USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=59 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 70 THR OG1 : rot 180:sc= -0.583 USER MOD Set 1.2: B 72 HIS : no HE2:sc= -2.14! C(o=-2!,f=-8.7!) USER MOD Set 1.3: B 87 LYS NZ :NH3+ 150:sc= 0.756 (180deg=0.449) USER MOD Set 2.1: B 27 GLN :FLIP amide:sc= -0.703 F(o=-18!,f=-11) USER MOD Set 2.2: B 32 TYR OH : rot 180:sc= 0.923 USER MOD Set 2.3: B 41 HIS : no HE2:sc= -11.1! C(o=-11!,f=-20!) USER MOD Set 3.1: A 72 HIS : no HE2:sc= -4.03! C(o=-4.1!,f=-11!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -171:sc= -0.029 (180deg=0) USER MOD Set 4.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 68 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-3.8!) USER MOD Set 5.1: A 64 SER OG : rot -152:sc= -0.092 USER MOD Set 5.2: A 75 TYR OH : rot 30:sc= 1.89 USER MOD Set 6.1: A 55 HIS :FLIP no HD1:sc= -23! C(o=-39!,f=-35!) USER MOD Set 6.2: A 88 SER OG : rot 148:sc= -0.383 USER MOD Set 6.3: B 55 HIS : no HE2:sc= -11.6! C(o=-35!,f=-36!) USER MOD Set 6.4: B 88 SER OG : rot -125:sc= 0.0449 USER MOD Set 7.1: A 36 LYS NZ :NH3+ 169:sc= -0.586 (180deg=-0.76) USER MOD Set 7.2: B 64 SER OG : rot -85:sc= -0.575! USER MOD Set 7.3: B 75 TYR OH : rot 2:sc= 1.48 USER MOD Set 8.1: A 31 LYS NZ :NH3+ -161:sc= -0.159 (180deg=-0.976) USER MOD Set 8.2: A 32 TYR OH : rot 180:sc= 0.133 USER MOD Set 9.1: A 13 MET CE :methyl 176:sc= -1.42 (180deg=-1.47) USER MOD Set 9.2: A 21 SER OG : rot 30:sc= -6.87! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.163 (180deg=-0.22) USER MOD Single : A 2 CYS SG : rot -46:sc= -2.1! 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=-0.000655 X(o=-0.00065,f=-0.18) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 17 MET CE :methyl 154:sc= -10! (180deg=-15.3!) USER MOD Single : A 18 GLN :FLIP amide:sc= -7.14! C(o=-13!,f=-7.1!) USER MOD Single : A 19 GLN :FLIP amide:sc= -2.96! C(o=-5!,f=-3!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 13:sc= -1.1! USER MOD Single : A 27 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.9!) USER MOD Single : A 33 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.39) USER MOD Single : A 41 HIS : +bothHN:sc= -20.6! C(o=-21!,f=-22!) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= 0.329 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -0.924! (180deg=-1.86!) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.105 (180deg=-2.13!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -1.42 USER MOD Single : A 51 ASN : amide:sc= -0.417 K(o=-0.42,f=-3.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -101:sc=-0.00645 USER MOD Single : A 61 ASN : amide:sc= -0.615 K(o=-0.61,f=-1.3) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00966 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.1 F(o=-1.8!,f=-0.1) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 CYS SG : rot 180:sc= -0.481 USER MOD Single : B 5 LYS NZ :NH3+ -165:sc= -0.158 (180deg=-0.458) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN :FLIP amide:sc= -0.591 F(o=-3.6!,f=-0.59) USER MOD Single : B 13 MET CE :methyl -146:sc= -1.94 (180deg=-3.04!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -161:sc= -7.32! (180deg=-10.1!) USER MOD Single : B 18 GLN :FLIP amide:sc= -20.4! C(o=-22!,f=-20!) USER MOD Single : B 19 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.76) USER MOD Single : B 21 SER OG : rot 73:sc= -5.2! USER MOD Single : B 24 CYS SG : rot -169:sc= 0.00134 USER MOD Single : B 26 THR OG1 : rot 74:sc= 0.898 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -164:sc= -0.562 (180deg=-1.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= -2.53! USER MOD Single : B 51 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.2!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 CYS SG : rot -131:sc= -6.69! USER MOD Single : B 61 ASN : amide:sc= -0.557 K(o=-0.56,f=-1.2) USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 101:sc= 0.037 USER MOD Single : B 68 HIS : no HD1:sc= -0.728 K(o=-0.73,f=-1.8!) USER MOD Single : B 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0381) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 GLN : amide:sc= -2.38 K(o=-2.4,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.633 0.261 9.053 1.00 0.00 N ATOM 2 CA MET A 1 -22.947 -0.781 8.041 1.00 0.00 C ATOM 3 C MET A 1 -23.257 -0.157 6.685 1.00 0.00 C ATOM 4 O MET A 1 -23.352 -0.856 5.677 1.00 0.00 O ATOM 5 CB MET A 1 -24.146 -1.594 8.535 1.00 0.00 C ATOM 6 CG MET A 1 -23.780 -2.665 9.548 1.00 0.00 C ATOM 7 SD MET A 1 -24.671 -2.482 11.105 1.00 0.00 S ATOM 8 CE MET A 1 -23.353 -2.767 12.283 1.00 0.00 C ATOM 0 H1 MET A 1 -22.311 -0.194 9.931 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.882 0.882 8.690 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.485 0.825 9.247 1.00 0.00 H new ATOM 0 HA MET A 1 -22.080 -1.429 7.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.874 -0.917 8.982 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.632 -2.065 7.680 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.993 -3.647 9.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.708 -2.626 9.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.747 -2.687 13.296 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.939 -3.764 12.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.569 -2.023 12.139 1.00 0.00 H new ATOM 20 N CYS A 2 -23.414 1.163 6.669 1.00 0.00 N ATOM 21 CA CYS A 2 -23.713 1.882 5.436 1.00 0.00 C ATOM 22 C CYS A 2 -23.487 3.379 5.614 1.00 0.00 C ATOM 23 O CYS A 2 -24.424 4.131 5.884 1.00 0.00 O ATOM 24 CB CYS A 2 -25.157 1.619 5.006 1.00 0.00 C ATOM 25 SG CYS A 2 -25.848 0.075 5.644 1.00 0.00 S ATOM 0 H CYS A 2 -23.339 1.756 7.496 1.00 0.00 H new ATOM 0 HA CYS A 2 -23.039 1.520 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -25.781 2.449 5.339 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -25.203 1.603 3.917 1.00 0.00 H new ATOM 0 HG CYS A 2 -24.988 -0.886 5.479 1.00 0.00 H new ATOM 31 N ASP A 3 -22.239 3.806 5.462 1.00 0.00 N ATOM 32 CA ASP A 3 -21.892 5.216 5.607 1.00 0.00 C ATOM 33 C ASP A 3 -20.378 5.402 5.638 1.00 0.00 C ATOM 34 O ASP A 3 -19.628 4.438 5.790 1.00 0.00 O ATOM 35 CB ASP A 3 -22.515 5.786 6.883 1.00 0.00 C ATOM 36 CG ASP A 3 -23.706 6.679 6.596 1.00 0.00 C ATOM 37 OD1 ASP A 3 -23.759 7.264 5.493 1.00 0.00 O ATOM 38 OD2 ASP A 3 -24.587 6.794 7.475 1.00 0.00 O ATOM 0 H ASP A 3 -21.451 3.198 5.239 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.288 5.754 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -22.827 4.966 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.762 6.354 7.429 1.00 0.00 H new ATOM 43 N ARG A 4 -19.937 6.646 5.488 1.00 0.00 N ATOM 44 CA ARG A 4 -18.512 6.959 5.495 1.00 0.00 C ATOM 45 C ARG A 4 -17.853 6.485 6.786 1.00 0.00 C ATOM 46 O ARG A 4 -17.155 5.470 6.802 1.00 0.00 O ATOM 47 CB ARG A 4 -18.297 8.465 5.325 1.00 0.00 C ATOM 48 CG ARG A 4 -19.499 9.193 4.745 1.00 0.00 C ATOM 49 CD ARG A 4 -19.146 9.900 3.446 1.00 0.00 C ATOM 50 NE ARG A 4 -20.067 10.994 3.149 1.00 0.00 N ATOM 51 CZ ARG A 4 -19.830 12.263 3.464 1.00 0.00 C ATOM 52 NH1 ARG A 4 -18.711 12.593 4.093 1.00 0.00 N ATOM 53 NH2 ARG A 4 -20.714 13.201 3.152 1.00 0.00 N ATOM 0 H ARG A 4 -20.546 7.455 5.360 1.00 0.00 H new ATOM 0 HA ARG A 4 -18.050 6.434 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -18.053 8.900 6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -17.436 8.629 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -20.306 8.482 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -19.869 9.920 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -18.130 10.289 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -19.161 9.181 2.627 1.00 0.00 H new ATOM 0 HE ARG A 4 -20.941 10.771 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -18.031 11.873 4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.530 13.567 4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -21.577 12.949 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -20.531 14.175 3.394 1.00 0.00 H new ATOM 67 N LYS A 5 -18.075 7.228 7.865 1.00 0.00 N ATOM 68 CA LYS A 5 -17.497 6.887 9.160 1.00 0.00 C ATOM 69 C LYS A 5 -15.980 7.017 9.123 1.00 0.00 C ATOM 70 O LYS A 5 -15.266 6.325 9.851 1.00 0.00 O ATOM 71 CB LYS A 5 -17.890 5.465 9.562 1.00 0.00 C ATOM 72 CG LYS A 5 -17.999 5.268 11.065 1.00 0.00 C ATOM 73 CD LYS A 5 -19.005 6.225 11.681 1.00 0.00 C ATOM 74 CE LYS A 5 -18.672 6.522 13.135 1.00 0.00 C ATOM 75 NZ LYS A 5 -19.485 5.698 14.069 1.00 0.00 N ATOM 0 H LYS A 5 -18.651 8.070 7.869 1.00 0.00 H new ATOM 0 HA LYS A 5 -17.888 7.584 9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.846 5.217 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.153 4.767 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -18.295 4.241 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.022 5.420 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -19.020 7.155 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.005 5.796 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.613 6.332 13.311 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.845 7.579 13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.228 5.930 15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.495 5.897 13.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.301 4.690 13.892 1.00 0.00 H new ATOM 89 N ALA A 6 -15.496 7.908 8.268 1.00 0.00 N ATOM 90 CA ALA A 6 -14.065 8.137 8.124 1.00 0.00 C ATOM 91 C ALA A 6 -13.720 9.610 8.312 1.00 0.00 C ATOM 92 O ALA A 6 -14.604 10.465 8.349 1.00 0.00 O ATOM 93 CB ALA A 6 -13.591 7.654 6.762 1.00 0.00 C ATOM 0 H ALA A 6 -16.077 8.486 7.661 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.552 7.570 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.520 7.830 6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.793 6.587 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.120 8.197 5.979 1.00 0.00 H new ATOM 99 N VAL A 7 -12.429 9.898 8.423 1.00 0.00 N ATOM 100 CA VAL A 7 -11.964 11.266 8.601 1.00 0.00 C ATOM 101 C VAL A 7 -11.023 11.669 7.471 1.00 0.00 C ATOM 102 O VAL A 7 -9.803 11.602 7.615 1.00 0.00 O ATOM 103 CB VAL A 7 -11.235 11.445 9.945 1.00 0.00 C ATOM 104 CG1 VAL A 7 -10.824 12.897 10.141 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.110 10.970 11.095 1.00 0.00 C ATOM 0 H VAL A 7 -11.685 9.201 8.393 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.846 11.906 8.590 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.332 10.835 9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.310 13.004 11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.156 13.198 9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.711 13.530 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.578 11.104 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.033 11.550 11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.347 9.915 10.960 1.00 0.00 H new ATOM 115 N ILE A 8 -11.598 12.084 6.347 1.00 0.00 N ATOM 116 CA ILE A 8 -10.804 12.493 5.197 1.00 0.00 C ATOM 117 C ILE A 8 -9.815 13.587 5.588 1.00 0.00 C ATOM 118 O ILE A 8 -10.158 14.529 6.303 1.00 0.00 O ATOM 119 CB ILE A 8 -11.711 12.962 4.021 1.00 0.00 C ATOM 120 CG1 ILE A 8 -11.877 11.832 3.006 1.00 0.00 C ATOM 121 CG2 ILE A 8 -11.163 14.205 3.326 1.00 0.00 C ATOM 122 CD1 ILE A 8 -13.176 11.068 3.154 1.00 0.00 C ATOM 0 H ILE A 8 -12.607 12.145 6.209 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.240 11.625 4.855 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.680 13.225 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.823 12.248 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.043 11.137 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.831 14.492 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.093 15.022 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.173 13.990 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.224 10.282 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.225 10.622 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.016 11.750 3.021 1.00 0.00 H new ATOM 134 N LYS A 9 -8.589 13.453 5.104 1.00 0.00 N ATOM 135 CA LYS A 9 -7.541 14.425 5.386 1.00 0.00 C ATOM 136 C LYS A 9 -6.944 14.942 4.083 1.00 0.00 C ATOM 137 O LYS A 9 -6.214 15.933 4.069 1.00 0.00 O ATOM 138 CB LYS A 9 -6.446 13.796 6.250 1.00 0.00 C ATOM 139 CG LYS A 9 -6.948 12.683 7.155 1.00 0.00 C ATOM 140 CD LYS A 9 -7.734 13.234 8.333 1.00 0.00 C ATOM 141 CE LYS A 9 -7.658 12.308 9.536 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.794 12.865 10.614 1.00 0.00 N ATOM 0 H LYS A 9 -8.294 12.677 4.511 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.979 15.260 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.665 13.400 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.988 14.572 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.578 12.003 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.102 12.101 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.346 14.216 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.776 13.372 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.661 12.138 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.269 11.339 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.769 12.203 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.830 13.004 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.179 13.778 10.931 1.00 0.00 H new ATOM 156 N ASN A 10 -7.265 14.257 2.991 1.00 0.00 N ATOM 157 CA ASN A 10 -6.769 14.633 1.674 1.00 0.00 C ATOM 158 C ASN A 10 -7.365 13.727 0.605 1.00 0.00 C ATOM 159 O ASN A 10 -7.229 12.507 0.673 1.00 0.00 O ATOM 160 CB ASN A 10 -5.245 14.546 1.639 1.00 0.00 C ATOM 161 CG ASN A 10 -4.641 15.414 0.552 1.00 0.00 C ATOM 162 OD1 ASN A 10 -4.918 16.611 0.473 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.812 14.812 -0.292 1.00 0.00 N ATOM 0 H ASN A 10 -7.869 13.435 2.993 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.070 15.661 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.844 14.849 2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.947 13.510 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.375 15.344 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.612 13.817 -0.188 1.00 0.00 H new ATOM 170 N ALA A 11 -8.035 14.324 -0.373 1.00 0.00 N ATOM 171 CA ALA A 11 -8.656 13.548 -1.437 1.00 0.00 C ATOM 172 C ALA A 11 -8.711 14.319 -2.751 1.00 0.00 C ATOM 173 O ALA A 11 -9.683 15.023 -3.027 1.00 0.00 O ATOM 174 CB ALA A 11 -10.055 13.126 -1.018 1.00 0.00 C ATOM 0 H ALA A 11 -8.161 15.333 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.041 12.664 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.515 12.546 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.997 12.517 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.658 14.012 -0.820 1.00 0.00 H new ATOM 180 N ASP A 12 -7.677 14.162 -3.570 1.00 0.00 N ATOM 181 CA ASP A 12 -7.628 14.825 -4.866 1.00 0.00 C ATOM 182 C ASP A 12 -8.560 14.121 -5.842 1.00 0.00 C ATOM 183 O ASP A 12 -8.332 14.120 -7.052 1.00 0.00 O ATOM 184 CB ASP A 12 -6.198 14.835 -5.412 1.00 0.00 C ATOM 185 CG ASP A 12 -5.761 16.216 -5.860 1.00 0.00 C ATOM 186 OD1 ASP A 12 -6.157 17.204 -5.208 1.00 0.00 O ATOM 187 OD2 ASP A 12 -5.023 16.308 -6.864 1.00 0.00 O ATOM 0 H ASP A 12 -6.864 13.583 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.955 15.858 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.516 14.472 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.128 14.144 -6.252 1.00 0.00 H new ATOM 192 N MET A 13 -9.608 13.516 -5.295 1.00 0.00 N ATOM 193 CA MET A 13 -10.588 12.792 -6.094 1.00 0.00 C ATOM 194 C MET A 13 -11.948 13.482 -6.038 1.00 0.00 C ATOM 195 O MET A 13 -12.201 14.310 -5.162 1.00 0.00 O ATOM 196 CB MET A 13 -10.701 11.349 -5.588 1.00 0.00 C ATOM 197 CG MET A 13 -12.014 10.668 -5.938 1.00 0.00 C ATOM 198 SD MET A 13 -12.589 9.572 -4.628 1.00 0.00 S ATOM 199 CE MET A 13 -11.235 8.404 -4.547 1.00 0.00 C ATOM 0 H MET A 13 -9.801 13.513 -4.293 1.00 0.00 H new ATOM 0 HA MET A 13 -10.256 12.783 -7.132 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.880 10.765 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.580 11.345 -4.505 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.773 11.426 -6.133 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.890 10.097 -6.858 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.409 7.701 -3.732 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.168 7.859 -5.488 1.00 0.00 H new ATOM 0 HE3 MET A 13 -10.302 8.940 -4.371 1.00 0.00 H new ATOM 209 N SER A 14 -12.822 13.133 -6.976 1.00 0.00 N ATOM 210 CA SER A 14 -14.158 13.716 -7.032 1.00 0.00 C ATOM 211 C SER A 14 -14.904 13.494 -5.720 1.00 0.00 C ATOM 212 O SER A 14 -14.847 12.409 -5.139 1.00 0.00 O ATOM 213 CB SER A 14 -14.949 13.112 -8.193 1.00 0.00 C ATOM 214 OG SER A 14 -16.296 12.873 -7.825 1.00 0.00 O ATOM 0 H SER A 14 -12.629 12.449 -7.708 1.00 0.00 H new ATOM 0 HA SER A 14 -14.055 14.789 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.917 13.787 -9.048 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.484 12.178 -8.507 1.00 0.00 H new ATOM 0 HG SER A 14 -16.780 12.488 -8.586 1.00 0.00 H new ATOM 220 N GLU A 15 -15.602 14.527 -5.259 1.00 0.00 N ATOM 221 CA GLU A 15 -16.360 14.446 -4.015 1.00 0.00 C ATOM 222 C GLU A 15 -17.088 13.111 -3.907 1.00 0.00 C ATOM 223 O GLU A 15 -16.641 12.203 -3.206 1.00 0.00 O ATOM 224 CB GLU A 15 -17.366 15.594 -3.930 1.00 0.00 C ATOM 225 CG GLU A 15 -16.715 16.965 -3.837 1.00 0.00 C ATOM 226 CD GLU A 15 -16.748 17.715 -5.154 1.00 0.00 C ATOM 227 OE1 GLU A 15 -15.959 17.365 -6.057 1.00 0.00 O ATOM 228 OE2 GLU A 15 -17.562 18.653 -5.282 1.00 0.00 O ATOM 0 H GLU A 15 -15.659 15.431 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.657 14.525 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.012 15.566 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.004 15.444 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.224 17.554 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.680 16.851 -3.514 1.00 0.00 H new ATOM 235 N GLU A 16 -18.213 12.999 -4.606 1.00 0.00 N ATOM 236 CA GLU A 16 -19.005 11.775 -4.591 1.00 0.00 C ATOM 237 C GLU A 16 -18.103 10.547 -4.620 1.00 0.00 C ATOM 238 O GLU A 16 -18.471 9.478 -4.131 1.00 0.00 O ATOM 239 CB GLU A 16 -19.964 11.747 -5.783 1.00 0.00 C ATOM 240 CG GLU A 16 -20.344 13.129 -6.289 1.00 0.00 C ATOM 241 CD GLU A 16 -21.427 13.777 -5.450 1.00 0.00 C ATOM 242 OE1 GLU A 16 -22.026 13.076 -4.607 1.00 0.00 O ATOM 243 OE2 GLU A 16 -21.677 14.987 -5.635 1.00 0.00 O ATOM 0 H GLU A 16 -18.597 13.742 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.585 11.757 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.504 11.185 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.870 11.212 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.460 13.767 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.685 13.053 -7.321 1.00 0.00 H new ATOM 250 N MET A 17 -16.917 10.709 -5.198 1.00 0.00 N ATOM 251 CA MET A 17 -15.956 9.620 -5.296 1.00 0.00 C ATOM 252 C MET A 17 -15.286 9.364 -3.949 1.00 0.00 C ATOM 253 O MET A 17 -15.101 8.216 -3.546 1.00 0.00 O ATOM 254 CB MET A 17 -14.902 9.944 -6.354 1.00 0.00 C ATOM 255 CG MET A 17 -15.374 9.693 -7.777 1.00 0.00 C ATOM 256 SD MET A 17 -14.323 8.523 -8.659 1.00 0.00 S ATOM 257 CE MET A 17 -14.401 7.109 -7.564 1.00 0.00 C ATOM 0 H MET A 17 -16.599 11.588 -5.606 1.00 0.00 H new ATOM 0 HA MET A 17 -16.490 8.717 -5.590 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.609 10.989 -6.256 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.012 9.345 -6.164 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.396 9.314 -7.756 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.396 10.637 -8.321 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.220 6.197 -8.134 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.643 7.208 -6.787 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.388 7.059 -7.103 1.00 0.00 H new ATOM 267 N GLN A 18 -14.924 10.441 -3.258 1.00 0.00 N ATOM 268 CA GLN A 18 -14.274 10.331 -1.955 1.00 0.00 C ATOM 269 C GLN A 18 -15.213 9.704 -0.930 1.00 0.00 C ATOM 270 O GLN A 18 -14.776 8.984 -0.033 1.00 0.00 O ATOM 271 CB GLN A 18 -13.811 11.705 -1.465 1.00 0.00 C ATOM 272 CG GLN A 18 -14.020 12.823 -2.474 1.00 0.00 C ATOM 273 CD GLN A 18 -12.802 13.712 -2.617 1.00 0.00 C ATOM 274 OE1 GLN A 18 -11.717 13.150 -3.139 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -12.833 14.891 -2.262 1.00 0.00 N flip ATOM 0 H GLN A 18 -15.069 11.399 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.403 9.686 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.346 11.952 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.752 11.651 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.266 12.391 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.874 13.428 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.688 15.282 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.004 15.476 -2.364 1.00 0.00 H new ATOM 284 N GLN A 19 -16.506 9.973 -1.075 1.00 0.00 N ATOM 285 CA GLN A 19 -17.503 9.425 -0.167 1.00 0.00 C ATOM 286 C GLN A 19 -17.748 7.963 -0.497 1.00 0.00 C ATOM 287 O GLN A 19 -17.845 7.116 0.393 1.00 0.00 O ATOM 288 CB GLN A 19 -18.810 10.215 -0.265 1.00 0.00 C ATOM 289 CG GLN A 19 -18.663 11.680 0.109 1.00 0.00 C ATOM 290 CD GLN A 19 -19.900 12.492 -0.221 1.00 0.00 C ATOM 291 OE1 GLN A 19 -20.253 13.419 0.659 1.00 0.00 O flip ATOM 292 NE2 GLN A 19 -20.533 12.286 -1.257 1.00 0.00 N flip ATOM 0 H GLN A 19 -16.886 10.567 -1.812 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.130 9.504 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -19.192 10.145 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -19.553 9.755 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.454 11.760 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.806 12.101 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.226 11.562 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -21.364 12.839 -1.465 1.00 0.00 H new ATOM 301 N ASP A 20 -17.826 7.673 -1.788 1.00 0.00 N ATOM 302 CA ASP A 20 -18.037 6.313 -2.249 1.00 0.00 C ATOM 303 C ASP A 20 -16.785 5.486 -1.995 1.00 0.00 C ATOM 304 O ASP A 20 -16.857 4.281 -1.749 1.00 0.00 O ATOM 305 CB ASP A 20 -18.387 6.302 -3.739 1.00 0.00 C ATOM 306 CG ASP A 20 -19.877 6.160 -3.981 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.615 5.901 -3.008 1.00 0.00 O ATOM 308 OD2 ASP A 20 -20.305 6.309 -5.145 1.00 0.00 O ATOM 0 H ASP A 20 -17.746 8.364 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.870 5.877 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.033 7.224 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.862 5.480 -4.227 1.00 0.00 H new ATOM 313 N SER A 21 -15.637 6.153 -2.043 1.00 0.00 N ATOM 314 CA SER A 21 -14.359 5.498 -1.806 1.00 0.00 C ATOM 315 C SER A 21 -14.266 5.040 -0.357 1.00 0.00 C ATOM 316 O SER A 21 -13.859 3.912 -0.077 1.00 0.00 O ATOM 317 CB SER A 21 -13.205 6.447 -2.134 1.00 0.00 C ATOM 318 OG SER A 21 -11.966 5.916 -1.697 1.00 0.00 O ATOM 0 H SER A 21 -15.567 7.150 -2.245 1.00 0.00 H new ATOM 0 HA SER A 21 -14.288 4.626 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.170 6.623 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.378 7.412 -1.659 1.00 0.00 H new ATOM 0 HG SER A 21 -12.002 4.937 -1.724 1.00 0.00 H new ATOM 324 N VAL A 22 -14.658 5.919 0.561 1.00 0.00 N ATOM 325 CA VAL A 22 -14.633 5.595 1.980 1.00 0.00 C ATOM 326 C VAL A 22 -15.524 4.396 2.262 1.00 0.00 C ATOM 327 O VAL A 22 -15.124 3.460 2.953 1.00 0.00 O ATOM 328 CB VAL A 22 -15.093 6.785 2.843 1.00 0.00 C ATOM 329 CG1 VAL A 22 -14.981 6.448 4.323 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.287 8.029 2.510 1.00 0.00 C ATOM 0 H VAL A 22 -14.995 6.857 0.347 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.602 5.359 2.242 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.140 6.988 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.310 7.301 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.608 5.585 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.944 6.216 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.626 8.859 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.231 7.841 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.425 8.281 1.459 1.00 0.00 H new ATOM 340 N GLU A 23 -16.734 4.424 1.709 1.00 0.00 N ATOM 341 CA GLU A 23 -17.675 3.327 1.891 1.00 0.00 C ATOM 342 C GLU A 23 -17.039 2.015 1.453 1.00 0.00 C ATOM 343 O GLU A 23 -17.200 0.986 2.108 1.00 0.00 O ATOM 344 CB GLU A 23 -18.957 3.579 1.094 1.00 0.00 C ATOM 345 CG GLU A 23 -19.633 4.899 1.428 1.00 0.00 C ATOM 346 CD GLU A 23 -21.055 4.718 1.922 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.572 3.584 1.839 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.650 5.709 2.394 1.00 0.00 O ATOM 0 H GLU A 23 -17.083 5.191 1.134 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.931 3.264 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.723 3.560 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.657 2.765 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.051 5.418 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.638 5.534 0.542 1.00 0.00 H new ATOM 355 N CYS A 24 -16.304 2.063 0.347 1.00 0.00 N ATOM 356 CA CYS A 24 -15.630 0.879 -0.171 1.00 0.00 C ATOM 357 C CYS A 24 -14.541 0.432 0.796 1.00 0.00 C ATOM 358 O CYS A 24 -14.350 -0.764 1.029 1.00 0.00 O ATOM 359 CB CYS A 24 -15.027 1.162 -1.548 1.00 0.00 C ATOM 360 SG CYS A 24 -15.065 -0.252 -2.676 1.00 0.00 S ATOM 0 H CYS A 24 -16.160 2.907 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.364 0.080 -0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.566 1.992 -2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.993 1.484 -1.421 1.00 0.00 H new ATOM 0 HG CYS A 24 -14.535 0.086 -3.814 1.00 0.00 H new ATOM 366 N ALA A 25 -13.849 1.405 1.386 1.00 0.00 N ATOM 367 CA ALA A 25 -12.808 1.108 2.353 1.00 0.00 C ATOM 368 C ALA A 25 -13.459 0.543 3.595 1.00 0.00 C ATOM 369 O ALA A 25 -12.867 -0.241 4.335 1.00 0.00 O ATOM 370 CB ALA A 25 -12.006 2.360 2.681 1.00 0.00 C ATOM 0 H ALA A 25 -13.993 2.399 1.209 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.113 0.377 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.231 2.116 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.543 2.744 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.669 3.118 3.099 1.00 0.00 H new ATOM 376 N THR A 26 -14.709 0.943 3.786 1.00 0.00 N ATOM 377 CA THR A 26 -15.504 0.486 4.907 1.00 0.00 C ATOM 378 C THR A 26 -15.934 -0.955 4.680 1.00 0.00 C ATOM 379 O THR A 26 -15.922 -1.774 5.600 1.00 0.00 O ATOM 380 CB THR A 26 -16.730 1.380 5.070 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.425 2.719 4.720 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.277 1.388 6.474 1.00 0.00 C ATOM 0 H THR A 26 -15.195 1.592 3.167 1.00 0.00 H new ATOM 0 HA THR A 26 -14.906 0.537 5.817 1.00 0.00 H new ATOM 0 HB THR A 26 -17.485 0.961 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.559 2.748 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.147 2.043 6.522 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.568 0.376 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.512 1.751 7.160 1.00 0.00 H new ATOM 390 N GLN A 27 -16.299 -1.261 3.437 1.00 0.00 N ATOM 391 CA GLN A 27 -16.714 -2.607 3.075 1.00 0.00 C ATOM 392 C GLN A 27 -15.611 -3.595 3.420 1.00 0.00 C ATOM 393 O GLN A 27 -15.864 -4.660 3.987 1.00 0.00 O ATOM 394 CB GLN A 27 -17.045 -2.682 1.583 1.00 0.00 C ATOM 395 CG GLN A 27 -17.879 -1.511 1.086 1.00 0.00 C ATOM 396 CD GLN A 27 -18.873 -1.910 0.012 1.00 0.00 C ATOM 397 OE1 GLN A 27 -19.297 -3.063 -0.059 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.250 -0.954 -0.831 1.00 0.00 N ATOM 0 H GLN A 27 -16.315 -0.593 2.666 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.611 -2.863 3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.116 -2.723 1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.581 -3.610 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.416 -1.071 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.216 -0.740 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.873 -0.011 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.917 -1.163 -1.574 1.00 0.00 H new ATOM 407 N ALA A 28 -14.382 -3.221 3.084 1.00 0.00 N ATOM 408 CA ALA A 28 -13.224 -4.059 3.364 1.00 0.00 C ATOM 409 C ALA A 28 -12.804 -3.921 4.823 1.00 0.00 C ATOM 410 O ALA A 28 -12.139 -4.796 5.377 1.00 0.00 O ATOM 411 CB ALA A 28 -12.071 -3.695 2.441 1.00 0.00 C ATOM 0 H ALA A 28 -14.162 -2.341 2.617 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.498 -5.098 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.213 -4.330 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.374 -3.843 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.799 -2.651 2.594 1.00 0.00 H new ATOM 417 N LEU A 29 -13.201 -2.813 5.442 1.00 0.00 N ATOM 418 CA LEU A 29 -12.872 -2.555 6.837 1.00 0.00 C ATOM 419 C LEU A 29 -13.693 -3.441 7.767 1.00 0.00 C ATOM 420 O LEU A 29 -13.169 -4.005 8.728 1.00 0.00 O ATOM 421 CB LEU A 29 -13.114 -1.089 7.175 1.00 0.00 C ATOM 422 CG LEU A 29 -11.964 -0.160 6.804 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.485 1.227 6.490 1.00 0.00 C ATOM 424 CD2 LEU A 29 -10.938 -0.110 7.924 1.00 0.00 C ATOM 0 H LEU A 29 -13.752 -2.079 4.997 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.817 -2.788 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.016 -0.754 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.305 -1.002 8.245 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.475 -0.551 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.651 1.878 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.181 1.173 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.998 1.629 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.124 0.558 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.411 0.258 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.542 -1.110 8.100 1.00 0.00 H new ATOM 436 N GLU A 30 -14.985 -3.553 7.476 1.00 0.00 N ATOM 437 CA GLU A 30 -15.885 -4.364 8.287 1.00 0.00 C ATOM 438 C GLU A 30 -15.784 -5.840 7.910 1.00 0.00 C ATOM 439 O GLU A 30 -15.993 -6.719 8.747 1.00 0.00 O ATOM 440 CB GLU A 30 -17.326 -3.880 8.123 1.00 0.00 C ATOM 441 CG GLU A 30 -17.888 -4.107 6.730 1.00 0.00 C ATOM 442 CD GLU A 30 -19.170 -4.917 6.743 1.00 0.00 C ATOM 443 OE1 GLU A 30 -19.565 -5.385 7.832 1.00 0.00 O ATOM 444 OE2 GLU A 30 -19.777 -5.085 5.665 1.00 0.00 O ATOM 0 H GLU A 30 -15.432 -3.092 6.684 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.588 -4.256 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.958 -4.392 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.372 -2.816 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.076 -3.143 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -17.144 -4.621 6.121 1.00 0.00 H new ATOM 451 N LYS A 31 -15.460 -6.108 6.649 1.00 0.00 N ATOM 452 CA LYS A 31 -15.331 -7.479 6.172 1.00 0.00 C ATOM 453 C LYS A 31 -14.003 -8.083 6.616 1.00 0.00 C ATOM 454 O LYS A 31 -13.924 -9.270 6.935 1.00 0.00 O ATOM 455 CB LYS A 31 -15.448 -7.528 4.649 1.00 0.00 C ATOM 456 CG LYS A 31 -16.881 -7.638 4.154 1.00 0.00 C ATOM 457 CD LYS A 31 -17.069 -6.918 2.829 1.00 0.00 C ATOM 458 CE LYS A 31 -17.732 -7.816 1.796 1.00 0.00 C ATOM 459 NZ LYS A 31 -16.990 -9.094 1.616 1.00 0.00 N ATOM 0 H LYS A 31 -15.283 -5.395 5.941 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.140 -8.067 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.995 -6.630 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.877 -8.378 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.148 -8.689 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.557 -7.216 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.677 -6.026 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.101 -6.584 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.755 -8.030 2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.789 -7.292 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.261 -9.528 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.967 -8.905 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.222 -9.743 2.395 1.00 0.00 H new ATOM 473 N TYR A 32 -12.963 -7.256 6.640 1.00 0.00 N ATOM 474 CA TYR A 32 -11.638 -7.702 7.051 1.00 0.00 C ATOM 475 C TYR A 32 -10.853 -6.558 7.682 1.00 0.00 C ATOM 476 O TYR A 32 -11.071 -5.390 7.358 1.00 0.00 O ATOM 477 CB TYR A 32 -10.856 -8.271 5.863 1.00 0.00 C ATOM 478 CG TYR A 32 -11.661 -8.402 4.587 1.00 0.00 C ATOM 479 CD1 TYR A 32 -12.350 -7.317 4.057 1.00 0.00 C ATOM 480 CD2 TYR A 32 -11.721 -9.611 3.907 1.00 0.00 C ATOM 481 CE1 TYR A 32 -13.077 -7.435 2.888 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.446 -9.738 2.737 1.00 0.00 C ATOM 483 CZ TYR A 32 -13.121 -8.647 2.232 1.00 0.00 C ATOM 484 OH TYR A 32 -13.844 -8.770 1.067 1.00 0.00 O ATOM 0 H TYR A 32 -13.013 -6.271 6.379 1.00 0.00 H new ATOM 0 HA TYR A 32 -11.772 -8.490 7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.995 -7.631 5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.469 -9.253 6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.316 -6.366 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.192 -10.467 4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.608 -6.583 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.483 -10.686 2.221 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.770 -9.688 0.732 1.00 0.00 H new ATOM 494 N ASN A 33 -9.937 -6.898 8.584 1.00 0.00 N ATOM 495 CA ASN A 33 -9.121 -5.895 9.259 1.00 0.00 C ATOM 496 C ASN A 33 -7.634 -6.203 9.105 1.00 0.00 C ATOM 497 O ASN A 33 -6.843 -5.960 10.016 1.00 0.00 O ATOM 498 CB ASN A 33 -9.486 -5.821 10.742 1.00 0.00 C ATOM 499 CG ASN A 33 -10.966 -6.041 10.987 1.00 0.00 C ATOM 500 OD1 ASN A 33 -11.776 -5.128 10.825 1.00 0.00 O ATOM 501 ND2 ASN A 33 -11.327 -7.258 11.381 1.00 0.00 N ATOM 0 H ASN A 33 -9.742 -7.859 8.864 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.323 -4.930 8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.915 -6.569 11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.197 -4.847 11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.309 -7.465 11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.622 -7.985 11.502 1.00 0.00 H new ATOM 508 N ILE A 34 -7.260 -6.737 7.947 1.00 0.00 N ATOM 509 CA ILE A 34 -5.867 -7.073 7.680 1.00 0.00 C ATOM 510 C ILE A 34 -5.186 -5.981 6.864 1.00 0.00 C ATOM 511 O ILE A 34 -4.298 -6.261 6.059 1.00 0.00 O ATOM 512 CB ILE A 34 -5.743 -8.407 6.920 1.00 0.00 C ATOM 513 CG1 ILE A 34 -6.506 -9.510 7.651 1.00 0.00 C ATOM 514 CG2 ILE A 34 -4.278 -8.786 6.752 1.00 0.00 C ATOM 515 CD1 ILE A 34 -6.104 -9.657 9.098 1.00 0.00 C ATOM 0 H ILE A 34 -7.900 -6.946 7.181 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.376 -7.166 8.649 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.182 -8.286 5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.574 -9.300 7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.342 -10.457 7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.206 -9.731 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.763 -8.007 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.815 -8.892 7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.684 -10.457 9.557 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.043 -9.898 9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.294 -8.722 9.625 1.00 0.00 H new ATOM 527 N GLU A 35 -5.607 -4.739 7.070 1.00 0.00 N ATOM 528 CA GLU A 35 -5.032 -3.614 6.341 1.00 0.00 C ATOM 529 C GLU A 35 -4.814 -3.985 4.878 1.00 0.00 C ATOM 530 O GLU A 35 -5.680 -3.752 4.035 1.00 0.00 O ATOM 531 CB GLU A 35 -3.709 -3.185 6.976 1.00 0.00 C ATOM 532 CG GLU A 35 -3.881 -2.423 8.280 1.00 0.00 C ATOM 533 CD GLU A 35 -3.657 -3.297 9.499 1.00 0.00 C ATOM 534 OE1 GLU A 35 -2.716 -4.118 9.476 1.00 0.00 O ATOM 535 OE2 GLU A 35 -4.423 -3.161 10.476 1.00 0.00 O ATOM 0 H GLU A 35 -6.340 -4.486 7.732 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.731 -2.779 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.099 -4.070 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.161 -2.561 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.182 -1.587 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.885 -2.000 8.320 1.00 0.00 H new ATOM 542 N LYS A 36 -3.662 -4.579 4.585 1.00 0.00 N ATOM 543 CA LYS A 36 -3.349 -4.994 3.223 1.00 0.00 C ATOM 544 C LYS A 36 -4.566 -5.643 2.575 1.00 0.00 C ATOM 545 O LYS A 36 -4.969 -5.269 1.474 1.00 0.00 O ATOM 546 CB LYS A 36 -2.168 -5.967 3.218 1.00 0.00 C ATOM 547 CG LYS A 36 -1.742 -6.420 4.606 1.00 0.00 C ATOM 548 CD LYS A 36 -0.562 -7.377 4.543 1.00 0.00 C ATOM 549 CE LYS A 36 0.710 -6.726 5.061 1.00 0.00 C ATOM 550 NZ LYS A 36 1.266 -5.745 4.090 1.00 0.00 N ATOM 0 H LYS A 36 -2.933 -4.783 5.269 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.074 -4.110 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.433 -6.843 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.320 -5.492 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.475 -5.551 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.580 -6.907 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.782 -8.267 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.412 -7.704 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.502 -6.224 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.454 -7.496 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.018 -5.191 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.659 -6.252 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.510 -5.106 3.771 1.00 0.00 H new ATOM 564 N ASP A 37 -5.154 -6.611 3.272 1.00 0.00 N ATOM 565 CA ASP A 37 -6.335 -7.304 2.772 1.00 0.00 C ATOM 566 C ASP A 37 -7.424 -6.301 2.411 1.00 0.00 C ATOM 567 O ASP A 37 -7.930 -6.295 1.290 1.00 0.00 O ATOM 568 CB ASP A 37 -6.855 -8.292 3.820 1.00 0.00 C ATOM 569 CG ASP A 37 -7.181 -9.648 3.226 1.00 0.00 C ATOM 570 OD1 ASP A 37 -7.022 -9.812 1.998 1.00 0.00 O ATOM 571 OD2 ASP A 37 -7.592 -10.547 3.989 1.00 0.00 O ATOM 0 H ASP A 37 -4.831 -6.933 4.185 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.058 -7.858 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.107 -8.412 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.748 -7.881 4.291 1.00 0.00 H new ATOM 576 N ILE A 38 -7.772 -5.449 3.368 1.00 0.00 N ATOM 577 CA ILE A 38 -8.793 -4.434 3.151 1.00 0.00 C ATOM 578 C ILE A 38 -8.463 -3.586 1.928 1.00 0.00 C ATOM 579 O ILE A 38 -9.239 -3.527 0.974 1.00 0.00 O ATOM 580 CB ILE A 38 -8.938 -3.512 4.379 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.301 -4.331 5.621 1.00 0.00 C ATOM 582 CG2 ILE A 38 -9.987 -2.441 4.119 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.475 -3.978 6.839 1.00 0.00 C ATOM 0 H ILE A 38 -7.361 -5.442 4.302 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.735 -4.957 2.988 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.982 -3.020 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.356 -4.180 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.172 -5.390 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.077 -1.799 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.689 -1.841 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.948 -2.914 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.786 -4.596 7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.421 -4.156 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.623 -2.927 7.087 1.00 0.00 H new ATOM 595 N ALA A 39 -7.304 -2.935 1.959 1.00 0.00 N ATOM 596 CA ALA A 39 -6.872 -2.096 0.848 1.00 0.00 C ATOM 597 C ALA A 39 -7.016 -2.836 -0.476 1.00 0.00 C ATOM 598 O ALA A 39 -7.433 -2.258 -1.479 1.00 0.00 O ATOM 599 CB ALA A 39 -5.433 -1.645 1.051 1.00 0.00 C ATOM 0 H ALA A 39 -6.649 -2.973 2.740 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.512 -1.214 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.126 -1.020 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.358 -1.074 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.783 -2.518 1.109 1.00 0.00 H new ATOM 605 N ALA A 40 -6.672 -4.121 -0.469 1.00 0.00 N ATOM 606 CA ALA A 40 -6.766 -4.943 -1.668 1.00 0.00 C ATOM 607 C ALA A 40 -8.173 -4.890 -2.252 1.00 0.00 C ATOM 608 O ALA A 40 -8.388 -4.348 -3.336 1.00 0.00 O ATOM 609 CB ALA A 40 -6.376 -6.380 -1.357 1.00 0.00 C ATOM 0 H ALA A 40 -6.326 -4.614 0.354 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.073 -4.545 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.451 -6.982 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.351 -6.407 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.046 -6.783 -0.597 1.00 0.00 H new ATOM 615 N HIS A 41 -9.126 -5.457 -1.522 1.00 0.00 N ATOM 616 CA HIS A 41 -10.518 -5.477 -1.958 1.00 0.00 C ATOM 617 C HIS A 41 -10.968 -4.087 -2.393 1.00 0.00 C ATOM 618 O HIS A 41 -11.597 -3.925 -3.439 1.00 0.00 O ATOM 619 CB HIS A 41 -11.412 -5.989 -0.828 1.00 0.00 C ATOM 620 CG HIS A 41 -10.675 -6.807 0.186 1.00 0.00 C ATOM 621 ND1 HIS A 41 -10.883 -6.693 1.545 1.00 0.00 N ATOM 622 CD2 HIS A 41 -9.720 -7.755 0.033 1.00 0.00 C ATOM 623 CE1 HIS A 41 -10.087 -7.534 2.182 1.00 0.00 C ATOM 624 NE2 HIS A 41 -9.373 -8.189 1.287 1.00 0.00 N ATOM 0 H HIS A 41 -8.960 -5.910 -0.623 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.602 -6.148 -2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.878 -5.139 -0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -12.216 -6.589 -1.254 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.547 -6.059 1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.308 -8.104 -0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.031 -7.663 3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -8.675 -8.903 1.494 1.00 0.00 H new ATOM 633 N ILE A 42 -10.636 -3.087 -1.585 1.00 0.00 N ATOM 634 CA ILE A 42 -10.998 -1.708 -1.881 1.00 0.00 C ATOM 635 C ILE A 42 -10.609 -1.336 -3.307 1.00 0.00 C ATOM 636 O ILE A 42 -11.410 -0.781 -4.058 1.00 0.00 O ATOM 637 CB ILE A 42 -10.315 -0.729 -0.907 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.809 -0.962 0.522 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.569 0.709 -1.333 1.00 0.00 C ATOM 640 CD1 ILE A 42 -9.867 -0.429 1.581 1.00 0.00 C ATOM 0 H ILE A 42 -10.115 -3.207 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.079 -1.631 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.241 -0.910 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.784 -0.489 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.952 -2.031 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.080 1.387 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.168 0.868 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.642 0.903 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.280 -0.629 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.898 -0.920 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.743 0.646 1.450 1.00 0.00 H new ATOM 652 N LYS A 43 -9.368 -1.645 -3.671 1.00 0.00 N ATOM 653 CA LYS A 43 -8.862 -1.342 -5.004 1.00 0.00 C ATOM 654 C LYS A 43 -9.581 -2.170 -6.066 1.00 0.00 C ATOM 655 O LYS A 43 -10.208 -1.623 -6.974 1.00 0.00 O ATOM 656 CB LYS A 43 -7.356 -1.603 -5.067 1.00 0.00 C ATOM 657 CG LYS A 43 -6.734 -1.256 -6.408 1.00 0.00 C ATOM 658 CD LYS A 43 -6.598 -2.484 -7.292 1.00 0.00 C ATOM 659 CE LYS A 43 -6.596 -2.111 -8.766 1.00 0.00 C ATOM 660 NZ LYS A 43 -6.284 -3.279 -9.634 1.00 0.00 N ATOM 0 H LYS A 43 -8.694 -2.106 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.052 -0.288 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.863 -1.024 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.169 -2.655 -4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.347 -0.509 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.752 -0.809 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.675 -3.010 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.419 -3.172 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.570 -1.706 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.863 -1.323 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.406 -3.096 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.163 -4.127 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.064 -3.431 -10.305 1.00 0.00 H new ATOM 674 N LYS A 44 -9.487 -3.490 -5.949 1.00 0.00 N ATOM 675 CA LYS A 44 -10.129 -4.392 -6.901 1.00 0.00 C ATOM 676 C LYS A 44 -11.511 -3.880 -7.291 1.00 0.00 C ATOM 677 O LYS A 44 -11.797 -3.663 -8.469 1.00 0.00 O ATOM 678 CB LYS A 44 -10.245 -5.797 -6.305 1.00 0.00 C ATOM 679 CG LYS A 44 -10.232 -6.905 -7.346 1.00 0.00 C ATOM 680 CD LYS A 44 -11.057 -8.100 -6.895 1.00 0.00 C ATOM 681 CE LYS A 44 -11.932 -8.630 -8.020 1.00 0.00 C ATOM 682 NZ LYS A 44 -12.181 -7.599 -9.063 1.00 0.00 N ATOM 0 H LYS A 44 -8.972 -3.960 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.510 -4.433 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.422 -5.956 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.168 -5.863 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.625 -6.525 -8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.205 -7.219 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.393 -8.891 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.683 -7.813 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.453 -9.497 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.884 -8.969 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.992 -7.886 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.388 -6.687 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.338 -7.502 -9.664 1.00 0.00 H new ATOM 696 N GLU A 45 -12.364 -3.696 -6.292 1.00 0.00 N ATOM 697 CA GLU A 45 -13.723 -3.217 -6.521 1.00 0.00 C ATOM 698 C GLU A 45 -13.721 -1.835 -7.167 1.00 0.00 C ATOM 699 O GLU A 45 -14.554 -1.541 -8.025 1.00 0.00 O ATOM 700 CB GLU A 45 -14.499 -3.176 -5.202 1.00 0.00 C ATOM 701 CG GLU A 45 -15.977 -2.867 -5.376 1.00 0.00 C ATOM 702 CD GLU A 45 -16.850 -4.095 -5.216 1.00 0.00 C ATOM 703 OE1 GLU A 45 -16.878 -4.662 -4.103 1.00 0.00 O ATOM 704 OE2 GLU A 45 -17.505 -4.491 -6.204 1.00 0.00 O ATOM 0 H GLU A 45 -12.139 -3.871 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.212 -3.911 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.394 -4.137 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.053 -2.424 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.276 -2.115 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.141 -2.435 -6.363 1.00 0.00 H new ATOM 711 N PHE A 46 -12.788 -0.988 -6.746 1.00 0.00 N ATOM 712 CA PHE A 46 -12.690 0.366 -7.284 1.00 0.00 C ATOM 713 C PHE A 46 -12.224 0.347 -8.737 1.00 0.00 C ATOM 714 O PHE A 46 -12.540 1.251 -9.509 1.00 0.00 O ATOM 715 CB PHE A 46 -11.734 1.207 -6.438 1.00 0.00 C ATOM 716 CG PHE A 46 -12.406 2.364 -5.758 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.965 3.392 -6.501 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.482 2.421 -4.377 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.588 4.457 -5.876 1.00 0.00 C ATOM 720 CE2 PHE A 46 -13.103 3.482 -3.747 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.656 4.501 -4.497 1.00 0.00 C ATOM 0 H PHE A 46 -12.091 -1.213 -6.036 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.683 0.814 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.271 0.570 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.932 1.583 -7.074 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.914 3.361 -7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.051 1.627 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.020 5.252 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.156 3.514 -2.669 1.00 0.00 H new ATOM 0 HZ PHE A 46 -14.141 5.332 -4.006 1.00 0.00 H new ATOM 731 N ASP A 47 -11.478 -0.688 -9.103 1.00 0.00 N ATOM 732 CA ASP A 47 -10.980 -0.820 -10.465 1.00 0.00 C ATOM 733 C ASP A 47 -11.973 -1.596 -11.321 1.00 0.00 C ATOM 734 O ASP A 47 -11.882 -1.606 -12.547 1.00 0.00 O ATOM 735 CB ASP A 47 -9.614 -1.517 -10.471 1.00 0.00 C ATOM 736 CG ASP A 47 -9.704 -2.980 -10.863 1.00 0.00 C ATOM 737 OD1 ASP A 47 -10.718 -3.625 -10.521 1.00 0.00 O ATOM 738 OD2 ASP A 47 -8.762 -3.480 -11.513 1.00 0.00 O ATOM 0 H ASP A 47 -11.206 -1.446 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.862 0.178 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.950 -1.000 -11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.166 -1.438 -9.481 1.00 0.00 H new ATOM 743 N LYS A 48 -12.924 -2.245 -10.662 1.00 0.00 N ATOM 744 CA LYS A 48 -13.937 -3.024 -11.354 1.00 0.00 C ATOM 745 C LYS A 48 -15.307 -2.364 -11.220 1.00 0.00 C ATOM 746 O LYS A 48 -16.272 -2.777 -11.863 1.00 0.00 O ATOM 747 CB LYS A 48 -13.959 -4.458 -10.802 1.00 0.00 C ATOM 748 CG LYS A 48 -15.344 -5.085 -10.714 1.00 0.00 C ATOM 749 CD LYS A 48 -15.628 -5.983 -11.907 1.00 0.00 C ATOM 750 CE LYS A 48 -16.716 -5.402 -12.796 1.00 0.00 C ATOM 751 NZ LYS A 48 -17.733 -4.649 -12.009 1.00 0.00 N ATOM 0 H LYS A 48 -13.013 -2.246 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.690 -3.064 -12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.330 -5.086 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.512 -4.457 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.424 -5.665 -9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.097 -4.299 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.715 -6.117 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.931 -6.970 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.266 -4.740 -13.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.205 -6.207 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.608 -4.562 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.934 -5.158 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.368 -3.701 -11.787 1.00 0.00 H new ATOM 765 N LYS A 49 -15.381 -1.341 -10.378 1.00 0.00 N ATOM 766 CA LYS A 49 -16.630 -0.627 -10.153 1.00 0.00 C ATOM 767 C LYS A 49 -16.609 0.746 -10.819 1.00 0.00 C ATOM 768 O LYS A 49 -17.659 1.321 -11.109 1.00 0.00 O ATOM 769 CB LYS A 49 -16.887 -0.474 -8.655 1.00 0.00 C ATOM 770 CG LYS A 49 -18.363 -0.461 -8.289 1.00 0.00 C ATOM 771 CD LYS A 49 -18.823 0.927 -7.874 1.00 0.00 C ATOM 772 CE LYS A 49 -19.722 0.873 -6.648 1.00 0.00 C ATOM 773 NZ LYS A 49 -21.165 0.870 -7.016 1.00 0.00 N ATOM 0 H LYS A 49 -14.590 -0.987 -9.840 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.435 -1.210 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.397 -1.291 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.427 0.452 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.953 -0.801 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.543 -1.163 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.955 1.551 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.359 1.396 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.493 -0.022 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.513 1.729 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.743 0.833 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.390 1.736 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.371 0.039 -7.607 1.00 0.00 H new ATOM 787 N TYR A 50 -15.410 1.271 -11.054 1.00 0.00 N ATOM 788 CA TYR A 50 -15.263 2.581 -11.678 1.00 0.00 C ATOM 789 C TYR A 50 -14.404 2.508 -12.937 1.00 0.00 C ATOM 790 O TYR A 50 -14.874 2.808 -14.035 1.00 0.00 O ATOM 791 CB TYR A 50 -14.637 3.572 -10.695 1.00 0.00 C ATOM 792 CG TYR A 50 -15.392 3.701 -9.393 1.00 0.00 C ATOM 793 CD1 TYR A 50 -15.480 2.632 -8.510 1.00 0.00 C ATOM 794 CD2 TYR A 50 -16.013 4.894 -9.044 1.00 0.00 C ATOM 795 CE1 TYR A 50 -16.166 2.747 -7.318 1.00 0.00 C ATOM 796 CE2 TYR A 50 -16.701 5.016 -7.852 1.00 0.00 C ATOM 797 CZ TYR A 50 -16.775 3.940 -6.992 1.00 0.00 C ATOM 798 OH TYR A 50 -17.459 4.058 -5.805 1.00 0.00 O ATOM 0 H TYR A 50 -14.529 0.811 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 50 -16.260 2.922 -11.959 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -13.615 3.260 -10.482 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -14.579 4.552 -11.169 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.004 1.696 -8.761 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -15.957 5.739 -9.715 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -16.225 1.906 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -17.179 5.950 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.056 3.467 -5.135 1.00 0.00 H new ATOM 808 N ASN A 51 -13.143 2.116 -12.759 1.00 0.00 N ATOM 809 CA ASN A 51 -12.194 2.009 -13.860 1.00 0.00 C ATOM 810 C ASN A 51 -10.766 2.125 -13.331 1.00 0.00 C ATOM 811 O ASN A 51 -10.410 3.120 -12.700 1.00 0.00 O ATOM 812 CB ASN A 51 -12.444 3.096 -14.907 1.00 0.00 C ATOM 813 CG ASN A 51 -11.180 3.489 -15.645 1.00 0.00 C ATOM 814 OD1 ASN A 51 -10.403 2.634 -16.069 1.00 0.00 O ATOM 815 ND2 ASN A 51 -10.966 4.791 -15.803 1.00 0.00 N ATOM 0 H ASN A 51 -12.754 1.865 -11.850 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.330 1.036 -14.332 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.185 2.743 -15.624 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.866 3.975 -14.420 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.131 5.115 -16.292 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.636 5.466 -15.436 1.00 0.00 H new ATOM 822 N PRO A 52 -9.926 1.105 -13.574 1.00 0.00 N ATOM 823 CA PRO A 52 -8.535 1.099 -13.112 1.00 0.00 C ATOM 824 C PRO A 52 -7.701 2.225 -13.733 1.00 0.00 C ATOM 825 O PRO A 52 -8.173 2.921 -14.632 1.00 0.00 O ATOM 826 CB PRO A 52 -8.010 -0.267 -13.562 1.00 0.00 C ATOM 827 CG PRO A 52 -8.920 -0.683 -14.665 1.00 0.00 C ATOM 828 CD PRO A 52 -10.265 -0.122 -14.312 1.00 0.00 C ATOM 0 HA PRO A 52 -8.469 1.262 -12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.978 -0.200 -13.906 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.027 -0.986 -12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.574 -0.298 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.959 -1.769 -14.752 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.859 0.092 -15.200 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.844 -0.814 -13.701 1.00 0.00 H new ATOM 836 N THR A 53 -6.458 2.409 -13.259 1.00 0.00 N ATOM 837 CA THR A 53 -5.887 1.588 -12.192 1.00 0.00 C ATOM 838 C THR A 53 -5.920 2.337 -10.868 1.00 0.00 C ATOM 839 O THR A 53 -5.567 3.513 -10.801 1.00 0.00 O ATOM 840 CB THR A 53 -4.451 1.186 -12.534 1.00 0.00 C ATOM 841 OG1 THR A 53 -4.427 0.304 -13.642 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.733 0.505 -11.389 1.00 0.00 C ATOM 0 H THR A 53 -5.826 3.130 -13.607 1.00 0.00 H new ATOM 0 HA THR A 53 -6.489 0.684 -12.097 1.00 0.00 H new ATOM 0 HB THR A 53 -3.936 2.119 -12.762 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.500 0.060 -13.846 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.720 0.246 -11.697 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.691 1.179 -10.534 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.270 -0.401 -11.110 1.00 0.00 H new ATOM 850 N TRP A 54 -6.362 1.654 -9.819 1.00 0.00 N ATOM 851 CA TRP A 54 -6.459 2.267 -8.503 1.00 0.00 C ATOM 852 C TRP A 54 -5.340 1.813 -7.574 1.00 0.00 C ATOM 853 O TRP A 54 -4.968 0.640 -7.547 1.00 0.00 O ATOM 854 CB TRP A 54 -7.812 1.943 -7.873 1.00 0.00 C ATOM 855 CG TRP A 54 -8.967 2.501 -8.640 1.00 0.00 C ATOM 856 CD1 TRP A 54 -9.449 2.054 -9.836 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.781 3.618 -8.270 1.00 0.00 C ATOM 858 NE1 TRP A 54 -10.514 2.823 -10.231 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.740 3.791 -9.285 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.795 4.487 -7.174 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -11.700 4.798 -9.239 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -10.748 5.486 -7.129 1.00 0.00 C ATOM 863 CH2 TRP A 54 -11.690 5.635 -8.154 1.00 0.00 C ATOM 0 H TRP A 54 -6.658 0.678 -9.855 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.361 3.344 -8.639 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.922 0.861 -7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.836 2.336 -6.856 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.050 1.217 -10.390 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -11.051 2.696 -11.089 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -9.074 4.379 -6.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -12.426 4.915 -10.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.767 6.164 -6.288 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -12.423 6.425 -8.088 1.00 0.00 H new ATOM 874 N HIS A 55 -4.831 2.760 -6.798 1.00 0.00 N ATOM 875 CA HIS A 55 -3.773 2.498 -5.831 1.00 0.00 C ATOM 876 C HIS A 55 -4.179 3.088 -4.487 1.00 0.00 C ATOM 877 O HIS A 55 -4.083 4.296 -4.274 1.00 0.00 O ATOM 878 CB HIS A 55 -2.451 3.102 -6.309 1.00 0.00 C ATOM 879 CG HIS A 55 -2.238 2.968 -7.783 1.00 0.00 C ATOM 880 ND1 HIS A 55 -3.066 3.227 -8.824 1.00 0.00 N flip ATOM 881 CD2 HIS A 55 -1.062 2.509 -8.337 1.00 0.00 C flip ATOM 882 CE1 HIS A 55 -2.379 2.923 -9.974 1.00 0.00 C flip ATOM 883 NE2 HIS A 55 -1.174 2.493 -9.653 1.00 0.00 N flip ATOM 0 H HIS A 55 -5.140 3.732 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.629 1.423 -5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.423 4.158 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.627 2.618 -5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.186 2.209 -7.782 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.763 3.020 -10.979 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.451 2.198 -10.310 1.00 0.00 H new ATOM 892 N CYS A 56 -4.676 2.235 -3.600 1.00 0.00 N ATOM 893 CA CYS A 56 -5.148 2.685 -2.296 1.00 0.00 C ATOM 894 C CYS A 56 -4.348 2.097 -1.139 1.00 0.00 C ATOM 895 O CYS A 56 -3.578 1.152 -1.306 1.00 0.00 O ATOM 896 CB CYS A 56 -6.617 2.305 -2.133 1.00 0.00 C ATOM 897 SG CYS A 56 -6.889 0.813 -1.148 1.00 0.00 S ATOM 0 H CYS A 56 -4.763 1.231 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.017 3.767 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.147 3.136 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.055 2.160 -3.120 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.129 -0.191 -1.938 1.00 0.00 H new ATOM 903 N ILE A 57 -4.571 2.667 0.041 1.00 0.00 N ATOM 904 CA ILE A 57 -3.916 2.224 1.267 1.00 0.00 C ATOM 905 C ILE A 57 -4.937 2.135 2.394 1.00 0.00 C ATOM 906 O ILE A 57 -5.976 2.794 2.348 1.00 0.00 O ATOM 907 CB ILE A 57 -2.784 3.181 1.694 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.905 3.540 0.493 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.948 2.556 2.805 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.401 2.333 -0.267 1.00 0.00 C ATOM 0 H ILE A 57 -5.211 3.450 0.174 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.480 1.245 1.068 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.232 4.098 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.473 4.176 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.052 4.124 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.154 3.245 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.583 2.352 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.508 1.624 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.785 2.661 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.806 1.707 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.248 1.760 -0.643 1.00 0.00 H new ATOM 922 N VAL A 58 -4.649 1.324 3.403 1.00 0.00 N ATOM 923 CA VAL A 58 -5.565 1.172 4.525 1.00 0.00 C ATOM 924 C VAL A 58 -4.854 0.638 5.762 1.00 0.00 C ATOM 925 O VAL A 58 -4.463 -0.527 5.813 1.00 0.00 O ATOM 926 CB VAL A 58 -6.734 0.238 4.173 1.00 0.00 C ATOM 927 CG1 VAL A 58 -6.237 -1.184 3.986 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.811 0.301 5.245 1.00 0.00 C ATOM 0 H VAL A 58 -3.797 0.766 3.468 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.955 2.166 4.743 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.174 0.572 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.077 -1.833 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.506 -1.211 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.771 -1.531 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.630 -0.367 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.390 -0.006 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.186 1.321 5.324 1.00 0.00 H new ATOM 938 N GLY A 59 -4.697 1.497 6.763 1.00 0.00 N ATOM 939 CA GLY A 59 -4.041 1.096 7.989 1.00 0.00 C ATOM 940 C GLY A 59 -4.729 1.661 9.211 1.00 0.00 C ATOM 941 O GLY A 59 -5.947 1.552 9.350 1.00 0.00 O ATOM 0 H GLY A 59 -5.014 2.466 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.025 0.008 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.003 1.429 7.971 1.00 0.00 H new ATOM 945 N ARG A 60 -3.952 2.263 10.103 1.00 0.00 N ATOM 946 CA ARG A 60 -4.502 2.835 11.315 1.00 0.00 C ATOM 947 C ARG A 60 -3.515 3.793 11.977 1.00 0.00 C ATOM 948 O ARG A 60 -3.915 4.738 12.656 1.00 0.00 O ATOM 949 CB ARG A 60 -4.872 1.717 12.276 1.00 0.00 C ATOM 950 CG ARG A 60 -4.053 0.452 12.080 1.00 0.00 C ATOM 951 CD ARG A 60 -4.918 -0.792 12.192 1.00 0.00 C ATOM 952 NE ARG A 60 -5.071 -1.228 13.576 1.00 0.00 N ATOM 953 CZ ARG A 60 -5.822 -2.260 13.944 1.00 0.00 C ATOM 954 NH1 ARG A 60 -6.480 -2.963 13.031 1.00 0.00 N ATOM 955 NH2 ARG A 60 -5.915 -2.591 15.223 1.00 0.00 N ATOM 0 H ARG A 60 -2.942 2.365 10.006 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.392 3.407 11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.741 2.070 13.299 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.929 1.479 12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.572 0.476 11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.258 0.412 12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.900 -0.590 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.474 -1.596 11.605 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.574 -0.712 14.301 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.409 -2.711 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.056 -3.755 13.315 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.410 -2.053 15.927 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.492 -3.384 15.504 1.00 0.00 H new ATOM 969 N ASN A 61 -2.226 3.541 11.778 1.00 0.00 N ATOM 970 CA ASN A 61 -1.186 4.383 12.359 1.00 0.00 C ATOM 971 C ASN A 61 0.083 4.343 11.515 1.00 0.00 C ATOM 972 O ASN A 61 1.186 4.195 12.041 1.00 0.00 O ATOM 973 CB ASN A 61 -0.877 3.934 13.790 1.00 0.00 C ATOM 974 CG ASN A 61 0.137 4.832 14.471 1.00 0.00 C ATOM 975 OD1 ASN A 61 0.229 6.022 14.172 1.00 0.00 O ATOM 976 ND2 ASN A 61 0.903 4.263 15.394 1.00 0.00 N ATOM 0 H ASN A 61 -1.876 2.762 11.220 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.554 5.409 12.379 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.799 3.924 14.372 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.500 2.911 13.774 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.603 4.817 15.888 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.791 3.272 15.609 1.00 0.00 H new ATOM 983 N PHE A 62 -0.079 4.474 10.201 1.00 0.00 N ATOM 984 CA PHE A 62 1.053 4.452 9.285 1.00 0.00 C ATOM 985 C PHE A 62 1.403 5.860 8.816 1.00 0.00 C ATOM 986 O PHE A 62 0.987 6.849 9.420 1.00 0.00 O ATOM 987 CB PHE A 62 0.734 3.568 8.080 1.00 0.00 C ATOM 988 CG PHE A 62 -0.170 4.228 7.077 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.210 5.045 7.490 1.00 0.00 C ATOM 990 CD2 PHE A 62 0.023 4.031 5.720 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.040 5.653 6.568 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.804 4.636 4.793 1.00 0.00 C ATOM 993 CZ PHE A 62 -1.837 5.449 5.217 1.00 0.00 C ATOM 0 H PHE A 62 -0.985 4.596 9.748 1.00 0.00 H new ATOM 0 HA PHE A 62 1.913 4.043 9.816 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.665 3.287 7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.267 2.647 8.428 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.374 5.208 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.829 3.397 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.847 6.287 6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.643 4.473 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.484 5.924 4.494 1.00 0.00 H new ATOM 1003 N GLY A 63 2.173 5.941 7.735 1.00 0.00 N ATOM 1004 CA GLY A 63 2.569 7.229 7.196 1.00 0.00 C ATOM 1005 C GLY A 63 2.714 7.195 5.688 1.00 0.00 C ATOM 1006 O GLY A 63 3.787 6.890 5.167 1.00 0.00 O ATOM 0 H GLY A 63 2.530 5.135 7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.829 7.980 7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.515 7.534 7.644 1.00 0.00 H new ATOM 1010 N SER A 64 1.629 7.502 4.987 1.00 0.00 N ATOM 1011 CA SER A 64 1.633 7.497 3.530 1.00 0.00 C ATOM 1012 C SER A 64 2.294 8.756 2.975 1.00 0.00 C ATOM 1013 O SER A 64 2.203 9.832 3.566 1.00 0.00 O ATOM 1014 CB SER A 64 0.205 7.381 2.996 1.00 0.00 C ATOM 1015 OG SER A 64 -0.690 8.169 3.761 1.00 0.00 O ATOM 0 H SER A 64 0.734 7.758 5.405 1.00 0.00 H new ATOM 0 HA SER A 64 2.211 6.634 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.176 7.700 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.112 6.338 3.019 1.00 0.00 H new ATOM 0 HG SER A 64 -1.586 7.773 3.727 1.00 0.00 H new ATOM 1021 N TYR A 65 2.956 8.609 1.832 1.00 0.00 N ATOM 1022 CA TYR A 65 3.633 9.726 1.186 1.00 0.00 C ATOM 1023 C TYR A 65 3.756 9.485 -0.314 1.00 0.00 C ATOM 1024 O TYR A 65 4.861 9.386 -0.849 1.00 0.00 O ATOM 1025 CB TYR A 65 5.021 9.935 1.796 1.00 0.00 C ATOM 1026 CG TYR A 65 5.567 11.330 1.591 1.00 0.00 C ATOM 1027 CD1 TYR A 65 5.065 12.405 2.312 1.00 0.00 C ATOM 1028 CD2 TYR A 65 6.587 11.571 0.678 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.561 13.682 2.129 1.00 0.00 C ATOM 1030 CE2 TYR A 65 7.088 12.844 0.489 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.572 13.895 1.216 1.00 0.00 C ATOM 1032 OH TYR A 65 7.070 15.165 1.029 1.00 0.00 O ATOM 0 H TYR A 65 3.038 7.723 1.333 1.00 0.00 H new ATOM 0 HA TYR A 65 3.037 10.624 1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.975 9.725 2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.713 9.215 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.273 12.241 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.994 10.750 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.159 14.508 2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.880 13.015 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 65 7.778 15.142 0.352 1.00 0.00 H new ATOM 1042 N VAL A 66 2.614 9.387 -0.988 1.00 0.00 N ATOM 1043 CA VAL A 66 2.596 9.151 -2.426 1.00 0.00 C ATOM 1044 C VAL A 66 1.796 10.225 -3.154 1.00 0.00 C ATOM 1045 O VAL A 66 0.744 10.658 -2.685 1.00 0.00 O ATOM 1046 CB VAL A 66 2.004 7.770 -2.760 1.00 0.00 C ATOM 1047 CG1 VAL A 66 2.641 6.693 -1.896 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.492 7.779 -2.585 1.00 0.00 C ATOM 0 H VAL A 66 1.691 9.467 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 66 3.632 9.186 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 66 2.224 7.544 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.210 5.724 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.716 6.670 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.455 6.912 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.092 6.794 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.247 8.028 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.053 8.522 -3.251 1.00 0.00 H new ATOM 1058 N THR A 67 2.302 10.647 -4.308 1.00 0.00 N ATOM 1059 CA THR A 67 1.632 11.668 -5.107 1.00 0.00 C ATOM 1060 C THR A 67 0.591 11.037 -6.025 1.00 0.00 C ATOM 1061 O THR A 67 0.739 9.893 -6.455 1.00 0.00 O ATOM 1062 CB THR A 67 2.650 12.451 -5.935 1.00 0.00 C ATOM 1063 OG1 THR A 67 2.034 13.556 -6.573 1.00 0.00 O ATOM 1064 CG2 THR A 67 3.313 11.618 -7.004 1.00 0.00 C ATOM 0 H THR A 67 3.172 10.299 -4.711 1.00 0.00 H new ATOM 0 HA THR A 67 1.127 12.354 -4.427 1.00 0.00 H new ATOM 0 HB THR A 67 3.410 12.778 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.702 14.046 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.024 12.233 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.838 10.783 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.556 11.236 -7.689 1.00 0.00 H new ATOM 1072 N HIS A 68 -0.465 11.788 -6.322 1.00 0.00 N ATOM 1073 CA HIS A 68 -1.529 11.297 -7.188 1.00 0.00 C ATOM 1074 C HIS A 68 -1.114 11.368 -8.654 1.00 0.00 C ATOM 1075 O HIS A 68 0.075 11.389 -8.973 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.810 12.105 -6.969 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.797 13.445 -7.637 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -1.639 14.162 -7.862 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -3.807 14.199 -8.131 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -1.939 15.299 -8.465 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -3.247 15.344 -8.640 1.00 0.00 N ATOM 0 H HIS A 68 -0.606 12.737 -5.976 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.718 10.254 -6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.659 11.531 -7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.963 12.244 -5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.857 13.947 -8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.235 16.061 -8.764 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.759 16.107 -9.082 1.00 0.00 H new ATOM 1090 N GLU A 69 -2.103 11.405 -9.541 1.00 0.00 N ATOM 1091 CA GLU A 69 -1.841 11.471 -10.973 1.00 0.00 C ATOM 1092 C GLU A 69 -2.834 12.400 -11.666 1.00 0.00 C ATOM 1093 O GLU A 69 -2.443 13.294 -12.416 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.917 10.074 -11.590 1.00 0.00 C ATOM 1095 CG GLU A 69 -1.639 8.957 -10.597 1.00 0.00 C ATOM 1096 CD GLU A 69 -0.219 8.433 -10.693 1.00 0.00 C ATOM 1097 OE1 GLU A 69 0.715 9.182 -10.336 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -0.041 7.275 -11.125 1.00 0.00 O ATOM 0 H GLU A 69 -3.092 11.390 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.837 11.871 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.908 9.929 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.201 10.008 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.821 9.321 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.337 8.138 -10.771 1.00 0.00 H new ATOM 1105 N THR A 70 -4.118 12.180 -11.411 1.00 0.00 N ATOM 1106 CA THR A 70 -5.169 12.995 -12.010 1.00 0.00 C ATOM 1107 C THR A 70 -6.285 13.265 -11.007 1.00 0.00 C ATOM 1108 O THR A 70 -6.574 14.415 -10.676 1.00 0.00 O ATOM 1109 CB THR A 70 -5.738 12.297 -13.247 1.00 0.00 C ATOM 1110 OG1 THR A 70 -6.959 12.896 -13.644 1.00 0.00 O ATOM 1111 CG2 THR A 70 -5.999 10.822 -13.033 1.00 0.00 C ATOM 0 H THR A 70 -4.457 11.443 -10.793 1.00 0.00 H new ATOM 0 HA THR A 70 -4.733 13.949 -12.306 1.00 0.00 H new ATOM 0 HB THR A 70 -4.975 12.407 -14.018 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.306 12.437 -14.437 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.402 10.387 -13.948 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.066 10.321 -12.773 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.718 10.693 -12.224 1.00 0.00 H new ATOM 1119 N LYS A 71 -6.911 12.195 -10.528 1.00 0.00 N ATOM 1120 CA LYS A 71 -7.998 12.312 -9.563 1.00 0.00 C ATOM 1121 C LYS A 71 -8.157 11.019 -8.767 1.00 0.00 C ATOM 1122 O LYS A 71 -7.172 10.418 -8.338 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.308 12.648 -10.282 1.00 0.00 C ATOM 1124 CG LYS A 71 -9.108 13.264 -11.657 1.00 0.00 C ATOM 1125 CD LYS A 71 -10.089 14.397 -11.908 1.00 0.00 C ATOM 1126 CE LYS A 71 -10.801 14.232 -13.241 1.00 0.00 C ATOM 1127 NZ LYS A 71 -11.552 15.459 -13.624 1.00 0.00 N ATOM 0 H LYS A 71 -6.684 11.236 -10.793 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.755 13.117 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.900 11.739 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.885 13.337 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.088 13.639 -11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.233 12.497 -12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.824 14.429 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.559 15.349 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.071 13.996 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.489 13.388 -13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.023 15.306 -14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.266 15.670 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.892 16.259 -13.704 1.00 0.00 H new ATOM 1141 N HIS A 72 -9.402 10.598 -8.575 1.00 0.00 N ATOM 1142 CA HIS A 72 -9.694 9.377 -7.835 1.00 0.00 C ATOM 1143 C HIS A 72 -8.655 9.132 -6.744 1.00 0.00 C ATOM 1144 O HIS A 72 -8.308 7.986 -6.455 1.00 0.00 O ATOM 1145 CB HIS A 72 -9.739 8.178 -8.786 1.00 0.00 C ATOM 1146 CG HIS A 72 -10.538 8.424 -10.029 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -11.570 7.604 -10.438 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -10.452 9.406 -10.960 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -12.081 8.069 -11.564 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -11.422 9.161 -11.900 1.00 0.00 N ATOM 0 H HIS A 72 -10.227 11.086 -8.923 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.668 9.498 -7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.720 7.910 -9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -10.160 7.322 -8.258 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -11.889 6.769 -9.947 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.751 10.228 -10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.899 7.630 -12.116 1.00 0.00 H new ATOM 1159 N PHE A 73 -8.164 10.208 -6.135 1.00 0.00 N ATOM 1160 CA PHE A 73 -7.169 10.092 -5.075 1.00 0.00 C ATOM 1161 C PHE A 73 -7.721 10.622 -3.756 1.00 0.00 C ATOM 1162 O PHE A 73 -7.755 11.829 -3.529 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.893 10.852 -5.453 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.007 11.167 -4.278 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.592 10.164 -3.417 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.595 12.468 -4.033 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.781 10.451 -2.336 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -3.783 12.760 -2.954 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.377 11.751 -2.103 1.00 0.00 C ATOM 0 H PHE A 73 -8.438 11.165 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.927 9.036 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.329 10.261 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.168 11.783 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.906 9.146 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.912 13.262 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.463 9.659 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.466 13.777 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.745 11.978 -1.257 1.00 0.00 H new ATOM 1179 N ILE A 74 -8.145 9.714 -2.886 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.686 10.100 -1.591 1.00 0.00 C ATOM 1181 C ILE A 74 -7.824 9.558 -0.456 1.00 0.00 C ATOM 1182 O ILE A 74 -7.153 8.538 -0.606 1.00 0.00 O ATOM 1183 CB ILE A 74 -10.133 9.601 -1.406 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -10.784 10.320 -0.216 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.148 8.088 -1.221 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -12.060 9.676 0.288 1.00 0.00 C ATOM 0 H ILE A 74 -8.124 8.708 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.684 11.190 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.714 9.832 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.066 10.363 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.001 11.349 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.175 7.747 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.715 7.610 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.564 7.823 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.450 10.250 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.799 9.658 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -11.850 8.656 0.611 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.850 10.245 0.680 1.00 0.00 N ATOM 1199 CA TYR A 75 -7.074 9.834 1.845 1.00 0.00 C ATOM 1200 C TYR A 75 -7.774 10.251 3.131 1.00 0.00 C ATOM 1201 O TYR A 75 -7.602 11.371 3.610 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.668 10.434 1.797 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.758 9.917 2.888 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.799 8.583 3.275 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -3.862 10.760 3.532 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -3.973 8.104 4.274 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -3.032 10.289 4.532 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.092 8.961 4.899 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.267 8.488 5.893 1.00 0.00 O ATOM 0 H TYR A 75 -8.402 11.092 0.820 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.991 8.747 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.221 10.216 0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.741 11.519 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.488 7.909 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.813 11.801 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.017 7.064 4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.340 10.957 5.023 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.064 7.544 5.728 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.572 9.343 3.677 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.315 9.608 4.904 1.00 0.00 C ATOM 1221 C PHE A 76 -8.826 8.729 6.049 1.00 0.00 C ATOM 1222 O PHE A 76 -7.873 7.966 5.901 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.806 9.362 4.675 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.083 8.160 3.820 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.654 8.115 2.503 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.769 7.070 4.334 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -10.904 7.006 1.716 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.021 5.961 3.552 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.588 5.929 2.240 1.00 0.00 C ATOM 0 H PHE A 76 -8.722 8.412 3.288 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.150 10.651 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.299 9.235 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.245 10.242 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.118 8.955 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.110 7.089 5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.564 6.983 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.556 5.119 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.785 5.062 1.626 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.497 8.842 7.191 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.146 8.058 8.369 1.00 0.00 C ATOM 1241 C TYR A 77 -10.399 7.639 9.135 1.00 0.00 C ATOM 1242 O TYR A 77 -10.872 8.364 10.010 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.218 8.858 9.285 1.00 0.00 C ATOM 1244 CG TYR A 77 -8.112 8.290 10.681 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -7.483 7.073 10.910 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -8.642 8.970 11.771 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -7.385 6.548 12.184 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -8.547 8.453 13.049 1.00 0.00 C ATOM 1249 CZ TYR A 77 -7.919 7.242 13.250 1.00 0.00 C ATOM 1250 OH TYR A 77 -7.824 6.724 14.521 1.00 0.00 O ATOM 0 H TYR A 77 -10.289 9.471 7.325 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.627 7.160 8.035 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.224 8.894 8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.578 9.885 9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.063 6.528 10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.136 9.918 11.617 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.893 5.600 12.345 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.962 8.995 13.886 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.249 7.337 15.157 1.00 0.00 H new ATOM 1260 N LEU A 78 -10.930 6.468 8.797 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.128 5.954 9.452 1.00 0.00 C ATOM 1262 C LEU A 78 -11.993 6.027 10.970 1.00 0.00 C ATOM 1263 O LEU A 78 -10.936 6.381 11.493 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.393 4.509 9.017 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.765 4.311 7.540 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.248 4.564 7.322 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.931 5.213 6.637 1.00 0.00 C ATOM 0 H LEU A 78 -10.550 5.857 8.074 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.972 6.576 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.503 3.917 9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.198 4.107 9.632 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.548 3.276 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.491 4.419 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.829 3.869 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.489 5.587 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.216 5.051 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.105 6.256 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.874 4.978 6.764 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.071 5.692 11.673 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.054 5.728 13.123 1.00 0.00 C ATOM 1281 C GLY A 79 -11.684 5.422 13.697 1.00 0.00 C ATOM 1282 O GLY A 79 -11.100 6.248 14.399 1.00 0.00 O ATOM 0 H GLY A 79 -13.957 5.396 11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.374 6.713 13.462 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.775 5.008 13.509 1.00 0.00 H new ATOM 1286 N GLN A 80 -11.171 4.234 13.396 1.00 0.00 N ATOM 1287 CA GLN A 80 -9.860 3.824 13.887 1.00 0.00 C ATOM 1288 C GLN A 80 -9.029 3.215 12.763 1.00 0.00 C ATOM 1289 O GLN A 80 -8.242 2.296 12.989 1.00 0.00 O ATOM 1290 CB GLN A 80 -10.007 2.817 15.029 1.00 0.00 C ATOM 1291 CG GLN A 80 -11.400 2.783 15.636 1.00 0.00 C ATOM 1292 CD GLN A 80 -11.444 2.044 16.958 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -10.339 2.083 17.695 1.00 0.00 O flip ATOM 1294 NE2 GLN A 80 -12.457 1.444 17.315 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.641 3.539 12.816 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.347 4.710 14.260 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.757 1.823 14.660 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.286 3.058 15.810 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.753 3.804 15.783 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.086 2.307 14.935 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.284 1.440 16.718 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.470 0.951 18.208 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.211 3.732 11.553 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.480 3.235 10.395 1.00 0.00 C ATOM 1305 C VAL A 81 -8.240 4.342 9.376 1.00 0.00 C ATOM 1306 O VAL A 81 -8.875 5.395 9.424 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.232 2.079 9.709 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.504 1.638 8.448 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.404 0.914 10.670 1.00 0.00 C ATOM 0 H VAL A 81 -9.858 4.494 11.349 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.521 2.870 10.763 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.222 2.434 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.052 0.821 7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.438 2.476 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.500 1.301 8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.937 0.105 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.425 0.559 10.990 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.974 1.241 11.540 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.319 4.093 8.451 1.00 0.00 N ATOM 1320 CA ALA A 82 -6.992 5.062 7.417 1.00 0.00 C ATOM 1321 C ALA A 82 -7.020 4.408 6.042 1.00 0.00 C ATOM 1322 O ALA A 82 -6.804 3.204 5.915 1.00 0.00 O ATOM 1323 CB ALA A 82 -5.629 5.683 7.684 1.00 0.00 C ATOM 0 H ALA A 82 -6.786 3.225 8.398 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.742 5.852 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.399 6.406 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.642 6.186 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.869 4.902 7.692 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.288 5.204 5.016 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.345 4.694 3.654 1.00 0.00 C ATOM 1331 C ILE A 83 -6.806 5.720 2.662 1.00 0.00 C ATOM 1332 O ILE A 83 -7.344 6.821 2.536 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.782 4.304 3.249 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.672 4.145 4.487 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.772 3.020 2.432 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.354 2.914 5.312 1.00 0.00 C ATOM 0 H ILE A 83 -7.469 6.204 5.101 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.720 3.801 3.627 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.194 5.105 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.567 5.030 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.714 4.100 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.793 2.758 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.177 3.167 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.339 2.215 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.024 2.869 6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.487 2.022 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.322 2.965 5.659 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.736 5.350 1.963 1.00 0.00 N ATOM 1349 CA LEU A 84 -5.116 6.232 0.981 1.00 0.00 C ATOM 1350 C LEU A 84 -5.400 5.752 -0.438 1.00 0.00 C ATOM 1351 O LEU A 84 -4.609 5.011 -1.023 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.606 6.303 1.214 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.827 7.086 0.157 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.773 8.560 0.524 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.423 6.519 0.000 1.00 0.00 C ATOM 0 H LEU A 84 -5.280 4.443 2.060 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.544 7.227 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.424 6.757 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.212 5.288 1.257 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.343 6.988 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.215 9.104 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.786 8.957 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.279 8.677 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.883 7.089 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.895 6.587 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.484 5.475 -0.307 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.534 6.176 -0.985 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.924 5.787 -2.335 1.00 0.00 C ATOM 1369 C LEU A 85 -6.352 6.740 -3.377 1.00 0.00 C ATOM 1370 O LEU A 85 -6.347 7.957 -3.186 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.447 5.751 -2.456 1.00 0.00 C ATOM 1372 CG LEU A 85 -9.028 4.391 -2.833 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -9.221 3.542 -1.591 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.341 4.560 -3.580 1.00 0.00 C ATOM 0 H LEU A 85 -7.199 6.789 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.519 4.792 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.880 6.065 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.755 6.482 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.326 3.882 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.636 2.574 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.260 3.395 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.906 4.046 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.740 3.580 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.055 5.086 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.171 5.136 -4.490 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.878 6.178 -4.484 1.00 0.00 N ATOM 1387 CA PHE A 86 -5.311 6.981 -5.564 1.00 0.00 C ATOM 1388 C PHE A 86 -4.940 6.113 -6.766 1.00 0.00 C ATOM 1389 O PHE A 86 -4.199 5.140 -6.636 1.00 0.00 O ATOM 1390 CB PHE A 86 -4.087 7.761 -5.061 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.767 7.076 -5.297 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -2.250 6.191 -4.363 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -2.042 7.324 -6.452 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -1.036 5.565 -4.578 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.826 6.702 -6.672 1.00 0.00 C ATOM 1396 CZ PHE A 86 -0.324 5.821 -5.734 1.00 0.00 C ATOM 0 H PHE A 86 -5.875 5.173 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 86 -6.070 7.692 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.068 8.736 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.202 7.942 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.802 5.988 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.431 8.011 -7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.645 4.877 -3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.270 6.905 -7.576 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.624 5.333 -5.904 1.00 0.00 H new ATOM 1406 N LYS A 87 -5.459 6.478 -7.937 1.00 0.00 N ATOM 1407 CA LYS A 87 -5.180 5.740 -9.163 1.00 0.00 C ATOM 1408 C LYS A 87 -3.843 6.165 -9.758 1.00 0.00 C ATOM 1409 O LYS A 87 -3.086 6.915 -9.140 1.00 0.00 O ATOM 1410 CB LYS A 87 -6.297 5.964 -10.185 1.00 0.00 C ATOM 1411 CG LYS A 87 -7.606 5.282 -9.819 1.00 0.00 C ATOM 1412 CD LYS A 87 -8.777 5.872 -10.590 1.00 0.00 C ATOM 1413 CE LYS A 87 -8.562 5.779 -12.093 1.00 0.00 C ATOM 1414 NZ LYS A 87 -9.710 6.348 -12.852 1.00 0.00 N ATOM 0 H LYS A 87 -6.075 7.281 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.130 4.680 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.472 7.035 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.967 5.599 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.532 4.215 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.785 5.386 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.693 5.347 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.912 6.915 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.649 6.310 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.420 4.736 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.599 6.131 -13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.597 5.932 -12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.736 7.379 -12.720 1.00 0.00 H new ATOM 1428 N SER A 88 -3.563 5.686 -10.963 1.00 0.00 N ATOM 1429 CA SER A 88 -2.321 6.016 -11.649 1.00 0.00 C ATOM 1430 C SER A 88 -2.581 6.256 -13.126 1.00 0.00 C ATOM 1431 O SER A 88 -1.673 6.187 -13.955 1.00 0.00 O ATOM 1432 CB SER A 88 -1.305 4.894 -11.476 1.00 0.00 C ATOM 1433 OG SER A 88 -0.531 5.079 -10.303 1.00 0.00 O ATOM 0 H SER A 88 -4.181 5.066 -11.487 1.00 0.00 H new ATOM 0 HA SER A 88 -1.917 6.928 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.822 3.936 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.649 4.857 -12.346 1.00 0.00 H new ATOM 0 HG SER A 88 -0.288 4.206 -9.931 1.00 0.00 H new ATOM 1439 N GLY A 89 -3.833 6.533 -13.438 1.00 0.00 N ATOM 1440 CA GLY A 89 -4.224 6.782 -14.813 1.00 0.00 C ATOM 1441 C GLY A 89 -4.108 5.544 -15.682 1.00 0.00 C ATOM 1442 O GLY A 89 -3.532 5.646 -16.786 1.00 0.00 O ATOM 1443 OXT GLY A 89 -4.592 4.474 -15.257 1.00 0.00 O ATOM 0 H GLY A 89 -4.594 6.591 -12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.252 7.143 -14.835 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.599 7.573 -15.228 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 21.238 2.286 16.544 1.00 0.00 N ATOM 1449 CA MET B 1 22.308 1.942 15.571 1.00 0.00 C ATOM 1450 C MET B 1 21.901 2.313 14.150 1.00 0.00 C ATOM 1451 O MET B 1 21.188 3.293 13.933 1.00 0.00 O ATOM 1452 CB MET B 1 22.590 0.441 15.666 1.00 0.00 C ATOM 1453 CG MET B 1 23.936 0.114 16.292 1.00 0.00 C ATOM 1454 SD MET B 1 24.161 0.892 17.902 1.00 0.00 S ATOM 1455 CE MET B 1 23.650 -0.434 18.993 1.00 0.00 C ATOM 0 H1 MET B 1 21.543 2.022 17.503 1.00 0.00 H new ATOM 0 H2 MET B 1 21.052 3.309 16.509 1.00 0.00 H new ATOM 0 H3 MET B 1 20.369 1.768 16.302 1.00 0.00 H new ATOM 0 HA MET B 1 23.207 2.509 15.813 1.00 0.00 H new ATOM 0 HB2 MET B 1 21.802 -0.032 16.251 1.00 0.00 H new ATOM 0 HB3 MET B 1 22.548 0.008 14.667 1.00 0.00 H new ATOM 0 HG2 MET B 1 24.030 -0.967 16.399 1.00 0.00 H new ATOM 0 HG3 MET B 1 24.732 0.438 15.622 1.00 0.00 H new ATOM 0 HE1 MET B 1 23.733 -0.105 20.029 1.00 0.00 H new ATOM 0 HE2 MET B 1 22.615 -0.703 18.779 1.00 0.00 H new ATOM 0 HE3 MET B 1 24.290 -1.302 18.835 1.00 0.00 H new ATOM 1467 N CYS B 2 22.357 1.523 13.184 1.00 0.00 N ATOM 1468 CA CYS B 2 22.038 1.770 11.782 1.00 0.00 C ATOM 1469 C CYS B 2 22.414 0.570 10.920 1.00 0.00 C ATOM 1470 O CYS B 2 22.578 -0.541 11.423 1.00 0.00 O ATOM 1471 CB CYS B 2 22.769 3.019 11.286 1.00 0.00 C ATOM 1472 SG CYS B 2 24.198 3.486 12.290 1.00 0.00 S ATOM 0 H CYS B 2 22.948 0.707 13.345 1.00 0.00 H new ATOM 0 HA CYS B 2 20.963 1.930 11.701 1.00 0.00 H new ATOM 0 HB2 CYS B 2 23.098 2.851 10.261 1.00 0.00 H new ATOM 0 HB3 CYS B 2 22.067 3.852 11.263 1.00 0.00 H new ATOM 0 HG CYS B 2 24.750 4.551 11.790 1.00 0.00 H new ATOM 1478 N ASP B 3 22.550 0.803 9.619 1.00 0.00 N ATOM 1479 CA ASP B 3 22.908 -0.259 8.687 1.00 0.00 C ATOM 1480 C ASP B 3 21.693 -1.112 8.339 1.00 0.00 C ATOM 1481 O ASP B 3 21.260 -1.948 9.132 1.00 0.00 O ATOM 1482 CB ASP B 3 24.009 -1.138 9.281 1.00 0.00 C ATOM 1483 CG ASP B 3 25.322 -0.395 9.431 1.00 0.00 C ATOM 1484 OD1 ASP B 3 26.059 -0.284 8.429 1.00 0.00 O ATOM 1485 OD2 ASP B 3 25.613 0.076 10.550 1.00 0.00 O ATOM 0 H ASP B 3 22.418 1.717 9.187 1.00 0.00 H new ATOM 0 HA ASP B 3 23.277 0.205 7.772 1.00 0.00 H new ATOM 0 HB2 ASP B 3 23.690 -1.507 10.256 1.00 0.00 H new ATOM 0 HB3 ASP B 3 24.158 -2.010 8.644 1.00 0.00 H new ATOM 1490 N ARG B 4 21.146 -0.895 7.147 1.00 0.00 N ATOM 1491 CA ARG B 4 19.981 -1.645 6.692 1.00 0.00 C ATOM 1492 C ARG B 4 18.841 -1.548 7.701 1.00 0.00 C ATOM 1493 O ARG B 4 18.100 -0.565 7.723 1.00 0.00 O ATOM 1494 CB ARG B 4 20.351 -3.111 6.461 1.00 0.00 C ATOM 1495 CG ARG B 4 21.845 -3.345 6.313 1.00 0.00 C ATOM 1496 CD ARG B 4 22.165 -4.117 5.044 1.00 0.00 C ATOM 1497 NE ARG B 4 22.354 -5.541 5.300 1.00 0.00 N ATOM 1498 CZ ARG B 4 23.443 -6.048 5.870 1.00 0.00 C ATOM 1499 NH1 ARG B 4 24.434 -5.249 6.241 1.00 0.00 N ATOM 1500 NH2 ARG B 4 23.542 -7.354 6.071 1.00 0.00 N ATOM 0 H ARG B 4 21.491 -0.206 6.479 1.00 0.00 H new ATOM 0 HA ARG B 4 19.645 -1.209 5.751 1.00 0.00 H new ATOM 0 HB2 ARG B 4 19.979 -3.707 7.295 1.00 0.00 H new ATOM 0 HB3 ARG B 4 19.845 -3.468 5.564 1.00 0.00 H new ATOM 0 HG2 ARG B 4 22.365 -2.387 6.298 1.00 0.00 H new ATOM 0 HG3 ARG B 4 22.216 -3.895 7.178 1.00 0.00 H new ATOM 0 HD2 ARG B 4 21.357 -3.983 4.325 1.00 0.00 H new ATOM 0 HD3 ARG B 4 23.067 -3.708 4.589 1.00 0.00 H new ATOM 0 HE ARG B 4 21.610 -6.183 5.027 1.00 0.00 H new ATOM 0 HH11 ARG B 4 24.362 -4.243 6.089 1.00 0.00 H new ATOM 0 HH12 ARG B 4 25.268 -5.640 6.678 1.00 0.00 H new ATOM 0 HH21 ARG B 4 22.782 -7.973 5.788 1.00 0.00 H new ATOM 0 HH22 ARG B 4 24.378 -7.741 6.508 1.00 0.00 H new ATOM 1514 N LYS B 5 18.706 -2.574 8.534 1.00 0.00 N ATOM 1515 CA LYS B 5 17.655 -2.605 9.542 1.00 0.00 C ATOM 1516 C LYS B 5 16.279 -2.528 8.890 1.00 0.00 C ATOM 1517 O LYS B 5 15.885 -1.483 8.374 1.00 0.00 O ATOM 1518 CB LYS B 5 17.829 -1.452 10.533 1.00 0.00 C ATOM 1519 CG LYS B 5 17.346 -1.779 11.938 1.00 0.00 C ATOM 1520 CD LYS B 5 15.857 -1.517 12.091 1.00 0.00 C ATOM 1521 CE LYS B 5 15.378 -1.813 13.504 1.00 0.00 C ATOM 1522 NZ LYS B 5 16.088 -2.978 14.100 1.00 0.00 N ATOM 0 H LYS B 5 19.312 -3.395 8.530 1.00 0.00 H new ATOM 0 HA LYS B 5 17.732 -3.549 10.082 1.00 0.00 H new ATOM 0 HB2 LYS B 5 18.883 -1.176 10.575 1.00 0.00 H new ATOM 0 HB3 LYS B 5 17.286 -0.582 10.164 1.00 0.00 H new ATOM 0 HG2 LYS B 5 17.557 -2.825 12.162 1.00 0.00 H new ATOM 0 HG3 LYS B 5 17.898 -1.180 12.662 1.00 0.00 H new ATOM 0 HD2 LYS B 5 15.643 -0.477 11.844 1.00 0.00 H new ATOM 0 HD3 LYS B 5 15.304 -2.133 11.382 1.00 0.00 H new ATOM 0 HE2 LYS B 5 15.532 -0.935 14.131 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.306 -2.010 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.572 -3.305 14.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 16.137 -3.748 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 17.051 -2.695 14.372 1.00 0.00 H new ATOM 1536 N ALA B 6 15.558 -3.645 8.920 1.00 0.00 N ATOM 1537 CA ALA B 6 14.225 -3.724 8.336 1.00 0.00 C ATOM 1538 C ALA B 6 13.829 -5.176 8.096 1.00 0.00 C ATOM 1539 O ALA B 6 14.493 -6.096 8.572 1.00 0.00 O ATOM 1540 CB ALA B 6 14.163 -2.935 7.037 1.00 0.00 C ATOM 0 H ALA B 6 15.879 -4.514 9.347 1.00 0.00 H new ATOM 0 HA ALA B 6 13.517 -3.286 9.040 1.00 0.00 H new ATOM 0 HB1 ALA B 6 13.160 -3.006 6.616 1.00 0.00 H new ATOM 0 HB2 ALA B 6 14.401 -1.890 7.234 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.884 -3.343 6.329 1.00 0.00 H new ATOM 1546 N VAL B 7 12.747 -5.376 7.353 1.00 0.00 N ATOM 1547 CA VAL B 7 12.271 -6.720 7.050 1.00 0.00 C ATOM 1548 C VAL B 7 11.419 -6.723 5.787 1.00 0.00 C ATOM 1549 O VAL B 7 10.197 -6.859 5.850 1.00 0.00 O ATOM 1550 CB VAL B 7 11.448 -7.304 8.214 1.00 0.00 C ATOM 1551 CG1 VAL B 7 11.224 -8.795 8.013 1.00 0.00 C ATOM 1552 CG2 VAL B 7 12.137 -7.034 9.543 1.00 0.00 C ATOM 0 H VAL B 7 12.184 -4.627 6.950 1.00 0.00 H new ATOM 0 HA VAL B 7 13.153 -7.342 6.895 1.00 0.00 H new ATOM 0 HB VAL B 7 10.475 -6.813 8.230 1.00 0.00 H new ATOM 0 HG11 VAL B 7 10.641 -9.191 8.845 1.00 0.00 H new ATOM 0 HG12 VAL B 7 10.684 -8.959 7.081 1.00 0.00 H new ATOM 0 HG13 VAL B 7 12.186 -9.305 7.970 1.00 0.00 H new ATOM 0 HG21 VAL B 7 11.541 -7.454 10.354 1.00 0.00 H new ATOM 0 HG22 VAL B 7 13.124 -7.496 9.541 1.00 0.00 H new ATOM 0 HG23 VAL B 7 12.240 -5.959 9.688 1.00 0.00 H new ATOM 1562 N ILE B 8 12.073 -6.572 4.642 1.00 0.00 N ATOM 1563 CA ILE B 8 11.375 -6.556 3.365 1.00 0.00 C ATOM 1564 C ILE B 8 10.229 -7.568 3.359 1.00 0.00 C ATOM 1565 O ILE B 8 10.285 -8.594 4.038 1.00 0.00 O ATOM 1566 CB ILE B 8 12.356 -6.821 2.188 1.00 0.00 C ATOM 1567 CG1 ILE B 8 12.812 -5.492 1.583 1.00 0.00 C ATOM 1568 CG2 ILE B 8 11.737 -7.701 1.104 1.00 0.00 C ATOM 1569 CD1 ILE B 8 13.871 -4.781 2.401 1.00 0.00 C ATOM 0 H ILE B 8 13.084 -6.459 4.573 1.00 0.00 H new ATOM 0 HA ILE B 8 10.950 -5.562 3.228 1.00 0.00 H new ATOM 0 HB ILE B 8 13.213 -7.359 2.593 1.00 0.00 H new ATOM 0 HG12 ILE B 8 13.201 -5.674 0.581 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.948 -4.836 1.476 1.00 0.00 H new ATOM 0 HG21 ILE B 8 12.461 -7.857 0.304 1.00 0.00 H new ATOM 0 HG22 ILE B 8 11.457 -8.663 1.533 1.00 0.00 H new ATOM 0 HG23 ILE B 8 10.851 -7.212 0.700 1.00 0.00 H new ATOM 0 HD11 ILE B 8 14.144 -3.847 1.910 1.00 0.00 H new ATOM 0 HD12 ILE B 8 13.480 -4.567 3.396 1.00 0.00 H new ATOM 0 HD13 ILE B 8 14.752 -5.417 2.487 1.00 0.00 H new ATOM 1581 N LYS B 9 9.195 -7.263 2.584 1.00 0.00 N ATOM 1582 CA LYS B 9 8.029 -8.132 2.475 1.00 0.00 C ATOM 1583 C LYS B 9 7.442 -8.052 1.071 1.00 0.00 C ATOM 1584 O LYS B 9 6.485 -8.752 0.741 1.00 0.00 O ATOM 1585 CB LYS B 9 6.971 -7.735 3.507 1.00 0.00 C ATOM 1586 CG LYS B 9 7.470 -7.793 4.942 1.00 0.00 C ATOM 1587 CD LYS B 9 7.694 -9.225 5.398 1.00 0.00 C ATOM 1588 CE LYS B 9 8.095 -9.289 6.863 1.00 0.00 C ATOM 1589 NZ LYS B 9 7.870 -10.643 7.441 1.00 0.00 N ATOM 0 H LYS B 9 9.140 -6.416 2.019 1.00 0.00 H new ATOM 0 HA LYS B 9 8.342 -9.158 2.670 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.626 -6.724 3.291 1.00 0.00 H new ATOM 0 HB3 LYS B 9 6.109 -8.394 3.404 1.00 0.00 H new ATOM 0 HG2 LYS B 9 8.402 -7.233 5.027 1.00 0.00 H new ATOM 0 HG3 LYS B 9 6.747 -7.310 5.599 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.783 -9.803 5.244 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.471 -9.685 4.787 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.147 -9.021 6.964 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.523 -8.553 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.156 -10.645 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 6.862 -10.888 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 8.435 -11.342 6.918 1.00 0.00 H new ATOM 1603 N ASN B 10 8.030 -7.188 0.254 1.00 0.00 N ATOM 1604 CA ASN B 10 7.585 -6.994 -1.119 1.00 0.00 C ATOM 1605 C ASN B 10 8.432 -5.927 -1.799 1.00 0.00 C ATOM 1606 O ASN B 10 8.057 -4.755 -1.842 1.00 0.00 O ATOM 1607 CB ASN B 10 6.111 -6.592 -1.150 1.00 0.00 C ATOM 1608 CG ASN B 10 5.320 -7.377 -2.177 1.00 0.00 C ATOM 1609 OD1 ASN B 10 5.898 -8.472 -2.656 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 4.202 -7.006 -2.535 1.00 0.00 N flip ATOM 0 H ASN B 10 8.823 -6.606 0.522 1.00 0.00 H new ATOM 0 HA ASN B 10 7.701 -7.934 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN B 10 5.674 -6.746 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.032 -5.527 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN B 10 3.796 -6.158 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN B 10 3.682 -7.547 -3.226 1.00 0.00 H new ATOM 1617 N ALA B 11 9.584 -6.338 -2.314 1.00 0.00 N ATOM 1618 CA ALA B 11 10.495 -5.414 -2.975 1.00 0.00 C ATOM 1619 C ALA B 11 10.546 -5.649 -4.479 1.00 0.00 C ATOM 1620 O ALA B 11 11.540 -6.150 -5.004 1.00 0.00 O ATOM 1621 CB ALA B 11 11.888 -5.535 -2.375 1.00 0.00 C ATOM 0 H ALA B 11 9.909 -7.304 -2.286 1.00 0.00 H new ATOM 0 HA ALA B 11 10.119 -4.404 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.562 -4.840 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA B 11 11.848 -5.299 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.254 -6.553 -2.507 1.00 0.00 H new ATOM 1627 N ASP B 12 9.480 -5.263 -5.173 1.00 0.00 N ATOM 1628 CA ASP B 12 9.425 -5.412 -6.621 1.00 0.00 C ATOM 1629 C ASP B 12 10.329 -4.376 -7.271 1.00 0.00 C ATOM 1630 O ASP B 12 10.033 -3.853 -8.345 1.00 0.00 O ATOM 1631 CB ASP B 12 7.991 -5.248 -7.126 1.00 0.00 C ATOM 1632 CG ASP B 12 7.326 -6.578 -7.418 1.00 0.00 C ATOM 1633 OD1 ASP B 12 7.712 -7.229 -8.411 1.00 0.00 O ATOM 1634 OD2 ASP B 12 6.419 -6.969 -6.654 1.00 0.00 O ATOM 0 H ASP B 12 8.647 -4.847 -4.757 1.00 0.00 H new ATOM 0 HA ASP B 12 9.768 -6.412 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.406 -4.708 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.995 -4.640 -8.031 1.00 0.00 H new ATOM 1639 N MET B 13 11.426 -4.072 -6.588 1.00 0.00 N ATOM 1640 CA MET B 13 12.381 -3.082 -7.058 1.00 0.00 C ATOM 1641 C MET B 13 13.805 -3.647 -7.031 1.00 0.00 C ATOM 1642 O MET B 13 14.042 -4.738 -6.514 1.00 0.00 O ATOM 1643 CB MET B 13 12.259 -1.826 -6.181 1.00 0.00 C ATOM 1644 CG MET B 13 13.577 -1.161 -5.823 1.00 0.00 C ATOM 1645 SD MET B 13 13.782 -0.947 -4.046 1.00 0.00 S ATOM 1646 CE MET B 13 13.311 0.770 -3.857 1.00 0.00 C ATOM 0 H MET B 13 11.676 -4.503 -5.698 1.00 0.00 H new ATOM 0 HA MET B 13 12.162 -2.818 -8.093 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.632 -1.100 -6.698 1.00 0.00 H new ATOM 0 HB3 MET B 13 11.743 -2.094 -5.259 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.400 -1.761 -6.211 1.00 0.00 H new ATOM 0 HG3 MET B 13 13.634 -0.188 -6.312 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.903 1.224 -3.063 1.00 0.00 H new ATOM 0 HE2 MET B 13 13.490 1.301 -4.792 1.00 0.00 H new ATOM 0 HE3 MET B 13 12.253 0.831 -3.601 1.00 0.00 H new ATOM 1656 N SER B 14 14.748 -2.893 -7.592 1.00 0.00 N ATOM 1657 CA SER B 14 16.145 -3.315 -7.633 1.00 0.00 C ATOM 1658 C SER B 14 16.637 -3.708 -6.243 1.00 0.00 C ATOM 1659 O SER B 14 16.408 -2.991 -5.271 1.00 0.00 O ATOM 1660 CB SER B 14 17.020 -2.194 -8.196 1.00 0.00 C ATOM 1661 OG SER B 14 17.430 -2.482 -9.521 1.00 0.00 O ATOM 0 H SER B 14 14.569 -1.987 -8.024 1.00 0.00 H new ATOM 0 HA SER B 14 16.216 -4.186 -8.284 1.00 0.00 H new ATOM 0 HB2 SER B 14 16.468 -1.254 -8.179 1.00 0.00 H new ATOM 0 HB3 SER B 14 17.897 -2.060 -7.562 1.00 0.00 H new ATOM 0 HG SER B 14 17.986 -1.749 -9.858 1.00 0.00 H new ATOM 1667 N GLU B 15 17.311 -4.852 -6.160 1.00 0.00 N ATOM 1668 CA GLU B 15 17.832 -5.348 -4.889 1.00 0.00 C ATOM 1669 C GLU B 15 18.654 -4.281 -4.169 1.00 0.00 C ATOM 1670 O GLU B 15 18.245 -3.763 -3.133 1.00 0.00 O ATOM 1671 CB GLU B 15 18.681 -6.601 -5.117 1.00 0.00 C ATOM 1672 CG GLU B 15 17.937 -7.718 -5.830 1.00 0.00 C ATOM 1673 CD GLU B 15 18.311 -7.825 -7.296 1.00 0.00 C ATOM 1674 OE1 GLU B 15 18.055 -6.860 -8.045 1.00 0.00 O ATOM 1675 OE2 GLU B 15 18.859 -8.874 -7.693 1.00 0.00 O ATOM 0 H GLU B 15 17.510 -5.454 -6.959 1.00 0.00 H new ATOM 0 HA GLU B 15 16.982 -5.602 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU B 15 19.562 -6.332 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.037 -6.969 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU B 15 18.150 -8.665 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.864 -7.547 -5.744 1.00 0.00 H new ATOM 1682 N GLU B 16 19.819 -3.956 -4.715 1.00 0.00 N ATOM 1683 CA GLU B 16 20.682 -2.951 -4.106 1.00 0.00 C ATOM 1684 C GLU B 16 19.904 -1.663 -3.848 1.00 0.00 C ATOM 1685 O GLU B 16 20.200 -0.919 -2.913 1.00 0.00 O ATOM 1686 CB GLU B 16 21.885 -2.663 -5.005 1.00 0.00 C ATOM 1687 CG GLU B 16 22.955 -1.819 -4.333 1.00 0.00 C ATOM 1688 CD GLU B 16 24.184 -2.624 -3.958 1.00 0.00 C ATOM 1689 OE1 GLU B 16 24.106 -3.871 -3.981 1.00 0.00 O ATOM 1690 OE2 GLU B 16 25.223 -2.008 -3.640 1.00 0.00 O ATOM 0 H GLU B 16 20.186 -4.370 -5.572 1.00 0.00 H new ATOM 0 HA GLU B 16 21.040 -3.341 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU B 16 22.325 -3.608 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU B 16 21.542 -2.152 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU B 16 23.246 -1.009 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.539 -1.359 -3.437 1.00 0.00 H new ATOM 1697 N MET B 17 18.905 -1.411 -4.687 1.00 0.00 N ATOM 1698 CA MET B 17 18.077 -0.220 -4.562 1.00 0.00 C ATOM 1699 C MET B 17 17.092 -0.357 -3.397 1.00 0.00 C ATOM 1700 O MET B 17 16.765 0.630 -2.736 1.00 0.00 O ATOM 1701 CB MET B 17 17.352 0.045 -5.890 1.00 0.00 C ATOM 1702 CG MET B 17 15.937 0.574 -5.753 1.00 0.00 C ATOM 1703 SD MET B 17 15.752 2.235 -6.418 1.00 0.00 S ATOM 1704 CE MET B 17 16.722 3.162 -5.240 1.00 0.00 C ATOM 0 H MET B 17 18.649 -2.020 -5.464 1.00 0.00 H new ATOM 0 HA MET B 17 18.714 0.637 -4.341 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.937 0.760 -6.470 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.323 -0.882 -6.462 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.250 -0.098 -6.268 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.653 0.574 -4.701 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.449 4.216 -5.293 1.00 0.00 H new ATOM 0 HE2 MET B 17 16.529 2.788 -4.235 1.00 0.00 H new ATOM 0 HE3 MET B 17 17.781 3.049 -5.472 1.00 0.00 H new ATOM 1714 N GLN B 18 16.630 -1.581 -3.134 1.00 0.00 N ATOM 1715 CA GLN B 18 15.699 -1.811 -2.032 1.00 0.00 C ATOM 1716 C GLN B 18 16.437 -1.778 -0.699 1.00 0.00 C ATOM 1717 O GLN B 18 15.868 -1.409 0.329 1.00 0.00 O ATOM 1718 CB GLN B 18 14.954 -3.141 -2.187 1.00 0.00 C ATOM 1719 CG GLN B 18 15.673 -4.164 -3.046 1.00 0.00 C ATOM 1720 CD GLN B 18 14.763 -4.790 -4.082 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.588 -4.202 -4.266 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 15.111 -5.790 -4.711 1.00 0.00 N flip ATOM 0 H GLN B 18 16.882 -2.417 -3.662 1.00 0.00 H new ATOM 0 HA GLN B 18 14.960 -1.010 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN B 18 14.787 -3.568 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN B 18 13.973 -2.946 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN B 18 16.515 -3.686 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN B 18 16.084 -4.946 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN B 18 16.024 -6.210 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.486 -6.199 -5.406 1.00 0.00 H new ATOM 1731 N GLN B 19 17.716 -2.143 -0.727 1.00 0.00 N ATOM 1732 CA GLN B 19 18.533 -2.129 0.477 1.00 0.00 C ATOM 1733 C GLN B 19 18.846 -0.691 0.851 1.00 0.00 C ATOM 1734 O GLN B 19 18.807 -0.311 2.024 1.00 0.00 O ATOM 1735 CB GLN B 19 19.827 -2.915 0.262 1.00 0.00 C ATOM 1736 CG GLN B 19 19.729 -4.374 0.674 1.00 0.00 C ATOM 1737 CD GLN B 19 18.867 -4.574 1.905 1.00 0.00 C ATOM 1738 OE1 GLN B 19 17.968 -5.415 1.917 1.00 0.00 O ATOM 1739 NE2 GLN B 19 19.136 -3.799 2.949 1.00 0.00 N ATOM 0 H GLN B 19 18.205 -2.450 -1.568 1.00 0.00 H new ATOM 0 HA GLN B 19 17.981 -2.605 1.288 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.104 -2.861 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.629 -2.440 0.827 1.00 0.00 H new ATOM 0 HG2 GLN B 19 19.317 -4.954 -0.152 1.00 0.00 H new ATOM 0 HG3 GLN B 19 20.729 -4.761 0.868 1.00 0.00 H new ATOM 0 HE21 GLN B 19 19.891 -3.115 2.895 1.00 0.00 H new ATOM 0 HE22 GLN B 19 18.588 -3.888 3.805 1.00 0.00 H new ATOM 1748 N ASP B 20 19.127 0.115 -0.168 1.00 0.00 N ATOM 1749 CA ASP B 20 19.415 1.520 0.041 1.00 0.00 C ATOM 1750 C ASP B 20 18.151 2.225 0.503 1.00 0.00 C ATOM 1751 O ASP B 20 18.202 3.192 1.262 1.00 0.00 O ATOM 1752 CB ASP B 20 19.948 2.160 -1.243 1.00 0.00 C ATOM 1753 CG ASP B 20 21.455 2.046 -1.361 1.00 0.00 C ATOM 1754 OD1 ASP B 20 22.138 2.090 -0.317 1.00 0.00 O ATOM 1755 OD2 ASP B 20 21.953 1.913 -2.499 1.00 0.00 O ATOM 0 H ASP B 20 19.160 -0.185 -1.142 1.00 0.00 H new ATOM 0 HA ASP B 20 20.185 1.618 0.807 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.481 1.683 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP B 20 19.663 3.212 -1.268 1.00 0.00 H new ATOM 1760 N SER B 21 17.010 1.713 0.047 1.00 0.00 N ATOM 1761 CA SER B 21 15.721 2.270 0.423 1.00 0.00 C ATOM 1762 C SER B 21 15.512 2.130 1.924 1.00 0.00 C ATOM 1763 O SER B 21 15.155 3.091 2.604 1.00 0.00 O ATOM 1764 CB SER B 21 14.590 1.567 -0.332 1.00 0.00 C ATOM 1765 OG SER B 21 13.911 0.647 0.506 1.00 0.00 O ATOM 0 H SER B 21 16.956 0.913 -0.583 1.00 0.00 H new ATOM 0 HA SER B 21 15.709 3.327 0.158 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.885 2.308 -0.710 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.997 1.044 -1.197 1.00 0.00 H new ATOM 0 HG SER B 21 13.364 1.137 1.154 1.00 0.00 H new ATOM 1771 N VAL B 22 15.753 0.926 2.438 1.00 0.00 N ATOM 1772 CA VAL B 22 15.607 0.670 3.864 1.00 0.00 C ATOM 1773 C VAL B 22 16.456 1.650 4.658 1.00 0.00 C ATOM 1774 O VAL B 22 15.964 2.325 5.562 1.00 0.00 O ATOM 1775 CB VAL B 22 16.016 -0.767 4.237 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.945 -0.963 5.741 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.137 -1.780 3.522 1.00 0.00 C ATOM 0 H VAL B 22 16.048 0.118 1.890 1.00 0.00 H new ATOM 0 HA VAL B 22 14.553 0.799 4.109 1.00 0.00 H new ATOM 0 HB VAL B 22 17.045 -0.926 3.916 1.00 0.00 H new ATOM 0 HG11 VAL B 22 16.237 -1.983 5.989 1.00 0.00 H new ATOM 0 HG12 VAL B 22 16.621 -0.263 6.231 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.926 -0.784 6.084 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.444 -2.788 3.800 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.097 -1.625 3.808 1.00 0.00 H new ATOM 0 HG23 VAL B 22 15.239 -1.654 2.444 1.00 0.00 H new ATOM 1787 N GLU B 23 17.735 1.738 4.300 1.00 0.00 N ATOM 1788 CA GLU B 23 18.646 2.655 4.971 1.00 0.00 C ATOM 1789 C GLU B 23 18.081 4.069 4.929 1.00 0.00 C ATOM 1790 O GLU B 23 18.215 4.834 5.884 1.00 0.00 O ATOM 1791 CB GLU B 23 20.024 2.619 4.307 1.00 0.00 C ATOM 1792 CG GLU B 23 20.499 1.217 3.968 1.00 0.00 C ATOM 1793 CD GLU B 23 21.518 1.204 2.845 1.00 0.00 C ATOM 1794 OE1 GLU B 23 22.274 2.189 2.720 1.00 0.00 O ATOM 1795 OE2 GLU B 23 21.558 0.208 2.091 1.00 0.00 O ATOM 0 H GLU B 23 18.160 1.188 3.553 1.00 0.00 H new ATOM 0 HA GLU B 23 18.754 2.345 6.010 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.994 3.214 3.394 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.750 3.089 4.970 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.936 0.760 4.856 1.00 0.00 H new ATOM 0 HG3 GLU B 23 19.643 0.606 3.684 1.00 0.00 H new ATOM 1802 N CYS B 24 17.431 4.401 3.817 1.00 0.00 N ATOM 1803 CA CYS B 24 16.823 5.715 3.650 1.00 0.00 C ATOM 1804 C CYS B 24 15.591 5.831 4.538 1.00 0.00 C ATOM 1805 O CYS B 24 15.319 6.887 5.117 1.00 0.00 O ATOM 1806 CB CYS B 24 16.443 5.948 2.185 1.00 0.00 C ATOM 1807 SG CYS B 24 17.320 7.326 1.407 1.00 0.00 S ATOM 0 H CYS B 24 17.312 3.777 3.019 1.00 0.00 H new ATOM 0 HA CYS B 24 17.546 6.476 3.943 1.00 0.00 H new ATOM 0 HB2 CYS B 24 16.643 5.038 1.619 1.00 0.00 H new ATOM 0 HB3 CYS B 24 15.370 6.132 2.124 1.00 0.00 H new ATOM 0 HG CYS B 24 16.774 7.595 0.258 1.00 0.00 H new ATOM 1813 N ALA B 25 14.868 4.722 4.672 1.00 0.00 N ATOM 1814 CA ALA B 25 13.690 4.684 5.519 1.00 0.00 C ATOM 1815 C ALA B 25 14.142 4.755 6.961 1.00 0.00 C ATOM 1816 O ALA B 25 13.404 5.175 7.853 1.00 0.00 O ATOM 1817 CB ALA B 25 12.886 3.418 5.264 1.00 0.00 C ATOM 0 H ALA B 25 15.081 3.841 4.204 1.00 0.00 H new ATOM 0 HA ALA B 25 13.041 5.530 5.294 1.00 0.00 H new ATOM 0 HB1 ALA B 25 12.007 3.409 5.909 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.571 3.391 4.221 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.503 2.546 5.479 1.00 0.00 H new ATOM 1823 N THR B 26 15.390 4.354 7.159 1.00 0.00 N ATOM 1824 CA THR B 26 16.012 4.372 8.465 1.00 0.00 C ATOM 1825 C THR B 26 16.450 5.789 8.802 1.00 0.00 C ATOM 1826 O THR B 26 16.264 6.260 9.923 1.00 0.00 O ATOM 1827 CB THR B 26 17.213 3.433 8.477 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.896 2.203 7.848 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.709 3.121 9.866 1.00 0.00 C ATOM 0 H THR B 26 15.996 4.008 6.415 1.00 0.00 H new ATOM 0 HA THR B 26 15.294 4.035 9.213 1.00 0.00 H new ATOM 0 HB THR B 26 17.998 3.961 7.936 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.845 2.335 6.878 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.564 2.448 9.804 1.00 0.00 H new ATOM 0 HG22 THR B 26 18.009 4.045 10.361 1.00 0.00 H new ATOM 0 HG23 THR B 26 16.913 2.644 10.438 1.00 0.00 H new ATOM 1837 N GLN B 27 17.019 6.471 7.811 1.00 0.00 N ATOM 1838 CA GLN B 27 17.465 7.845 7.990 1.00 0.00 C ATOM 1839 C GLN B 27 16.315 8.690 8.516 1.00 0.00 C ATOM 1840 O GLN B 27 16.468 9.449 9.472 1.00 0.00 O ATOM 1841 CB GLN B 27 17.981 8.417 6.668 1.00 0.00 C ATOM 1842 CG GLN B 27 19.489 8.608 6.631 1.00 0.00 C ATOM 1843 CD GLN B 27 19.896 10.067 6.712 1.00 0.00 C ATOM 1844 OE1 GLN B 27 18.946 10.960 6.459 1.00 0.00 O flip ATOM 1845 NE2 GLN B 27 21.049 10.388 6.995 1.00 0.00 N flip ATOM 0 H GLN B 27 17.181 6.093 6.878 1.00 0.00 H new ATOM 0 HA GLN B 27 18.282 7.861 8.712 1.00 0.00 H new ATOM 0 HB2 GLN B 27 17.688 7.752 5.856 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.498 9.377 6.484 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.941 8.062 7.459 1.00 0.00 H new ATOM 0 HG3 GLN B 27 19.884 8.175 5.712 1.00 0.00 H new ATOM 0 HE21 GLN B 27 21.747 9.669 7.182 1.00 0.00 H new ATOM 0 HE22 GLN B 27 21.307 11.374 7.043 1.00 0.00 H new ATOM 1854 N ALA B 28 15.154 8.529 7.892 1.00 0.00 N ATOM 1855 CA ALA B 28 13.960 9.254 8.302 1.00 0.00 C ATOM 1856 C ALA B 28 13.476 8.740 9.652 1.00 0.00 C ATOM 1857 O ALA B 28 13.000 9.505 10.490 1.00 0.00 O ATOM 1858 CB ALA B 28 12.865 9.102 7.258 1.00 0.00 C ATOM 0 H ALA B 28 15.015 7.902 7.100 1.00 0.00 H new ATOM 0 HA ALA B 28 14.206 10.312 8.395 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.978 9.649 7.578 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.213 9.501 6.305 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.617 8.047 7.141 1.00 0.00 H new ATOM 1864 N LEU B 29 13.612 7.432 9.849 1.00 0.00 N ATOM 1865 CA LEU B 29 13.200 6.793 11.092 1.00 0.00 C ATOM 1866 C LEU B 29 13.927 7.400 12.286 1.00 0.00 C ATOM 1867 O LEU B 29 13.304 7.826 13.259 1.00 0.00 O ATOM 1868 CB LEU B 29 13.475 5.295 11.024 1.00 0.00 C ATOM 1869 CG LEU B 29 12.343 4.474 10.418 1.00 0.00 C ATOM 1870 CD1 LEU B 29 12.887 3.204 9.796 1.00 0.00 C ATOM 1871 CD2 LEU B 29 11.297 4.152 11.470 1.00 0.00 C ATOM 0 H LEU B 29 14.006 6.792 9.159 1.00 0.00 H new ATOM 0 HA LEU B 29 12.131 6.959 11.222 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.380 5.130 10.440 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.675 4.928 12.031 1.00 0.00 H new ATOM 0 HG LEU B 29 11.867 5.064 9.634 1.00 0.00 H new ATOM 0 HD11 LEU B 29 12.067 2.628 9.367 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.600 3.459 9.012 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.387 2.609 10.561 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.496 3.565 11.019 1.00 0.00 H new ATOM 0 HD22 LEU B 29 11.756 3.580 12.276 1.00 0.00 H new ATOM 0 HD23 LEU B 29 10.886 5.079 11.871 1.00 0.00 H new ATOM 1883 N GLU B 30 15.252 7.436 12.200 1.00 0.00 N ATOM 1884 CA GLU B 30 16.076 7.989 13.265 1.00 0.00 C ATOM 1885 C GLU B 30 15.873 9.495 13.373 1.00 0.00 C ATOM 1886 O GLU B 30 15.967 10.070 14.457 1.00 0.00 O ATOM 1887 CB GLU B 30 17.550 7.671 13.008 1.00 0.00 C ATOM 1888 CG GLU B 30 18.199 6.861 14.118 1.00 0.00 C ATOM 1889 CD GLU B 30 18.767 7.733 15.220 1.00 0.00 C ATOM 1890 OE1 GLU B 30 19.358 8.785 14.899 1.00 0.00 O ATOM 1891 OE2 GLU B 30 18.620 7.363 16.404 1.00 0.00 O ATOM 0 H GLU B 30 15.779 7.087 11.400 1.00 0.00 H new ATOM 0 HA GLU B 30 15.775 7.533 14.208 1.00 0.00 H new ATOM 0 HB2 GLU B 30 17.637 7.122 12.070 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.098 8.605 12.883 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.463 6.179 14.543 1.00 0.00 H new ATOM 0 HG3 GLU B 30 18.996 6.248 13.697 1.00 0.00 H new ATOM 1898 N LYS B 31 15.581 10.127 12.240 1.00 0.00 N ATOM 1899 CA LYS B 31 15.351 11.565 12.206 1.00 0.00 C ATOM 1900 C LYS B 31 13.973 11.893 12.765 1.00 0.00 C ATOM 1901 O LYS B 31 13.736 12.992 13.267 1.00 0.00 O ATOM 1902 CB LYS B 31 15.471 12.091 10.775 1.00 0.00 C ATOM 1903 CG LYS B 31 16.869 11.964 10.196 1.00 0.00 C ATOM 1904 CD LYS B 31 17.879 12.767 10.999 1.00 0.00 C ATOM 1905 CE LYS B 31 18.167 14.111 10.349 1.00 0.00 C ATOM 1906 NZ LYS B 31 18.600 15.129 11.346 1.00 0.00 N ATOM 0 H LYS B 31 15.498 9.665 11.334 1.00 0.00 H new ATOM 0 HA LYS B 31 16.108 12.049 12.823 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.772 11.549 10.138 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.173 13.139 10.756 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.165 10.915 10.183 1.00 0.00 H new ATOM 0 HG3 LYS B 31 16.868 12.308 9.162 1.00 0.00 H new ATOM 0 HD2 LYS B 31 17.500 12.924 12.009 1.00 0.00 H new ATOM 0 HD3 LYS B 31 18.806 12.200 11.091 1.00 0.00 H new ATOM 0 HE2 LYS B 31 18.943 13.990 9.593 1.00 0.00 H new ATOM 0 HE3 LYS B 31 17.273 14.464 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 18.786 16.031 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 17.849 15.264 12.053 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.467 14.804 11.820 1.00 0.00 H new ATOM 1920 N TYR B 32 13.066 10.925 12.676 1.00 0.00 N ATOM 1921 CA TYR B 32 11.706 11.098 13.172 1.00 0.00 C ATOM 1922 C TYR B 32 10.940 9.781 13.127 1.00 0.00 C ATOM 1923 O TYR B 32 10.968 9.070 12.123 1.00 0.00 O ATOM 1924 CB TYR B 32 10.963 12.157 12.352 1.00 0.00 C ATOM 1925 CG TYR B 32 11.762 12.715 11.194 1.00 0.00 C ATOM 1926 CD1 TYR B 32 11.972 11.968 10.041 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.298 13.996 11.253 1.00 0.00 C ATOM 1928 CE1 TYR B 32 12.696 12.482 8.981 1.00 0.00 C ATOM 1929 CE2 TYR B 32 13.023 14.515 10.198 1.00 0.00 C ATOM 1930 CZ TYR B 32 13.219 13.756 9.066 1.00 0.00 C ATOM 1931 OH TYR B 32 13.938 14.273 8.012 1.00 0.00 O ATOM 0 H TYR B 32 13.250 10.010 12.264 1.00 0.00 H new ATOM 0 HA TYR B 32 11.769 11.431 14.208 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.041 11.722 11.967 1.00 0.00 H new ATOM 0 HB3 TYR B 32 10.678 12.977 13.011 1.00 0.00 H new ATOM 0 HD1 TYR B 32 11.563 10.971 9.972 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.145 14.595 12.138 1.00 0.00 H new ATOM 0 HE1 TYR B 32 12.851 11.890 8.091 1.00 0.00 H new ATOM 0 HE2 TYR B 32 13.434 15.512 10.261 1.00 0.00 H new ATOM 0 HH TYR B 32 14.235 15.181 8.232 1.00 0.00 H new ATOM 1941 N ASN B 33 10.251 9.464 14.219 1.00 0.00 N ATOM 1942 CA ASN B 33 9.471 8.235 14.297 1.00 0.00 C ATOM 1943 C ASN B 33 8.030 8.487 13.873 1.00 0.00 C ATOM 1944 O ASN B 33 7.112 7.782 14.293 1.00 0.00 O ATOM 1945 CB ASN B 33 9.509 7.666 15.716 1.00 0.00 C ATOM 1946 CG ASN B 33 9.421 6.152 15.736 1.00 0.00 C ATOM 1947 OD1 ASN B 33 8.331 5.583 15.801 1.00 0.00 O ATOM 1948 ND2 ASN B 33 10.571 5.491 15.681 1.00 0.00 N ATOM 0 H ASN B 33 10.217 10.040 15.060 1.00 0.00 H new ATOM 0 HA ASN B 33 9.912 7.508 13.616 1.00 0.00 H new ATOM 0 HB2 ASN B 33 10.431 7.980 16.205 1.00 0.00 H new ATOM 0 HB3 ASN B 33 8.684 8.083 16.293 1.00 0.00 H new ATOM 0 HD21 ASN B 33 10.574 4.471 15.692 1.00 0.00 H new ATOM 0 HD22 ASN B 33 11.452 6.003 15.628 1.00 0.00 H new ATOM 1955 N ILE B 34 7.846 9.497 13.034 1.00 0.00 N ATOM 1956 CA ILE B 34 6.524 9.856 12.538 1.00 0.00 C ATOM 1957 C ILE B 34 6.272 9.227 11.173 1.00 0.00 C ATOM 1958 O ILE B 34 6.795 9.691 10.162 1.00 0.00 O ATOM 1959 CB ILE B 34 6.362 11.383 12.423 1.00 0.00 C ATOM 1960 CG1 ILE B 34 6.636 12.048 13.770 1.00 0.00 C ATOM 1961 CG2 ILE B 34 4.970 11.736 11.925 1.00 0.00 C ATOM 1962 CD1 ILE B 34 5.791 11.492 14.888 1.00 0.00 C ATOM 0 H ILE B 34 8.600 10.086 12.681 1.00 0.00 H new ATOM 0 HA ILE B 34 5.798 9.477 13.257 1.00 0.00 H new ATOM 0 HB ILE B 34 7.088 11.755 11.700 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.689 11.923 14.022 1.00 0.00 H new ATOM 0 HG13 ILE B 34 6.454 13.119 13.683 1.00 0.00 H new ATOM 0 HG21 ILE B 34 4.874 12.819 11.850 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.810 11.289 10.944 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.226 11.353 12.623 1.00 0.00 H new ATOM 0 HD11 ILE B 34 6.034 12.006 15.818 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.736 11.641 14.656 1.00 0.00 H new ATOM 0 HD13 ILE B 34 5.991 10.426 15.000 1.00 0.00 H new ATOM 1974 N GLU B 35 5.474 8.165 11.153 1.00 0.00 N ATOM 1975 CA GLU B 35 5.157 7.468 9.912 1.00 0.00 C ATOM 1976 C GLU B 35 5.179 8.428 8.725 1.00 0.00 C ATOM 1977 O GLU B 35 6.072 8.365 7.882 1.00 0.00 O ATOM 1978 CB GLU B 35 3.788 6.798 10.019 1.00 0.00 C ATOM 1979 CG GLU B 35 3.792 5.551 10.889 1.00 0.00 C ATOM 1980 CD GLU B 35 4.598 5.733 12.159 1.00 0.00 C ATOM 1981 OE1 GLU B 35 5.843 5.654 12.089 1.00 0.00 O ATOM 1982 OE2 GLU B 35 3.986 5.955 13.225 1.00 0.00 O ATOM 0 H GLU B 35 5.034 7.768 11.983 1.00 0.00 H new ATOM 0 HA GLU B 35 5.917 6.704 9.748 1.00 0.00 H new ATOM 0 HB2 GLU B 35 3.073 7.513 10.425 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.442 6.534 9.020 1.00 0.00 H new ATOM 0 HG2 GLU B 35 2.766 5.289 11.148 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.200 4.716 10.320 1.00 0.00 H new ATOM 1989 N LYS B 36 4.193 9.317 8.666 1.00 0.00 N ATOM 1990 CA LYS B 36 4.108 10.290 7.584 1.00 0.00 C ATOM 1991 C LYS B 36 5.451 10.977 7.367 1.00 0.00 C ATOM 1992 O LYS B 36 5.980 10.994 6.256 1.00 0.00 O ATOM 1993 CB LYS B 36 3.031 11.330 7.892 1.00 0.00 C ATOM 1994 CG LYS B 36 2.037 10.875 8.948 1.00 0.00 C ATOM 1995 CD LYS B 36 1.583 12.032 9.823 1.00 0.00 C ATOM 1996 CE LYS B 36 0.115 11.900 10.198 1.00 0.00 C ATOM 1997 NZ LYS B 36 -0.067 11.656 11.656 1.00 0.00 N ATOM 0 H LYS B 36 3.443 9.383 9.354 1.00 0.00 H new ATOM 0 HA LYS B 36 3.840 9.761 6.669 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.510 12.250 8.227 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.492 11.567 6.975 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.172 10.423 8.463 1.00 0.00 H new ATOM 0 HG3 LYS B 36 2.493 10.105 9.570 1.00 0.00 H new ATOM 0 HD2 LYS B 36 2.190 12.066 10.728 1.00 0.00 H new ATOM 0 HD3 LYS B 36 1.743 12.973 9.297 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -0.415 12.809 9.913 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -0.331 11.081 9.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -1.081 11.572 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 0.417 10.775 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 0.336 12.450 12.194 1.00 0.00 H new ATOM 2011 N ASP B 37 6.000 11.540 8.438 1.00 0.00 N ATOM 2012 CA ASP B 37 7.284 12.225 8.367 1.00 0.00 C ATOM 2013 C ASP B 37 8.315 11.361 7.648 1.00 0.00 C ATOM 2014 O ASP B 37 8.830 11.736 6.594 1.00 0.00 O ATOM 2015 CB ASP B 37 7.778 12.573 9.774 1.00 0.00 C ATOM 2016 CG ASP B 37 8.743 13.741 9.773 1.00 0.00 C ATOM 2017 OD1 ASP B 37 9.139 14.183 8.674 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.105 14.213 10.870 1.00 0.00 O ATOM 0 H ASP B 37 5.575 11.535 9.365 1.00 0.00 H new ATOM 0 HA ASP B 37 7.150 13.147 7.802 1.00 0.00 H new ATOM 0 HB2 ASP B 37 6.924 12.811 10.408 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.266 11.702 10.211 1.00 0.00 H new ATOM 2023 N ILE B 38 8.609 10.200 8.223 1.00 0.00 N ATOM 2024 CA ILE B 38 9.574 9.278 7.641 1.00 0.00 C ATOM 2025 C ILE B 38 9.364 9.143 6.136 1.00 0.00 C ATOM 2026 O ILE B 38 10.305 9.281 5.353 1.00 0.00 O ATOM 2027 CB ILE B 38 9.476 7.886 8.292 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.390 8.021 9.812 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.668 7.029 7.896 1.00 0.00 C ATOM 2030 CD1 ILE B 38 8.977 6.744 10.511 1.00 0.00 C ATOM 0 H ILE B 38 8.190 9.875 9.095 1.00 0.00 H new ATOM 0 HA ILE B 38 10.565 9.690 7.829 1.00 0.00 H new ATOM 0 HB ILE B 38 8.570 7.395 7.936 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.360 8.338 10.196 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.677 8.807 10.059 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.583 6.049 8.365 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.688 6.913 6.812 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.588 7.511 8.227 1.00 0.00 H new ATOM 0 HD11 ILE B 38 8.937 6.915 11.587 1.00 0.00 H new ATOM 0 HD12 ILE B 38 7.994 6.436 10.156 1.00 0.00 H new ATOM 0 HD13 ILE B 38 9.703 5.960 10.295 1.00 0.00 H new ATOM 2042 N ALA B 39 8.124 8.875 5.736 1.00 0.00 N ATOM 2043 CA ALA B 39 7.792 8.726 4.325 1.00 0.00 C ATOM 2044 C ALA B 39 8.231 9.949 3.529 1.00 0.00 C ATOM 2045 O ALA B 39 8.858 9.827 2.477 1.00 0.00 O ATOM 2046 CB ALA B 39 6.299 8.491 4.156 1.00 0.00 C ATOM 0 H ALA B 39 7.334 8.757 6.370 1.00 0.00 H new ATOM 0 HA ALA B 39 8.330 7.860 3.939 1.00 0.00 H new ATOM 0 HB1 ALA B 39 6.065 8.382 3.097 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.011 7.584 4.687 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.749 9.339 4.563 1.00 0.00 H new ATOM 2052 N ALA B 40 7.902 11.130 4.042 1.00 0.00 N ATOM 2053 CA ALA B 40 8.268 12.377 3.385 1.00 0.00 C ATOM 2054 C ALA B 40 9.782 12.490 3.253 1.00 0.00 C ATOM 2055 O ALA B 40 10.307 12.749 2.170 1.00 0.00 O ATOM 2056 CB ALA B 40 7.712 13.564 4.157 1.00 0.00 C ATOM 0 H ALA B 40 7.382 11.248 4.912 1.00 0.00 H new ATOM 0 HA ALA B 40 7.836 12.379 2.384 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.994 14.489 3.654 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.625 13.492 4.202 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.118 13.563 5.168 1.00 0.00 H new ATOM 2062 N HIS B 41 10.473 12.285 4.367 1.00 0.00 N ATOM 2063 CA HIS B 41 11.929 12.353 4.395 1.00 0.00 C ATOM 2064 C HIS B 41 12.532 11.449 3.325 1.00 0.00 C ATOM 2065 O HIS B 41 13.384 11.875 2.545 1.00 0.00 O ATOM 2066 CB HIS B 41 12.441 11.946 5.782 1.00 0.00 C ATOM 2067 CG HIS B 41 13.881 11.526 5.811 1.00 0.00 C ATOM 2068 ND1 HIS B 41 14.809 12.082 6.667 1.00 0.00 N ATOM 2069 CD2 HIS B 41 14.550 10.594 5.091 1.00 0.00 C ATOM 2070 CE1 HIS B 41 15.984 11.511 6.471 1.00 0.00 C ATOM 2071 NE2 HIS B 41 15.854 10.604 5.520 1.00 0.00 N ATOM 0 H HIS B 41 10.046 12.069 5.268 1.00 0.00 H new ATOM 0 HA HIS B 41 12.234 13.378 4.187 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.305 12.783 6.466 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.828 11.126 6.156 1.00 0.00 H new ATOM 0 HD1 HIS B 41 14.618 12.819 7.346 1.00 0.00 H new ATOM 0 HD2 HIS B 41 14.134 9.960 4.322 1.00 0.00 H new ATOM 0 HE1 HIS B 41 16.896 11.746 6.999 1.00 0.00 H new ATOM 2080 N ILE B 42 12.088 10.197 3.302 1.00 0.00 N ATOM 2081 CA ILE B 42 12.586 9.223 2.339 1.00 0.00 C ATOM 2082 C ILE B 42 12.325 9.667 0.904 1.00 0.00 C ATOM 2083 O ILE B 42 13.253 10.018 0.178 1.00 0.00 O ATOM 2084 CB ILE B 42 11.940 7.843 2.563 1.00 0.00 C ATOM 2085 CG1 ILE B 42 12.185 7.367 3.995 1.00 0.00 C ATOM 2086 CG2 ILE B 42 12.485 6.833 1.563 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.109 6.439 4.516 1.00 0.00 C ATOM 0 H ILE B 42 11.382 9.832 3.942 1.00 0.00 H new ATOM 0 HA ILE B 42 13.662 9.150 2.495 1.00 0.00 H new ATOM 0 HB ILE B 42 10.865 7.933 2.409 1.00 0.00 H new ATOM 0 HG12 ILE B 42 13.147 6.856 4.040 1.00 0.00 H new ATOM 0 HG13 ILE B 42 12.254 8.235 4.651 1.00 0.00 H new ATOM 0 HG21 ILE B 42 12.019 5.863 1.735 1.00 0.00 H new ATOM 0 HG22 ILE B 42 12.263 7.168 0.550 1.00 0.00 H new ATOM 0 HG23 ILE B 42 13.564 6.744 1.687 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.348 6.141 5.537 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.148 6.953 4.504 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.055 5.553 3.883 1.00 0.00 H new ATOM 2099 N LYS B 43 11.060 9.647 0.497 1.00 0.00 N ATOM 2100 CA LYS B 43 10.689 10.044 -0.858 1.00 0.00 C ATOM 2101 C LYS B 43 11.519 11.235 -1.323 1.00 0.00 C ATOM 2102 O LYS B 43 11.845 11.354 -2.504 1.00 0.00 O ATOM 2103 CB LYS B 43 9.201 10.391 -0.923 1.00 0.00 C ATOM 2104 CG LYS B 43 8.762 10.918 -2.280 1.00 0.00 C ATOM 2105 CD LYS B 43 8.279 12.356 -2.188 1.00 0.00 C ATOM 2106 CE LYS B 43 8.074 12.966 -3.565 1.00 0.00 C ATOM 2107 NZ LYS B 43 9.113 12.515 -4.532 1.00 0.00 N ATOM 0 H LYS B 43 10.276 9.361 1.084 1.00 0.00 H new ATOM 0 HA LYS B 43 10.888 9.203 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.618 9.503 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS B 43 8.976 11.138 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS B 43 9.594 10.856 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS B 43 7.964 10.289 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS B 43 7.343 12.391 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS B 43 9.004 12.949 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS B 43 7.087 12.694 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS B 43 8.097 14.053 -3.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 9.110 13.142 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 10.048 12.547 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 8.908 11.541 -4.833 1.00 0.00 H new ATOM 2121 N LYS B 44 11.856 12.116 -0.388 1.00 0.00 N ATOM 2122 CA LYS B 44 12.647 13.300 -0.702 1.00 0.00 C ATOM 2123 C LYS B 44 14.076 12.921 -1.071 1.00 0.00 C ATOM 2124 O LYS B 44 14.540 13.197 -2.180 1.00 0.00 O ATOM 2125 CB LYS B 44 12.652 14.260 0.489 1.00 0.00 C ATOM 2126 CG LYS B 44 12.814 15.718 0.095 1.00 0.00 C ATOM 2127 CD LYS B 44 13.183 16.578 1.292 1.00 0.00 C ATOM 2128 CE LYS B 44 13.711 17.937 0.860 1.00 0.00 C ATOM 2129 NZ LYS B 44 12.609 18.888 0.547 1.00 0.00 N ATOM 0 H LYS B 44 11.594 12.033 0.594 1.00 0.00 H new ATOM 0 HA LYS B 44 12.192 13.795 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS B 44 11.720 14.143 1.043 1.00 0.00 H new ATOM 0 HB3 LYS B 44 13.461 13.983 1.165 1.00 0.00 H new ATOM 0 HG2 LYS B 44 13.585 15.806 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.886 16.083 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS B 44 12.308 16.712 1.929 1.00 0.00 H new ATOM 0 HD3 LYS B 44 13.937 16.067 1.890 1.00 0.00 H new ATOM 0 HE2 LYS B 44 14.335 18.352 1.652 1.00 0.00 H new ATOM 0 HE3 LYS B 44 14.347 17.817 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 13.011 19.802 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 12.028 18.504 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 12.017 19.023 1.391 1.00 0.00 H new ATOM 2143 N GLU B 45 14.769 12.287 -0.134 1.00 0.00 N ATOM 2144 CA GLU B 45 16.148 11.868 -0.353 1.00 0.00 C ATOM 2145 C GLU B 45 16.235 10.860 -1.493 1.00 0.00 C ATOM 2146 O GLU B 45 17.275 10.726 -2.135 1.00 0.00 O ATOM 2147 CB GLU B 45 16.730 11.266 0.927 1.00 0.00 C ATOM 2148 CG GLU B 45 17.078 12.304 1.982 1.00 0.00 C ATOM 2149 CD GLU B 45 17.719 13.544 1.390 1.00 0.00 C ATOM 2150 OE1 GLU B 45 16.977 14.414 0.887 1.00 0.00 O ATOM 2151 OE2 GLU B 45 18.964 13.643 1.426 1.00 0.00 O ATOM 0 H GLU B 45 14.398 12.051 0.787 1.00 0.00 H new ATOM 0 HA GLU B 45 16.731 12.748 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU B 45 16.013 10.560 1.346 1.00 0.00 H new ATOM 0 HB3 GLU B 45 17.627 10.699 0.677 1.00 0.00 H new ATOM 0 HG2 GLU B 45 16.173 12.588 2.519 1.00 0.00 H new ATOM 0 HG3 GLU B 45 17.756 11.862 2.712 1.00 0.00 H new ATOM 2158 N PHE B 46 15.136 10.157 -1.742 1.00 0.00 N ATOM 2159 CA PHE B 46 15.088 9.166 -2.808 1.00 0.00 C ATOM 2160 C PHE B 46 14.958 9.845 -4.166 1.00 0.00 C ATOM 2161 O PHE B 46 15.564 9.415 -5.148 1.00 0.00 O ATOM 2162 CB PHE B 46 13.916 8.207 -2.589 1.00 0.00 C ATOM 2163 CG PHE B 46 14.341 6.800 -2.284 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.644 6.420 -0.987 1.00 0.00 C ATOM 2165 CD2 PHE B 46 14.436 5.858 -3.294 1.00 0.00 C ATOM 2166 CE1 PHE B 46 15.034 5.126 -0.703 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.826 4.561 -3.017 1.00 0.00 C ATOM 2168 CZ PHE B 46 15.125 4.195 -1.720 1.00 0.00 C ATOM 0 H PHE B 46 14.266 10.256 -1.219 1.00 0.00 H new ATOM 0 HA PHE B 46 16.018 8.598 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE B 46 13.302 8.578 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE B 46 13.289 8.203 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.574 7.144 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE B 46 14.203 6.140 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.268 4.842 0.313 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.897 3.835 -3.814 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.430 3.182 -1.500 1.00 0.00 H new ATOM 2178 N ASP B 47 14.166 10.910 -4.211 1.00 0.00 N ATOM 2179 CA ASP B 47 13.958 11.654 -5.446 1.00 0.00 C ATOM 2180 C ASP B 47 15.248 12.333 -5.890 1.00 0.00 C ATOM 2181 O ASP B 47 15.525 12.441 -7.085 1.00 0.00 O ATOM 2182 CB ASP B 47 12.858 12.699 -5.254 1.00 0.00 C ATOM 2183 CG ASP B 47 13.380 13.979 -4.631 1.00 0.00 C ATOM 2184 OD1 ASP B 47 14.235 14.639 -5.258 1.00 0.00 O ATOM 2185 OD2 ASP B 47 12.937 14.319 -3.513 1.00 0.00 O ATOM 0 H ASP B 47 13.658 11.277 -3.406 1.00 0.00 H new ATOM 0 HA ASP B 47 13.651 10.952 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP B 47 12.404 12.926 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP B 47 12.073 12.284 -4.622 1.00 0.00 H new ATOM 2190 N LYS B 48 16.032 12.791 -4.920 1.00 0.00 N ATOM 2191 CA LYS B 48 17.292 13.463 -5.213 1.00 0.00 C ATOM 2192 C LYS B 48 18.442 12.463 -5.315 1.00 0.00 C ATOM 2193 O LYS B 48 19.382 12.663 -6.084 1.00 0.00 O ATOM 2194 CB LYS B 48 17.601 14.503 -4.135 1.00 0.00 C ATOM 2195 CG LYS B 48 17.031 15.878 -4.436 1.00 0.00 C ATOM 2196 CD LYS B 48 17.780 16.553 -5.573 1.00 0.00 C ATOM 2197 CE LYS B 48 19.260 16.698 -5.255 1.00 0.00 C ATOM 2198 NZ LYS B 48 19.522 17.835 -4.332 1.00 0.00 N ATOM 0 H LYS B 48 15.818 12.709 -3.926 1.00 0.00 H new ATOM 0 HA LYS B 48 17.188 13.963 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS B 48 17.204 14.155 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS B 48 18.682 14.584 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.977 15.787 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS B 48 17.086 16.500 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS B 48 17.658 15.971 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS B 48 17.349 17.536 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS B 48 19.627 15.775 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS B 48 19.817 16.846 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 20.542 17.899 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 19.196 18.720 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 19.011 17.682 -3.439 1.00 0.00 H new ATOM 2212 N LYS B 49 18.360 11.389 -4.537 1.00 0.00 N ATOM 2213 CA LYS B 49 19.395 10.361 -4.543 1.00 0.00 C ATOM 2214 C LYS B 49 19.276 9.477 -5.779 1.00 0.00 C ATOM 2215 O LYS B 49 20.256 8.881 -6.227 1.00 0.00 O ATOM 2216 CB LYS B 49 19.297 9.504 -3.280 1.00 0.00 C ATOM 2217 CG LYS B 49 20.616 8.873 -2.867 1.00 0.00 C ATOM 2218 CD LYS B 49 20.784 7.488 -3.472 1.00 0.00 C ATOM 2219 CE LYS B 49 22.007 7.417 -4.370 1.00 0.00 C ATOM 2220 NZ LYS B 49 23.252 7.161 -3.595 1.00 0.00 N ATOM 0 H LYS B 49 17.589 11.208 -3.895 1.00 0.00 H new ATOM 0 HA LYS B 49 20.365 10.857 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.927 10.121 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS B 49 18.562 8.716 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS B 49 21.441 9.512 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS B 49 20.664 8.805 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS B 49 20.873 6.750 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS B 49 19.894 7.230 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS B 49 21.870 6.626 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS B 49 22.108 8.353 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 24.063 7.120 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 23.397 7.928 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 23.167 6.256 -3.090 1.00 0.00 H new ATOM 2234 N TYR B 50 18.068 9.397 -6.325 1.00 0.00 N ATOM 2235 CA TYR B 50 17.819 8.584 -7.509 1.00 0.00 C ATOM 2236 C TYR B 50 17.066 9.381 -8.569 1.00 0.00 C ATOM 2237 O TYR B 50 17.617 9.698 -9.624 1.00 0.00 O ATOM 2238 CB TYR B 50 17.020 7.334 -7.134 1.00 0.00 C ATOM 2239 CG TYR B 50 17.566 6.601 -5.929 1.00 0.00 C ATOM 2240 CD1 TYR B 50 18.552 5.631 -6.069 1.00 0.00 C ATOM 2241 CD2 TYR B 50 17.097 6.877 -4.650 1.00 0.00 C ATOM 2242 CE1 TYR B 50 19.053 4.958 -4.972 1.00 0.00 C ATOM 2243 CE2 TYR B 50 17.594 6.209 -3.548 1.00 0.00 C ATOM 2244 CZ TYR B 50 18.572 5.251 -3.713 1.00 0.00 C ATOM 2245 OH TYR B 50 19.069 4.582 -2.619 1.00 0.00 O ATOM 0 H TYR B 50 17.247 9.885 -5.967 1.00 0.00 H new ATOM 0 HA TYR B 50 18.782 8.284 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.987 7.620 -6.937 1.00 0.00 H new ATOM 0 HB3 TYR B 50 17.005 6.654 -7.986 1.00 0.00 H new ATOM 0 HD1 TYR B 50 18.933 5.400 -7.053 1.00 0.00 H new ATOM 0 HD2 TYR B 50 16.331 7.626 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR B 50 19.818 4.206 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR B 50 17.218 6.436 -2.561 1.00 0.00 H new ATOM 0 HH TYR B 50 18.626 4.907 -1.808 1.00 0.00 H new ATOM 2255 N ASN B 51 15.806 9.699 -8.273 1.00 0.00 N ATOM 2256 CA ASN B 51 14.951 10.456 -9.183 1.00 0.00 C ATOM 2257 C ASN B 51 13.483 10.150 -8.903 1.00 0.00 C ATOM 2258 O ASN B 51 13.051 9.002 -9.016 1.00 0.00 O ATOM 2259 CB ASN B 51 15.273 10.125 -10.642 1.00 0.00 C ATOM 2260 CG ASN B 51 15.595 11.361 -11.458 1.00 0.00 C ATOM 2261 OD1 ASN B 51 16.118 12.346 -10.935 1.00 0.00 O ATOM 2262 ND2 ASN B 51 15.283 11.318 -12.748 1.00 0.00 N ATOM 0 H ASN B 51 15.351 9.439 -7.398 1.00 0.00 H new ATOM 0 HA ASN B 51 15.140 11.517 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN B 51 16.119 9.439 -10.678 1.00 0.00 H new ATOM 0 HB3 ASN B 51 14.424 9.608 -11.090 1.00 0.00 H new ATOM 0 HD21 ASN B 51 15.476 12.121 -13.346 1.00 0.00 H new ATOM 0 HD22 ASN B 51 14.851 10.482 -13.141 1.00 0.00 H new ATOM 2269 N PRO B 52 12.690 11.168 -8.531 1.00 0.00 N ATOM 2270 CA PRO B 52 11.267 10.985 -8.236 1.00 0.00 C ATOM 2271 C PRO B 52 10.487 10.448 -9.440 1.00 0.00 C ATOM 2272 O PRO B 52 11.051 10.295 -10.523 1.00 0.00 O ATOM 2273 CB PRO B 52 10.784 12.392 -7.865 1.00 0.00 C ATOM 2274 CG PRO B 52 11.807 13.317 -8.428 1.00 0.00 C ATOM 2275 CD PRO B 52 13.109 12.570 -8.369 1.00 0.00 C ATOM 0 HA PRO B 52 11.111 10.251 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO B 52 9.798 12.593 -8.284 1.00 0.00 H new ATOM 0 HB3 PRO B 52 10.701 12.508 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.561 13.595 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.859 14.240 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO B 52 13.790 12.882 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO B 52 13.625 12.731 -7.422 1.00 0.00 H new ATOM 2283 N THR B 53 9.189 10.158 -9.260 1.00 0.00 N ATOM 2284 CA THR B 53 8.504 10.334 -7.978 1.00 0.00 C ATOM 2285 C THR B 53 8.376 9.001 -7.253 1.00 0.00 C ATOM 2286 O THR B 53 7.964 8.002 -7.840 1.00 0.00 O ATOM 2287 CB THR B 53 7.122 10.959 -8.193 1.00 0.00 C ATOM 2288 OG1 THR B 53 7.230 12.360 -8.373 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.159 10.719 -7.048 1.00 0.00 C ATOM 0 H THR B 53 8.589 9.795 -10.001 1.00 0.00 H new ATOM 0 HA THR B 53 9.098 11.007 -7.360 1.00 0.00 H new ATOM 0 HB THR B 53 6.725 10.470 -9.083 1.00 0.00 H new ATOM 0 HG1 THR B 53 6.338 12.742 -8.511 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.202 11.191 -7.272 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.012 9.647 -6.914 1.00 0.00 H new ATOM 0 HG23 THR B 53 6.569 11.146 -6.133 1.00 0.00 H new ATOM 2297 N TRP B 54 8.743 8.990 -5.978 1.00 0.00 N ATOM 2298 CA TRP B 54 8.681 7.774 -5.181 1.00 0.00 C ATOM 2299 C TRP B 54 7.482 7.768 -4.241 1.00 0.00 C ATOM 2300 O TRP B 54 7.521 8.370 -3.167 1.00 0.00 O ATOM 2301 CB TRP B 54 9.966 7.613 -4.370 1.00 0.00 C ATOM 2302 CG TRP B 54 11.192 7.516 -5.220 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.842 8.542 -5.843 1.00 0.00 C ATOM 2304 CD2 TRP B 54 11.917 6.326 -5.544 1.00 0.00 C ATOM 2305 NE1 TRP B 54 12.926 8.061 -6.536 1.00 0.00 N ATOM 2306 CE2 TRP B 54 12.992 6.703 -6.367 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.759 4.977 -5.215 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.906 5.780 -6.869 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.666 4.062 -5.714 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.728 4.467 -6.532 1.00 0.00 C ATOM 0 H TRP B 54 9.086 9.808 -5.475 1.00 0.00 H new ATOM 0 HA TRP B 54 8.570 6.938 -5.872 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.068 8.460 -3.692 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.888 6.718 -3.753 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.547 9.580 -5.798 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.576 8.623 -7.086 1.00 0.00 H new ATOM 0 HE3 TRP B 54 10.944 4.656 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.725 6.090 -7.501 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.554 3.016 -5.469 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.421 3.727 -6.904 1.00 0.00 H new ATOM 2321 N HIS B 55 6.432 7.053 -4.631 1.00 0.00 N ATOM 2322 CA HIS B 55 5.245 6.939 -3.796 1.00 0.00 C ATOM 2323 C HIS B 55 5.563 6.021 -2.626 1.00 0.00 C ATOM 2324 O HIS B 55 5.487 4.798 -2.745 1.00 0.00 O ATOM 2325 CB HIS B 55 4.066 6.388 -4.602 1.00 0.00 C ATOM 2326 CG HIS B 55 3.702 7.236 -5.781 1.00 0.00 C ATOM 2327 ND1 HIS B 55 2.547 7.052 -6.514 1.00 0.00 N ATOM 2328 CD2 HIS B 55 4.348 8.278 -6.355 1.00 0.00 C ATOM 2329 CE1 HIS B 55 2.500 7.944 -7.488 1.00 0.00 C ATOM 2330 NE2 HIS B 55 3.580 8.700 -7.413 1.00 0.00 N ATOM 0 H HIS B 55 6.380 6.547 -5.515 1.00 0.00 H new ATOM 0 HA HIS B 55 4.962 7.925 -3.428 1.00 0.00 H new ATOM 0 HB2 HIS B 55 4.310 5.384 -4.948 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.199 6.298 -3.948 1.00 0.00 H new ATOM 0 HD1 HIS B 55 1.840 6.339 -6.332 1.00 0.00 H new ATOM 0 HD2 HIS B 55 5.291 8.699 -6.040 1.00 0.00 H new ATOM 0 HE1 HIS B 55 1.712 8.039 -8.221 1.00 0.00 H new ATOM 2339 N CYS B 56 5.959 6.615 -1.508 1.00 0.00 N ATOM 2340 CA CYS B 56 6.333 5.841 -0.335 1.00 0.00 C ATOM 2341 C CYS B 56 5.337 6.004 0.800 1.00 0.00 C ATOM 2342 O CYS B 56 4.648 7.019 0.905 1.00 0.00 O ATOM 2343 CB CYS B 56 7.727 6.251 0.142 1.00 0.00 C ATOM 2344 SG CYS B 56 7.720 7.433 1.511 1.00 0.00 S ATOM 0 H CYS B 56 6.029 7.626 -1.390 1.00 0.00 H new ATOM 0 HA CYS B 56 6.335 4.791 -0.627 1.00 0.00 H new ATOM 0 HB2 CYS B 56 8.271 5.358 0.450 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.273 6.685 -0.696 1.00 0.00 H new ATOM 0 HG CYS B 56 8.526 8.416 1.240 1.00 0.00 H new ATOM 2350 N ILE B 57 5.283 4.992 1.653 1.00 0.00 N ATOM 2351 CA ILE B 57 4.391 5.000 2.802 1.00 0.00 C ATOM 2352 C ILE B 57 4.970 4.169 3.939 1.00 0.00 C ATOM 2353 O ILE B 57 5.062 2.946 3.844 1.00 0.00 O ATOM 2354 CB ILE B 57 2.996 4.471 2.439 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.333 5.425 1.445 1.00 0.00 C ATOM 2356 CG2 ILE B 57 2.149 4.315 3.695 1.00 0.00 C ATOM 2357 CD1 ILE B 57 0.898 5.077 1.137 1.00 0.00 C ATOM 0 H ILE B 57 5.851 4.149 1.570 1.00 0.00 H new ATOM 0 HA ILE B 57 4.293 6.036 3.125 1.00 0.00 H new ATOM 0 HB ILE B 57 3.088 3.490 1.973 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.374 6.438 1.844 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.905 5.424 0.517 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.162 3.939 3.424 1.00 0.00 H new ATOM 0 HG22 ILE B 57 2.631 3.612 4.374 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.046 5.282 4.187 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.494 5.797 0.425 1.00 0.00 H new ATOM 0 HD12 ILE B 57 0.850 4.076 0.708 1.00 0.00 H new ATOM 0 HD13 ILE B 57 0.311 5.106 2.055 1.00 0.00 H new ATOM 2369 N VAL B 58 5.371 4.845 5.009 1.00 0.00 N ATOM 2370 CA VAL B 58 5.954 4.174 6.162 1.00 0.00 C ATOM 2371 C VAL B 58 4.983 4.154 7.337 1.00 0.00 C ATOM 2372 O VAL B 58 4.400 5.177 7.695 1.00 0.00 O ATOM 2373 CB VAL B 58 7.272 4.852 6.591 1.00 0.00 C ATOM 2374 CG1 VAL B 58 7.130 6.363 6.545 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.703 4.390 7.977 1.00 0.00 C ATOM 0 H VAL B 58 5.303 5.859 5.101 1.00 0.00 H new ATOM 0 HA VAL B 58 6.166 3.147 5.865 1.00 0.00 H new ATOM 0 HB VAL B 58 8.050 4.557 5.887 1.00 0.00 H new ATOM 0 HG11 VAL B 58 8.068 6.826 6.850 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.885 6.675 5.530 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.334 6.674 7.222 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.635 4.885 8.252 1.00 0.00 H new ATOM 0 HG22 VAL B 58 6.930 4.644 8.702 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.854 3.310 7.970 1.00 0.00 H new ATOM 2385 N GLY B 59 4.821 2.980 7.933 1.00 0.00 N ATOM 2386 CA GLY B 59 3.928 2.836 9.062 1.00 0.00 C ATOM 2387 C GLY B 59 4.393 1.756 10.013 1.00 0.00 C ATOM 2388 O GLY B 59 5.572 1.694 10.361 1.00 0.00 O ATOM 0 H GLY B 59 5.295 2.122 7.652 1.00 0.00 H new ATOM 0 HA2 GLY B 59 3.860 3.785 9.595 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.926 2.599 8.705 1.00 0.00 H new ATOM 2392 N ARG B 60 3.470 0.904 10.438 1.00 0.00 N ATOM 2393 CA ARG B 60 3.803 -0.170 11.353 1.00 0.00 C ATOM 2394 C ARG B 60 2.733 -1.254 11.339 1.00 0.00 C ATOM 2395 O ARG B 60 2.825 -2.238 12.074 1.00 0.00 O ATOM 2396 CB ARG B 60 3.966 0.389 12.759 1.00 0.00 C ATOM 2397 CG ARG B 60 3.159 1.653 13.011 1.00 0.00 C ATOM 2398 CD ARG B 60 3.856 2.567 14.005 1.00 0.00 C ATOM 2399 NE ARG B 60 3.946 1.963 15.332 1.00 0.00 N ATOM 2400 CZ ARG B 60 4.794 2.369 16.271 1.00 0.00 C ATOM 2401 NH1 ARG B 60 5.621 3.377 16.030 1.00 0.00 N ATOM 2402 NH2 ARG B 60 4.816 1.767 17.452 1.00 0.00 N ATOM 0 H ARG B 60 2.488 0.938 10.163 1.00 0.00 H new ATOM 0 HA ARG B 60 4.741 -0.621 11.030 1.00 0.00 H new ATOM 0 HB2 ARG B 60 3.667 -0.372 13.480 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.020 0.600 12.937 1.00 0.00 H new ATOM 0 HG2 ARG B 60 3.008 2.183 12.071 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.172 1.387 13.389 1.00 0.00 H new ATOM 0 HD2 ARG B 60 4.858 2.799 13.644 1.00 0.00 H new ATOM 0 HD3 ARG B 60 3.314 3.511 14.072 1.00 0.00 H new ATOM 0 HE ARG B 60 3.323 1.186 15.550 1.00 0.00 H new ATOM 0 HH11 ARG B 60 5.607 3.842 15.122 1.00 0.00 H new ATOM 0 HH12 ARG B 60 6.271 3.687 16.752 1.00 0.00 H new ATOM 0 HH21 ARG B 60 4.181 0.991 17.641 1.00 0.00 H new ATOM 0 HH22 ARG B 60 5.468 2.080 18.172 1.00 0.00 H new ATOM 2416 N ASN B 61 1.720 -1.072 10.499 1.00 0.00 N ATOM 2417 CA ASN B 61 0.635 -2.039 10.392 1.00 0.00 C ATOM 2418 C ASN B 61 -0.463 -1.534 9.461 1.00 0.00 C ATOM 2419 O ASN B 61 -1.643 -1.808 9.675 1.00 0.00 O ATOM 2420 CB ASN B 61 0.048 -2.332 11.775 1.00 0.00 C ATOM 2421 CG ASN B 61 -0.276 -3.801 11.966 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -1.379 -4.251 11.658 1.00 0.00 O ATOM 2423 ND2 ASN B 61 0.688 -4.557 12.478 1.00 0.00 N ATOM 0 H ASN B 61 1.628 -0.264 9.883 1.00 0.00 H new ATOM 0 HA ASN B 61 1.045 -2.958 9.973 1.00 0.00 H new ATOM 0 HB2 ASN B 61 0.756 -2.016 12.541 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -0.858 -1.742 11.915 1.00 0.00 H new ATOM 0 HD21 ASN B 61 0.529 -5.553 12.630 1.00 0.00 H new ATOM 0 HD22 ASN B 61 1.588 -4.142 12.719 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.072 -0.797 8.426 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.030 -0.262 7.468 1.00 0.00 C ATOM 2432 C PHE B 62 -1.245 -1.238 6.316 1.00 0.00 C ATOM 2433 O PHE B 62 -0.574 -2.264 6.223 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.546 1.082 6.930 1.00 0.00 C ATOM 2435 CG PHE B 62 0.756 0.995 6.187 1.00 0.00 C ATOM 2436 CD1 PHE B 62 0.775 0.731 4.827 1.00 0.00 C ATOM 2437 CD2 PHE B 62 1.959 1.176 6.848 1.00 0.00 C ATOM 2438 CE1 PHE B 62 1.972 0.650 4.140 1.00 0.00 C ATOM 2439 CE2 PHE B 62 3.159 1.094 6.167 1.00 0.00 C ATOM 2440 CZ PHE B 62 3.165 0.832 4.811 1.00 0.00 C ATOM 0 H PHE B 62 0.900 -0.558 8.230 1.00 0.00 H new ATOM 0 HA PHE B 62 -1.981 -0.117 7.981 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.307 1.495 6.267 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.435 1.779 7.761 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -0.155 0.587 4.298 1.00 0.00 H new ATOM 0 HD2 PHE B 62 1.960 1.384 7.908 1.00 0.00 H new ATOM 0 HE1 PHE B 62 1.974 0.445 3.080 1.00 0.00 H new ATOM 0 HE2 PHE B 62 4.091 1.235 6.695 1.00 0.00 H new ATOM 0 HZ PHE B 62 4.101 0.770 4.276 1.00 0.00 H new ATOM 2450 N GLY B 63 -2.185 -0.906 5.438 1.00 0.00 N ATOM 2451 CA GLY B 63 -2.474 -1.757 4.300 1.00 0.00 C ATOM 2452 C GLY B 63 -2.326 -1.019 2.987 1.00 0.00 C ATOM 2453 O GLY B 63 -3.317 -0.671 2.345 1.00 0.00 O ATOM 0 H GLY B 63 -2.753 -0.061 5.495 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -1.803 -2.616 4.310 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -3.489 -2.144 4.386 1.00 0.00 H new ATOM 2457 N SER B 64 -1.083 -0.773 2.592 1.00 0.00 N ATOM 2458 CA SER B 64 -0.802 -0.065 1.351 1.00 0.00 C ATOM 2459 C SER B 64 -1.051 -0.958 0.142 1.00 0.00 C ATOM 2460 O SER B 64 -0.239 -1.825 -0.181 1.00 0.00 O ATOM 2461 CB SER B 64 0.642 0.440 1.340 1.00 0.00 C ATOM 2462 OG SER B 64 1.550 -0.608 1.638 1.00 0.00 O ATOM 0 H SER B 64 -0.253 -1.054 3.114 1.00 0.00 H new ATOM 0 HA SER B 64 -1.477 0.788 1.292 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.876 0.862 0.362 1.00 0.00 H new ATOM 0 HB3 SER B 64 0.756 1.243 2.069 1.00 0.00 H new ATOM 0 HG SER B 64 1.631 -0.704 2.610 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.180 -0.739 -0.524 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.538 -1.523 -1.699 1.00 0.00 C ATOM 2470 C TYR B 65 -2.439 -0.681 -2.967 1.00 0.00 C ATOM 2471 O TYR B 65 -3.445 -0.384 -3.609 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.954 -2.083 -1.557 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.208 -3.299 -2.417 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.696 -4.541 -2.063 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.959 -3.206 -3.582 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.925 -5.656 -2.847 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.192 -4.316 -4.371 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.674 -5.538 -3.999 1.00 0.00 C ATOM 2479 OH TYR B 65 -4.903 -6.645 -4.783 1.00 0.00 O ATOM 0 H TYR B 65 -2.862 -0.025 -0.270 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.834 -2.351 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -4.131 -2.342 -0.513 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.672 -1.306 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.110 -4.637 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.367 -2.250 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.520 -6.615 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -5.777 -4.227 -5.274 1.00 0.00 H new ATOM 0 HH TYR B 65 -5.449 -6.391 -5.556 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.216 -0.300 -3.320 1.00 0.00 N ATOM 2490 CA VAL B 66 -0.981 0.507 -4.511 1.00 0.00 C ATOM 2491 C VAL B 66 -0.480 -0.354 -5.665 1.00 0.00 C ATOM 2492 O VAL B 66 -0.073 -1.500 -5.466 1.00 0.00 O ATOM 2493 CB VAL B 66 0.045 1.620 -4.238 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.398 2.482 -3.065 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.418 1.022 -3.981 1.00 0.00 C ATOM 0 H VAL B 66 -0.372 -0.537 -2.798 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.935 0.958 -4.783 1.00 0.00 H new ATOM 0 HB VAL B 66 0.108 2.257 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.341 3.263 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -1.361 2.939 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.492 1.862 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.133 1.822 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.371 0.362 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.736 0.452 -4.854 1.00 0.00 H new ATOM 2505 N THR B 67 -0.512 0.203 -6.870 1.00 0.00 N ATOM 2506 CA THR B 67 -0.060 -0.515 -8.056 1.00 0.00 C ATOM 2507 C THR B 67 1.171 0.154 -8.664 1.00 0.00 C ATOM 2508 O THR B 67 1.053 1.102 -9.440 1.00 0.00 O ATOM 2509 CB THR B 67 -1.182 -0.584 -9.092 1.00 0.00 C ATOM 2510 OG1 THR B 67 -2.435 -0.781 -8.459 1.00 0.00 O ATOM 2511 CG2 THR B 67 -1.000 -1.696 -10.102 1.00 0.00 C ATOM 0 H THR B 67 -0.846 1.149 -7.052 1.00 0.00 H new ATOM 0 HA THR B 67 0.212 -1.527 -7.756 1.00 0.00 H new ATOM 0 HB THR B 67 -1.148 0.370 -9.618 1.00 0.00 H new ATOM 0 HG1 THR B 67 -2.912 0.074 -8.404 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.831 -1.687 -10.807 1.00 0.00 H new ATOM 0 HG22 THR B 67 -0.065 -1.548 -10.642 1.00 0.00 H new ATOM 0 HG23 THR B 67 -0.972 -2.656 -9.586 1.00 0.00 H new ATOM 2519 N HIS B 68 2.350 -0.344 -8.304 1.00 0.00 N ATOM 2520 CA HIS B 68 3.599 0.210 -8.815 1.00 0.00 C ATOM 2521 C HIS B 68 3.596 0.242 -10.340 1.00 0.00 C ATOM 2522 O HIS B 68 2.660 -0.236 -10.979 1.00 0.00 O ATOM 2523 CB HIS B 68 4.788 -0.610 -8.312 1.00 0.00 C ATOM 2524 CG HIS B 68 4.976 -1.901 -9.046 1.00 0.00 C ATOM 2525 ND1 HIS B 68 3.948 -2.558 -9.689 1.00 0.00 N ATOM 2526 CD2 HIS B 68 6.083 -2.655 -9.242 1.00 0.00 C ATOM 2527 CE1 HIS B 68 4.416 -3.658 -10.250 1.00 0.00 C ATOM 2528 NE2 HIS B 68 5.708 -3.742 -9.994 1.00 0.00 N ATOM 0 H HIS B 68 2.467 -1.128 -7.662 1.00 0.00 H new ATOM 0 HA HIS B 68 3.691 1.232 -8.449 1.00 0.00 H new ATOM 0 HB2 HIS B 68 5.696 -0.013 -8.404 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.651 -0.821 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS B 68 7.076 -2.442 -8.875 1.00 0.00 H new ATOM 0 HE1 HIS B 68 3.839 -4.369 -10.822 1.00 0.00 H new ATOM 0 HE2 HIS B 68 6.327 -4.491 -10.304 1.00 0.00 H new ATOM 2537 N GLU B 69 4.650 0.809 -10.917 1.00 0.00 N ATOM 2538 CA GLU B 69 4.767 0.902 -12.367 1.00 0.00 C ATOM 2539 C GLU B 69 6.172 1.336 -12.775 1.00 0.00 C ATOM 2540 O GLU B 69 6.406 2.506 -13.079 1.00 0.00 O ATOM 2541 CB GLU B 69 3.735 1.887 -12.923 1.00 0.00 C ATOM 2542 CG GLU B 69 3.110 2.777 -11.862 1.00 0.00 C ATOM 2543 CD GLU B 69 1.720 3.248 -12.244 1.00 0.00 C ATOM 2544 OE1 GLU B 69 1.609 4.097 -13.153 1.00 0.00 O ATOM 2545 OE2 GLU B 69 0.742 2.766 -11.634 1.00 0.00 O ATOM 0 H GLU B 69 5.434 1.211 -10.403 1.00 0.00 H new ATOM 0 HA GLU B 69 4.577 -0.087 -12.784 1.00 0.00 H new ATOM 0 HB2 GLU B 69 4.213 2.514 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU B 69 2.946 1.328 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU B 69 3.059 2.232 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU B 69 3.751 3.643 -11.695 1.00 0.00 H new ATOM 2552 N THR B 70 7.102 0.386 -12.778 1.00 0.00 N ATOM 2553 CA THR B 70 8.485 0.669 -13.148 1.00 0.00 C ATOM 2554 C THR B 70 9.411 -0.454 -12.692 1.00 0.00 C ATOM 2555 O THR B 70 9.546 -1.475 -13.366 1.00 0.00 O ATOM 2556 CB THR B 70 8.935 1.998 -12.538 1.00 0.00 C ATOM 2557 OG1 THR B 70 10.349 2.080 -12.500 1.00 0.00 O ATOM 2558 CG2 THR B 70 8.426 2.213 -11.130 1.00 0.00 C ATOM 0 H THR B 70 6.923 -0.587 -12.528 1.00 0.00 H new ATOM 0 HA THR B 70 8.538 0.739 -14.234 1.00 0.00 H new ATOM 0 HB THR B 70 8.512 2.769 -13.182 1.00 0.00 H new ATOM 0 HG1 THR B 70 10.617 2.937 -12.108 1.00 0.00 H new ATOM 0 HG21 THR B 70 8.782 3.174 -10.757 1.00 0.00 H new ATOM 0 HG22 THR B 70 7.336 2.205 -11.132 1.00 0.00 H new ATOM 0 HG23 THR B 70 8.793 1.415 -10.485 1.00 0.00 H new ATOM 2566 N LYS B 71 10.046 -0.256 -11.542 1.00 0.00 N ATOM 2567 CA LYS B 71 10.960 -1.248 -10.989 1.00 0.00 C ATOM 2568 C LYS B 71 11.462 -0.808 -9.619 1.00 0.00 C ATOM 2569 O LYS B 71 12.461 -1.322 -9.116 1.00 0.00 O ATOM 2570 CB LYS B 71 12.146 -1.464 -11.930 1.00 0.00 C ATOM 2571 CG LYS B 71 12.034 -2.725 -12.773 1.00 0.00 C ATOM 2572 CD LYS B 71 12.114 -3.977 -11.915 1.00 0.00 C ATOM 2573 CE LYS B 71 10.743 -4.602 -11.717 1.00 0.00 C ATOM 2574 NZ LYS B 71 10.258 -5.274 -12.954 1.00 0.00 N ATOM 0 H LYS B 71 9.944 0.585 -10.974 1.00 0.00 H new ATOM 0 HA LYS B 71 10.418 -2.187 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS B 71 12.236 -0.602 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS B 71 13.062 -1.511 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS B 71 11.091 -2.716 -13.319 1.00 0.00 H new ATOM 0 HG3 LYS B 71 12.832 -2.740 -13.515 1.00 0.00 H new ATOM 0 HD2 LYS B 71 12.781 -4.700 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS B 71 12.546 -3.729 -10.945 1.00 0.00 H new ATOM 0 HE2 LYS B 71 10.788 -5.326 -10.904 1.00 0.00 H new ATOM 0 HE3 LYS B 71 10.032 -3.832 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 9.416 -5.843 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 10.014 -4.556 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 11.005 -5.893 -13.329 1.00 0.00 H new ATOM 2588 N HIS B 72 10.763 0.153 -9.022 1.00 0.00 N ATOM 2589 CA HIS B 72 11.141 0.668 -7.713 1.00 0.00 C ATOM 2590 C HIS B 72 9.968 0.617 -6.741 1.00 0.00 C ATOM 2591 O HIS B 72 9.430 1.652 -6.347 1.00 0.00 O ATOM 2592 CB HIS B 72 11.651 2.104 -7.837 1.00 0.00 C ATOM 2593 CG HIS B 72 12.790 2.252 -8.796 1.00 0.00 C ATOM 2594 ND1 HIS B 72 14.067 1.807 -8.526 1.00 0.00 N ATOM 2595 CD2 HIS B 72 12.839 2.801 -10.034 1.00 0.00 C ATOM 2596 CE1 HIS B 72 14.851 2.076 -9.554 1.00 0.00 C ATOM 2597 NE2 HIS B 72 14.130 2.677 -10.481 1.00 0.00 N ATOM 0 H HIS B 72 9.933 0.589 -9.424 1.00 0.00 H new ATOM 0 HA HIS B 72 11.938 0.036 -7.321 1.00 0.00 H new ATOM 0 HB2 HIS B 72 10.831 2.746 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS B 72 11.966 2.456 -6.854 1.00 0.00 H new ATOM 0 HD1 HIS B 72 14.360 1.343 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS B 72 12.016 3.252 -10.569 1.00 0.00 H new ATOM 0 HE1 HIS B 72 15.903 1.844 -9.624 1.00 0.00 H new ATOM 2606 N PHE B 73 9.580 -0.593 -6.350 1.00 0.00 N ATOM 2607 CA PHE B 73 8.476 -0.775 -5.415 1.00 0.00 C ATOM 2608 C PHE B 73 8.895 -1.683 -4.264 1.00 0.00 C ATOM 2609 O PHE B 73 8.514 -2.852 -4.211 1.00 0.00 O ATOM 2610 CB PHE B 73 7.255 -1.357 -6.132 1.00 0.00 C ATOM 2611 CG PHE B 73 6.241 -1.962 -5.203 1.00 0.00 C ATOM 2612 CD1 PHE B 73 5.660 -1.201 -4.201 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.866 -3.290 -5.333 1.00 0.00 C ATOM 2614 CE1 PHE B 73 4.726 -1.752 -3.346 1.00 0.00 C ATOM 2615 CE2 PHE B 73 4.931 -3.847 -4.479 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.361 -3.076 -3.484 1.00 0.00 C ATOM 0 H PHE B 73 10.013 -1.461 -6.666 1.00 0.00 H new ATOM 0 HA PHE B 73 8.207 0.200 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE B 73 6.777 -0.569 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.588 -2.118 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.941 -0.164 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.309 -3.896 -6.109 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.281 -1.147 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.647 -4.883 -4.590 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.631 -3.509 -2.816 1.00 0.00 H new ATOM 2626 N ILE B 74 9.685 -1.137 -3.347 1.00 0.00 N ATOM 2627 CA ILE B 74 10.159 -1.900 -2.200 1.00 0.00 C ATOM 2628 C ILE B 74 9.215 -1.761 -1.012 1.00 0.00 C ATOM 2629 O ILE B 74 8.854 -0.653 -0.620 1.00 0.00 O ATOM 2630 CB ILE B 74 11.569 -1.455 -1.767 1.00 0.00 C ATOM 2631 CG1 ILE B 74 12.198 -2.537 -0.871 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.499 -0.103 -1.061 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.328 -2.054 0.021 1.00 0.00 C ATOM 0 H ILE B 74 10.010 -0.171 -3.376 1.00 0.00 H new ATOM 0 HA ILE B 74 10.193 -2.943 -2.515 1.00 0.00 H new ATOM 0 HB ILE B 74 12.204 -1.333 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.417 -2.966 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.574 -3.340 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.501 0.202 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE B 74 11.082 0.641 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.864 -0.186 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.706 -2.887 0.613 1.00 0.00 H new ATOM 0 HD12 ILE B 74 14.132 -1.653 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.958 -1.274 0.687 1.00 0.00 H new ATOM 2645 N TYR B 75 8.825 -2.891 -0.439 1.00 0.00 N ATOM 2646 CA TYR B 75 7.929 -2.895 0.710 1.00 0.00 C ATOM 2647 C TYR B 75 8.513 -3.736 1.839 1.00 0.00 C ATOM 2648 O TYR B 75 8.235 -4.931 1.945 1.00 0.00 O ATOM 2649 CB TYR B 75 6.555 -3.433 0.309 1.00 0.00 C ATOM 2650 CG TYR B 75 5.477 -3.156 1.330 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.216 -1.862 1.761 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.718 -4.191 1.863 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.231 -1.606 2.695 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.731 -3.943 2.798 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.491 -2.649 3.209 1.00 0.00 C ATOM 2656 OH TYR B 75 2.508 -2.396 4.139 1.00 0.00 O ATOM 0 H TYR B 75 9.115 -3.818 -0.751 1.00 0.00 H new ATOM 0 HA TYR B 75 7.816 -1.870 1.063 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.264 -2.990 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.627 -4.509 0.151 1.00 0.00 H new ATOM 0 HD1 TYR B 75 5.793 -1.042 1.359 1.00 0.00 H new ATOM 0 HD2 TYR B 75 4.902 -5.205 1.541 1.00 0.00 H new ATOM 0 HE1 TYR B 75 4.042 -0.594 3.021 1.00 0.00 H new ATOM 0 HE2 TYR B 75 3.151 -4.758 3.204 1.00 0.00 H new ATOM 0 HH TYR B 75 2.447 -1.431 4.296 1.00 0.00 H new ATOM 2666 N PHE B 76 9.331 -3.106 2.676 1.00 0.00 N ATOM 2667 CA PHE B 76 9.960 -3.803 3.791 1.00 0.00 C ATOM 2668 C PHE B 76 9.378 -3.350 5.124 1.00 0.00 C ATOM 2669 O PHE B 76 8.712 -2.317 5.206 1.00 0.00 O ATOM 2670 CB PHE B 76 11.472 -3.567 3.777 1.00 0.00 C ATOM 2671 CG PHE B 76 11.852 -2.116 3.698 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.642 -1.396 2.533 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.417 -1.474 4.787 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.989 -0.061 2.457 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.767 -0.140 4.717 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.552 0.569 3.550 1.00 0.00 C ATOM 0 H PHE B 76 9.573 -2.118 2.604 1.00 0.00 H new ATOM 0 HA PHE B 76 9.760 -4.868 3.675 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.907 -4.000 4.678 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.906 -4.095 2.928 1.00 0.00 H new ATOM 0 HD1 PHE B 76 11.202 -1.884 1.675 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.586 -2.023 5.702 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.820 0.490 1.544 1.00 0.00 H new ATOM 0 HE2 PHE B 76 13.208 0.349 5.573 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.823 1.613 3.493 1.00 0.00 H new ATOM 2686 N TYR B 77 9.635 -4.133 6.165 1.00 0.00 N ATOM 2687 CA TYR B 77 9.141 -3.819 7.500 1.00 0.00 C ATOM 2688 C TYR B 77 10.294 -3.731 8.495 1.00 0.00 C ATOM 2689 O TYR B 77 10.968 -4.722 8.770 1.00 0.00 O ATOM 2690 CB TYR B 77 8.135 -4.878 7.954 1.00 0.00 C ATOM 2691 CG TYR B 77 7.561 -4.622 9.328 1.00 0.00 C ATOM 2692 CD1 TYR B 77 8.214 -5.072 10.469 1.00 0.00 C ATOM 2693 CD2 TYR B 77 6.367 -3.930 9.485 1.00 0.00 C ATOM 2694 CE1 TYR B 77 7.693 -4.841 11.727 1.00 0.00 C ATOM 2695 CE2 TYR B 77 5.838 -3.695 10.741 1.00 0.00 C ATOM 2696 CZ TYR B 77 6.505 -4.153 11.858 1.00 0.00 C ATOM 2697 OH TYR B 77 5.983 -3.920 13.109 1.00 0.00 O ATOM 0 H TYR B 77 10.183 -4.991 6.110 1.00 0.00 H new ATOM 0 HA TYR B 77 8.643 -2.850 7.462 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.319 -4.925 7.232 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.621 -5.854 7.949 1.00 0.00 H new ATOM 0 HD1 TYR B 77 9.144 -5.611 10.370 1.00 0.00 H new ATOM 0 HD2 TYR B 77 5.843 -3.570 8.612 1.00 0.00 H new ATOM 0 HE1 TYR B 77 8.213 -5.197 12.604 1.00 0.00 H new ATOM 0 HE2 TYR B 77 4.908 -3.156 10.847 1.00 0.00 H new ATOM 0 HH TYR B 77 5.143 -3.422 13.025 1.00 0.00 H new ATOM 2707 N LEU B 78 10.512 -2.534 9.031 1.00 0.00 N ATOM 2708 CA LEU B 78 11.585 -2.309 9.993 1.00 0.00 C ATOM 2709 C LEU B 78 11.279 -3.001 11.319 1.00 0.00 C ATOM 2710 O LEU B 78 10.150 -3.425 11.563 1.00 0.00 O ATOM 2711 CB LEU B 78 11.777 -0.804 10.222 1.00 0.00 C ATOM 2712 CG LEU B 78 12.486 -0.027 9.099 1.00 0.00 C ATOM 2713 CD1 LEU B 78 13.982 0.033 9.355 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.206 -0.632 7.727 1.00 0.00 C ATOM 0 H LEU B 78 9.959 -1.704 8.815 1.00 0.00 H new ATOM 0 HA LEU B 78 12.504 -2.732 9.587 1.00 0.00 H new ATOM 0 HB2 LEU B 78 10.797 -0.355 10.382 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.344 -0.668 11.143 1.00 0.00 H new ATOM 0 HG LEU B 78 12.086 0.987 9.100 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.467 0.586 8.551 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.169 0.535 10.304 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.385 -0.979 9.394 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.725 -0.054 6.962 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.559 -1.663 7.705 1.00 0.00 H new ATOM 0 HD23 LEU B 78 11.134 -0.612 7.532 1.00 0.00 H new ATOM 2726 N GLY B 79 12.294 -3.112 12.171 1.00 0.00 N ATOM 2727 CA GLY B 79 12.116 -3.755 13.461 1.00 0.00 C ATOM 2728 C GLY B 79 10.713 -3.583 14.011 1.00 0.00 C ATOM 2729 O GLY B 79 10.167 -4.494 14.634 1.00 0.00 O ATOM 0 H GLY B 79 13.237 -2.768 11.991 1.00 0.00 H new ATOM 0 HA2 GLY B 79 12.337 -4.818 13.366 1.00 0.00 H new ATOM 0 HA3 GLY B 79 12.833 -3.342 14.170 1.00 0.00 H new ATOM 2733 N GLN B 80 10.129 -2.412 13.782 1.00 0.00 N ATOM 2734 CA GLN B 80 8.781 -2.122 14.260 1.00 0.00 C ATOM 2735 C GLN B 80 8.088 -1.116 13.347 1.00 0.00 C ATOM 2736 O GLN B 80 7.255 -0.328 13.792 1.00 0.00 O ATOM 2737 CB GLN B 80 8.829 -1.585 15.691 1.00 0.00 C ATOM 2738 CG GLN B 80 7.612 -1.961 16.522 1.00 0.00 C ATOM 2739 CD GLN B 80 6.867 -0.748 17.047 1.00 0.00 C ATOM 2740 OE1 GLN B 80 6.298 0.027 16.278 1.00 0.00 O ATOM 2741 NE2 GLN B 80 6.867 -0.579 18.364 1.00 0.00 N ATOM 0 H GLN B 80 10.568 -1.648 13.268 1.00 0.00 H new ATOM 0 HA GLN B 80 8.209 -3.050 14.249 1.00 0.00 H new ATOM 0 HB2 GLN B 80 9.725 -1.963 16.182 1.00 0.00 H new ATOM 0 HB3 GLN B 80 8.916 -0.499 15.660 1.00 0.00 H new ATOM 0 HG2 GLN B 80 6.936 -2.564 15.917 1.00 0.00 H new ATOM 0 HG3 GLN B 80 7.927 -2.581 17.361 1.00 0.00 H new ATOM 0 HE21 GLN B 80 7.352 -1.246 18.964 1.00 0.00 H new ATOM 0 HE22 GLN B 80 6.382 0.218 18.776 1.00 0.00 H new ATOM 2750 N VAL B 81 8.442 -1.151 12.066 1.00 0.00 N ATOM 2751 CA VAL B 81 7.860 -0.244 11.084 1.00 0.00 C ATOM 2752 C VAL B 81 7.726 -0.926 9.724 1.00 0.00 C ATOM 2753 O VAL B 81 8.269 -2.010 9.507 1.00 0.00 O ATOM 2754 CB VAL B 81 8.712 1.037 10.942 1.00 0.00 C ATOM 2755 CG1 VAL B 81 8.300 1.841 9.716 1.00 0.00 C ATOM 2756 CG2 VAL B 81 8.602 1.885 12.199 1.00 0.00 C ATOM 0 H VAL B 81 9.130 -1.799 11.684 1.00 0.00 H new ATOM 0 HA VAL B 81 6.867 0.032 11.439 1.00 0.00 H new ATOM 0 HB VAL B 81 9.752 0.739 10.810 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.918 2.736 9.644 1.00 0.00 H new ATOM 0 HG12 VAL B 81 8.434 1.234 8.821 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.253 2.129 9.805 1.00 0.00 H new ATOM 0 HG21 VAL B 81 9.207 2.784 12.085 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.561 2.166 12.358 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.959 1.314 13.056 1.00 0.00 H new ATOM 2766 N ALA B 82 7.003 -0.284 8.812 1.00 0.00 N ATOM 2767 CA ALA B 82 6.799 -0.821 7.474 1.00 0.00 C ATOM 2768 C ALA B 82 6.938 0.282 6.435 1.00 0.00 C ATOM 2769 O ALA B 82 6.091 1.171 6.344 1.00 0.00 O ATOM 2770 CB ALA B 82 5.433 -1.484 7.371 1.00 0.00 C ATOM 0 H ALA B 82 6.547 0.613 8.978 1.00 0.00 H new ATOM 0 HA ALA B 82 7.562 -1.575 7.281 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.296 -1.880 6.365 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.368 -2.298 8.093 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.655 -0.750 7.581 1.00 0.00 H new ATOM 2776 N ILE B 83 8.019 0.235 5.667 1.00 0.00 N ATOM 2777 CA ILE B 83 8.271 1.248 4.653 1.00 0.00 C ATOM 2778 C ILE B 83 7.911 0.761 3.256 1.00 0.00 C ATOM 2779 O ILE B 83 8.271 -0.345 2.853 1.00 0.00 O ATOM 2780 CB ILE B 83 9.744 1.695 4.662 1.00 0.00 C ATOM 2781 CG1 ILE B 83 10.362 1.466 6.043 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.850 3.158 4.263 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.795 2.367 7.118 1.00 0.00 C ATOM 0 H ILE B 83 8.732 -0.491 5.727 1.00 0.00 H new ATOM 0 HA ILE B 83 7.632 2.095 4.904 1.00 0.00 H new ATOM 0 HB ILE B 83 10.297 1.098 3.937 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.207 0.427 6.333 1.00 0.00 H new ATOM 0 HG13 ILE B 83 11.439 1.623 5.980 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.896 3.463 4.273 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.442 3.292 3.261 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.287 3.769 4.969 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.280 2.148 8.069 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.973 3.409 6.851 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.723 2.194 7.209 1.00 0.00 H new ATOM 2795 N LEU B 84 7.205 1.612 2.518 1.00 0.00 N ATOM 2796 CA LEU B 84 6.795 1.301 1.155 1.00 0.00 C ATOM 2797 C LEU B 84 7.393 2.318 0.189 1.00 0.00 C ATOM 2798 O LEU B 84 7.324 3.524 0.426 1.00 0.00 O ATOM 2799 CB LEU B 84 5.265 1.295 1.050 1.00 0.00 C ATOM 2800 CG LEU B 84 4.695 1.736 -0.301 1.00 0.00 C ATOM 2801 CD1 LEU B 84 4.232 0.532 -1.106 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.548 2.717 -0.101 1.00 0.00 C ATOM 0 H LEU B 84 6.903 2.530 2.846 1.00 0.00 H new ATOM 0 HA LEU B 84 7.162 0.309 0.891 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.908 0.288 1.264 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.863 1.947 1.825 1.00 0.00 H new ATOM 0 HG LEU B 84 5.485 2.238 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU B 84 3.830 0.866 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU B 84 5.076 -0.135 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU B 84 3.457 0.001 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU B 84 3.155 3.020 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU B 84 2.757 2.239 0.478 1.00 0.00 H new ATOM 0 HD23 LEU B 84 3.909 3.595 0.434 1.00 0.00 H new ATOM 2814 N LEU B 85 7.983 1.831 -0.896 1.00 0.00 N ATOM 2815 CA LEU B 85 8.595 2.711 -1.884 1.00 0.00 C ATOM 2816 C LEU B 85 8.271 2.264 -3.300 1.00 0.00 C ATOM 2817 O LEU B 85 8.873 1.330 -3.824 1.00 0.00 O ATOM 2818 CB LEU B 85 10.108 2.760 -1.691 1.00 0.00 C ATOM 2819 CG LEU B 85 10.631 4.059 -1.085 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.040 4.263 0.297 1.00 0.00 C ATOM 2821 CD2 LEU B 85 12.152 4.054 -1.030 1.00 0.00 C ATOM 0 H LEU B 85 8.051 0.837 -1.113 1.00 0.00 H new ATOM 0 HA LEU B 85 8.182 3.709 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.406 1.930 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.589 2.606 -2.657 1.00 0.00 H new ATOM 0 HG LEU B 85 10.323 4.890 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.419 5.193 0.721 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.954 4.314 0.224 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.322 3.429 0.940 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.503 4.989 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.491 3.219 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU B 85 12.552 3.950 -2.039 1.00 0.00 H new ATOM 2833 N PHE B 86 7.318 2.950 -3.916 1.00 0.00 N ATOM 2834 CA PHE B 86 6.911 2.637 -5.283 1.00 0.00 C ATOM 2835 C PHE B 86 6.662 3.913 -6.085 1.00 0.00 C ATOM 2836 O PHE B 86 5.858 4.756 -5.690 1.00 0.00 O ATOM 2837 CB PHE B 86 5.655 1.764 -5.278 1.00 0.00 C ATOM 2838 CG PHE B 86 4.382 2.538 -5.092 1.00 0.00 C ATOM 2839 CD1 PHE B 86 3.966 2.915 -3.825 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.601 2.886 -6.181 1.00 0.00 C ATOM 2841 CE1 PHE B 86 2.794 3.626 -3.649 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.428 3.596 -6.012 1.00 0.00 C ATOM 2843 CZ PHE B 86 2.024 3.967 -4.744 1.00 0.00 C ATOM 0 H PHE B 86 6.811 3.727 -3.493 1.00 0.00 H new ATOM 0 HA PHE B 86 7.722 2.086 -5.759 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.602 1.215 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.740 1.025 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.564 2.650 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.913 2.599 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.481 3.915 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.828 3.861 -6.870 1.00 0.00 H new ATOM 0 HZ PHE B 86 1.108 4.523 -4.609 1.00 0.00 H new ATOM 2853 N LYS B 87 7.358 4.047 -7.212 1.00 0.00 N ATOM 2854 CA LYS B 87 7.212 5.220 -8.066 1.00 0.00 C ATOM 2855 C LYS B 87 6.148 4.988 -9.133 1.00 0.00 C ATOM 2856 O LYS B 87 5.820 3.848 -9.461 1.00 0.00 O ATOM 2857 CB LYS B 87 8.544 5.568 -8.739 1.00 0.00 C ATOM 2858 CG LYS B 87 9.735 4.811 -8.178 1.00 0.00 C ATOM 2859 CD LYS B 87 11.021 5.610 -8.317 1.00 0.00 C ATOM 2860 CE LYS B 87 11.285 5.999 -9.763 1.00 0.00 C ATOM 2861 NZ LYS B 87 12.732 6.237 -10.019 1.00 0.00 N ATOM 0 H LYS B 87 8.028 3.358 -7.553 1.00 0.00 H new ATOM 0 HA LYS B 87 6.902 6.053 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS B 87 8.465 5.361 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS B 87 8.724 6.638 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS B 87 9.560 4.583 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.839 3.859 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS B 87 10.960 6.509 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS B 87 11.858 5.022 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.925 5.210 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS B 87 10.721 6.899 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 12.953 5.999 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 12.955 7.238 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 13.300 5.640 -9.384 1.00 0.00 H new ATOM 2875 N SER B 88 5.624 6.078 -9.679 1.00 0.00 N ATOM 2876 CA SER B 88 4.607 6.000 -10.718 1.00 0.00 C ATOM 2877 C SER B 88 5.121 6.624 -12.005 1.00 0.00 C ATOM 2878 O SER B 88 4.349 7.000 -12.886 1.00 0.00 O ATOM 2879 CB SER B 88 3.333 6.710 -10.271 1.00 0.00 C ATOM 2880 OG SER B 88 2.436 5.809 -9.645 1.00 0.00 O ATOM 0 H SER B 88 5.888 7.028 -9.418 1.00 0.00 H new ATOM 0 HA SER B 88 4.379 4.949 -10.899 1.00 0.00 H new ATOM 0 HB2 SER B 88 3.585 7.515 -9.580 1.00 0.00 H new ATOM 0 HB3 SER B 88 2.849 7.170 -11.132 1.00 0.00 H new ATOM 0 HG SER B 88 1.565 5.850 -10.093 1.00 0.00 H new ATOM 2886 N GLY B 89 6.435 6.726 -12.092 1.00 0.00 N ATOM 2887 CA GLY B 89 7.066 7.304 -13.263 1.00 0.00 C ATOM 2888 C GLY B 89 8.434 6.712 -13.538 1.00 0.00 C ATOM 2889 O GLY B 89 9.366 6.978 -12.749 1.00 0.00 O ATOM 2890 OXT GLY B 89 8.575 5.980 -14.540 1.00 0.00 O ATOM 0 H GLY B 89 7.084 6.417 -11.368 1.00 0.00 H new ATOM 0 HA2 GLY B 89 6.425 7.148 -14.131 1.00 0.00 H new ATOM 0 HA3 GLY B 89 7.161 8.381 -13.126 1.00 0.00 H new TER 2894 GLY B 89