.993 -6.174 1.00 0.00 C ATOM 2181 O ASP B 47 15.446 12.038 -7.318 1.00 0.00 O ATOM 2182 CB ASP B 47 12.528 12.141 -5.791 1.00 0.00 C ATOM 2183 CG ASP B 47 12.699 13.210 -4.730 1.00 0.00 C ATOM 2184 OD1 ASP B 47 13.585 14.074 -4.896 1.00 0.00 O ATOM 2185 OD2 ASP B 47 11.948 13.182 -3.732 1.00 0.00 O ATOM 0 H ASP B 47 13.075 10.538 -3.986 1.00 0.00 H new ATOM 0 HA ASP B 47 13.567 10.477 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP B 47 12.382 12.616 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP B 47 11.628 11.563 -5.580 1.00 0.00 H new ATOM 2190 N LYS B 48 15.555 12.625 -5.150 1.00 0.00 N ATOM 2191 CA LYS B 48 16.761 13.431 -5.314 1.00 0.00 C ATOM 2192 C LYS B 48 17.991 12.565 -5.603 1.00 0.00 C ATOM 2193 O LYS B 48 18.868 12.958 -6.372 1.00 0.00 O ATOM 2194 CB LYS B 48 16.995 14.288 -4.064 1.00 0.00 C ATOM 2195 CG LYS B 48 17.870 13.623 -3.011 1.00 0.00 C ATOM 2196 CD LYS B 48 19.334 13.982 -3.199 1.00 0.00 C ATOM 2197 CE LYS B 48 19.554 15.484 -3.109 1.00 0.00 C ATOM 2198 NZ LYS B 48 20.991 15.824 -2.914 1.00 0.00 N ATOM 0 H LYS B 48 15.195 12.596 -4.196 1.00 0.00 H new ATOM 0 HA LYS B 48 16.610 14.082 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS B 48 17.456 15.229 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS B 48 16.031 14.533 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS B 48 17.543 13.930 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS B 48 17.749 12.541 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS B 48 19.934 13.479 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS B 48 19.677 13.620 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS B 48 19.189 15.960 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS B 48 18.970 15.888 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 21.099 16.857 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 21.334 15.391 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 21.545 15.461 -3.716 1.00 0.00 H new ATOM 2212 N LYS B 49 18.057 11.398 -4.973 1.00 0.00 N ATOM 2213 CA LYS B 49 19.188 10.492 -5.153 1.00 0.00 C ATOM 2214 C LYS B 49 18.950 9.513 -6.301 1.00 0.00 C ATOM 2215 O LYS B 49 19.860 8.790 -6.706 1.00 0.00 O ATOM 2216 CB LYS B 49 19.459 9.722 -3.857 1.00 0.00 C ATOM 2217 CG LYS B 49 20.937 9.527 -3.562 1.00 0.00 C ATOM 2218 CD LYS B 49 21.257 8.076 -3.247 1.00 0.00 C ATOM 2219 CE LYS B 49 20.821 7.151 -4.373 1.00 0.00 C ATOM 2220 NZ LYS B 49 21.882 6.996 -5.406 1.00 0.00 N ATOM 0 H LYS B 49 17.341 11.056 -4.332 1.00 0.00 H new ATOM 0 HA LYS B 49 20.059 11.097 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.998 10.254 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS B 49 18.977 8.746 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS B 49 21.526 9.852 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS B 49 21.227 10.155 -2.720 1.00 0.00 H new ATOM 0 HD2 LYS B 49 22.329 7.967 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS B 49 20.759 7.785 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS B 49 20.568 6.173 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS B 49 19.917 7.545 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 21.610 7.518 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 22.780 7.373 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 21.998 5.988 -5.636 1.00 0.00 H new ATOM 2234 N TYR B 50 17.725 9.486 -6.816 1.00 0.00 N ATOM 2235 CA TYR B 50 17.383 8.585 -7.910 1.00 0.00 C ATOM 2236 C TYR B 50 16.738 9.337 -9.072 1.00 0.00 C ATOM 2237 O TYR B 50 17.338 9.479 -10.136 1.00 0.00 O ATOM 2238 CB TYR B 50 16.439 7.488 -7.413 1.00 0.00 C ATOM 2239 CG TYR B 50 17.013 6.657 -6.288 1.00 0.00 C ATOM 2240 CD1 TYR B 50 17.879 5.603 -6.550 1.00 0.00 C ATOM 2241 CD2 TYR B 50 16.687 6.923 -4.963 1.00 0.00 C ATOM 2242 CE1 TYR B 50 18.406 4.840 -5.525 1.00 0.00 C ATOM 2243 CE2 TYR B 50 17.210 6.165 -3.933 1.00 0.00 C ATOM 2244 CZ TYR B 50 18.068 5.125 -4.219 1.00 0.00 C ATOM 2245 OH TYR B 50 18.591 4.367 -3.198 1.00 0.00 O ATOM 0 H TYR B 50 16.956 10.075 -6.495 1.00 0.00 H new ATOM 0 HA TYR B 50 18.307 8.133 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.509 7.946 -7.077 1.00 0.00 H new ATOM 0 HB3 TYR B 50 16.188 6.832 -8.246 1.00 0.00 H new ATOM 0 HD1 TYR B 50 18.145 5.376 -7.572 1.00 0.00 H new ATOM 0 HD2 TYR B 50 16.014 7.736 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR B 50 19.079 4.025 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR B 50 16.948 6.386 -2.909 1.00 0.00 H new ATOM 0 HH TYR B 50 19.347 3.842 -3.535 1.00 0.00 H new ATOM 2255 N ASN B 51 15.511 9.809 -8.858 1.00 0.00 N ATOM 2256 CA ASN B 51 14.776 10.538 -9.883 1.00 0.00 C ATOM 2257 C ASN B 51 13.286 10.543 -9.554 1.00 0.00 C ATOM 2258 O ASN B 51 12.622 9.511 -9.641 1.00 0.00 O ATOM 2259 CB ASN B 51 15.001 9.908 -11.260 1.00 0.00 C ATOM 2260 CG ASN B 51 14.704 10.870 -12.394 1.00 0.00 C ATOM 2261 OD1 ASN B 51 13.768 10.665 -13.167 1.00 0.00 O ATOM 2262 ND2 ASN B 51 15.502 11.926 -12.498 1.00 0.00 N ATOM 0 H ASN B 51 15.006 9.697 -7.979 1.00 0.00 H new ATOM 0 HA ASN B 51 15.143 11.564 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN B 51 16.034 9.569 -11.337 1.00 0.00 H new ATOM 0 HB3 ASN B 51 14.368 9.026 -11.360 1.00 0.00 H new ATOM 0 HD21 ASN B 51 15.351 12.608 -13.241 1.00 0.00 H new ATOM 0 HD22 ASN B 51 16.266 12.055 -11.834 1.00 0.00 H new ATOM 2269 N PRO B 52 12.738 11.706 -9.166 1.00 0.00 N ATOM 2270 CA PRO B 52 11.323 11.827 -8.821 1.00 0.00 C ATOM 2271 C PRO B 52 10.414 11.089 -9.809 1.00 0.00 C ATOM 2272 O PRO B 52 10.790 10.891 -10.965 1.00 0.00 O ATOM 2273 CB PRO B 52 11.086 13.330 -8.887 1.00 0.00 C ATOM 2274 CG PRO B 52 12.394 13.930 -8.505 1.00 0.00 C ATOM 2275 CD PRO B 52 13.450 12.994 -9.031 1.00 0.00 C ATOM 0 HA PRO B 52 11.093 11.384 -7.852 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.784 13.641 -9.887 1.00 0.00 H new ATOM 0 HB3 PRO B 52 10.294 13.637 -8.204 1.00 0.00 H new ATOM 0 HG2 PRO B 52 12.507 14.926 -8.934 1.00 0.00 H new ATOM 0 HG3 PRO B 52 12.472 14.038 -7.423 1.00 0.00 H new ATOM 0 HD2 PRO B 52 13.847 13.335 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO B 52 14.294 12.916 -8.345 1.00 0.00 H new ATOM 2283 N THR B 53 9.215 10.678 -9.365 1.00 0.00 N ATOM 2284 CA THR B 53 8.753 10.906 -7.995 1.00 0.00 C ATOM 2285 C THR B 53 8.487 9.583 -7.291 1.00 0.00 C ATOM 2286 O THR B 53 7.873 8.682 -7.859 1.00 0.00 O ATOM 2287 CB THR B 53 7.484 11.760 -7.993 1.00 0.00 C ATOM 2288 OG1 THR B 53 7.788 13.113 -8.278 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.742 11.721 -6.673 1.00 0.00 C ATOM 0 H THR B 53 8.543 10.179 -9.948 1.00 0.00 H new ATOM 0 HA THR B 53 9.538 11.438 -7.457 1.00 0.00 H new ATOM 0 HB THR B 53 6.844 11.331 -8.764 1.00 0.00 H new ATOM 0 HG1 THR B 53 6.963 13.642 -8.274 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.852 12.347 -6.737 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.449 10.695 -6.451 1.00 0.00 H new ATOM 0 HG23 THR B 53 7.391 12.093 -5.880 1.00 0.00 H new ATOM 2297 N TRP B 54 8.959 9.469 -6.056 1.00 0.00 N ATOM 2298 CA TRP B 54 8.780 8.249 -5.281 1.00 0.00 C ATOM 2299 C TRP B 54 7.633 8.368 -4.282 1.00 0.00 C ATOM 2300 O TRP B 54 7.619 9.266 -3.441 1.00 0.00 O ATOM 2301 CB TRP B 54 10.063 7.912 -4.521 1.00 0.00 C ATOM 2302 CG TRP B 54 11.246 7.671 -5.403 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.926 8.599 -6.138 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.896 6.417 -5.638 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.961 8.000 -6.811 1.00 0.00 N ATOM 2306 CE2 TRP B 54 12.963 6.660 -6.522 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.679 5.113 -5.184 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.810 5.646 -6.963 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.521 4.108 -5.622 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.576 4.379 -6.502 1.00 0.00 C ATOM 0 H TRP B 54 9.469 10.207 -5.570 1.00 0.00 H new ATOM 0 HA TRP B 54 8.540 7.455 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.293 8.729 -3.837 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.890 7.025 -3.912 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.685 9.651 -6.183 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.622 8.475 -7.426 1.00 0.00 H new ATOM 0 HE3 TRP B 54 10.869 4.895 -4.504 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.622 5.852 -7.644 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.362 3.096 -5.280 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.218 3.572 -6.823 1.00 0.00 H new ATOM 2321 N HIS B 55 6.696 7.428 -4.352 1.00 0.00 N ATOM 2322 CA HIS B 55 5.573 7.397 -3.424 1.00 0.00 C ATOM 2323 C HIS B 55 5.937 6.480 -2.266 1.00 0.00 C ATOM 2324 O HIS B 55 5.801 5.261 -2.360 1.00 0.00 O ATOM 2325 CB HIS B 55 4.304 6.902 -4.120 1.00 0.00 C ATOM 2326 CG HIS B 55 3.846 7.793 -5.232 1.00 0.00 C ATOM 2327 ND1 HIS B 55 2.866 7.429 -6.133 1.00 0.00 N ATOM 2328 CD2 HIS B 55 4.240 9.039 -5.590 1.00 0.00 C ATOM 2329 CE1 HIS B 55 2.679 8.412 -6.996 1.00 0.00 C ATOM 2330 NE2 HIS B 55 3.499 9.399 -6.688 1.00 0.00 N ATOM 0 H HIS B 55 6.693 6.677 -5.043 1.00 0.00 H new ATOM 0 HA HIS B 55 5.372 8.403 -3.056 1.00 0.00 H new ATOM 0 HB2 HIS B 55 4.483 5.903 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.506 6.814 -3.383 1.00 0.00 H new ATOM 0 HD1 HIS B 55 2.365 6.541 -6.133 1.00 0.00 H new ATOM 0 HD2 HIS B 55 4.996 9.637 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS B 55 1.975 8.408 -7.815 1.00 0.00 H new ATOM 2339 N CYS B 56 6.449 7.068 -1.191 1.00 0.00 N ATOM 2340 CA CYS B 56 6.888 6.287 -0.042 1.00 0.00 C ATOM 2341 C CYS B 56 5.897 6.320 1.113 1.00 0.00 C ATOM 2342 O CYS B 56 5.170 7.293 1.312 1.00 0.00 O ATOM 2343 CB CYS B 56 8.250 6.787 0.441 1.00 0.00 C ATOM 2344 SG CYS B 56 8.592 6.433 2.180 1.00 0.00 S ATOM 0 H CYS B 56 6.570 8.076 -1.091 1.00 0.00 H new ATOM 0 HA CYS B 56 6.960 5.252 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS B 56 9.029 6.333 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.307 7.864 0.283 1.00 0.00 H new ATOM 0 HG CYS B 56 8.238 5.212 2.452 1.00 0.00 H new ATOM 2350 N ILE B 57 5.910 5.239 1.885 1.00 0.00 N ATOM 2351 CA ILE B 57 5.056 5.096 3.056 1.00 0.00 C ATOM 2352 C ILE B 57 5.846 4.437 4.181 1.00 0.00 C ATOM 2353 O ILE B 57 6.827 3.737 3.925 1.00 0.00 O ATOM 2354 CB ILE B 57 3.803 4.248 2.752 1.00 0.00 C ATOM 2355 CG1 ILE B 57 3.186 4.666 1.414 1.00 0.00 C ATOM 2356 CG2 ILE B 57 2.785 4.380 3.879 1.00 0.00 C ATOM 2357 CD1 ILE B 57 2.634 6.074 1.413 1.00 0.00 C ATOM 0 H ILE B 57 6.515 4.436 1.715 1.00 0.00 H new ATOM 0 HA ILE B 57 4.726 6.092 3.352 1.00 0.00 H new ATOM 0 HB ILE B 57 4.101 3.202 2.680 1.00 0.00 H new ATOM 0 HG12 ILE B 57 3.942 4.581 0.633 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.386 3.971 1.160 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.907 3.776 3.649 1.00 0.00 H new ATOM 0 HG22 ILE B 57 3.229 4.034 4.813 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.490 5.424 3.982 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.214 6.299 0.433 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.855 6.160 2.170 1.00 0.00 H new ATOM 0 HD13 ILE B 57 3.435 6.779 1.635 1.00 0.00 H new ATOM 2369 N VAL B 58 5.437 4.661 5.421 1.00 0.00 N ATOM 2370 CA VAL B 58 6.143 4.079 6.557 1.00 0.00 C ATOM 2371 C VAL B 58 5.284 4.090 7.817 1.00 0.00 C ATOM 2372 O VAL B 58 5.034 5.143 8.403 1.00 0.00 O ATOM 2373 CB VAL B 58 7.467 4.820 6.828 1.00 0.00 C ATOM 2374 CG1 VAL B 58 7.268 6.321 6.714 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.034 4.448 8.192 1.00 0.00 C ATOM 0 H VAL B 58 4.630 5.234 5.667 1.00 0.00 H new ATOM 0 HA VAL B 58 6.363 3.044 6.296 1.00 0.00 H new ATOM 0 HB VAL B 58 8.190 4.511 6.073 1.00 0.00 H new ATOM 0 HG11 VAL B 58 8.213 6.829 6.908 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.923 6.567 5.710 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.525 6.646 7.442 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.968 4.985 8.357 1.00 0.00 H new ATOM 0 HG22 VAL B 58 7.319 4.717 8.969 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.222 3.375 8.228 1.00 0.00 H new ATOM 2385 N GLY B 59 4.849 2.906 8.232 1.00 0.00 N ATOM 2386 CA GLY B 59 4.037 2.786 9.424 1.00 0.00 C ATOM 2387 C GLY B 59 4.479 1.627 10.292 1.00 0.00 C ATOM 2388 O GLY B 59 5.639 1.559 10.702 1.00 0.00 O ATOM 0 H GLY B 59 5.047 2.024 7.760 1.00 0.00 H new ATOM 0 HA2 GLY B 59 4.094 3.711 9.997 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.993 2.650 9.141 1.00 0.00 H new ATOM 2392 N ARG B 60 3.560 0.713 10.576 1.00 0.00 N ATOM 2393 CA ARG B 60 3.871 -0.441 11.397 1.00 0.00 C ATOM 2394 C ARG B 60 2.780 -1.505 11.304 1.00 0.00 C ATOM 2395 O ARG B 60 3.034 -2.685 11.546 1.00 0.00 O ATOM 2396 CB ARG B 60 4.056 -0.002 12.843 1.00 0.00 C ATOM 2397 CG ARG B 60 3.187 1.180 13.240 1.00 0.00 C ATOM 2398 CD ARG B 60 3.845 2.012 14.328 1.00 0.00 C ATOM 2399 NE ARG B 60 3.036 3.169 14.700 1.00 0.00 N ATOM 2400 CZ ARG B 60 2.518 3.348 15.910 1.00 0.00 C ATOM 2401 NH1 ARG B 60 2.720 2.447 16.861 1.00 0.00 N ATOM 2402 NH2 ARG B 60 1.794 4.429 16.170 1.00 0.00 N ATOM 0 H ARG B 60 2.595 0.752 10.248 1.00 0.00 H new ATOM 0 HA ARG B 60 4.796 -0.884 11.028 1.00 0.00 H new ATOM 0 HB2 ARG B 60 3.832 -0.843 13.500 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.102 0.258 13.003 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.998 1.804 12.367 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.219 0.821 13.590 1.00 0.00 H new ATOM 0 HD2 ARG B 60 4.013 1.390 15.207 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.823 2.349 13.984 1.00 0.00 H new ATOM 0 HE ARG B 60 2.859 3.880 13.991 1.00 0.00 H new ATOM 0 HH11 ARG B 60 3.274 1.614 16.665 1.00 0.00 H new ATOM 0 HH12 ARG B 60 2.321 2.587 17.789 1.00 0.00 H new ATOM 0 HH21 ARG B 60 1.635 5.124 15.440 1.00 0.00 H new ATOM 0 HH22 ARG B 60 1.397 4.565 17.100 1.00 0.00 H new ATOM 2416 N ASN B 61 1.570 -1.086 10.952 1.00 0.00 N ATOM 2417 CA ASN B 61 0.449 -2.013 10.832 1.00 0.00 C ATOM 2418 C ASN B 61 -0.639 -1.451 9.924 1.00 0.00 C ATOM 2419 O ASN B 61 -1.824 -1.497 10.256 1.00 0.00 O ATOM 2420 CB ASN B 61 -0.136 -2.319 12.211 1.00 0.00 C ATOM 2421 CG ASN B 61 0.113 -3.750 12.641 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -0.295 -4.694 11.964 1.00 0.00 O ATOM 2423 ND2 ASN B 61 0.788 -3.918 13.771 1.00 0.00 N ATOM 0 H ASN B 61 1.340 -0.114 10.745 1.00 0.00 H new ATOM 0 HA ASN B 61 0.825 -2.934 10.387 1.00 0.00 H new ATOM 0 HB2 ASN B 61 0.299 -1.641 12.945 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -1.209 -2.128 12.198 1.00 0.00 H new ATOM 0 HD21 ASN B 61 0.988 -4.859 14.111 1.00 0.00 H new ATOM 0 HD22 ASN B 61 1.107 -3.106 14.300 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.232 -0.922 8.774 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.176 -0.356 7.820 1.00 0.00 C ATOM 2432 C PHE B 62 -1.412 -1.311 6.655 1.00 0.00 C ATOM 2433 O PHE B 62 -0.773 -2.360 6.560 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.660 0.986 7.300 1.00 0.00 C ATOM 2435 CG PHE B 62 0.602 0.870 6.493 1.00 0.00 C ATOM 2436 CD1 PHE B 62 1.782 0.454 7.086 1.00 0.00 C ATOM 2437 CD2 PHE B 62 0.606 1.180 5.142 1.00 0.00 C ATOM 2438 CE1 PHE B 62 2.945 0.346 6.347 1.00 0.00 C ATOM 2439 CE2 PHE B 62 1.766 1.076 4.398 1.00 0.00 C ATOM 2440 CZ PHE B 62 2.936 0.659 5.002 1.00 0.00 C ATOM 0 H PHE B 62 0.744 -0.874 8.482 1.00 0.00 H new ATOM 0 HA PHE B 62 -2.125 -0.199 8.333 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.432 1.451 6.687 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.482 1.650 8.146 1.00 0.00 H new ATOM 0 HD1 PHE B 62 1.794 0.211 8.138 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -0.307 1.506 4.666 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.859 0.018 6.820 1.00 0.00 H new ATOM 0 HE2 PHE B 62 1.758 1.320 3.346 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.844 0.578 4.423 1.00 0.00 H new ATOM 2450 N GLY B 63 -2.334 -0.944 5.771 1.00 0.00 N ATOM 2451 CA GLY B 63 -2.638 -1.780 4.623 1.00 0.00 C ATOM 2452 C GLY B 63 -2.406 -1.062 3.309 1.00 0.00 C ATOM 2453 O GLY B 63 -3.321 -0.451 2.756 1.00 0.00 O ATOM 0 H GLY B 63 -2.877 -0.082 5.829 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -2.021 -2.678 4.657 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -3.677 -2.105 4.678 1.00 0.00 H new ATOM 2457 N SER B 64 -1.175 -1.129 2.811 1.00 0.00 N ATOM 2458 CA SER B 64 -0.819 -0.476 1.556 1.00 0.00 C ATOM 2459 C SER B 64 -1.148 -1.365 0.362 1.00 0.00 C ATOM 2460 O SER B 64 -0.651 -2.486 0.251 1.00 0.00 O ATOM 2461 CB SER B 64 0.668 -0.122 1.546 1.00 0.00 C ATOM 2462 OG SER B 64 1.455 -1.216 1.986 1.00 0.00 O ATOM 0 H SER B 64 -0.407 -1.629 3.258 1.00 0.00 H new ATOM 0 HA SER B 64 -1.406 0.439 1.475 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.970 0.166 0.539 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.844 0.740 2.190 1.00 0.00 H new ATOM 0 HG SER B 64 2.306 -0.885 2.342 1.00 0.00 H new ATOM 2468 N TYR B 65 -1.987 -0.852 -0.533 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.383 -1.593 -1.725 1.00 0.00 C ATOM 2470 C TYR B 65 -2.309 -0.702 -2.961 1.00 0.00 C ATOM 2471 O TYR B 65 -3.317 -0.462 -3.626 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.801 -2.144 -1.560 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.091 -3.343 -2.432 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.608 -4.602 -2.099 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.847 -3.218 -3.590 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.871 -5.702 -2.894 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.115 -4.311 -4.391 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.625 -5.550 -4.039 1.00 0.00 C ATOM 2479 OH TYR B 65 -4.889 -6.642 -4.834 1.00 0.00 O ATOM 0 H TYR B 65 -2.406 0.075 -0.455 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.693 -2.426 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.956 -2.419 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.517 -1.356 -1.792 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.017 -4.724 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.232 -2.249 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.489 -6.674 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.705 -4.195 -5.288 1.00 0.00 H new ATOM 0 HH TYR B 65 -5.433 -6.365 -5.600 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.111 -0.214 -3.260 1.00 0.00 N ATOM 2490 CA VAL B 66 -0.903 0.652 -4.414 1.00 0.00 C ATOM 2491 C VAL B 66 -0.402 -0.143 -5.616 1.00 0.00 C ATOM 2492 O VAL B 66 0.041 -1.283 -5.478 1.00 0.00 O ATOM 2493 CB VAL B 66 0.106 1.773 -4.100 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.335 2.562 -2.876 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.496 1.194 -3.894 1.00 0.00 C ATOM 0 H VAL B 66 -0.268 -0.404 -2.718 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.869 1.097 -4.653 1.00 0.00 H new ATOM 0 HB VAL B 66 0.141 2.454 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.390 3.349 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.312 3.008 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.400 1.894 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.197 1.999 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.477 0.491 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.812 0.676 -4.799 1.00 0.00 H new ATOM 2505 N THR B 67 -0.478 0.467 -6.795 1.00 0.00 N ATOM 2506 CA THR B 67 -0.033 -0.183 -8.023 1.00 0.00 C ATOM 2507 C THR B 67 1.340 0.330 -8.447 1.00 0.00 C ATOM 2508 O THR B 67 1.453 1.393 -9.057 1.00 0.00 O ATOM 2509 CB THR B 67 -1.047 0.055 -9.143 1.00 0.00 C ATOM 2510 OG1 THR B 67 -2.302 -0.508 -8.811 1.00 0.00 O ATOM 2511 CG2 THR B 67 -0.619 -0.528 -10.473 1.00 0.00 C ATOM 0 H THR B 67 -0.843 1.410 -6.926 1.00 0.00 H new ATOM 0 HA THR B 67 0.045 -1.253 -7.831 1.00 0.00 H new ATOM 0 HB THR B 67 -1.115 1.138 -9.245 1.00 0.00 H new ATOM 0 HG1 THR B 67 -2.821 0.136 -8.286 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.383 -0.323 -11.223 1.00 0.00 H new ATOM 0 HG22 THR B 67 0.323 -0.076 -10.782 1.00 0.00 H new ATOM 0 HG23 THR B 67 -0.488 -1.605 -10.373 1.00 0.00 H new ATOM 2519 N HIS B 68 2.380 -0.432 -8.123 1.00 0.00 N ATOM 2520 CA HIS B 68 3.746 -0.053 -8.471 1.00 0.00 C ATOM 2521 C HIS B 68 3.820 0.476 -9.900 1.00 0.00 C ATOM 2522 O HIS B 68 2.860 0.371 -10.663 1.00 0.00 O ATOM 2523 CB HIS B 68 4.688 -1.249 -8.310 1.00 0.00 C ATOM 2524 CG HIS B 68 4.122 -2.532 -8.836 1.00 0.00 C ATOM 2525 ND1 HIS B 68 3.218 -2.587 -9.875 1.00 0.00 N ATOM 2526 CD2 HIS B 68 4.338 -3.815 -8.459 1.00 0.00 C ATOM 2527 CE1 HIS B 68 2.900 -3.847 -10.114 1.00 0.00 C ATOM 2528 NE2 HIS B 68 3.566 -4.610 -9.270 1.00 0.00 N ATOM 0 H HIS B 68 2.303 -1.316 -7.620 1.00 0.00 H new ATOM 0 HA HIS B 68 4.057 0.741 -7.792 1.00 0.00 H new ATOM 0 HB2 HIS B 68 5.624 -1.036 -8.826 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.927 -1.373 -7.254 1.00 0.00 H new ATOM 0 HD2 HIS B 68 4.994 -4.150 -7.669 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.212 -4.193 -10.871 1.00 0.00 H new ATOM 0 HE2 HIS B 68 3.516 -5.628 -9.226 1.00 0.00 H new ATOM 2537 N GLU B 69 4.968 1.044 -10.255 1.00 0.00 N ATOM 2538 CA GLU B 69 5.170 1.591 -11.592 1.00 0.00 C ATOM 2539 C GLU B 69 6.592 1.325 -12.083 1.00 0.00 C ATOM 2540 O GLU B 69 7.010 0.174 -12.200 1.00 0.00 O ATOM 2541 CB GLU B 69 4.879 3.094 -11.597 1.00 0.00 C ATOM 2542 CG GLU B 69 3.611 3.471 -10.847 1.00 0.00 C ATOM 2543 CD GLU B 69 2.491 3.899 -11.774 1.00 0.00 C ATOM 2544 OE1 GLU B 69 2.647 4.934 -12.455 1.00 0.00 O ATOM 2545 OE2 GLU B 69 1.457 3.199 -11.819 1.00 0.00 O ATOM 0 H GLU B 69 5.773 1.138 -9.635 1.00 0.00 H new ATOM 0 HA GLU B 69 4.478 1.094 -12.272 1.00 0.00 H new ATOM 0 HB2 GLU B 69 5.724 3.621 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU B 69 4.796 3.436 -12.629 1.00 0.00 H new ATOM 0 HG2 GLU B 69 3.279 2.621 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU B 69 3.832 4.281 -10.152 1.00 0.00 H new ATOM 2552 N THR B 70 7.330 2.395 -12.368 1.00 0.00 N ATOM 2553 CA THR B 70 8.704 2.272 -12.847 1.00 0.00 C ATOM 2554 C THR B 70 9.439 1.150 -12.119 1.00 0.00 C ATOM 2555 O THR B 70 9.299 -0.023 -12.465 1.00 0.00 O ATOM 2556 CB THR B 70 9.455 3.592 -12.659 1.00 0.00 C ATOM 2557 OG1 THR B 70 9.381 4.025 -11.312 1.00 0.00 O ATOM 2558 CG2 THR B 70 8.924 4.709 -13.531 1.00 0.00 C ATOM 0 H THR B 70 7.000 3.356 -12.276 1.00 0.00 H new ATOM 0 HA THR B 70 8.668 2.030 -13.909 1.00 0.00 H new ATOM 0 HB THR B 70 10.485 3.383 -12.949 1.00 0.00 H new ATOM 0 HG1 THR B 70 8.592 4.594 -11.194 1.00 0.00 H new ATOM 0 HG21 THR B 70 9.499 5.617 -13.350 1.00 0.00 H new ATOM 0 HG22 THR B 70 9.014 4.426 -14.580 1.00 0.00 H new ATOM 0 HG23 THR B 70 7.876 4.890 -13.292 1.00 0.00 H new ATOM 2566 N LYS B 71 10.220 1.518 -11.110 1.00 0.00 N ATOM 2567 CA LYS B 71 10.974 0.541 -10.333 1.00 0.00 C ATOM 2568 C LYS B 71 10.037 -0.326 -9.499 1.00 0.00 C ATOM 2569 O LYS B 71 10.462 -0.975 -8.543 1.00 0.00 O ATOM 2570 CB LYS B 71 11.983 1.246 -9.424 1.00 0.00 C ATOM 2571 CG LYS B 71 13.165 1.840 -10.171 1.00 0.00 C ATOM 2572 CD LYS B 71 13.819 0.818 -11.087 1.00 0.00 C ATOM 2573 CE LYS B 71 15.160 0.355 -10.541 1.00 0.00 C ATOM 2574 NZ LYS B 71 16.246 1.328 -10.840 1.00 0.00 N ATOM 0 H LYS B 71 10.348 2.485 -10.811 1.00 0.00 H new ATOM 0 HA LYS B 71 11.514 -0.102 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS B 71 11.474 2.040 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS B 71 12.352 0.535 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS B 71 12.832 2.696 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS B 71 13.899 2.211 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS B 71 13.158 -0.040 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS B 71 13.959 1.252 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS B 71 15.084 0.215 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS B 71 15.412 -0.614 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 17.019 0.843 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 15.873 2.091 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 16.606 1.731 -9.951 1.00 0.00 H new ATOM 2588 N HIS B 72 8.761 -0.332 -9.868 1.00 0.00 N ATOM 2589 CA HIS B 72 7.761 -1.118 -9.156 1.00 0.00 C ATOM 2590 C HIS B 72 7.567 -0.596 -7.736 1.00 0.00 C ATOM 2591 O HIS B 72 6.707 0.249 -7.488 1.00 0.00 O ATOM 2592 CB HIS B 72 8.168 -2.593 -9.122 1.00 0.00 C ATOM 2593 CG HIS B 72 7.898 -3.317 -10.404 1.00 0.00 C ATOM 2594 ND1 HIS B 72 8.749 -4.270 -10.924 1.00 0.00 N ATOM 2595 CD2 HIS B 72 6.864 -3.225 -11.275 1.00 0.00 C ATOM 2596 CE1 HIS B 72 8.251 -4.731 -12.058 1.00 0.00 C ATOM 2597 NE2 HIS B 72 7.108 -4.114 -12.293 1.00 0.00 N ATOM 0 H HIS B 72 8.394 0.200 -10.658 1.00 0.00 H new ATOM 0 HA HIS B 72 6.815 -1.024 -9.689 1.00 0.00 H new ATOM 0 HB2 HIS B 72 9.231 -2.663 -8.891 1.00 0.00 H new ATOM 0 HB3 HIS B 72 7.633 -3.091 -8.313 1.00 0.00 H new ATOM 0 HD1 HIS B 72 9.626 -4.572 -10.499 1.00 0.00 H new ATOM 0 HD2 HIS B 72 6.007 -2.574 -11.185 1.00 0.00 H new ATOM 0 HE1 HIS B 72 8.703 -5.485 -12.686 1.00 0.00 H new ATOM 2606 N PHE B 73 8.372 -1.103 -6.808 1.00 0.00 N ATOM 2607 CA PHE B 73 8.286 -0.686 -5.412 1.00 0.00 C ATOM 2608 C PHE B 73 9.053 -1.646 -4.506 1.00 0.00 C ATOM 2609 O PHE B 73 9.687 -2.591 -4.978 1.00 0.00 O ATOM 2610 CB PHE B 73 6.822 -0.621 -4.969 1.00 0.00 C ATOM 2611 CG PHE B 73 6.247 -1.963 -4.605 1.00 0.00 C ATOM 2612 CD1 PHE B 73 6.151 -2.970 -5.552 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.808 -2.216 -3.316 1.00 0.00 C ATOM 2614 CE1 PHE B 73 5.627 -4.205 -5.220 1.00 0.00 C ATOM 2615 CE2 PHE B 73 5.282 -3.450 -2.978 1.00 0.00 C ATOM 2616 CZ PHE B 73 5.192 -4.445 -3.931 1.00 0.00 C ATOM 0 H PHE B 73 9.090 -1.802 -6.996 1.00 0.00 H new ATOM 0 HA PHE B 73 8.734 0.304 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.739 0.046 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.227 -0.184 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.490 -2.788 -6.561 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.877 -1.441 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.558 -4.982 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.942 -3.635 -1.970 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.782 -5.409 -3.669 1.00 0.00 H new ATOM 2626 N ILE B 74 8.978 -1.405 -3.199 1.00 0.00 N ATOM 2627 CA ILE B 74 9.651 -2.254 -2.224 1.00 0.00 C ATOM 2628 C ILE B 74 8.995 -2.159 -0.852 1.00 0.00 C ATOM 2629 O ILE B 74 9.030 -1.112 -0.206 1.00 0.00 O ATOM 2630 CB ILE B 74 11.141 -1.899 -2.072 1.00 0.00 C ATOM 2631 CG1 ILE B 74 11.808 -2.918 -1.119 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.284 -0.458 -1.583 1.00 0.00 C ATOM 2633 CD1 ILE B 74 12.859 -2.358 -0.177 1.00 0.00 C ATOM 0 H ILE B 74 8.457 -0.628 -2.792 1.00 0.00 H new ATOM 0 HA ILE B 74 9.563 -3.271 -2.607 1.00 0.00 H new ATOM 0 HB ILE B 74 11.650 -1.960 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.029 -3.391 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.268 -3.701 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.341 -0.213 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE B 74 10.825 0.218 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.788 -0.350 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.257 -3.161 0.443 1.00 0.00 H new ATOM 0 HD12 ILE B 74 13.667 -1.912 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.408 -1.598 0.461 1.00 0.00 H new ATOM 2645 N TYR B 75 8.416 -3.267 -0.407 1.00 0.00 N ATOM 2646 CA TYR B 75 7.772 -3.323 0.897 1.00 0.00 C ATOM 2647 C TYR B 75 8.699 -3.993 1.906 1.00 0.00 C ATOM 2648 O TYR B 75 9.352 -4.989 1.593 1.00 0.00 O ATOM 2649 CB TYR B 75 6.450 -4.088 0.806 1.00 0.00 C ATOM 2650 CG TYR B 75 5.389 -3.590 1.762 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.104 -2.235 1.870 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.676 -4.476 2.560 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.136 -1.776 2.744 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.706 -4.025 3.435 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.441 -2.675 3.524 1.00 0.00 C ATOM 2656 OH TYR B 75 2.477 -2.222 4.395 1.00 0.00 O ATOM 0 H TYR B 75 8.380 -4.141 -0.932 1.00 0.00 H new ATOM 0 HA TYR B 75 7.562 -2.306 1.229 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.070 -4.017 -0.213 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.637 -5.143 1.004 1.00 0.00 H new ATOM 0 HD1 TYR B 75 5.648 -1.528 1.261 1.00 0.00 H new ATOM 0 HD2 TYR B 75 4.883 -5.534 2.496 1.00 0.00 H new ATOM 0 HE1 TYR B 75 3.926 -0.719 2.815 1.00 0.00 H new ATOM 0 HE2 TYR B 75 3.158 -4.727 4.046 1.00 0.00 H new ATOM 0 HH TYR B 75 2.813 -1.436 4.874 1.00 0.00 H new ATOM 2666 N PHE B 76 8.767 -3.440 3.110 1.00 0.00 N ATOM 2667 CA PHE B 76 9.630 -3.989 4.152 1.00 0.00 C ATOM 2668 C PHE B 76 9.233 -3.473 5.532 1.00 0.00 C ATOM 2669 O PHE B 76 8.611 -2.418 5.656 1.00 0.00 O ATOM 2670 CB PHE B 76 11.092 -3.636 3.866 1.00 0.00 C ATOM 2671 CG PHE B 76 11.295 -2.199 3.476 1.00 0.00 C ATOM 2672 CD1 PHE B 76 10.783 -1.712 2.284 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.000 -1.337 4.300 1.00 0.00 C ATOM 2674 CE1 PHE B 76 10.969 -0.391 1.921 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.189 -0.015 3.943 1.00 0.00 C ATOM 2676 CZ PHE B 76 11.673 0.458 2.752 1.00 0.00 C ATOM 0 H PHE B 76 8.238 -2.614 3.390 1.00 0.00 H new ATOM 0 HA PHE B 76 9.511 -5.072 4.147 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.690 -3.852 4.751 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.463 -4.277 3.067 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.232 -2.372 1.631 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.406 -1.702 5.232 1.00 0.00 H new ATOM 0 HE1 PHE B 76 10.565 -0.024 0.989 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.740 0.647 4.595 1.00 0.00 H new ATOM 0 HZ PHE B 76 11.820 1.490 2.471 1.00 0.00 H new ATOM 2686 N TYR B 77 9.596 -4.227 6.566 1.00 0.00 N ATOM 2687 CA TYR B 77 9.276 -3.847 7.940 1.00 0.00 C ATOM 2688 C TYR B 77 10.543 -3.598 8.756 1.00 0.00 C ATOM 2689 O TYR B 77 11.305 -4.523 9.039 1.00 0.00 O ATOM 2690 CB TYR B 77 8.428 -4.936 8.605 1.00 0.00 C ATOM 2691 CG TYR B 77 8.444 -4.890 10.119 1.00 0.00 C ATOM 2692 CD1 TYR B 77 9.516 -5.407 10.837 1.00 0.00 C ATOM 2693 CD2 TYR B 77 7.388 -4.333 10.830 1.00 0.00 C ATOM 2694 CE1 TYR B 77 9.535 -5.371 12.219 1.00 0.00 C ATOM 2695 CE2 TYR B 77 7.399 -4.291 12.211 1.00 0.00 C ATOM 2696 CZ TYR B 77 8.474 -4.811 12.902 1.00 0.00 C ATOM 2697 OH TYR B 77 8.488 -4.773 14.278 1.00 0.00 O ATOM 0 H TYR B 77 10.111 -5.103 6.480 1.00 0.00 H new ATOM 0 HA TYR B 77 8.707 -2.918 7.908 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.398 -4.842 8.260 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.786 -5.912 8.277 1.00 0.00 H new ATOM 0 HD1 TYR B 77 10.349 -5.844 10.306 1.00 0.00 H new ATOM 0 HD2 TYR B 77 6.544 -3.926 10.294 1.00 0.00 H new ATOM 0 HE1 TYR B 77 10.375 -5.779 12.761 1.00 0.00 H new ATOM 0 HE2 TYR B 77 6.570 -3.853 12.747 1.00 0.00 H new ATOM 0 HH TYR B 77 9.404 -4.619 14.592 1.00 0.00 H new ATOM 2707 N LEU B 78 10.755 -2.342 9.139 1.00 0.00 N ATOM 2708 CA LEU B 78 11.919 -1.966 9.934 1.00 0.00 C ATOM 2709 C LEU B 78 11.804 -2.519 11.350 1.00 0.00 C ATOM 2710 O LEU B 78 10.754 -3.029 11.741 1.00 0.00 O ATOM 2711 CB LEU B 78 12.062 -0.444 9.976 1.00 0.00 C ATOM 2712 CG LEU B 78 12.772 0.177 8.771 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.251 -0.178 8.785 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.124 -0.283 7.473 1.00 0.00 C ATOM 0 H LEU B 78 10.134 -1.566 8.911 1.00 0.00 H new ATOM 0 HA LEU B 78 12.806 -2.392 9.466 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.068 -0.004 10.059 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.608 -0.171 10.879 1.00 0.00 H new ATOM 0 HG LEU B 78 12.677 1.261 8.836 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.741 0.271 7.921 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.708 0.201 9.699 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.366 -1.261 8.744 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.642 0.169 6.627 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.188 -1.369 7.399 1.00 0.00 H new ATOM 0 HD23 LEU B 78 11.077 0.021 7.461 1.00 0.00 H new ATOM 2726 N GLY B 79 12.890 -2.416 12.113 1.00 0.00 N ATOM 2727 CA GLY B 79 12.890 -2.910 13.479 1.00 0.00 C ATOM 2728 C GLY B 79 11.512 -2.871 14.110 1.00 0.00 C ATOM 2729 O GLY B 79 11.148 -3.760 14.880 1.00 0.00 O ATOM 0 H GLY B 79 13.770 -1.999 11.809 1.00 0.00 H new ATOM 0 HA2 GLY B 79 13.263 -3.934 13.492 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.578 -2.313 14.078 1.00 0.00 H new ATOM 2733 N GLN B 80 10.743 -1.839 13.778 1.00 0.00 N ATOM 2734 CA GLN B 80 9.393 -1.684 14.309 1.00 0.00 C ATOM 2735 C GLN B 80 8.564 -0.772 13.414 1.00 0.00 C ATOM 2736 O GLN B 80 7.853 0.110 13.895 1.00 0.00 O ATOM 2737 CB GLN B 80 9.440 -1.122 15.731 1.00 0.00 C ATOM 2738 CG GLN B 80 9.047 -2.133 16.795 1.00 0.00 C ATOM 2739 CD GLN B 80 8.544 -1.480 18.068 1.00 0.00 C ATOM 2740 OE1 GLN B 80 7.971 -2.141 18.933 1.00 0.00 O ATOM 2741 NE2 GLN B 80 8.756 -0.174 18.190 1.00 0.00 N ATOM 0 H GLN B 80 11.032 -1.096 13.142 1.00 0.00 H new ATOM 0 HA GLN B 80 8.922 -2.667 14.334 1.00 0.00 H new ATOM 0 HB2 GLN B 80 10.448 -0.762 15.938 1.00 0.00 H new ATOM 0 HB3 GLN B 80 8.774 -0.261 15.795 1.00 0.00 H new ATOM 0 HG2 GLN B 80 8.272 -2.789 16.398 1.00 0.00 H new ATOM 0 HG3 GLN B 80 9.907 -2.760 17.029 1.00 0.00 H new ATOM 0 HE21 GLN B 80 9.236 0.336 17.448 1.00 0.00 H new ATOM 0 HE22 GLN B 80 8.439 0.318 19.025 1.00 0.00 H new ATOM 2750 N VAL B 81 8.664 -0.987 12.106 1.00 0.00 N ATOM 2751 CA VAL B 81 7.930 -0.183 11.140 1.00 0.00 C ATOM 2752 C VAL B 81 7.817 -0.905 9.799 1.00 0.00 C ATOM 2753 O VAL B 81 8.471 -1.924 9.575 1.00 0.00 O ATOM 2754 CB VAL B 81 8.609 1.190 10.946 1.00 0.00 C ATOM 2755 CG1 VAL B 81 8.080 1.901 9.709 1.00 0.00 C ATOM 2756 CG2 VAL B 81 8.413 2.053 12.183 1.00 0.00 C ATOM 0 H VAL B 81 9.248 -1.713 11.692 1.00 0.00 H new ATOM 0 HA VAL B 81 6.925 -0.026 11.533 1.00 0.00 H new ATOM 0 HB VAL B 81 9.676 1.021 10.799 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.579 2.864 9.602 1.00 0.00 H new ATOM 0 HG12 VAL B 81 8.276 1.291 8.827 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.006 2.058 9.811 1.00 0.00 H new ATOM 0 HG21 VAL B 81 8.896 3.018 12.033 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.347 2.204 12.356 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.854 1.556 13.047 1.00 0.00 H new ATOM 2766 N ALA B 82 6.986 -0.371 8.910 1.00 0.00 N ATOM 2767 CA ALA B 82 6.786 -0.960 7.593 1.00 0.00 C ATOM 2768 C ALA B 82 6.788 0.123 6.523 1.00 0.00 C ATOM 2769 O ALA B 82 5.876 0.948 6.460 1.00 0.00 O ATOM 2770 CB ALA B 82 5.483 -1.745 7.559 1.00 0.00 C ATOM 0 H ALA B 82 6.438 0.473 9.080 1.00 0.00 H new ATOM 0 HA ALA B 82 7.607 -1.647 7.388 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.346 -2.180 6.569 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.518 -2.541 8.303 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.650 -1.078 7.781 1.00 0.00 H new ATOM 2776 N ILE B 83 7.823 0.128 5.693 1.00 0.00 N ATOM 2777 CA ILE B 83 7.942 1.127 4.641 1.00 0.00 C ATOM 2778 C ILE B 83 7.474 0.593 3.289 1.00 0.00 C ATOM 2779 O ILE B 83 7.841 -0.509 2.877 1.00 0.00 O ATOM 2780 CB ILE B 83 9.390 1.635 4.504 1.00 0.00 C ATOM 2781 CG1 ILE B 83 10.182 1.365 5.791 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.393 3.119 4.164 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.858 2.315 6.929 1.00 0.00 C ATOM 0 H ILE B 83 8.588 -0.545 5.728 1.00 0.00 H new ATOM 0 HA ILE B 83 7.296 1.954 4.936 1.00 0.00 H new ATOM 0 HB ILE B 83 9.877 1.094 3.692 1.00 0.00 H new ATOM 0 HG12 ILE B 83 9.986 0.344 6.118 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.247 1.430 5.570 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.421 3.469 4.069 1.00 0.00 H new ATOM 0 HG22 ILE B 83 8.868 3.278 3.222 1.00 0.00 H new ATOM 0 HG23 ILE B 83 8.892 3.675 4.957 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.459 2.057 7.801 1.00 0.00 H new ATOM 0 HD12 ILE B 83 10.081 3.337 6.624 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.801 2.234 7.181 1.00 0.00 H new ATOM 2795 N LEU B 84 6.668 1.398 2.604 1.00 0.00 N ATOM 2796 CA LEU B 84 6.141 1.047 1.292 1.00 0.00 C ATOM 2797 C LEU B 84 6.615 2.064 0.256 1.00 0.00 C ATOM 2798 O LEU B 84 6.004 3.119 0.088 1.00 0.00 O ATOM 2799 CB LEU B 84 4.608 1.004 1.334 1.00 0.00 C ATOM 2800 CG LEU B 84 3.902 1.337 0.018 1.00 0.00 C ATOM 2801 CD1 LEU B 84 3.705 0.081 -0.814 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.566 2.018 0.285 1.00 0.00 C ATOM 0 H LEU B 84 6.363 2.310 2.943 1.00 0.00 H new ATOM 0 HA LEU B 84 6.508 0.060 1.012 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.299 0.008 1.650 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.263 1.702 2.097 1.00 0.00 H new ATOM 0 HG LEU B 84 4.531 2.026 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU B 84 3.201 0.337 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU B 84 4.675 -0.364 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU B 84 3.097 -0.632 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.079 2.247 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU B 84 1.929 1.354 0.869 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.733 2.941 0.840 1.00 0.00 H new ATOM 2814 N LEU B 85 7.716 1.751 -0.420 1.00 0.00 N ATOM 2815 CA LEU B 85 8.278 2.652 -1.421 1.00 0.00 C ATOM 2816 C LEU B 85 7.862 2.254 -2.832 1.00 0.00 C ATOM 2817 O LEU B 85 7.894 1.079 -3.196 1.00 0.00 O ATOM 2818 CB LEU B 85 9.804 2.674 -1.314 1.00 0.00 C ATOM 2819 CG LEU B 85 10.408 4.034 -0.957 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.229 4.324 0.526 1.00 0.00 C ATOM 2821 CD2 LEU B 85 11.881 4.079 -1.333 1.00 0.00 C ATOM 0 H LEU B 85 8.236 0.883 -0.294 1.00 0.00 H new ATOM 0 HA LEU B 85 7.886 3.650 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.111 1.948 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.225 2.345 -2.264 1.00 0.00 H new ATOM 0 HG LEU B 85 9.884 4.802 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.664 5.295 0.762 1.00 0.00 H new ATOM 0 HD12 LEU B 85 9.167 4.334 0.769 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.728 3.551 1.111 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.294 5.054 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.419 3.300 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU B 85 11.988 3.915 -2.405 1.00 0.00 H new ATOM 2833 N PHE B 86 7.476 3.249 -3.626 1.00 0.00 N ATOM 2834 CA PHE B 86 7.058 3.017 -5.004 1.00 0.00 C ATOM 2835 C PHE B 86 6.801 4.338 -5.723 1.00 0.00 C ATOM 2836 O PHE B 86 5.960 5.130 -5.298 1.00 0.00 O ATOM 2837 CB PHE B 86 5.796 2.149 -5.037 1.00 0.00 C ATOM 2838 CG PHE B 86 4.530 2.920 -4.794 1.00 0.00 C ATOM 2839 CD1 PHE B 86 4.204 3.357 -3.519 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.667 3.207 -5.838 1.00 0.00 C ATOM 2841 CE1 PHE B 86 3.040 4.065 -3.291 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.500 3.915 -5.617 1.00 0.00 C ATOM 2843 CZ PHE B 86 2.187 4.345 -4.342 1.00 0.00 C ATOM 0 H PHE B 86 7.444 4.227 -3.337 1.00 0.00 H new ATOM 0 HA PHE B 86 7.863 2.494 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.730 1.655 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.884 1.365 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.868 3.141 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.908 2.874 -6.837 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.797 4.399 -2.293 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.834 4.131 -6.440 1.00 0.00 H new ATOM 0 HZ PHE B 86 1.277 4.899 -4.167 1.00 0.00 H new ATOM 2853 N LYS B 87 7.527 4.571 -6.813 1.00 0.00 N ATOM 2854 CA LYS B 87 7.369 5.799 -7.584 1.00 0.00 C ATOM 2855 C LYS B 87 6.322 5.624 -8.678 1.00 0.00 C ATOM 2856 O LYS B 87 5.983 4.503 -9.054 1.00 0.00 O ATOM 2857 CB LYS B 87 8.702 6.222 -8.204 1.00 0.00 C ATOM 2858 CG LYS B 87 9.725 5.105 -8.289 1.00 0.00 C ATOM 2859 CD LYS B 87 11.106 5.641 -8.627 1.00 0.00 C ATOM 2860 CE LYS B 87 11.153 6.205 -10.037 1.00 0.00 C ATOM 2861 NZ LYS B 87 12.392 5.802 -10.755 1.00 0.00 N ATOM 0 H LYS B 87 8.228 3.928 -7.181 1.00 0.00 H new ATOM 0 HA LYS B 87 7.033 6.580 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS B 87 8.518 6.609 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS B 87 9.120 7.040 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS B 87 9.763 4.571 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.417 4.385 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS B 87 11.381 6.418 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS B 87 11.842 4.843 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.282 5.861 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS B 87 11.095 7.293 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 12.478 6.351 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 13.218 5.985 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 12.347 4.788 -10.983 1.00 0.00 H new ATOM 2875 N SER B 88 5.818 6.742 -9.187 1.00 0.00 N ATOM 2876 CA SER B 88 4.814 6.719 -10.241 1.00 0.00 C ATOM 2877 C SER B 88 5.346 7.389 -11.497 1.00 0.00 C ATOM 2878 O SER B 88 4.585 7.832 -12.358 1.00 0.00 O ATOM 2879 CB SER B 88 3.544 7.424 -9.776 1.00 0.00 C ATOM 2880 OG SER B 88 2.539 6.490 -9.423 1.00 0.00 O ATOM 0 H SER B 88 6.090 7.678 -8.885 1.00 0.00 H new ATOM 0 HA SER B 88 4.580 5.679 -10.470 1.00 0.00 H new ATOM 0 HB2 SER B 88 3.770 8.059 -8.920 1.00 0.00 H new ATOM 0 HB3 SER B 88 3.176 8.076 -10.568 1.00 0.00 H new ATOM 0 HG SER B 88 1.889 6.418 -10.152 1.00 0.00 H new ATOM 2886 N GLY B 89 6.663 7.459 -11.583 1.00 0.00 N ATOM 2887 CA GLY B 89 7.309 8.076 -12.725 1.00 0.00 C ATOM 2888 C GLY B 89 7.926 9.420 -12.387 1.00 0.00 C ATOM 2889 O GLY B 89 7.488 10.041 -11.394 1.00 0.00 O ATOM 2890 OXT GLY B 89 8.847 9.850 -13.112 1.00 0.00 O ATOM 0 H GLY B 89 7.304 7.097 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY B 89 8.083 7.409 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY B 89 6.580 8.205 -13.525 1.00 0.00 H new TER 2894 GLY B 89