USER MOD reduce.3.24.130724 H: found=0, std=0, add=1720, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 1724 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: D 16 SER OG : rot 82:sc= 0.96 USER MOD Set 1.2: D 17 HIS : no HD1:sc= -0.849! C(o=0.11!,f=-6.1!) USER MOD Set 2.1: B 75 TYR OH : rot -15:sc= -3.31! USER MOD Set 2.2: B 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 14 SER OG : rot 110:sc= 0 USER MOD Set 3.2: B 17 MET CE :methyl 138:sc= -1.36 (180deg=-5.47!) USER MOD Set 4.1: A 55 HIS : no HE2:sc= -3.49! C(o=-4.3!,f=-5.4!) USER MOD Set 4.2: A 88 SER OG : rot 127:sc= -0.83 USER MOD Set 5.1: A 68 HIS :FLIP no HD1:sc= -2.93 F(o=-4.5,f=-3) USER MOD Set 5.2: C 4 THR OG1 : rot -111:sc= -0.0511 USER MOD Set 6.1: A 67 THR OG1 : rot -156:sc= 1.27 USER MOD Set 6.2: B 53 THR OG1 : rot 20:sc= -1.11! USER MOD Set 6.3: B 55 HIS : no HE2:sc= -4.27! C(o=-5.2!,f=-5!) USER MOD Set 6.4: B 88 SER OG : rot 113:sc= -1.14! USER MOD Set 7.1: A 65 TYR OH : rot 180:sc= 0.0318 USER MOD Set 7.2: B 43 LYS NZ :NH3+ 141:sc= -2.38! (180deg=-4.89!) USER MOD Set 7.3: B 44 LYS NZ :NH3+ -133:sc= -0.0104 (180deg=-0.258) USER MOD Set 8.1: A 53 THR OG1 : rot -90:sc= 0.239 USER MOD Set 8.2: B 67 THR OG1 : rot 142:sc= 0.498 USER MOD Set 9.1: A 36 LYS NZ :NH3+ -130:sc= 0 (180deg=0) USER MOD Set 9.2: D 7 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Set10.1: A 24 CYS SG : rot 170:sc= -1.43 USER MOD Set10.2: A 41 HIS : no HE2:sc= -5.1! C(o=-6.5!,f=-9.1!) USER MOD Set11.1: A 13 MET CE :methyl 138:sc= -2.12 (180deg=-2.75!) USER MOD Set11.2: A 17 MET CE :methyl -111:sc= -1.12 (180deg=-2.35) USER MOD Set12.1: A 9 LYS NZ :NH3+ 168:sc= -0.0332 (180deg=-0.245) USER MOD Set12.2: A 10 ASN : amide:sc= -4.12! C(o=-4.2!,f=-3.9!) USER MOD Set13.1: A 1 MET CE :methyl -143:sc= -0.191 (180deg=-0.826) USER MOD Set13.2: A 2 CYS SG : rot 180:sc= -0.726 USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.147 (180deg=-0.267) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= -0.04 (180deg=-0.228) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.88 K(o=-1.9,f=-2.9) USER MOD Single : A 19 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.31) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 69:sc= -0.674 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.99!,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.253 F(o=-1.6!,f=0.25) USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= -1.81! (180deg=-6.32!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0485 (180deg=-0.256) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.7!) USER MOD Single : A 56 CYS SG : rot 39:sc= -2.19 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.178 F(o=-1.8,f=-0.18) USER MOD Single : A 64 SER OG : rot 81:sc= -0.132 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 75 TYR OH : rot -49:sc= -7.41! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -116:sc= -0.0504 (180deg=-2.09!) USER MOD Single : B 1 MET CE :methyl 160:sc= -0.146 (180deg=-0.804) USER MOD Single : B 1 MET N :NH3+ 152:sc= -0.922 (180deg=-2.37!) USER MOD Single : B 2 CYS SG : rot -20:sc= 0.763 USER MOD Single : B 5 LYS NZ :NH3+ 169:sc=-0.00772 (180deg=-0.195) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= 0.193 X(o=0.19,f=-0.15) USER MOD Single : B 13 MET CE :methyl -135:sc= -5.53! (180deg=-10.2!) USER MOD Single : B 18 GLN :FLIP amide:sc= -1.13 F(o=-2.3!,f=-1.1) USER MOD Single : B 19 GLN : amide:sc= -1.84 X(o=-1.8,f=-2.2!) USER MOD Single : B 21 SER OG : rot -16:sc= 0.227 USER MOD Single : B 24 CYS SG : rot 90:sc= -0.411 USER MOD Single : B 26 THR OG1 : rot 66:sc= 0.62 USER MOD Single : B 27 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN :FLIP amide:sc= 0.44 F(o=-1.5,f=0.44) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 HIS : no HD1:sc= -3.55 K(o=-3.5,f=-6.2!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -167:sc= -0.0356 (180deg=-0.241) USER MOD Single : B 50 TYR OH : rot -151:sc= 1.12 USER MOD Single : B 51 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : B 56 CYS SG : rot 47:sc= -0.479 USER MOD Single : B 61 ASN : amide:sc= -6.93! C(o=-6.9!,f=-12!) USER MOD Single : B 64 SER OG : rot 112:sc= 0.932 USER MOD Single : B 65 TYR OH : rot -145:sc= 1.09 USER MOD Single : B 68 HIS : no HE2:sc= -5.71! C(o=-5.7!,f=-7!) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 166:sc= -0.041 (180deg=-0.278) USER MOD Single : B 72 HIS : no HD1:sc= -6.37 K(o=-6.4,f=-8!) USER MOD Single : B 80 GLN : amide:sc= -2.3! C(o=-2.3!,f=-5.7!) USER MOD Single : B 87 LYS NZ :NH3+ -109:sc= -1.98 (180deg=-3.99!) USER MOD Single : C 1 MET CE :methyl -164:sc= -0.102 (180deg=-0.631) USER MOD Single : C 1 MET N :NH3+ -166:sc= -0.0274 (180deg=-0.315) USER MOD Single : C 2 LYS NZ :NH3+ -130:sc= -0.889 (180deg=-3.67!) USER MOD Single : C 7 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : C 15 LYS NZ :NH3+ -171:sc= 0.415 (180deg=0.343) USER MOD Single : C 16 SER OG : rot 180:sc= 0 USER MOD Single : C 17 HIS :FLIP no HD1:sc= -0.539 F(o=-1.9,f=-0.54) USER MOD Single : C 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 1 MET CE :methyl 159:sc= -0.151 (180deg=-0.825) USER MOD Single : D 1 MET N :NH3+ -138:sc= -3.65! (180deg=-6.49!) USER MOD Single : D 2 LYS NZ :NH3+ 170:sc= -0.0178 (180deg=-0.141) USER MOD Single : D 4 THR OG1 : rot 89:sc= 0.655! USER MOD Single : D 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 18 LYS NZ :NH3+ 167:sc= -0.0383 (180deg=-0.256) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.736 -6.845 -11.214 1.00 0.00 N ATOM 2 CA MET A 1 -24.970 -8.100 -11.435 1.00 0.00 C ATOM 3 C MET A 1 -23.548 -7.985 -10.891 1.00 0.00 C ATOM 4 O MET A 1 -23.048 -8.901 -10.238 1.00 0.00 O ATOM 5 CB MET A 1 -24.941 -8.402 -12.935 1.00 0.00 C ATOM 6 CG MET A 1 -24.269 -7.321 -13.767 1.00 0.00 C ATOM 7 SD MET A 1 -24.239 -7.717 -15.526 1.00 0.00 S ATOM 8 CE MET A 1 -23.300 -9.243 -15.512 1.00 0.00 C ATOM 0 H1 MET A 1 -26.655 -6.910 -11.697 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.889 -6.707 -10.195 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.200 -6.040 -11.596 1.00 0.00 H new ATOM 0 HA MET A 1 -25.460 -8.913 -10.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.421 -9.347 -13.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.963 -8.536 -13.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.793 -6.376 -13.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.248 -7.178 -13.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.654 -9.281 -16.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.690 -9.287 -14.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.984 -10.091 -15.529 1.00 0.00 H new ATOM 20 N CYS A 2 -22.899 -6.856 -11.163 1.00 0.00 N ATOM 21 CA CYS A 2 -21.536 -6.627 -10.700 1.00 0.00 C ATOM 22 C CYS A 2 -21.046 -5.240 -11.108 1.00 0.00 C ATOM 23 O CYS A 2 -20.402 -4.545 -10.324 1.00 0.00 O ATOM 24 CB CYS A 2 -20.597 -7.697 -11.260 1.00 0.00 C ATOM 25 SG CYS A 2 -20.536 -7.754 -13.067 1.00 0.00 S ATOM 0 H CYS A 2 -23.296 -6.086 -11.702 1.00 0.00 H new ATOM 0 HA CYS A 2 -21.536 -6.687 -9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -19.592 -7.518 -10.879 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -20.911 -8.672 -10.887 1.00 0.00 H new ATOM 0 HG CYS A 2 -19.714 -8.688 -13.444 1.00 0.00 H new ATOM 31 N ASP A 3 -21.357 -4.848 -12.340 1.00 0.00 N ATOM 32 CA ASP A 3 -20.948 -3.544 -12.856 1.00 0.00 C ATOM 33 C ASP A 3 -19.428 -3.438 -12.925 1.00 0.00 C ATOM 34 O ASP A 3 -18.731 -3.755 -11.962 1.00 0.00 O ATOM 35 CB ASP A 3 -21.512 -2.423 -11.980 1.00 0.00 C ATOM 36 CG ASP A 3 -23.027 -2.422 -11.942 1.00 0.00 C ATOM 37 OD1 ASP A 3 -23.646 -2.273 -13.017 1.00 0.00 O ATOM 38 OD2 ASP A 3 -23.595 -2.570 -10.840 1.00 0.00 O ATOM 0 H ASP A 3 -21.891 -5.414 -13.000 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.347 -3.440 -13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.127 -2.530 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.161 -1.462 -12.355 1.00 0.00 H new ATOM 43 N ARG A 4 -18.922 -2.987 -14.070 1.00 0.00 N ATOM 44 CA ARG A 4 -17.483 -2.838 -14.266 1.00 0.00 C ATOM 45 C ARG A 4 -16.770 -4.181 -14.153 1.00 0.00 C ATOM 46 O ARG A 4 -17.042 -4.968 -13.247 1.00 0.00 O ATOM 47 CB ARG A 4 -16.906 -1.848 -13.254 1.00 0.00 C ATOM 48 CG ARG A 4 -17.267 -0.397 -13.537 1.00 0.00 C ATOM 49 CD ARG A 4 -18.771 -0.191 -13.617 1.00 0.00 C ATOM 50 NE ARG A 4 -19.118 1.217 -13.795 1.00 0.00 N ATOM 51 CZ ARG A 4 -20.365 1.660 -13.947 1.00 0.00 C ATOM 52 NH1 ARG A 4 -21.383 0.809 -13.960 1.00 0.00 N ATOM 53 NH2 ARG A 4 -20.592 2.959 -14.091 1.00 0.00 N ATOM 0 H ARG A 4 -19.487 -2.719 -14.876 1.00 0.00 H new ATOM 0 HA ARG A 4 -17.320 -2.451 -15.272 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -17.261 -2.113 -12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -15.821 -1.947 -13.242 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.855 0.239 -12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -16.808 -0.085 -14.475 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -19.174 -0.772 -14.447 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -19.238 -0.568 -12.707 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.361 1.901 -13.803 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -21.213 -0.191 -13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -22.335 1.155 -14.077 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -19.812 3.617 -14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -21.546 3.300 -14.208 1.00 0.00 H new ATOM 67 N LYS A 5 -15.855 -4.434 -15.083 1.00 0.00 N ATOM 68 CA LYS A 5 -15.096 -5.679 -15.098 1.00 0.00 C ATOM 69 C LYS A 5 -14.235 -5.813 -13.833 1.00 0.00 C ATOM 70 O LYS A 5 -14.754 -5.750 -12.719 1.00 0.00 O ATOM 71 CB LYS A 5 -14.242 -5.754 -16.360 1.00 0.00 C ATOM 72 CG LYS A 5 -15.060 -5.686 -17.636 1.00 0.00 C ATOM 73 CD LYS A 5 -14.249 -6.152 -18.825 1.00 0.00 C ATOM 74 CE LYS A 5 -15.049 -6.068 -20.115 1.00 0.00 C ATOM 75 NZ LYS A 5 -16.278 -6.908 -20.062 1.00 0.00 N ATOM 0 H LYS A 5 -15.621 -3.790 -15.839 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.795 -6.515 -15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.521 -4.936 -16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.671 -6.682 -16.351 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.951 -6.305 -17.534 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.399 -4.663 -17.801 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.349 -5.543 -18.914 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.924 -7.180 -18.664 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.326 -5.031 -20.303 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.426 -6.388 -20.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.676 -7.001 -21.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.039 -7.850 -19.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.978 -6.459 -19.438 1.00 0.00 H new ATOM 89 N ALA A 6 -12.924 -6.002 -14.004 1.00 0.00 N ATOM 90 CA ALA A 6 -12.014 -6.147 -12.871 1.00 0.00 C ATOM 91 C ALA A 6 -12.235 -7.473 -12.152 1.00 0.00 C ATOM 92 O ALA A 6 -13.342 -7.771 -11.704 1.00 0.00 O ATOM 93 CB ALA A 6 -12.188 -4.988 -11.899 1.00 0.00 C ATOM 0 H ALA A 6 -12.472 -6.058 -14.917 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.995 -6.136 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.503 -5.111 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.972 -4.049 -12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.214 -4.973 -11.531 1.00 0.00 H new ATOM 99 N VAL A 7 -11.173 -8.265 -12.041 1.00 0.00 N ATOM 100 CA VAL A 7 -11.248 -9.552 -11.378 1.00 0.00 C ATOM 101 C VAL A 7 -11.009 -9.421 -9.881 1.00 0.00 C ATOM 102 O VAL A 7 -10.125 -8.684 -9.445 1.00 0.00 O ATOM 103 CB VAL A 7 -10.220 -10.535 -11.951 1.00 0.00 C ATOM 104 CG1 VAL A 7 -10.525 -10.849 -13.407 1.00 0.00 C ATOM 105 CG2 VAL A 7 -8.810 -9.985 -11.802 1.00 0.00 C ATOM 0 H VAL A 7 -10.249 -8.032 -12.405 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.254 -9.933 -11.553 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.285 -11.464 -11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.782 -11.548 -13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.517 -11.295 -13.483 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.495 -9.930 -13.992 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.096 -10.698 -12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.730 -9.039 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.592 -9.823 -10.746 1.00 0.00 H new ATOM 115 N ILE A 8 -11.788 -10.156 -9.099 1.00 0.00 N ATOM 116 CA ILE A 8 -11.646 -10.135 -7.650 1.00 0.00 C ATOM 117 C ILE A 8 -10.551 -11.102 -7.214 1.00 0.00 C ATOM 118 O ILE A 8 -10.653 -12.309 -7.433 1.00 0.00 O ATOM 119 CB ILE A 8 -12.970 -10.497 -6.939 1.00 0.00 C ATOM 120 CG1 ILE A 8 -14.050 -9.457 -7.247 1.00 0.00 C ATOM 121 CG2 ILE A 8 -12.759 -10.608 -5.435 1.00 0.00 C ATOM 122 CD1 ILE A 8 -14.432 -9.384 -8.710 1.00 0.00 C ATOM 0 H ILE A 8 -12.524 -10.773 -9.443 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.375 -9.119 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.303 -11.464 -7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.940 -9.687 -6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.699 -8.477 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.703 -10.863 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.023 -11.385 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.400 -9.655 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.202 -8.625 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.555 -9.123 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.814 -10.352 -9.035 1.00 0.00 H new ATOM 134 N LYS A 9 -9.503 -10.567 -6.598 1.00 0.00 N ATOM 135 CA LYS A 9 -8.393 -11.391 -6.138 1.00 0.00 C ATOM 136 C LYS A 9 -8.774 -12.142 -4.867 1.00 0.00 C ATOM 137 O LYS A 9 -8.530 -13.342 -4.748 1.00 0.00 O ATOM 138 CB LYS A 9 -7.154 -10.531 -5.892 1.00 0.00 C ATOM 139 CG LYS A 9 -5.902 -11.342 -5.606 1.00 0.00 C ATOM 140 CD LYS A 9 -5.572 -12.273 -6.762 1.00 0.00 C ATOM 141 CE LYS A 9 -4.305 -13.069 -6.493 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.420 -13.907 -5.267 1.00 0.00 N ATOM 0 H LYS A 9 -9.399 -9.571 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.163 -12.119 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.979 -9.902 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.345 -9.864 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.063 -10.669 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.043 -11.925 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.404 -12.957 -6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.450 -11.691 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.090 -13.708 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.463 -12.385 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.627 -14.579 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.395 -13.296 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.318 -14.431 -5.288 1.00 0.00 H new ATOM 156 N ASN A 10 -9.383 -11.426 -3.925 1.00 0.00 N ATOM 157 CA ASN A 10 -9.807 -12.019 -2.663 1.00 0.00 C ATOM 158 C ASN A 10 -10.883 -11.164 -1.999 1.00 0.00 C ATOM 159 O ASN A 10 -10.597 -10.088 -1.473 1.00 0.00 O ATOM 160 CB ASN A 10 -8.616 -12.172 -1.714 1.00 0.00 C ATOM 161 CG ASN A 10 -7.533 -13.072 -2.274 1.00 0.00 C ATOM 162 OD1 ASN A 10 -7.769 -14.248 -2.551 1.00 0.00 O ATOM 163 ND2 ASN A 10 -6.335 -12.524 -2.442 1.00 0.00 N ATOM 0 H ASN A 10 -9.594 -10.432 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.221 -13.004 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.194 -11.189 -1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.964 -12.577 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.566 -13.082 -2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.183 -11.545 -2.199 1.00 0.00 H new ATOM 170 N ALA A 11 -12.117 -11.653 -2.023 1.00 0.00 N ATOM 171 CA ALA A 11 -13.238 -10.942 -1.420 1.00 0.00 C ATOM 172 C ALA A 11 -13.315 -11.223 0.077 1.00 0.00 C ATOM 173 O ALA A 11 -12.953 -12.310 0.530 1.00 0.00 O ATOM 174 CB ALA A 11 -14.541 -11.328 -2.103 1.00 0.00 C ATOM 0 H ALA A 11 -12.367 -12.542 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.078 -9.873 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.368 -10.788 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.487 -11.072 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.703 -12.401 -1.997 1.00 0.00 H new ATOM 180 N ASP A 12 -13.785 -10.244 0.843 1.00 0.00 N ATOM 181 CA ASP A 12 -13.897 -10.405 2.289 1.00 0.00 C ATOM 182 C ASP A 12 -14.769 -9.308 2.898 1.00 0.00 C ATOM 183 O ASP A 12 -14.326 -8.550 3.761 1.00 0.00 O ATOM 184 CB ASP A 12 -12.506 -10.397 2.926 1.00 0.00 C ATOM 185 CG ASP A 12 -12.528 -10.777 4.395 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.178 -10.064 5.187 1.00 0.00 O ATOM 187 OD2 ASP A 12 -11.896 -11.793 4.753 1.00 0.00 O ATOM 0 H ASP A 12 -14.092 -9.337 0.491 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.375 -11.364 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.861 -11.090 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.068 -9.404 2.819 1.00 0.00 H new ATOM 192 N MET A 13 -16.017 -9.234 2.441 1.00 0.00 N ATOM 193 CA MET A 13 -16.965 -8.241 2.938 1.00 0.00 C ATOM 194 C MET A 13 -18.309 -8.381 2.226 1.00 0.00 C ATOM 195 O MET A 13 -18.584 -9.403 1.600 1.00 0.00 O ATOM 196 CB MET A 13 -16.412 -6.822 2.747 1.00 0.00 C ATOM 197 CG MET A 13 -16.147 -6.460 1.294 1.00 0.00 C ATOM 198 SD MET A 13 -15.868 -4.694 1.055 1.00 0.00 S ATOM 199 CE MET A 13 -14.503 -4.395 2.176 1.00 0.00 C ATOM 0 H MET A 13 -16.396 -9.853 1.724 1.00 0.00 H new ATOM 0 HA MET A 13 -17.113 -8.416 4.004 1.00 0.00 H new ATOM 0 HB2 MET A 13 -17.119 -6.106 3.167 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.485 -6.724 3.312 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.277 -7.012 0.939 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.994 -6.775 0.685 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.778 -3.736 1.699 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.876 -3.925 3.086 1.00 0.00 H new ATOM 0 HE3 MET A 13 -14.024 -5.341 2.426 1.00 0.00 H new ATOM 209 N SER A 14 -19.143 -7.348 2.319 1.00 0.00 N ATOM 210 CA SER A 14 -20.453 -7.361 1.678 1.00 0.00 C ATOM 211 C SER A 14 -20.315 -7.321 0.160 1.00 0.00 C ATOM 212 O SER A 14 -19.498 -6.575 -0.378 1.00 0.00 O ATOM 213 CB SER A 14 -21.292 -6.178 2.159 1.00 0.00 C ATOM 214 OG SER A 14 -21.499 -6.234 3.560 1.00 0.00 O ATOM 0 H SER A 14 -18.934 -6.492 2.832 1.00 0.00 H new ATOM 0 HA SER A 14 -20.956 -8.288 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 14 -20.792 -5.245 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 14 -22.254 -6.178 1.646 1.00 0.00 H new ATOM 0 HG SER A 14 -22.037 -5.465 3.842 1.00 0.00 H new ATOM 220 N GLU A 15 -21.116 -8.131 -0.525 1.00 0.00 N ATOM 221 CA GLU A 15 -21.081 -8.189 -1.983 1.00 0.00 C ATOM 222 C GLU A 15 -21.330 -6.815 -2.596 1.00 0.00 C ATOM 223 O GLU A 15 -20.649 -6.412 -3.539 1.00 0.00 O ATOM 224 CB GLU A 15 -22.120 -9.187 -2.499 1.00 0.00 C ATOM 225 CG GLU A 15 -21.907 -10.604 -1.992 1.00 0.00 C ATOM 226 CD GLU A 15 -22.950 -11.571 -2.516 1.00 0.00 C ATOM 227 OE1 GLU A 15 -23.045 -11.730 -3.752 1.00 0.00 O ATOM 228 OE2 GLU A 15 -23.669 -12.173 -1.691 1.00 0.00 O ATOM 0 H GLU A 15 -21.797 -8.756 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.086 -8.520 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.114 -8.850 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.096 -9.193 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.916 -10.948 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -21.931 -10.604 -0.902 1.00 0.00 H new ATOM 235 N GLU A 16 -22.312 -6.106 -2.057 1.00 0.00 N ATOM 236 CA GLU A 16 -22.658 -4.776 -2.552 1.00 0.00 C ATOM 237 C GLU A 16 -21.471 -3.825 -2.440 1.00 0.00 C ATOM 238 O GLU A 16 -21.180 -3.071 -3.368 1.00 0.00 O ATOM 239 CB GLU A 16 -23.851 -4.215 -1.777 1.00 0.00 C ATOM 240 CG GLU A 16 -23.599 -4.077 -0.285 1.00 0.00 C ATOM 241 CD GLU A 16 -24.798 -3.522 0.460 1.00 0.00 C ATOM 242 OE1 GLU A 16 -25.221 -2.390 0.144 1.00 0.00 O ATOM 243 OE2 GLU A 16 -25.312 -4.218 1.360 1.00 0.00 O ATOM 0 H GLU A 16 -22.885 -6.427 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.927 -4.867 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -24.111 -3.238 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.712 -4.865 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.339 -5.052 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.741 -3.424 -0.124 1.00 0.00 H new ATOM 250 N MET A 17 -20.789 -3.866 -1.302 1.00 0.00 N ATOM 251 CA MET A 17 -19.632 -3.007 -1.073 1.00 0.00 C ATOM 252 C MET A 17 -18.566 -3.234 -2.135 1.00 0.00 C ATOM 253 O MET A 17 -17.982 -2.285 -2.659 1.00 0.00 O ATOM 254 CB MET A 17 -19.052 -3.258 0.320 1.00 0.00 C ATOM 255 CG MET A 17 -20.005 -2.895 1.447 1.00 0.00 C ATOM 256 SD MET A 17 -19.350 -3.310 3.074 1.00 0.00 S ATOM 257 CE MET A 17 -17.846 -2.339 3.093 1.00 0.00 C ATOM 0 H MET A 17 -21.016 -4.484 -0.523 1.00 0.00 H new ATOM 0 HA MET A 17 -19.962 -1.970 -1.137 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.781 -4.310 0.408 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.133 -2.682 0.432 1.00 0.00 H new ATOM 0 HG2 MET A 17 -20.218 -1.827 1.407 1.00 0.00 H new ATOM 0 HG3 MET A 17 -20.952 -3.414 1.298 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.983 -3.004 3.053 1.00 0.00 H new ATOM 0 HE2 MET A 17 -17.832 -1.674 2.230 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.806 -1.748 4.008 1.00 0.00 H new ATOM 267 N GLN A 18 -18.317 -4.499 -2.452 1.00 0.00 N ATOM 268 CA GLN A 18 -17.322 -4.855 -3.455 1.00 0.00 C ATOM 269 C GLN A 18 -17.667 -4.237 -4.803 1.00 0.00 C ATOM 270 O GLN A 18 -16.808 -3.671 -5.479 1.00 0.00 O ATOM 271 CB GLN A 18 -17.231 -6.373 -3.586 1.00 0.00 C ATOM 272 CG GLN A 18 -16.909 -7.071 -2.278 1.00 0.00 C ATOM 273 CD GLN A 18 -16.988 -8.579 -2.385 1.00 0.00 C ATOM 274 OE1 GLN A 18 -16.251 -9.199 -3.154 1.00 0.00 O ATOM 275 NE2 GLN A 18 -17.889 -9.178 -1.617 1.00 0.00 N ATOM 0 H GLN A 18 -18.791 -5.296 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.357 -4.464 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.177 -6.755 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.465 -6.622 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.908 -6.786 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.601 -6.729 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.478 -8.624 -0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.993 -10.192 -1.649 1.00 0.00 H new ATOM 284 N GLN A 19 -18.931 -4.351 -5.187 1.00 0.00 N ATOM 285 CA GLN A 19 -19.398 -3.802 -6.454 1.00 0.00 C ATOM 286 C GLN A 19 -19.227 -2.289 -6.487 1.00 0.00 C ATOM 287 O GLN A 19 -18.769 -1.726 -7.480 1.00 0.00 O ATOM 288 CB GLN A 19 -20.865 -4.168 -6.686 1.00 0.00 C ATOM 289 CG GLN A 19 -21.119 -5.666 -6.737 1.00 0.00 C ATOM 290 CD GLN A 19 -22.579 -6.003 -6.967 1.00 0.00 C ATOM 291 OE1 GLN A 19 -23.163 -5.621 -7.981 1.00 0.00 O ATOM 292 NE2 GLN A 19 -23.176 -6.721 -6.024 1.00 0.00 N ATOM 0 H GLN A 19 -19.653 -4.819 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.794 -4.235 -7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -21.469 -3.733 -5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.199 -3.719 -7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -20.519 -6.105 -7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -20.788 -6.119 -5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -22.653 -7.016 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -24.158 -6.978 -6.124 1.00 0.00 H new ATOM 301 N ASP A 20 -19.598 -1.638 -5.391 1.00 0.00 N ATOM 302 CA ASP A 20 -19.485 -0.187 -5.289 1.00 0.00 C ATOM 303 C ASP A 20 -18.030 0.249 -5.360 1.00 0.00 C ATOM 304 O ASP A 20 -17.711 1.272 -5.960 1.00 0.00 O ATOM 305 CB ASP A 20 -20.123 0.309 -3.989 1.00 0.00 C ATOM 306 CG ASP A 20 -20.070 1.819 -3.856 1.00 0.00 C ATOM 307 OD1 ASP A 20 -18.952 2.375 -3.853 1.00 0.00 O ATOM 308 OD2 ASP A 20 -21.145 2.446 -3.758 1.00 0.00 O ATOM 0 H ASP A 20 -19.980 -2.091 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 20 -20.017 0.254 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -21.161 -0.020 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.612 -0.146 -3.140 1.00 0.00 H new ATOM 313 N SER A 21 -17.150 -0.533 -4.751 1.00 0.00 N ATOM 314 CA SER A 21 -15.728 -0.218 -4.763 1.00 0.00 C ATOM 315 C SER A 21 -15.170 -0.362 -6.173 1.00 0.00 C ATOM 316 O SER A 21 -14.416 0.489 -6.646 1.00 0.00 O ATOM 317 CB SER A 21 -14.966 -1.130 -3.800 1.00 0.00 C ATOM 318 OG SER A 21 -13.581 -0.831 -3.802 1.00 0.00 O ATOM 0 H SER A 21 -17.393 -1.385 -4.245 1.00 0.00 H new ATOM 0 HA SER A 21 -15.601 0.814 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.365 -1.014 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.117 -2.171 -4.084 1.00 0.00 H new ATOM 0 HG SER A 21 -13.117 -1.427 -3.177 1.00 0.00 H new ATOM 324 N VAL A 22 -15.558 -1.442 -6.844 1.00 0.00 N ATOM 325 CA VAL A 22 -15.109 -1.694 -8.205 1.00 0.00 C ATOM 326 C VAL A 22 -15.659 -0.638 -9.153 1.00 0.00 C ATOM 327 O VAL A 22 -14.932 -0.092 -9.983 1.00 0.00 O ATOM 328 CB VAL A 22 -15.542 -3.092 -8.690 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.032 -3.360 -10.098 1.00 0.00 C ATOM 330 CG2 VAL A 22 -15.058 -4.168 -7.726 1.00 0.00 C ATOM 0 H VAL A 22 -16.182 -2.155 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.020 -1.649 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.631 -3.120 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.350 -4.352 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.436 -2.612 -10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.943 -3.308 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.374 -5.147 -8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.970 -4.138 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.484 -3.990 -6.738 1.00 0.00 H new ATOM 340 N GLU A 23 -16.946 -0.347 -9.012 1.00 0.00 N ATOM 341 CA GLU A 23 -17.597 0.652 -9.841 1.00 0.00 C ATOM 342 C GLU A 23 -17.052 2.038 -9.521 1.00 0.00 C ATOM 343 O GLU A 23 -16.808 2.849 -10.415 1.00 0.00 O ATOM 344 CB GLU A 23 -19.109 0.616 -9.620 1.00 0.00 C ATOM 345 CG GLU A 23 -19.865 1.642 -10.441 1.00 0.00 C ATOM 346 CD GLU A 23 -21.363 1.599 -10.204 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.813 0.759 -9.397 1.00 0.00 O ATOM 348 OE2 GLU A 23 -22.086 2.406 -10.824 1.00 0.00 O ATOM 0 H GLU A 23 -17.559 -0.792 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.390 0.428 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.480 -0.379 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.318 0.783 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.493 2.638 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.664 1.473 -11.499 1.00 0.00 H new ATOM 355 N CYS A 24 -16.864 2.295 -8.233 1.00 0.00 N ATOM 356 CA CYS A 24 -16.346 3.577 -7.775 1.00 0.00 C ATOM 357 C CYS A 24 -14.919 3.797 -8.264 1.00 0.00 C ATOM 358 O CYS A 24 -14.522 4.922 -8.564 1.00 0.00 O ATOM 359 CB CYS A 24 -16.397 3.653 -6.247 1.00 0.00 C ATOM 360 SG CYS A 24 -15.842 5.232 -5.565 1.00 0.00 S ATOM 0 H CYS A 24 -17.063 1.630 -7.485 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.974 4.365 -8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -17.420 3.468 -5.919 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.780 2.855 -5.834 1.00 0.00 H new ATOM 0 HG CYS A 24 -16.120 5.278 -4.296 1.00 0.00 H new ATOM 366 N ALA A 25 -14.151 2.714 -8.353 1.00 0.00 N ATOM 367 CA ALA A 25 -12.777 2.796 -8.817 1.00 0.00 C ATOM 368 C ALA A 25 -12.754 3.107 -10.302 1.00 0.00 C ATOM 369 O ALA A 25 -11.941 3.905 -10.777 1.00 0.00 O ATOM 370 CB ALA A 25 -12.039 1.498 -8.529 1.00 0.00 C ATOM 0 H ALA A 25 -14.460 1.773 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.270 3.599 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.011 1.577 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.039 1.310 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.537 0.675 -9.042 1.00 0.00 H new ATOM 376 N THR A 26 -13.666 2.474 -11.033 1.00 0.00 N ATOM 377 CA THR A 26 -13.766 2.684 -12.467 1.00 0.00 C ATOM 378 C THR A 26 -13.990 4.159 -12.764 1.00 0.00 C ATOM 379 O THR A 26 -13.340 4.740 -13.637 1.00 0.00 O ATOM 380 CB THR A 26 -14.899 1.843 -13.056 1.00 0.00 C ATOM 381 OG1 THR A 26 -14.671 0.464 -12.825 1.00 0.00 O ATOM 382 CG2 THR A 26 -15.078 2.035 -14.547 1.00 0.00 C ATOM 0 H THR A 26 -14.344 1.813 -10.654 1.00 0.00 H new ATOM 0 HA THR A 26 -12.831 2.370 -12.931 1.00 0.00 H new ATOM 0 HB THR A 26 -15.803 2.185 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.757 0.274 -11.867 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.898 1.409 -14.899 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.305 3.081 -14.755 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.160 1.754 -15.063 1.00 0.00 H new ATOM 390 N GLN A 27 -14.899 4.768 -12.011 1.00 0.00 N ATOM 391 CA GLN A 27 -15.191 6.184 -12.174 1.00 0.00 C ATOM 392 C GLN A 27 -13.931 6.996 -11.908 1.00 0.00 C ATOM 393 O GLN A 27 -13.596 7.909 -12.655 1.00 0.00 O ATOM 394 CB GLN A 27 -16.306 6.616 -11.220 1.00 0.00 C ATOM 395 CG GLN A 27 -17.616 5.871 -11.436 1.00 0.00 C ATOM 396 CD GLN A 27 -18.724 6.296 -10.481 1.00 0.00 C ATOM 397 OE1 GLN A 27 -18.434 7.239 -9.586 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 -19.839 5.777 -10.549 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.444 4.304 -11.284 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.527 6.361 -13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.975 6.461 -10.193 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.482 7.685 -11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.950 6.031 -12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.439 4.802 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.025 5.057 -11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.576 6.067 -9.907 1.00 0.00 H new ATOM 407 N ALA A 28 -13.226 6.639 -10.843 1.00 0.00 N ATOM 408 CA ALA A 28 -11.990 7.319 -10.479 1.00 0.00 C ATOM 409 C ALA A 28 -11.049 7.414 -11.671 1.00 0.00 C ATOM 410 O ALA A 28 -10.397 8.436 -11.885 1.00 0.00 O ATOM 411 CB ALA A 28 -11.310 6.585 -9.335 1.00 0.00 C ATOM 0 H ALA A 28 -13.490 5.880 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.238 8.331 -10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.387 7.100 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.974 6.563 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.080 5.565 -9.643 1.00 0.00 H new ATOM 417 N LEU A 29 -10.986 6.339 -12.448 1.00 0.00 N ATOM 418 CA LEU A 29 -10.126 6.297 -13.624 1.00 0.00 C ATOM 419 C LEU A 29 -10.584 7.298 -14.674 1.00 0.00 C ATOM 420 O LEU A 29 -9.799 8.106 -15.168 1.00 0.00 O ATOM 421 CB LEU A 29 -10.101 4.891 -14.214 1.00 0.00 C ATOM 422 CG LEU A 29 -9.300 3.881 -13.400 1.00 0.00 C ATOM 423 CD1 LEU A 29 -9.603 2.463 -13.856 1.00 0.00 C ATOM 424 CD2 LEU A 29 -7.812 4.171 -13.518 1.00 0.00 C ATOM 0 H LEU A 29 -11.520 5.485 -12.285 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.117 6.568 -13.312 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.126 4.532 -14.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.685 4.940 -15.220 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.591 3.972 -12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.021 1.758 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.665 2.258 -13.725 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.340 2.355 -14.908 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.252 3.442 -12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.510 4.105 -14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.606 5.174 -13.143 1.00 0.00 H new ATOM 436 N GLU A 30 -11.864 7.238 -15.008 1.00 0.00 N ATOM 437 CA GLU A 30 -12.439 8.141 -15.999 1.00 0.00 C ATOM 438 C GLU A 30 -12.512 9.566 -15.458 1.00 0.00 C ATOM 439 O GLU A 30 -12.452 10.534 -16.217 1.00 0.00 O ATOM 440 CB GLU A 30 -13.836 7.665 -16.401 1.00 0.00 C ATOM 441 CG GLU A 30 -13.852 6.273 -17.011 1.00 0.00 C ATOM 442 CD GLU A 30 -15.246 5.821 -17.404 1.00 0.00 C ATOM 443 OE1 GLU A 30 -16.204 6.597 -17.198 1.00 0.00 O ATOM 444 OE2 GLU A 30 -15.379 4.690 -17.917 1.00 0.00 O ATOM 0 H GLU A 30 -12.527 6.574 -14.608 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.793 8.137 -16.877 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.481 7.675 -15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.260 8.371 -17.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.209 6.259 -17.891 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.432 5.564 -16.298 1.00 0.00 H new ATOM 451 N LYS A 31 -12.653 9.683 -14.144 1.00 0.00 N ATOM 452 CA LYS A 31 -12.748 10.976 -13.483 1.00 0.00 C ATOM 453 C LYS A 31 -11.378 11.598 -13.251 1.00 0.00 C ATOM 454 O LYS A 31 -11.237 12.820 -13.260 1.00 0.00 O ATOM 455 CB LYS A 31 -13.488 10.833 -12.153 1.00 0.00 C ATOM 456 CG LYS A 31 -15.005 10.854 -12.286 1.00 0.00 C ATOM 457 CD LYS A 31 -15.505 9.858 -13.319 1.00 0.00 C ATOM 458 CE LYS A 31 -16.994 10.028 -13.577 1.00 0.00 C ATOM 459 NZ LYS A 31 -17.497 9.058 -14.588 1.00 0.00 N ATOM 0 H LYS A 31 -12.704 8.886 -13.509 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.306 11.641 -14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.187 9.898 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.180 11.640 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.456 10.629 -11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.330 11.857 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.955 9.991 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.307 8.843 -12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.541 9.896 -12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.189 11.044 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.516 9.207 -14.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.993 9.200 -15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.334 8.088 -14.250 1.00 0.00 H new ATOM 473 N TYR A 32 -10.368 10.761 -13.025 1.00 0.00 N ATOM 474 CA TYR A 32 -9.026 11.269 -12.772 1.00 0.00 C ATOM 475 C TYR A 32 -7.971 10.524 -13.582 1.00 0.00 C ATOM 476 O TYR A 32 -7.070 11.137 -14.153 1.00 0.00 O ATOM 477 CB TYR A 32 -8.704 11.171 -11.281 1.00 0.00 C ATOM 478 CG TYR A 32 -9.695 11.901 -10.403 1.00 0.00 C ATOM 479 CD1 TYR A 32 -9.859 13.277 -10.503 1.00 0.00 C ATOM 480 CD2 TYR A 32 -10.469 11.213 -9.477 1.00 0.00 C ATOM 481 CE1 TYR A 32 -10.767 13.946 -9.704 1.00 0.00 C ATOM 482 CE2 TYR A 32 -11.379 11.876 -8.676 1.00 0.00 C ATOM 483 CZ TYR A 32 -11.524 13.241 -8.793 1.00 0.00 C ATOM 484 OH TYR A 32 -12.430 13.905 -7.997 1.00 0.00 O ATOM 0 H TYR A 32 -10.452 9.745 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.005 12.313 -13.085 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.678 10.121 -10.991 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.707 11.575 -11.105 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.268 13.832 -11.216 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.358 10.143 -9.382 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.883 15.016 -9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.974 11.327 -7.961 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.883 13.263 -7.411 1.00 0.00 H new ATOM 494 N ASN A 33 -8.082 9.202 -13.627 1.00 0.00 N ATOM 495 CA ASN A 33 -7.126 8.382 -14.363 1.00 0.00 C ATOM 496 C ASN A 33 -5.749 8.454 -13.707 1.00 0.00 C ATOM 497 O ASN A 33 -4.741 8.694 -14.371 1.00 0.00 O ATOM 498 CB ASN A 33 -7.043 8.838 -15.825 1.00 0.00 C ATOM 499 CG ASN A 33 -6.267 7.867 -16.698 1.00 0.00 C ATOM 500 OD1 ASN A 33 -6.937 7.314 -17.702 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -5.084 7.618 -16.474 1.00 0.00 N flip ATOM 0 H ASN A 33 -8.823 8.675 -13.164 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.469 7.348 -14.341 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.051 8.953 -16.223 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.569 9.819 -15.869 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.608 8.066 -15.691 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.579 6.963 -17.071 1.00 0.00 H new ATOM 508 N ILE A 34 -5.719 8.244 -12.395 1.00 0.00 N ATOM 509 CA ILE A 34 -4.473 8.281 -11.640 1.00 0.00 C ATOM 510 C ILE A 34 -4.552 7.333 -10.447 1.00 0.00 C ATOM 511 O ILE A 34 -5.337 7.543 -9.526 1.00 0.00 O ATOM 512 CB ILE A 34 -4.161 9.705 -11.139 1.00 0.00 C ATOM 513 CG1 ILE A 34 -4.098 10.680 -12.318 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.852 9.728 -10.357 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.792 12.106 -11.910 1.00 0.00 C ATOM 0 H ILE A 34 -6.546 8.046 -11.832 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.672 7.966 -12.309 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.962 10.018 -10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.336 10.340 -13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.051 10.659 -12.847 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.651 10.743 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.930 9.062 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.038 9.396 -11.001 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.763 12.740 -12.796 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.567 12.465 -11.232 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.826 12.141 -11.407 1.00 0.00 H new ATOM 527 N GLU A 35 -3.732 6.289 -10.482 1.00 0.00 N ATOM 528 CA GLU A 35 -3.703 5.283 -9.421 1.00 0.00 C ATOM 529 C GLU A 35 -3.752 5.922 -8.032 1.00 0.00 C ATOM 530 O GLU A 35 -4.551 5.523 -7.185 1.00 0.00 O ATOM 531 CB GLU A 35 -2.449 4.417 -9.566 1.00 0.00 C ATOM 532 CG GLU A 35 -2.317 3.781 -10.944 1.00 0.00 C ATOM 533 CD GLU A 35 -1.069 2.936 -11.088 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.037 3.461 -10.832 1.00 0.00 O ATOM 535 OE2 GLU A 35 -1.193 1.754 -11.469 1.00 0.00 O ATOM 0 H GLU A 35 -3.072 6.114 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.591 4.658 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.568 5.028 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.468 3.632 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.193 3.162 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.307 4.565 -11.701 1.00 0.00 H new ATOM 542 N LYS A 36 -2.898 6.913 -7.807 1.00 0.00 N ATOM 543 CA LYS A 36 -2.853 7.604 -6.518 1.00 0.00 C ATOM 544 C LYS A 36 -4.215 8.198 -6.151 1.00 0.00 C ATOM 545 O LYS A 36 -4.764 7.908 -5.087 1.00 0.00 O ATOM 546 CB LYS A 36 -1.812 8.727 -6.549 1.00 0.00 C ATOM 547 CG LYS A 36 -1.720 9.504 -5.244 1.00 0.00 C ATOM 548 CD LYS A 36 -0.944 10.802 -5.408 1.00 0.00 C ATOM 549 CE LYS A 36 -1.641 11.754 -6.367 1.00 0.00 C ATOM 550 NZ LYS A 36 -0.927 13.057 -6.473 1.00 0.00 N ATOM 0 H LYS A 36 -2.229 7.257 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.579 6.865 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.836 8.301 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.057 9.417 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.724 9.725 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.237 8.886 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.829 11.283 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.058 10.583 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.705 11.294 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.663 11.926 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.604 13.835 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.191 13.110 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.487 13.137 -7.412 1.00 0.00 H new ATOM 564 N ASP A 37 -4.740 9.045 -7.030 1.00 0.00 N ATOM 565 CA ASP A 37 -6.024 9.705 -6.798 1.00 0.00 C ATOM 566 C ASP A 37 -7.155 8.702 -6.594 1.00 0.00 C ATOM 567 O ASP A 37 -7.991 8.869 -5.704 1.00 0.00 O ATOM 568 CB ASP A 37 -6.359 10.632 -7.967 1.00 0.00 C ATOM 569 CG ASP A 37 -5.342 11.745 -8.132 1.00 0.00 C ATOM 570 OD1 ASP A 37 -5.171 12.538 -7.182 1.00 0.00 O ATOM 571 OD2 ASP A 37 -4.717 11.825 -9.209 1.00 0.00 O ATOM 0 H ASP A 37 -4.295 9.293 -7.914 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.928 10.288 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.408 10.049 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.347 11.066 -7.811 1.00 0.00 H new ATOM 576 N ILE A 38 -7.187 7.665 -7.422 1.00 0.00 N ATOM 577 CA ILE A 38 -8.227 6.642 -7.334 1.00 0.00 C ATOM 578 C ILE A 38 -8.415 6.160 -5.894 1.00 0.00 C ATOM 579 O ILE A 38 -9.529 6.153 -5.368 1.00 0.00 O ATOM 580 CB ILE A 38 -7.883 5.430 -8.232 1.00 0.00 C ATOM 581 CG1 ILE A 38 -7.790 5.857 -9.697 1.00 0.00 C ATOM 582 CG2 ILE A 38 -8.914 4.322 -8.070 1.00 0.00 C ATOM 583 CD1 ILE A 38 -7.336 4.748 -10.620 1.00 0.00 C ATOM 0 H ILE A 38 -6.505 7.508 -8.164 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.155 7.098 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.913 5.043 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.765 6.216 -10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.098 6.695 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.649 3.482 -8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.934 3.993 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.898 4.697 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.293 5.121 -11.643 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.347 4.404 -10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.041 3.918 -10.566 1.00 0.00 H new ATOM 595 N ALA A 39 -7.320 5.747 -5.274 1.00 0.00 N ATOM 596 CA ALA A 39 -7.347 5.245 -3.906 1.00 0.00 C ATOM 597 C ALA A 39 -7.757 6.315 -2.896 1.00 0.00 C ATOM 598 O ALA A 39 -8.399 6.013 -1.891 1.00 0.00 O ATOM 599 CB ALA A 39 -5.985 4.678 -3.537 1.00 0.00 C ATOM 0 H ALA A 39 -6.393 5.749 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.102 4.460 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.012 4.304 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.735 3.862 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.231 5.461 -3.618 1.00 0.00 H new ATOM 605 N ALA A 40 -7.360 7.556 -3.149 1.00 0.00 N ATOM 606 CA ALA A 40 -7.664 8.656 -2.237 1.00 0.00 C ATOM 607 C ALA A 40 -9.154 8.976 -2.178 1.00 0.00 C ATOM 608 O ALA A 40 -9.773 8.912 -1.117 1.00 0.00 O ATOM 609 CB ALA A 40 -6.879 9.897 -2.641 1.00 0.00 C ATOM 0 H ALA A 40 -6.828 7.827 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.366 8.337 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.111 10.713 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.811 9.681 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.152 10.186 -3.656 1.00 0.00 H new ATOM 615 N HIS A 41 -9.725 9.344 -3.314 1.00 0.00 N ATOM 616 CA HIS A 41 -11.136 9.698 -3.376 1.00 0.00 C ATOM 617 C HIS A 41 -12.027 8.532 -2.939 1.00 0.00 C ATOM 618 O HIS A 41 -12.990 8.723 -2.197 1.00 0.00 O ATOM 619 CB HIS A 41 -11.496 10.159 -4.794 1.00 0.00 C ATOM 620 CG HIS A 41 -12.284 9.163 -5.584 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.635 8.965 -5.401 1.00 0.00 N ATOM 622 CD2 HIS A 41 -11.903 8.294 -6.545 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.055 8.019 -6.220 1.00 0.00 C ATOM 624 NE2 HIS A 41 -13.024 7.595 -6.927 1.00 0.00 N ATOM 0 H HIS A 41 -9.234 9.406 -4.206 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.314 10.519 -2.681 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.066 11.086 -4.728 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.577 10.388 -5.333 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -14.220 9.471 -4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.905 8.171 -6.939 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.069 7.654 -6.298 1.00 0.00 H new ATOM 633 N ILE A 42 -11.710 7.327 -3.411 1.00 0.00 N ATOM 634 CA ILE A 42 -12.502 6.149 -3.070 1.00 0.00 C ATOM 635 C ILE A 42 -12.557 5.916 -1.560 1.00 0.00 C ATOM 636 O ILE A 42 -13.638 5.807 -0.987 1.00 0.00 O ATOM 637 CB ILE A 42 -11.960 4.879 -3.767 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.145 4.982 -5.279 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.652 3.630 -3.238 1.00 0.00 C ATOM 640 CD1 ILE A 42 -11.558 3.810 -6.029 1.00 0.00 C ATOM 0 H ILE A 42 -10.917 7.143 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.513 6.345 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.896 4.800 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.209 5.054 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.681 5.902 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.253 2.751 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.476 3.543 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.724 3.701 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.722 3.943 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.488 3.750 -5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.040 2.889 -5.700 1.00 0.00 H new ATOM 652 N LYS A 43 -11.397 5.831 -0.917 1.00 0.00 N ATOM 653 CA LYS A 43 -11.352 5.598 0.524 1.00 0.00 C ATOM 654 C LYS A 43 -12.091 6.696 1.284 1.00 0.00 C ATOM 655 O LYS A 43 -12.683 6.441 2.333 1.00 0.00 O ATOM 656 CB LYS A 43 -9.902 5.465 1.015 1.00 0.00 C ATOM 657 CG LYS A 43 -9.025 6.683 0.755 1.00 0.00 C ATOM 658 CD LYS A 43 -9.191 7.779 1.805 1.00 0.00 C ATOM 659 CE LYS A 43 -8.734 7.329 3.187 1.00 0.00 C ATOM 660 NZ LYS A 43 -9.753 6.489 3.877 1.00 0.00 N ATOM 0 H LYS A 43 -10.484 5.919 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.862 4.656 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.913 5.265 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.448 4.599 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.981 6.371 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.263 7.091 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.620 8.657 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.238 8.080 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.805 6.766 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.516 8.205 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.950 6.885 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.629 6.476 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.392 5.519 3.978 1.00 0.00 H new ATOM 674 N LYS A 44 -12.055 7.914 0.754 1.00 0.00 N ATOM 675 CA LYS A 44 -12.725 9.042 1.395 1.00 0.00 C ATOM 676 C LYS A 44 -14.239 8.864 1.398 1.00 0.00 C ATOM 677 O LYS A 44 -14.892 9.064 2.424 1.00 0.00 O ATOM 678 CB LYS A 44 -12.350 10.351 0.700 1.00 0.00 C ATOM 679 CG LYS A 44 -10.908 10.773 0.938 1.00 0.00 C ATOM 680 CD LYS A 44 -10.533 11.980 0.095 1.00 0.00 C ATOM 681 CE LYS A 44 -11.429 13.172 0.395 1.00 0.00 C ATOM 682 NZ LYS A 44 -11.061 14.367 -0.414 1.00 0.00 N ATOM 0 H LYS A 44 -11.572 8.146 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.389 9.080 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.517 10.245 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.014 11.142 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.766 11.007 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.242 9.943 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.494 12.248 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.608 11.724 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.467 12.905 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.362 13.418 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.697 15.155 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.079 14.639 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.150 14.142 -1.426 1.00 0.00 H new ATOM 696 N GLU A 45 -14.794 8.494 0.254 1.00 0.00 N ATOM 697 CA GLU A 45 -16.232 8.299 0.138 1.00 0.00 C ATOM 698 C GLU A 45 -16.711 7.193 1.076 1.00 0.00 C ATOM 699 O GLU A 45 -17.750 7.322 1.724 1.00 0.00 O ATOM 700 CB GLU A 45 -16.608 7.956 -1.305 1.00 0.00 C ATOM 701 CG GLU A 45 -16.242 9.043 -2.304 1.00 0.00 C ATOM 702 CD GLU A 45 -16.935 10.359 -2.011 1.00 0.00 C ATOM 703 OE1 GLU A 45 -18.183 10.387 -2.013 1.00 0.00 O ATOM 704 OE2 GLU A 45 -16.228 11.363 -1.780 1.00 0.00 O ATOM 0 H GLU A 45 -14.272 8.323 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.722 9.230 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.111 7.029 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.681 7.772 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.163 9.194 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.507 8.713 -3.308 1.00 0.00 H new ATOM 711 N PHE A 46 -15.954 6.103 1.135 1.00 0.00 N ATOM 712 CA PHE A 46 -16.313 4.970 1.979 1.00 0.00 C ATOM 713 C PHE A 46 -16.144 5.264 3.466 1.00 0.00 C ATOM 714 O PHE A 46 -16.995 4.888 4.271 1.00 0.00 O ATOM 715 CB PHE A 46 -15.506 3.735 1.591 1.00 0.00 C ATOM 716 CG PHE A 46 -15.955 3.101 0.303 1.00 0.00 C ATOM 717 CD1 PHE A 46 -15.896 3.797 -0.892 1.00 0.00 C ATOM 718 CD2 PHE A 46 -16.438 1.804 0.293 1.00 0.00 C ATOM 719 CE1 PHE A 46 -16.308 3.209 -2.074 1.00 0.00 C ATOM 720 CE2 PHE A 46 -16.852 1.210 -0.882 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.787 1.914 -2.068 1.00 0.00 C ATOM 0 H PHE A 46 -15.089 5.980 0.609 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.373 4.778 1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.455 4.011 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.576 2.999 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.524 4.811 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.492 1.249 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.255 3.762 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.226 0.197 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.110 1.453 -2.989 1.00 0.00 H new ATOM 731 N ASP A 47 -15.052 5.925 3.842 1.00 0.00 N ATOM 732 CA ASP A 47 -14.828 6.230 5.252 1.00 0.00 C ATOM 733 C ASP A 47 -15.900 7.177 5.775 1.00 0.00 C ATOM 734 O ASP A 47 -16.276 7.118 6.942 1.00 0.00 O ATOM 735 CB ASP A 47 -13.434 6.813 5.494 1.00 0.00 C ATOM 736 CG ASP A 47 -13.170 8.078 4.706 1.00 0.00 C ATOM 737 OD1 ASP A 47 -14.006 9.004 4.767 1.00 0.00 O ATOM 738 OD2 ASP A 47 -12.114 8.148 4.049 1.00 0.00 O ATOM 0 H ASP A 47 -14.324 6.253 3.207 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.891 5.291 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.315 7.024 6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.685 6.066 5.231 1.00 0.00 H new ATOM 743 N LYS A 48 -16.395 8.045 4.903 1.00 0.00 N ATOM 744 CA LYS A 48 -17.428 8.996 5.280 1.00 0.00 C ATOM 745 C LYS A 48 -18.782 8.305 5.438 1.00 0.00 C ATOM 746 O LYS A 48 -19.549 8.622 6.347 1.00 0.00 O ATOM 747 CB LYS A 48 -17.518 10.103 4.230 1.00 0.00 C ATOM 748 CG LYS A 48 -18.648 11.085 4.474 1.00 0.00 C ATOM 749 CD LYS A 48 -18.520 11.758 5.831 1.00 0.00 C ATOM 750 CE LYS A 48 -17.219 12.532 5.951 1.00 0.00 C ATOM 751 NZ LYS A 48 -17.083 13.191 7.279 1.00 0.00 N ATOM 0 H LYS A 48 -16.097 8.109 3.930 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.160 9.432 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.574 10.647 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.648 9.650 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.649 11.842 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.603 10.564 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.361 12.434 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.570 11.005 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.379 11.856 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.172 13.286 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.182 13.708 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.870 13.856 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.102 12.470 8.028 1.00 0.00 H new ATOM 765 N LYS A 49 -19.075 7.375 4.536 1.00 0.00 N ATOM 766 CA LYS A 49 -20.344 6.652 4.557 1.00 0.00 C ATOM 767 C LYS A 49 -20.326 5.479 5.535 1.00 0.00 C ATOM 768 O LYS A 49 -21.233 5.325 6.353 1.00 0.00 O ATOM 769 CB LYS A 49 -20.683 6.146 3.155 1.00 0.00 C ATOM 770 CG LYS A 49 -20.799 7.249 2.118 1.00 0.00 C ATOM 771 CD LYS A 49 -21.160 6.693 0.751 1.00 0.00 C ATOM 772 CE LYS A 49 -21.276 7.797 -0.287 1.00 0.00 C ATOM 773 NZ LYS A 49 -22.326 8.790 0.075 1.00 0.00 N ATOM 0 H LYS A 49 -18.449 7.102 3.778 1.00 0.00 H new ATOM 0 HA LYS A 49 -21.108 7.352 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.915 5.441 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.624 5.597 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.557 7.966 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.855 7.790 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.402 5.975 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.104 6.152 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.316 8.304 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.509 7.360 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.542 9.384 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.187 8.291 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.983 9.390 0.853 1.00 0.00 H new ATOM 787 N TYR A 50 -19.306 4.642 5.424 1.00 0.00 N ATOM 788 CA TYR A 50 -19.179 3.461 6.274 1.00 0.00 C ATOM 789 C TYR A 50 -18.439 3.756 7.575 1.00 0.00 C ATOM 790 O TYR A 50 -18.482 2.954 8.506 1.00 0.00 O ATOM 791 CB TYR A 50 -18.478 2.339 5.510 1.00 0.00 C ATOM 792 CG TYR A 50 -19.246 1.874 4.294 1.00 0.00 C ATOM 793 CD1 TYR A 50 -19.515 2.744 3.245 1.00 0.00 C ATOM 794 CD2 TYR A 50 -19.713 0.570 4.199 1.00 0.00 C ATOM 795 CE1 TYR A 50 -20.225 2.331 2.137 1.00 0.00 C ATOM 796 CE2 TYR A 50 -20.422 0.146 3.090 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.675 1.031 2.063 1.00 0.00 C ATOM 798 OH TYR A 50 -21.384 0.613 0.960 1.00 0.00 O ATOM 0 H TYR A 50 -18.549 4.757 4.751 1.00 0.00 H new ATOM 0 HA TYR A 50 -20.187 3.146 6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.491 2.682 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.325 1.493 6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -19.161 3.763 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -19.520 -0.124 5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -20.427 3.022 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -20.776 -0.873 3.028 1.00 0.00 H new ATOM 0 HH TYR A 50 -21.094 1.121 0.173 1.00 0.00 H new ATOM 808 N ASN A 51 -17.753 4.900 7.624 1.00 0.00 N ATOM 809 CA ASN A 51 -16.979 5.316 8.803 1.00 0.00 C ATOM 810 C ASN A 51 -15.521 4.885 8.660 1.00 0.00 C ATOM 811 O ASN A 51 -15.237 3.752 8.272 1.00 0.00 O ATOM 812 CB ASN A 51 -17.565 4.740 10.100 1.00 0.00 C ATOM 813 CG ASN A 51 -16.940 5.346 11.343 1.00 0.00 C ATOM 814 OD1 ASN A 51 -17.070 6.544 11.595 1.00 0.00 O ATOM 815 ND2 ASN A 51 -16.259 4.519 12.126 1.00 0.00 N ATOM 0 H ASN A 51 -17.716 5.565 6.851 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.033 6.403 8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -18.641 4.914 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.417 3.660 10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.817 4.869 12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.177 3.533 11.878 1.00 0.00 H new ATOM 822 N PRO A 52 -14.571 5.789 8.962 1.00 0.00 N ATOM 823 CA PRO A 52 -13.137 5.498 8.856 1.00 0.00 C ATOM 824 C PRO A 52 -12.715 4.287 9.689 1.00 0.00 C ATOM 825 O PRO A 52 -13.484 3.808 10.523 1.00 0.00 O ATOM 826 CB PRO A 52 -12.459 6.772 9.379 1.00 0.00 C ATOM 827 CG PRO A 52 -13.526 7.510 10.115 1.00 0.00 C ATOM 828 CD PRO A 52 -14.810 7.165 9.424 1.00 0.00 C ATOM 0 HA PRO A 52 -12.859 5.245 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.622 6.532 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.060 7.370 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.554 7.214 11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.346 8.585 10.092 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.662 7.222 10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.017 7.840 8.594 1.00 0.00 H new ATOM 836 N THR A 53 -11.492 3.785 9.465 1.00 0.00 N ATOM 837 CA THR A 53 -10.574 4.350 8.477 1.00 0.00 C ATOM 838 C THR A 53 -10.314 3.364 7.347 1.00 0.00 C ATOM 839 O THR A 53 -10.078 2.182 7.589 1.00 0.00 O ATOM 840 CB THR A 53 -9.259 4.733 9.150 1.00 0.00 C ATOM 841 OG1 THR A 53 -8.400 5.396 8.239 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.506 3.547 9.711 1.00 0.00 C ATOM 0 H THR A 53 -11.116 2.979 9.964 1.00 0.00 H new ATOM 0 HA THR A 53 -11.035 5.241 8.051 1.00 0.00 H new ATOM 0 HB THR A 53 -9.539 5.389 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.837 4.737 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.581 3.890 10.175 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.122 3.045 10.457 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.272 2.851 8.906 1.00 0.00 H new ATOM 850 N TRP A 54 -10.364 3.857 6.112 1.00 0.00 N ATOM 851 CA TRP A 54 -10.142 3.013 4.944 1.00 0.00 C ATOM 852 C TRP A 54 -8.743 3.169 4.373 1.00 0.00 C ATOM 853 O TRP A 54 -8.289 4.278 4.090 1.00 0.00 O ATOM 854 CB TRP A 54 -11.175 3.323 3.866 1.00 0.00 C ATOM 855 CG TRP A 54 -12.561 2.963 4.278 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.272 3.508 5.305 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.396 1.962 3.692 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.505 2.917 5.390 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.607 1.959 4.410 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.240 1.068 2.630 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.654 1.095 4.097 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.278 0.211 2.322 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.472 0.230 3.053 1.00 0.00 C ATOM 0 H TRP A 54 -10.556 4.835 5.896 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.249 1.979 5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -11.136 4.386 3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -10.918 2.781 2.956 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -12.915 4.292 5.957 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.229 3.150 6.070 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.323 1.047 2.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.576 1.108 4.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.167 -0.485 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.266 -0.452 2.787 1.00 0.00 H new ATOM 874 N HIS A 55 -8.079 2.037 4.176 1.00 0.00 N ATOM 875 CA HIS A 55 -6.743 2.017 3.604 1.00 0.00 C ATOM 876 C HIS A 55 -6.844 1.560 2.153 1.00 0.00 C ATOM 877 O HIS A 55 -7.595 0.633 1.850 1.00 0.00 O ATOM 878 CB HIS A 55 -5.846 1.070 4.401 1.00 0.00 C ATOM 879 CG HIS A 55 -6.062 1.162 5.882 1.00 0.00 C ATOM 880 ND1 HIS A 55 -5.947 2.339 6.592 1.00 0.00 N ATOM 881 CD2 HIS A 55 -6.394 0.212 6.785 1.00 0.00 C ATOM 882 CE1 HIS A 55 -6.196 2.108 7.869 1.00 0.00 C ATOM 883 NE2 HIS A 55 -6.471 0.825 8.013 1.00 0.00 N ATOM 0 H HIS A 55 -8.449 1.115 4.407 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.304 3.014 3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.030 0.046 4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.803 1.293 4.177 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.707 3.247 6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.567 -0.834 6.580 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.178 2.843 8.660 1.00 0.00 H new ATOM 892 N CYS A 56 -6.122 2.214 1.251 1.00 0.00 N ATOM 893 CA CYS A 56 -6.204 1.842 -0.158 1.00 0.00 C ATOM 894 C CYS A 56 -4.865 1.974 -0.873 1.00 0.00 C ATOM 895 O CYS A 56 -4.013 2.781 -0.497 1.00 0.00 O ATOM 896 CB CYS A 56 -7.257 2.693 -0.867 1.00 0.00 C ATOM 897 SG CYS A 56 -7.603 2.175 -2.564 1.00 0.00 S ATOM 0 H CYS A 56 -5.488 2.985 1.460 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.492 0.791 -0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.183 2.660 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.924 3.731 -0.876 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.594 0.877 -2.632 1.00 0.00 H new ATOM 903 N ILE A 57 -4.698 1.164 -1.913 1.00 0.00 N ATOM 904 CA ILE A 57 -3.483 1.155 -2.713 1.00 0.00 C ATOM 905 C ILE A 57 -3.814 0.799 -4.160 1.00 0.00 C ATOM 906 O ILE A 57 -4.780 0.079 -4.421 1.00 0.00 O ATOM 907 CB ILE A 57 -2.454 0.146 -2.162 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.147 0.450 -0.695 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.177 0.176 -2.991 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.170 -0.520 -0.071 1.00 0.00 C ATOM 0 H ILE A 57 -5.403 0.495 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.047 2.153 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.881 -0.855 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.744 1.460 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.077 0.434 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.464 -0.542 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.408 -0.084 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.744 1.176 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.998 -0.245 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.580 -1.529 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.226 -0.487 -0.616 1.00 0.00 H new ATOM 922 N VAL A 58 -3.021 1.306 -5.099 1.00 0.00 N ATOM 923 CA VAL A 58 -3.256 1.036 -6.511 1.00 0.00 C ATOM 924 C VAL A 58 -1.970 1.166 -7.312 1.00 0.00 C ATOM 925 O VAL A 58 -1.233 2.143 -7.169 1.00 0.00 O ATOM 926 CB VAL A 58 -4.319 1.991 -7.095 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.586 1.678 -8.561 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.605 1.915 -6.287 1.00 0.00 C ATOM 0 H VAL A 58 -2.216 1.902 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.623 0.012 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.932 3.008 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.338 2.365 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.664 1.791 -9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.947 0.654 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.343 2.595 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.992 0.896 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.403 2.199 -5.254 1.00 0.00 H new ATOM 938 N GLY A 59 -1.706 0.176 -8.151 1.00 0.00 N ATOM 939 CA GLY A 59 -0.505 0.195 -8.962 1.00 0.00 C ATOM 940 C GLY A 59 -0.414 -1.006 -9.885 1.00 0.00 C ATOM 941 O GLY A 59 -1.385 -1.356 -10.557 1.00 0.00 O ATOM 0 H GLY A 59 -2.302 -0.641 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.485 1.109 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.369 0.218 -8.312 1.00 0.00 H new ATOM 945 N ARG A 60 0.753 -1.639 -9.914 1.00 0.00 N ATOM 946 CA ARG A 60 0.966 -2.811 -10.764 1.00 0.00 C ATOM 947 C ARG A 60 2.358 -3.401 -10.545 1.00 0.00 C ATOM 948 O ARG A 60 3.031 -3.793 -11.496 1.00 0.00 O ATOM 949 CB ARG A 60 0.775 -2.436 -12.235 1.00 0.00 C ATOM 950 CG ARG A 60 1.669 -1.295 -12.690 1.00 0.00 C ATOM 951 CD ARG A 60 1.392 -0.905 -14.134 1.00 0.00 C ATOM 952 NE ARG A 60 1.812 -1.939 -15.078 1.00 0.00 N ATOM 953 CZ ARG A 60 3.082 -2.279 -15.290 1.00 0.00 C ATOM 954 NH1 ARG A 60 4.061 -1.657 -14.643 1.00 0.00 N ATOM 955 NH2 ARG A 60 3.376 -3.235 -16.160 1.00 0.00 N ATOM 0 H ARG A 60 1.565 -1.364 -9.362 1.00 0.00 H new ATOM 0 HA ARG A 60 0.231 -3.568 -10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.973 -3.311 -12.854 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.266 -2.159 -12.399 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.514 -0.431 -12.044 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.714 -1.588 -12.586 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.326 -0.714 -14.258 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.912 0.026 -14.363 1.00 0.00 H new ATOM 0 HE ARG A 60 1.090 -2.429 -15.606 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.842 -0.914 -13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.032 -1.922 -14.810 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.629 -3.710 -16.667 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.349 -3.495 -16.322 1.00 0.00 H new ATOM 969 N ASN A 61 2.767 -3.458 -9.278 1.00 0.00 N ATOM 970 CA ASN A 61 4.072 -3.991 -8.873 1.00 0.00 C ATOM 971 C ASN A 61 4.438 -3.421 -7.509 1.00 0.00 C ATOM 972 O ASN A 61 5.122 -2.401 -7.421 1.00 0.00 O ATOM 973 CB ASN A 61 5.172 -3.638 -9.887 1.00 0.00 C ATOM 974 CG ASN A 61 6.548 -4.169 -9.505 1.00 0.00 C ATOM 975 OD1 ASN A 61 6.613 -5.057 -8.513 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 7.549 -3.799 -10.118 1.00 0.00 N flip ATOM 0 H ASN A 61 2.199 -3.133 -8.496 1.00 0.00 H new ATOM 0 HA ASN A 61 3.998 -5.078 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.896 -4.037 -10.863 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.226 -2.554 -9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.462 -3.118 -10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.465 -4.174 -9.872 1.00 0.00 H new ATOM 983 N PHE A 62 3.960 -4.059 -6.447 1.00 0.00 N ATOM 984 CA PHE A 62 4.229 -3.567 -5.102 1.00 0.00 C ATOM 985 C PHE A 62 3.748 -4.528 -4.023 1.00 0.00 C ATOM 986 O PHE A 62 2.661 -5.097 -4.112 1.00 0.00 O ATOM 987 CB PHE A 62 3.544 -2.216 -4.922 1.00 0.00 C ATOM 988 CG PHE A 62 2.041 -2.288 -4.974 1.00 0.00 C ATOM 989 CD1 PHE A 62 1.318 -2.778 -3.898 1.00 0.00 C ATOM 990 CD2 PHE A 62 1.350 -1.871 -6.103 1.00 0.00 C ATOM 991 CE1 PHE A 62 -0.062 -2.850 -3.945 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.029 -1.942 -6.155 1.00 0.00 C ATOM 993 CZ PHE A 62 -0.735 -2.431 -5.074 1.00 0.00 C ATOM 0 H PHE A 62 3.393 -4.906 -6.489 1.00 0.00 H new ATOM 0 HA PHE A 62 5.309 -3.473 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.846 -1.790 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.893 -1.535 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.839 -3.108 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.897 -1.486 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.612 -3.234 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.554 -1.615 -7.040 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.813 -2.485 -5.112 1.00 0.00 H new ATOM 1003 N GLY A 63 4.565 -4.675 -2.988 1.00 0.00 N ATOM 1004 CA GLY A 63 4.211 -5.536 -1.874 1.00 0.00 C ATOM 1005 C GLY A 63 3.428 -4.771 -0.824 1.00 0.00 C ATOM 1006 O GLY A 63 3.809 -3.659 -0.459 1.00 0.00 O ATOM 0 H GLY A 63 5.470 -4.212 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.618 -6.377 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.115 -5.951 -1.428 1.00 0.00 H new ATOM 1010 N SER A 64 2.321 -5.338 -0.350 1.00 0.00 N ATOM 1011 CA SER A 64 1.501 -4.649 0.643 1.00 0.00 C ATOM 1012 C SER A 64 1.259 -5.492 1.890 1.00 0.00 C ATOM 1013 O SER A 64 1.055 -6.705 1.813 1.00 0.00 O ATOM 1014 CB SER A 64 0.160 -4.246 0.029 1.00 0.00 C ATOM 1015 OG SER A 64 0.347 -3.417 -1.104 1.00 0.00 O ATOM 0 H SER A 64 1.976 -6.256 -0.631 1.00 0.00 H new ATOM 0 HA SER A 64 2.054 -3.761 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.395 -5.139 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.441 -3.722 0.772 1.00 0.00 H new ATOM 0 HG SER A 64 0.558 -3.972 -1.884 1.00 0.00 H new ATOM 1021 N TYR A 65 1.261 -4.819 3.038 1.00 0.00 N ATOM 1022 CA TYR A 65 1.019 -5.460 4.325 1.00 0.00 C ATOM 1023 C TYR A 65 0.342 -4.458 5.255 1.00 0.00 C ATOM 1024 O TYR A 65 0.865 -3.370 5.495 1.00 0.00 O ATOM 1025 CB TYR A 65 2.333 -5.951 4.940 1.00 0.00 C ATOM 1026 CG TYR A 65 2.145 -6.985 6.030 1.00 0.00 C ATOM 1027 CD1 TYR A 65 1.368 -6.717 7.152 1.00 0.00 C ATOM 1028 CD2 TYR A 65 2.745 -8.234 5.934 1.00 0.00 C ATOM 1029 CE1 TYR A 65 1.196 -7.665 8.144 1.00 0.00 C ATOM 1030 CE2 TYR A 65 2.578 -9.187 6.921 1.00 0.00 C ATOM 1031 CZ TYR A 65 1.803 -8.897 8.023 1.00 0.00 C ATOM 1032 OH TYR A 65 1.634 -9.841 9.009 1.00 0.00 O ATOM 0 H TYR A 65 1.430 -3.815 3.101 1.00 0.00 H new ATOM 0 HA TYR A 65 0.372 -6.325 4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.956 -6.375 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.873 -5.098 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.891 -5.753 7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.353 -8.465 5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.589 -7.441 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.052 -10.153 6.829 1.00 0.00 H new ATOM 0 HH TYR A 65 2.126 -10.654 8.771 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.842 -4.812 5.745 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.615 -3.924 6.612 1.00 0.00 C ATOM 1044 C VAL A 66 -2.627 -4.714 7.434 1.00 0.00 C ATOM 1045 O VAL A 66 -2.927 -5.847 7.104 1.00 0.00 O ATOM 1046 CB VAL A 66 -2.394 -2.894 5.764 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -3.073 -1.857 6.641 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -1.486 -2.220 4.746 1.00 0.00 C ATOM 0 H VAL A 66 -1.289 -5.709 5.557 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.912 -3.419 7.275 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.168 -3.438 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.612 -1.147 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.773 -2.352 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.321 -1.327 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.062 -1.501 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.678 -1.703 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.066 -2.973 4.079 1.00 0.00 H new ATOM 1058 N THR A 67 -3.165 -4.108 8.489 1.00 0.00 N ATOM 1059 CA THR A 67 -4.168 -4.757 9.324 1.00 0.00 C ATOM 1060 C THR A 67 -5.562 -4.340 8.866 1.00 0.00 C ATOM 1061 O THR A 67 -5.702 -3.391 8.094 1.00 0.00 O ATOM 1062 CB THR A 67 -3.950 -4.379 10.786 1.00 0.00 C ATOM 1063 OG1 THR A 67 -3.937 -2.971 10.943 1.00 0.00 O ATOM 1064 CG2 THR A 67 -2.659 -4.922 11.362 1.00 0.00 C ATOM 0 H THR A 67 -2.920 -3.163 8.786 1.00 0.00 H new ATOM 0 HA THR A 67 -4.075 -5.839 9.229 1.00 0.00 H new ATOM 0 HB THR A 67 -4.783 -4.828 11.327 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.439 -2.737 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.568 -4.615 12.404 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.664 -6.010 11.303 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.815 -4.532 10.794 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.594 -5.055 9.311 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.955 -4.733 8.891 1.00 0.00 C ATOM 1074 C HIS A 68 -9.011 -5.451 9.721 1.00 0.00 C ATOM 1075 O HIS A 68 -8.840 -6.606 10.111 1.00 0.00 O ATOM 1076 CB HIS A 68 -8.118 -5.110 7.425 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.787 -6.542 7.168 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -6.698 -7.102 6.599 1.00 0.00 N flip ATOM 1079 CD2 HIS A 68 -8.598 -7.586 7.553 1.00 0.00 C flip ATOM 1080 CE1 HIS A 68 -6.866 -8.463 6.649 1.00 0.00 C flip ATOM 1081 NE2 HIS A 68 -8.022 -8.730 7.230 1.00 0.00 N flip ATOM 0 H HIS A 68 -6.517 -5.846 9.950 1.00 0.00 H new ATOM 0 HA HIS A 68 -8.105 -3.664 9.039 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.144 -4.915 7.114 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.475 -4.476 6.815 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -9.555 -7.485 8.043 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.167 -9.196 6.274 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.404 -9.660 7.400 1.00 0.00 H new ATOM 1090 N GLU A 69 -10.116 -4.753 9.967 1.00 0.00 N ATOM 1091 CA GLU A 69 -11.229 -5.302 10.727 1.00 0.00 C ATOM 1092 C GLU A 69 -11.997 -6.325 9.889 1.00 0.00 C ATOM 1093 O GLU A 69 -12.120 -6.172 8.675 1.00 0.00 O ATOM 1094 CB GLU A 69 -12.164 -4.175 11.169 1.00 0.00 C ATOM 1095 CG GLU A 69 -13.327 -4.644 12.024 1.00 0.00 C ATOM 1096 CD GLU A 69 -14.249 -3.510 12.428 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -14.813 -2.855 11.528 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -14.407 -3.278 13.645 1.00 0.00 O ATOM 0 H GLU A 69 -10.263 -3.796 9.646 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.835 -5.805 11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.589 -3.437 11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.555 -3.672 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.898 -5.393 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.941 -5.130 12.920 1.00 0.00 H new ATOM 1105 N THR A 70 -12.503 -7.369 10.539 1.00 0.00 N ATOM 1106 CA THR A 70 -13.251 -8.415 9.844 1.00 0.00 C ATOM 1107 C THR A 70 -14.400 -7.835 9.026 1.00 0.00 C ATOM 1108 O THR A 70 -14.994 -6.824 9.399 1.00 0.00 O ATOM 1109 CB THR A 70 -13.795 -9.437 10.839 1.00 0.00 C ATOM 1110 OG1 THR A 70 -14.643 -8.811 11.787 1.00 0.00 O ATOM 1111 CG2 THR A 70 -12.715 -10.171 11.602 1.00 0.00 C ATOM 0 H THR A 70 -12.410 -7.514 11.544 1.00 0.00 H new ATOM 0 HA THR A 70 -12.559 -8.908 9.161 1.00 0.00 H new ATOM 0 HB THR A 70 -14.342 -10.161 10.235 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.983 -9.482 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.174 -10.881 12.290 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.075 -10.707 10.901 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.117 -9.455 12.165 1.00 0.00 H new ATOM 1119 N LYS A 71 -14.705 -8.481 7.903 1.00 0.00 N ATOM 1120 CA LYS A 71 -15.778 -8.031 7.023 1.00 0.00 C ATOM 1121 C LYS A 71 -15.486 -6.635 6.495 1.00 0.00 C ATOM 1122 O LYS A 71 -16.389 -5.819 6.325 1.00 0.00 O ATOM 1123 CB LYS A 71 -17.119 -8.049 7.760 1.00 0.00 C ATOM 1124 CG LYS A 71 -17.592 -9.446 8.122 1.00 0.00 C ATOM 1125 CD LYS A 71 -17.782 -10.305 6.881 1.00 0.00 C ATOM 1126 CE LYS A 71 -18.240 -11.708 7.238 1.00 0.00 C ATOM 1127 NZ LYS A 71 -18.440 -12.553 6.028 1.00 0.00 N ATOM 0 H LYS A 71 -14.222 -9.320 7.581 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.837 -8.716 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.032 -7.456 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.873 -7.568 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.867 -9.917 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.532 -9.383 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.515 -9.838 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.845 -10.357 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.502 -12.176 7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.172 -11.653 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.752 -13.502 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.163 -12.120 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.545 -12.627 5.504 1.00 0.00 H new ATOM 1141 N HIS A 72 -14.212 -6.380 6.231 1.00 0.00 N ATOM 1142 CA HIS A 72 -13.773 -5.090 5.713 1.00 0.00 C ATOM 1143 C HIS A 72 -12.465 -5.245 4.945 1.00 0.00 C ATOM 1144 O HIS A 72 -11.474 -4.577 5.235 1.00 0.00 O ATOM 1145 CB HIS A 72 -13.597 -4.087 6.857 1.00 0.00 C ATOM 1146 CG HIS A 72 -14.826 -3.916 7.698 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -16.033 -3.484 7.189 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -15.031 -4.127 9.019 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -16.927 -3.438 8.161 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -16.344 -3.823 9.282 1.00 0.00 N ATOM 0 H HIS A 72 -13.459 -7.054 6.368 1.00 0.00 H new ATOM 0 HA HIS A 72 -14.537 -4.713 5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -12.774 -4.414 7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -13.314 -3.120 6.441 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.298 -4.471 9.734 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -17.959 -3.137 8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.796 -3.884 10.195 1.00 0.00 H new ATOM 1159 N PHE A 73 -12.475 -6.146 3.965 1.00 0.00 N ATOM 1160 CA PHE A 73 -11.297 -6.418 3.150 1.00 0.00 C ATOM 1161 C PHE A 73 -11.707 -6.758 1.719 1.00 0.00 C ATOM 1162 O PHE A 73 -12.659 -7.505 1.499 1.00 0.00 O ATOM 1163 CB PHE A 73 -10.491 -7.567 3.777 1.00 0.00 C ATOM 1164 CG PHE A 73 -9.398 -8.128 2.902 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -9.700 -8.820 1.738 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -8.067 -7.966 3.251 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -8.696 -9.336 0.941 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -7.059 -8.482 2.457 1.00 0.00 C ATOM 1169 CZ PHE A 73 -7.374 -9.167 1.300 1.00 0.00 C ATOM 0 H PHE A 73 -13.293 -6.703 3.716 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.669 -5.527 3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.046 -7.214 4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.177 -8.373 4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.732 -8.957 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.814 -7.430 4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.946 -9.872 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.026 -8.349 2.742 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.588 -9.569 0.678 1.00 0.00 H new ATOM 1179 N ILE A 74 -10.983 -6.205 0.745 1.00 0.00 N ATOM 1180 CA ILE A 74 -11.287 -6.457 -0.658 1.00 0.00 C ATOM 1181 C ILE A 74 -10.095 -6.141 -1.560 1.00 0.00 C ATOM 1182 O ILE A 74 -9.377 -5.165 -1.345 1.00 0.00 O ATOM 1183 CB ILE A 74 -12.503 -5.632 -1.126 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -12.831 -5.943 -2.589 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -12.235 -4.144 -0.941 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -14.005 -5.156 -3.127 1.00 0.00 C ATOM 0 H ILE A 74 -10.189 -5.585 0.903 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.519 -7.519 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 74 -13.364 -5.906 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.954 -5.735 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.043 -7.008 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -13.102 -3.574 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.048 -3.936 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.363 -3.856 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.179 -5.428 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.895 -5.382 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.789 -4.090 -3.062 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.901 -6.980 -2.576 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.808 -6.804 -3.528 1.00 0.00 C ATOM 1200 C TYR A 75 -9.253 -7.258 -4.917 1.00 0.00 C ATOM 1201 O TYR A 75 -9.974 -8.249 -5.044 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.585 -7.606 -3.077 1.00 0.00 C ATOM 1203 CG TYR A 75 -6.315 -7.217 -3.794 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -6.173 -7.411 -5.162 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.259 -6.643 -3.100 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -5.013 -7.043 -5.815 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.097 -6.275 -3.746 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.979 -6.476 -5.102 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.824 -6.108 -5.749 1.00 0.00 O ATOM 0 H TYR A 75 -10.490 -7.792 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.538 -5.749 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.445 -7.468 -2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.775 -8.667 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.981 -7.856 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.349 -6.482 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.917 -7.199 -6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.284 -5.831 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.514 -6.849 -6.311 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.842 -6.533 -5.959 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.240 -6.891 -7.318 1.00 0.00 C ATOM 1221 C PHE A 76 -8.460 -6.107 -8.372 1.00 0.00 C ATOM 1222 O PHE A 76 -8.234 -4.904 -8.231 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.739 -6.646 -7.503 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.142 -5.211 -7.311 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.972 -4.586 -6.086 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.687 -4.486 -8.358 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.341 -3.265 -5.908 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.056 -3.166 -8.187 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.884 -2.554 -6.961 1.00 0.00 C ATOM 0 H PHE A 76 -8.245 -5.709 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.014 -7.948 -7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.030 -6.966 -8.504 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.290 -7.267 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.546 -5.137 -5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.825 -4.958 -9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.205 -2.790 -4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.479 -2.612 -9.012 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.173 -1.522 -6.826 1.00 0.00 H new ATOM 1239 N TYR A 77 -8.067 -6.804 -9.436 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.330 -6.190 -10.538 1.00 0.00 C ATOM 1241 C TYR A 77 -8.298 -5.622 -11.573 1.00 0.00 C ATOM 1242 O TYR A 77 -9.429 -6.090 -11.695 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.407 -7.212 -11.207 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.358 -7.797 -10.287 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -5.715 -8.593 -9.205 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -4.007 -7.555 -10.506 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -4.756 -9.128 -8.368 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -3.044 -8.088 -9.672 1.00 0.00 C ATOM 1249 CZ TYR A 77 -3.421 -8.874 -8.605 1.00 0.00 C ATOM 1250 OH TYR A 77 -2.464 -9.408 -7.773 1.00 0.00 O ATOM 0 H TYR A 77 -8.248 -7.800 -9.558 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.724 -5.381 -10.130 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.013 -8.023 -11.610 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.909 -6.736 -12.052 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.759 -8.796 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.706 -6.941 -11.341 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.050 -9.743 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.998 -7.889 -9.856 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.574 -9.134 -8.079 1.00 0.00 H new ATOM 1260 N LEU A 78 -7.852 -4.616 -12.320 1.00 0.00 N ATOM 1261 CA LEU A 78 -8.692 -4.002 -13.345 1.00 0.00 C ATOM 1262 C LEU A 78 -7.853 -3.350 -14.438 1.00 0.00 C ATOM 1263 O LEU A 78 -6.916 -2.599 -14.157 1.00 0.00 O ATOM 1264 CB LEU A 78 -9.627 -2.965 -12.721 1.00 0.00 C ATOM 1265 CG LEU A 78 -10.532 -2.232 -13.715 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.313 -3.225 -14.563 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.480 -1.297 -12.979 1.00 0.00 C ATOM 0 H LEU A 78 -6.920 -4.210 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.287 -4.795 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.253 -3.461 -11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.025 -2.229 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.904 -1.637 -14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.950 -2.684 -15.263 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.618 -3.855 -15.118 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.931 -3.848 -13.917 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.117 -0.783 -13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.100 -1.874 -12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.903 -0.563 -12.416 1.00 0.00 H new ATOM 1279 N GLY A 79 -8.193 -3.656 -15.687 1.00 0.00 N ATOM 1280 CA GLY A 79 -7.470 -3.111 -16.816 1.00 0.00 C ATOM 1281 C GLY A 79 -6.054 -3.617 -16.845 1.00 0.00 C ATOM 1282 O GLY A 79 -5.743 -4.580 -17.546 1.00 0.00 O ATOM 0 H GLY A 79 -8.963 -4.277 -15.935 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.976 -3.383 -17.742 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.470 -2.022 -16.761 1.00 0.00 H new ATOM 1286 N GLN A 80 -5.202 -2.988 -16.051 1.00 0.00 N ATOM 1287 CA GLN A 80 -3.815 -3.393 -15.955 1.00 0.00 C ATOM 1288 C GLN A 80 -3.185 -2.812 -14.693 1.00 0.00 C ATOM 1289 O GLN A 80 -2.043 -2.351 -14.710 1.00 0.00 O ATOM 1290 CB GLN A 80 -3.015 -2.944 -17.187 1.00 0.00 C ATOM 1291 CG GLN A 80 -3.547 -3.476 -18.507 1.00 0.00 C ATOM 1292 CD GLN A 80 -2.674 -3.089 -19.684 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -2.472 -1.906 -19.959 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -2.151 -4.086 -20.388 1.00 0.00 N ATOM 0 H GLN A 80 -5.451 -2.193 -15.463 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.788 -4.482 -15.908 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.009 -1.855 -17.224 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.980 -3.265 -17.070 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.619 -4.562 -18.454 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.556 -3.097 -18.667 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.344 -5.052 -20.125 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.556 -3.885 -21.192 1.00 0.00 H new ATOM 1303 N VAL A 81 -3.942 -2.833 -13.601 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.464 -2.304 -12.330 1.00 0.00 C ATOM 1305 C VAL A 81 -4.209 -2.932 -11.156 1.00 0.00 C ATOM 1306 O VAL A 81 -5.435 -3.031 -11.165 1.00 0.00 O ATOM 1307 CB VAL A 81 -3.622 -0.772 -12.263 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -2.785 -0.100 -13.342 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -5.086 -0.379 -12.396 1.00 0.00 C ATOM 0 H VAL A 81 -4.889 -3.211 -13.571 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.406 -2.556 -12.262 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.264 -0.432 -11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.910 0.981 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.735 -0.353 -13.198 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.110 -0.446 -14.323 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.177 0.706 -12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.472 -0.732 -13.352 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.659 -0.829 -11.585 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.452 -3.357 -10.150 1.00 0.00 N ATOM 1320 CA ALA A 82 -4.027 -3.980 -8.964 1.00 0.00 C ATOM 1321 C ALA A 82 -4.656 -2.944 -8.039 1.00 0.00 C ATOM 1322 O ALA A 82 -4.090 -1.874 -7.810 1.00 0.00 O ATOM 1323 CB ALA A 82 -2.961 -4.772 -8.225 1.00 0.00 C ATOM 0 H ALA A 82 -2.435 -3.281 -10.133 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.817 -4.657 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.399 -5.234 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.564 -5.547 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.155 -4.103 -7.924 1.00 0.00 H new ATOM 1329 N ILE A 83 -5.828 -3.276 -7.508 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.543 -2.386 -6.601 1.00 0.00 C ATOM 1331 C ILE A 83 -6.796 -3.070 -5.261 1.00 0.00 C ATOM 1332 O ILE A 83 -7.080 -4.267 -5.210 1.00 0.00 O ATOM 1333 CB ILE A 83 -7.891 -1.934 -7.202 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -7.667 -1.266 -8.561 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.607 -0.984 -6.253 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -8.946 -0.805 -9.225 1.00 0.00 C ATOM 0 H ILE A 83 -6.304 -4.159 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.914 -1.509 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.520 -2.813 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.005 -0.410 -8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.156 -1.967 -9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.555 -0.676 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.794 -1.489 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.985 -0.106 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.712 -0.341 -10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.601 -1.661 -9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.448 -0.080 -8.584 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.689 -2.307 -4.179 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.903 -2.847 -2.841 1.00 0.00 C ATOM 1350 C LEU A 84 -7.595 -1.828 -1.943 1.00 0.00 C ATOM 1351 O LEU A 84 -7.282 -0.639 -1.980 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.571 -3.273 -2.219 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.658 -3.757 -0.769 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.640 -4.914 -0.648 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -4.282 -4.166 -0.264 1.00 0.00 C ATOM 0 H LEU A 84 -6.456 -1.314 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.549 -3.720 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.142 -4.070 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.881 -2.431 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.022 -2.936 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.688 -5.244 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.629 -4.587 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.308 -5.740 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.360 -4.508 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.892 -4.972 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.607 -3.311 -0.313 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.538 -2.306 -1.135 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.277 -1.440 -0.226 1.00 0.00 C ATOM 1369 C LEU A 85 -9.753 -2.216 0.999 1.00 0.00 C ATOM 1370 O LEU A 85 -10.150 -3.380 0.898 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.477 -0.815 -0.941 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.299 0.155 -0.090 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.452 1.344 0.335 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.531 0.619 -0.854 1.00 0.00 C ATOM 0 H LEU A 85 -8.807 -3.289 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.605 -0.647 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.120 -0.287 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.131 -1.614 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.628 -0.367 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.054 2.022 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.602 0.994 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.092 1.869 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.105 1.308 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.223 1.124 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.149 -0.243 -1.106 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.699 -1.564 2.155 1.00 0.00 N ATOM 1387 CA PHE A 86 -10.113 -2.186 3.407 1.00 0.00 C ATOM 1388 C PHE A 86 -10.015 -1.194 4.562 1.00 0.00 C ATOM 1389 O PHE A 86 -9.003 -0.514 4.718 1.00 0.00 O ATOM 1390 CB PHE A 86 -9.235 -3.399 3.702 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.772 -3.073 3.746 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -7.040 -2.927 2.578 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -7.131 -2.899 4.959 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.694 -2.619 2.622 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.787 -2.591 5.011 1.00 0.00 C ATOM 1396 CZ PHE A 86 -5.065 -2.451 3.840 1.00 0.00 C ATOM 0 H PHE A 86 -9.372 -0.603 2.251 1.00 0.00 H new ATOM 0 HA PHE A 86 -11.151 -2.503 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.533 -3.831 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.409 -4.159 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.527 -3.055 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.689 -3.006 5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.134 -2.510 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.299 -2.459 5.966 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.013 -2.211 3.878 1.00 0.00 H new ATOM 1406 N LYS A 87 -11.068 -1.116 5.373 1.00 0.00 N ATOM 1407 CA LYS A 87 -11.074 -0.202 6.510 1.00 0.00 C ATOM 1408 C LYS A 87 -10.687 -0.913 7.799 1.00 0.00 C ATOM 1409 O LYS A 87 -10.584 -2.138 7.843 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.436 0.474 6.679 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.565 -0.478 7.034 1.00 0.00 C ATOM 1412 CD LYS A 87 -14.831 0.285 7.391 1.00 0.00 C ATOM 1413 CE LYS A 87 -15.981 -0.653 7.713 1.00 0.00 C ATOM 1414 NZ LYS A 87 -17.203 0.088 8.127 1.00 0.00 N ATOM 0 H LYS A 87 -11.919 -1.668 5.265 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.329 0.566 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.358 1.233 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.690 0.991 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.762 -1.143 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.266 -1.105 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.637 0.931 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.112 0.933 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.206 -1.265 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.682 -1.334 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.433 -0.146 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.034 1.111 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.998 -0.182 7.513 1.00 0.00 H new ATOM 1428 N SER A 88 -10.472 -0.126 8.848 1.00 0.00 N ATOM 1429 CA SER A 88 -10.092 -0.662 10.147 1.00 0.00 C ATOM 1430 C SER A 88 -10.679 0.181 11.273 1.00 0.00 C ATOM 1431 O SER A 88 -10.639 1.411 11.230 1.00 0.00 O ATOM 1432 CB SER A 88 -8.570 -0.700 10.275 1.00 0.00 C ATOM 1433 OG SER A 88 -7.989 -1.481 9.244 1.00 0.00 O ATOM 0 H SER A 88 -10.555 0.890 8.822 1.00 0.00 H new ATOM 0 HA SER A 88 -10.487 -1.675 10.226 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.173 0.314 10.234 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.294 -1.111 11.246 1.00 0.00 H new ATOM 0 HG SER A 88 -7.303 -0.955 8.782 1.00 0.00 H new ATOM 1439 N GLY A 89 -11.221 -0.491 12.279 1.00 0.00 N ATOM 1440 CA GLY A 89 -11.811 0.206 13.408 1.00 0.00 C ATOM 1441 C GLY A 89 -10.810 1.084 14.132 1.00 0.00 C ATOM 1442 O GLY A 89 -9.901 0.533 14.787 1.00 0.00 O ATOM 1443 OXT GLY A 89 -10.936 2.324 14.045 1.00 0.00 O ATOM 0 H GLY A 89 -11.263 -1.509 12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.642 0.819 13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.223 -0.522 14.106 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 19.328 8.978 4.131 1.00 0.00 N ATOM 1449 CA MET B 1 20.773 9.201 3.863 1.00 0.00 C ATOM 1450 C MET B 1 21.579 9.167 5.158 1.00 0.00 C ATOM 1451 O MET B 1 22.396 10.050 5.419 1.00 0.00 O ATOM 1452 CB MET B 1 20.934 10.556 3.165 1.00 0.00 C ATOM 1453 CG MET B 1 22.349 10.836 2.683 1.00 0.00 C ATOM 1454 SD MET B 1 22.491 12.418 1.830 1.00 0.00 S ATOM 1455 CE MET B 1 21.962 13.545 3.119 1.00 0.00 C ATOM 0 H1 MET B 1 18.762 9.450 3.397 1.00 0.00 H new ATOM 0 H2 MET B 1 19.127 7.958 4.121 1.00 0.00 H new ATOM 0 H3 MET B 1 19.083 9.370 5.063 1.00 0.00 H new ATOM 0 HA MET B 1 21.152 8.405 3.222 1.00 0.00 H new ATOM 0 HB2 MET B 1 20.255 10.598 2.313 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.632 11.346 3.852 1.00 0.00 H new ATOM 0 HG2 MET B 1 23.028 10.825 3.536 1.00 0.00 H new ATOM 0 HG3 MET B 1 22.665 10.037 2.013 1.00 0.00 H new ATOM 0 HE1 MET B 1 22.319 14.550 2.893 1.00 0.00 H new ATOM 0 HE2 MET B 1 20.873 13.550 3.173 1.00 0.00 H new ATOM 0 HE3 MET B 1 22.371 13.221 4.076 1.00 0.00 H new ATOM 1467 N CYS B 2 21.340 8.141 5.969 1.00 0.00 N ATOM 1468 CA CYS B 2 22.043 7.992 7.239 1.00 0.00 C ATOM 1469 C CYS B 2 21.630 6.706 7.945 1.00 0.00 C ATOM 1470 O CYS B 2 20.443 6.393 8.048 1.00 0.00 O ATOM 1471 CB CYS B 2 21.765 9.195 8.143 1.00 0.00 C ATOM 1472 SG CYS B 2 22.604 9.127 9.744 1.00 0.00 S ATOM 0 H CYS B 2 20.666 7.402 5.770 1.00 0.00 H new ATOM 0 HA CYS B 2 23.111 7.941 7.029 1.00 0.00 H new ATOM 0 HB2 CYS B 2 22.070 10.104 7.624 1.00 0.00 H new ATOM 0 HB3 CYS B 2 20.691 9.269 8.311 1.00 0.00 H new ATOM 0 HG CYS B 2 22.944 7.899 10.004 1.00 0.00 H new ATOM 1478 N ASP B 3 22.620 5.964 8.433 1.00 0.00 N ATOM 1479 CA ASP B 3 22.368 4.709 9.135 1.00 0.00 C ATOM 1480 C ASP B 3 21.692 3.694 8.219 1.00 0.00 C ATOM 1481 O ASP B 3 20.656 3.975 7.617 1.00 0.00 O ATOM 1482 CB ASP B 3 21.502 4.958 10.371 1.00 0.00 C ATOM 1483 CG ASP B 3 22.154 5.908 11.357 1.00 0.00 C ATOM 1484 OD1 ASP B 3 23.281 6.369 11.082 1.00 0.00 O ATOM 1485 OD2 ASP B 3 21.536 6.190 12.406 1.00 0.00 O ATOM 0 H ASP B 3 23.607 6.211 8.355 1.00 0.00 H new ATOM 0 HA ASP B 3 23.328 4.299 9.449 1.00 0.00 H new ATOM 0 HB2 ASP B 3 20.540 5.366 10.060 1.00 0.00 H new ATOM 0 HB3 ASP B 3 21.300 4.008 10.866 1.00 0.00 H new ATOM 1490 N ARG B 4 22.285 2.506 8.124 1.00 0.00 N ATOM 1491 CA ARG B 4 21.745 1.439 7.288 1.00 0.00 C ATOM 1492 C ARG B 4 21.445 1.940 5.878 1.00 0.00 C ATOM 1493 O ARG B 4 20.510 1.472 5.228 1.00 0.00 O ATOM 1494 CB ARG B 4 20.470 0.870 7.915 1.00 0.00 C ATOM 1495 CG ARG B 4 20.674 0.320 9.316 1.00 0.00 C ATOM 1496 CD ARG B 4 21.687 -0.813 9.329 1.00 0.00 C ATOM 1497 NE ARG B 4 21.887 -1.353 10.673 1.00 0.00 N ATOM 1498 CZ ARG B 4 22.720 -2.352 10.955 1.00 0.00 C ATOM 1499 NH1 ARG B 4 23.431 -2.922 9.991 1.00 0.00 N ATOM 1500 NH2 ARG B 4 22.842 -2.781 12.203 1.00 0.00 N ATOM 0 H ARG B 4 23.142 2.259 8.618 1.00 0.00 H new ATOM 0 HA ARG B 4 22.498 0.654 7.221 1.00 0.00 H new ATOM 0 HB2 ARG B 4 19.711 1.652 7.948 1.00 0.00 H new ATOM 0 HB3 ARG B 4 20.083 0.077 7.275 1.00 0.00 H new ATOM 0 HG2 ARG B 4 21.012 1.119 9.976 1.00 0.00 H new ATOM 0 HG3 ARG B 4 19.722 -0.037 9.710 1.00 0.00 H new ATOM 0 HD2 ARG B 4 21.349 -1.609 8.665 1.00 0.00 H new ATOM 0 HD3 ARG B 4 22.638 -0.453 8.937 1.00 0.00 H new ATOM 0 HE ARG B 4 21.357 -0.940 11.440 1.00 0.00 H new ATOM 0 HH11 ARG B 4 23.341 -2.595 9.029 1.00 0.00 H new ATOM 0 HH12 ARG B 4 24.068 -3.687 10.212 1.00 0.00 H new ATOM 0 HH21 ARG B 4 22.297 -2.346 12.947 1.00 0.00 H new ATOM 0 HH22 ARG B 4 23.480 -3.547 12.419 1.00 0.00 H new ATOM 1514 N LYS B 5 22.240 2.897 5.412 1.00 0.00 N ATOM 1515 CA LYS B 5 22.057 3.465 4.082 1.00 0.00 C ATOM 1516 C LYS B 5 20.593 3.873 3.877 1.00 0.00 C ATOM 1517 O LYS B 5 19.979 4.454 4.772 1.00 0.00 O ATOM 1518 CB LYS B 5 22.502 2.468 2.999 1.00 0.00 C ATOM 1519 CG LYS B 5 23.959 2.042 3.103 1.00 0.00 C ATOM 1520 CD LYS B 5 24.212 1.171 4.322 1.00 0.00 C ATOM 1521 CE LYS B 5 23.379 -0.101 4.288 1.00 0.00 C ATOM 1522 NZ LYS B 5 23.657 -0.915 3.073 1.00 0.00 N ATOM 0 H LYS B 5 23.018 3.296 5.937 1.00 0.00 H new ATOM 0 HA LYS B 5 22.680 4.356 3.996 1.00 0.00 H new ATOM 0 HB2 LYS B 5 21.871 1.581 3.056 1.00 0.00 H new ATOM 0 HB3 LYS B 5 22.335 2.915 2.019 1.00 0.00 H new ATOM 0 HG2 LYS B 5 24.242 1.497 2.203 1.00 0.00 H new ATOM 0 HG3 LYS B 5 24.593 2.927 3.152 1.00 0.00 H new ATOM 0 HD2 LYS B 5 25.270 0.912 4.371 1.00 0.00 H new ATOM 0 HD3 LYS B 5 23.980 1.734 5.226 1.00 0.00 H new ATOM 0 HE2 LYS B 5 23.587 -0.695 5.178 1.00 0.00 H new ATOM 0 HE3 LYS B 5 22.320 0.157 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 23.217 -1.852 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 23.264 -0.436 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 24.685 -1.026 2.957 1.00 0.00 H new ATOM 1536 N ALA B 6 20.033 3.559 2.709 1.00 0.00 N ATOM 1537 CA ALA B 6 18.644 3.890 2.410 1.00 0.00 C ATOM 1538 C ALA B 6 18.397 5.392 2.492 1.00 0.00 C ATOM 1539 O ALA B 6 18.743 6.034 3.484 1.00 0.00 O ATOM 1540 CB ALA B 6 17.716 3.158 3.367 1.00 0.00 C ATOM 0 H ALA B 6 20.522 3.076 1.955 1.00 0.00 H new ATOM 0 HA ALA B 6 18.437 3.571 1.388 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.681 3.412 3.136 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.859 2.083 3.261 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.942 3.455 4.391 1.00 0.00 H new ATOM 1546 N VAL B 7 17.791 5.955 1.451 1.00 0.00 N ATOM 1547 CA VAL B 7 17.501 7.375 1.435 1.00 0.00 C ATOM 1548 C VAL B 7 16.082 7.657 1.908 1.00 0.00 C ATOM 1549 O VAL B 7 15.138 6.974 1.517 1.00 0.00 O ATOM 1550 CB VAL B 7 17.689 7.974 0.041 1.00 0.00 C ATOM 1551 CG1 VAL B 7 19.150 7.915 -0.380 1.00 0.00 C ATOM 1552 CG2 VAL B 7 16.803 7.270 -0.976 1.00 0.00 C ATOM 0 H VAL B 7 17.495 5.450 0.616 1.00 0.00 H new ATOM 0 HA VAL B 7 18.208 7.842 2.120 1.00 0.00 H new ATOM 0 HB VAL B 7 17.390 9.021 0.080 1.00 0.00 H new ATOM 0 HG11 VAL B 7 19.260 8.347 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL B 7 19.756 8.479 0.329 1.00 0.00 H new ATOM 0 HG13 VAL B 7 19.482 6.877 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.955 7.714 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL B 7 17.061 6.211 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL B 7 15.758 7.379 -0.686 1.00 0.00 H new ATOM 1562 N ILE B 8 15.944 8.671 2.748 1.00 0.00 N ATOM 1563 CA ILE B 8 14.642 9.051 3.282 1.00 0.00 C ATOM 1564 C ILE B 8 13.937 10.050 2.371 1.00 0.00 C ATOM 1565 O ILE B 8 14.515 11.060 1.970 1.00 0.00 O ATOM 1566 CB ILE B 8 14.759 9.640 4.708 1.00 0.00 C ATOM 1567 CG1 ILE B 8 15.195 8.559 5.702 1.00 0.00 C ATOM 1568 CG2 ILE B 8 13.438 10.255 5.150 1.00 0.00 C ATOM 1569 CD1 ILE B 8 16.547 7.953 5.395 1.00 0.00 C ATOM 0 H ILE B 8 16.719 9.248 3.076 1.00 0.00 H new ATOM 0 HA ILE B 8 14.046 8.139 3.332 1.00 0.00 H new ATOM 0 HB ILE B 8 15.516 10.424 4.688 1.00 0.00 H new ATOM 0 HG12 ILE B 8 15.219 8.989 6.703 1.00 0.00 H new ATOM 0 HG13 ILE B 8 14.447 7.767 5.713 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.545 10.662 6.155 1.00 0.00 H new ATOM 0 HG22 ILE B 8 13.160 11.054 4.462 1.00 0.00 H new ATOM 0 HG23 ILE B 8 12.662 9.490 5.149 1.00 0.00 H new ATOM 0 HD11 ILE B 8 16.785 7.197 6.143 1.00 0.00 H new ATOM 0 HD12 ILE B 8 16.523 7.492 4.408 1.00 0.00 H new ATOM 0 HD13 ILE B 8 17.308 8.733 5.413 1.00 0.00 H new ATOM 1581 N LYS B 9 12.680 9.758 2.055 1.00 0.00 N ATOM 1582 CA LYS B 9 11.882 10.625 1.198 1.00 0.00 C ATOM 1583 C LYS B 9 11.194 11.716 2.012 1.00 0.00 C ATOM 1584 O LYS B 9 11.070 12.854 1.561 1.00 0.00 O ATOM 1585 CB LYS B 9 10.839 9.805 0.435 1.00 0.00 C ATOM 1586 CG LYS B 9 11.443 8.754 -0.482 1.00 0.00 C ATOM 1587 CD LYS B 9 12.345 9.382 -1.533 1.00 0.00 C ATOM 1588 CE LYS B 9 11.582 10.359 -2.413 1.00 0.00 C ATOM 1589 NZ LYS B 9 12.458 10.971 -3.451 1.00 0.00 N ATOM 0 H LYS B 9 12.191 8.924 2.381 1.00 0.00 H new ATOM 0 HA LYS B 9 12.553 11.102 0.483 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.180 9.315 1.151 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.221 10.480 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.015 8.039 0.110 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.645 8.196 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.170 9.900 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.783 8.599 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.753 9.842 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.150 11.145 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.901 11.631 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.235 11.486 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.851 10.224 -4.058 1.00 0.00 H new ATOM 1603 N ASN B 10 10.738 11.361 3.212 1.00 0.00 N ATOM 1604 CA ASN B 10 10.052 12.317 4.078 1.00 0.00 C ATOM 1605 C ASN B 10 9.799 11.727 5.465 1.00 0.00 C ATOM 1606 O ASN B 10 8.662 11.414 5.820 1.00 0.00 O ATOM 1607 CB ASN B 10 8.728 12.751 3.443 1.00 0.00 C ATOM 1608 CG ASN B 10 7.993 13.780 4.280 1.00 0.00 C ATOM 1609 OD1 ASN B 10 8.513 14.862 4.551 1.00 0.00 O ATOM 1610 ND2 ASN B 10 6.777 13.445 4.693 1.00 0.00 N ATOM 0 H ASN B 10 10.830 10.424 3.605 1.00 0.00 H new ATOM 0 HA ASN B 10 10.697 13.188 4.193 1.00 0.00 H new ATOM 0 HB2 ASN B 10 8.922 13.164 2.453 1.00 0.00 H new ATOM 0 HB3 ASN B 10 8.091 11.877 3.305 1.00 0.00 H new ATOM 0 HD21 ASN B 10 6.233 14.096 5.259 1.00 0.00 H new ATOM 0 HD22 ASN B 10 6.386 12.536 4.444 1.00 0.00 H new ATOM 1617 N ALA B 11 10.865 11.585 6.247 1.00 0.00 N ATOM 1618 CA ALA B 11 10.762 11.041 7.598 1.00 0.00 C ATOM 1619 C ALA B 11 9.757 11.829 8.435 1.00 0.00 C ATOM 1620 O ALA B 11 9.580 13.031 8.238 1.00 0.00 O ATOM 1621 CB ALA B 11 12.126 11.040 8.272 1.00 0.00 C ATOM 0 H ALA B 11 11.812 11.840 5.968 1.00 0.00 H new ATOM 0 HA ALA B 11 10.405 10.014 7.522 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.034 10.632 9.279 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.817 10.427 7.694 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.505 12.060 8.327 1.00 0.00 H new ATOM 1627 N ASP B 12 9.094 11.144 9.364 1.00 0.00 N ATOM 1628 CA ASP B 12 8.103 11.787 10.220 1.00 0.00 C ATOM 1629 C ASP B 12 7.755 10.912 11.421 1.00 0.00 C ATOM 1630 O ASP B 12 6.610 10.486 11.584 1.00 0.00 O ATOM 1631 CB ASP B 12 6.843 12.110 9.415 1.00 0.00 C ATOM 1632 CG ASP B 12 5.774 12.785 10.255 1.00 0.00 C ATOM 1633 OD1 ASP B 12 6.048 13.876 10.798 1.00 0.00 O ATOM 1634 OD2 ASP B 12 4.663 12.224 10.367 1.00 0.00 O ATOM 0 H ASP B 12 9.225 10.148 9.542 1.00 0.00 H new ATOM 0 HA ASP B 12 8.533 12.715 10.597 1.00 0.00 H new ATOM 0 HB2 ASP B 12 7.106 12.758 8.579 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.441 11.190 8.991 1.00 0.00 H new ATOM 1639 N MET B 13 8.751 10.652 12.264 1.00 0.00 N ATOM 1640 CA MET B 13 8.554 9.835 13.456 1.00 0.00 C ATOM 1641 C MET B 13 9.846 9.735 14.267 1.00 0.00 C ATOM 1642 O MET B 13 10.811 10.453 14.005 1.00 0.00 O ATOM 1643 CB MET B 13 8.062 8.441 13.062 1.00 0.00 C ATOM 1644 CG MET B 13 9.015 7.690 12.147 1.00 0.00 C ATOM 1645 SD MET B 13 8.321 6.139 11.547 1.00 0.00 S ATOM 1646 CE MET B 13 7.930 5.323 13.092 1.00 0.00 C ATOM 0 H MET B 13 9.703 10.996 12.143 1.00 0.00 H new ATOM 0 HA MET B 13 7.799 10.313 14.080 1.00 0.00 H new ATOM 0 HB2 MET B 13 7.902 7.853 13.966 1.00 0.00 H new ATOM 0 HB3 MET B 13 7.095 8.534 12.567 1.00 0.00 H new ATOM 0 HG2 MET B 13 9.271 8.322 11.297 1.00 0.00 H new ATOM 0 HG3 MET B 13 9.942 7.486 12.683 1.00 0.00 H new ATOM 0 HE1 MET B 13 8.258 4.284 13.048 1.00 0.00 H new ATOM 0 HE2 MET B 13 8.440 5.830 13.911 1.00 0.00 H new ATOM 0 HE3 MET B 13 6.853 5.357 13.259 1.00 0.00 H new ATOM 1656 N SER B 14 9.853 8.847 15.256 1.00 0.00 N ATOM 1657 CA SER B 14 11.021 8.657 16.111 1.00 0.00 C ATOM 1658 C SER B 14 12.216 8.126 15.322 1.00 0.00 C ATOM 1659 O SER B 14 12.065 7.288 14.433 1.00 0.00 O ATOM 1660 CB SER B 14 10.687 7.699 17.256 1.00 0.00 C ATOM 1661 OG SER B 14 9.643 8.213 18.064 1.00 0.00 O ATOM 0 H SER B 14 9.062 8.246 15.486 1.00 0.00 H new ATOM 0 HA SER B 14 11.293 9.630 16.519 1.00 0.00 H new ATOM 0 HB2 SER B 14 10.394 6.731 16.850 1.00 0.00 H new ATOM 0 HB3 SER B 14 11.575 7.533 17.866 1.00 0.00 H new ATOM 0 HG SER B 14 8.833 7.678 17.931 1.00 0.00 H new ATOM 1667 N GLU B 15 13.404 8.624 15.659 1.00 0.00 N ATOM 1668 CA GLU B 15 14.637 8.212 14.994 1.00 0.00 C ATOM 1669 C GLU B 15 14.866 6.714 15.133 1.00 0.00 C ATOM 1670 O GLU B 15 15.248 6.044 14.175 1.00 0.00 O ATOM 1671 CB GLU B 15 15.828 8.976 15.574 1.00 0.00 C ATOM 1672 CG GLU B 15 16.025 8.754 17.066 1.00 0.00 C ATOM 1673 CD GLU B 15 17.204 9.529 17.622 1.00 0.00 C ATOM 1674 OE1 GLU B 15 17.869 10.243 16.842 1.00 0.00 O ATOM 1675 OE2 GLU B 15 17.463 9.420 18.839 1.00 0.00 O ATOM 0 H GLU B 15 13.538 9.318 16.394 1.00 0.00 H new ATOM 0 HA GLU B 15 14.540 8.444 13.933 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.734 8.675 15.048 1.00 0.00 H new ATOM 0 HB3 GLU B 15 15.691 10.041 15.389 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.119 9.049 17.596 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.173 7.691 17.255 1.00 0.00 H new ATOM 1682 N GLU B 16 14.636 6.195 16.330 1.00 0.00 N ATOM 1683 CA GLU B 16 14.822 4.774 16.589 1.00 0.00 C ATOM 1684 C GLU B 16 13.879 3.935 15.739 1.00 0.00 C ATOM 1685 O GLU B 16 14.250 2.866 15.257 1.00 0.00 O ATOM 1686 CB GLU B 16 14.606 4.468 18.072 1.00 0.00 C ATOM 1687 CG GLU B 16 13.218 4.830 18.572 1.00 0.00 C ATOM 1688 CD GLU B 16 13.029 4.519 20.043 1.00 0.00 C ATOM 1689 OE1 GLU B 16 13.775 5.084 20.870 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.132 3.713 20.370 1.00 0.00 O ATOM 0 H GLU B 16 14.321 6.735 17.136 1.00 0.00 H new ATOM 0 HA GLU B 16 15.846 4.515 16.320 1.00 0.00 H new ATOM 0 HB2 GLU B 16 14.779 3.406 18.244 1.00 0.00 H new ATOM 0 HB3 GLU B 16 15.347 5.011 18.658 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.041 5.892 18.403 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.473 4.286 17.991 1.00 0.00 H new ATOM 1697 N MET B 17 12.656 4.420 15.557 1.00 0.00 N ATOM 1698 CA MET B 17 11.669 3.704 14.760 1.00 0.00 C ATOM 1699 C MET B 17 12.091 3.653 13.297 1.00 0.00 C ATOM 1700 O MET B 17 12.095 2.587 12.679 1.00 0.00 O ATOM 1701 CB MET B 17 10.295 4.366 14.892 1.00 0.00 C ATOM 1702 CG MET B 17 9.756 4.372 16.314 1.00 0.00 C ATOM 1703 SD MET B 17 8.188 5.256 16.457 1.00 0.00 S ATOM 1704 CE MET B 17 7.885 5.140 18.218 1.00 0.00 C ATOM 0 H MET B 17 12.326 5.302 15.949 1.00 0.00 H new ATOM 0 HA MET B 17 11.604 2.683 15.135 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.360 5.393 14.533 1.00 0.00 H new ATOM 0 HB3 MET B 17 9.587 3.846 14.246 1.00 0.00 H new ATOM 0 HG2 MET B 17 9.622 3.345 16.652 1.00 0.00 H new ATOM 0 HG3 MET B 17 10.490 4.832 16.975 1.00 0.00 H new ATOM 0 HE1 MET B 17 7.514 6.096 18.587 1.00 0.00 H new ATOM 0 HE2 MET B 17 7.143 4.365 18.409 1.00 0.00 H new ATOM 0 HE3 MET B 17 8.813 4.888 18.731 1.00 0.00 H new ATOM 1714 N GLN B 18 12.455 4.806 12.751 1.00 0.00 N ATOM 1715 CA GLN B 18 12.889 4.887 11.361 1.00 0.00 C ATOM 1716 C GLN B 18 14.201 4.142 11.163 1.00 0.00 C ATOM 1717 O GLN B 18 14.387 3.446 10.165 1.00 0.00 O ATOM 1718 CB GLN B 18 13.029 6.344 10.924 1.00 0.00 C ATOM 1719 CG GLN B 18 13.932 7.172 11.821 1.00 0.00 C ATOM 1720 CD GLN B 18 13.939 8.636 11.432 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.350 9.472 12.278 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 14.449 9.009 10.377 1.00 0.00 N flip ATOM 0 H GLN B 18 12.459 5.697 13.248 1.00 0.00 H new ATOM 0 HA GLN B 18 12.129 4.414 10.739 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.420 6.372 9.907 1.00 0.00 H new ATOM 0 HB3 GLN B 18 12.040 6.802 10.898 1.00 0.00 H new ATOM 0 HG2 GLN B 18 13.602 7.074 12.855 1.00 0.00 H new ATOM 0 HG3 GLN B 18 14.948 6.780 11.772 1.00 0.00 H new ATOM 0 HE21 GLN B 18 14.891 8.331 9.757 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.430 9.997 10.122 1.00 0.00 H new ATOM 1731 N GLN B 19 15.104 4.279 12.124 1.00 0.00 N ATOM 1732 CA GLN B 19 16.393 3.605 12.060 1.00 0.00 C ATOM 1733 C GLN B 19 16.223 2.105 12.268 1.00 0.00 C ATOM 1734 O GLN B 19 16.901 1.299 11.630 1.00 0.00 O ATOM 1735 CB GLN B 19 17.353 4.190 13.097 1.00 0.00 C ATOM 1736 CG GLN B 19 17.956 5.522 12.682 1.00 0.00 C ATOM 1737 CD GLN B 19 18.928 6.067 13.708 1.00 0.00 C ATOM 1738 OE1 GLN B 19 19.889 5.399 14.087 1.00 0.00 O ATOM 1739 NE2 GLN B 19 18.688 7.294 14.156 1.00 0.00 N ATOM 0 H GLN B 19 14.968 4.851 12.957 1.00 0.00 H new ATOM 0 HA GLN B 19 16.819 3.765 11.070 1.00 0.00 H new ATOM 0 HB2 GLN B 19 16.822 4.319 14.040 1.00 0.00 H new ATOM 0 HB3 GLN B 19 18.157 3.477 13.279 1.00 0.00 H new ATOM 0 HG2 GLN B 19 18.470 5.402 11.728 1.00 0.00 H new ATOM 0 HG3 GLN B 19 17.156 6.245 12.525 1.00 0.00 H new ATOM 0 HE21 GLN B 19 17.879 7.812 13.814 1.00 0.00 H new ATOM 0 HE22 GLN B 19 19.313 7.718 14.842 1.00 0.00 H new ATOM 1748 N ASP B 20 15.306 1.736 13.155 1.00 0.00 N ATOM 1749 CA ASP B 20 15.035 0.331 13.435 1.00 0.00 C ATOM 1750 C ASP B 20 14.331 -0.316 12.252 1.00 0.00 C ATOM 1751 O ASP B 20 14.539 -1.493 11.963 1.00 0.00 O ATOM 1752 CB ASP B 20 14.188 0.183 14.700 1.00 0.00 C ATOM 1753 CG ASP B 20 13.963 -1.270 15.073 1.00 0.00 C ATOM 1754 OD1 ASP B 20 14.959 -1.982 15.317 1.00 0.00 O ATOM 1755 OD2 ASP B 20 12.790 -1.695 15.124 1.00 0.00 O ATOM 0 H ASP B 20 14.738 2.390 13.693 1.00 0.00 H new ATOM 0 HA ASP B 20 15.987 -0.175 13.599 1.00 0.00 H new ATOM 0 HB2 ASP B 20 14.680 0.696 15.526 1.00 0.00 H new ATOM 0 HB3 ASP B 20 13.225 0.671 14.549 1.00 0.00 H new ATOM 1760 N SER B 21 13.503 0.462 11.565 1.00 0.00 N ATOM 1761 CA SER B 21 12.780 -0.039 10.405 1.00 0.00 C ATOM 1762 C SER B 21 13.756 -0.305 9.269 1.00 0.00 C ATOM 1763 O SER B 21 13.720 -1.360 8.635 1.00 0.00 O ATOM 1764 CB SER B 21 11.713 0.964 9.962 1.00 0.00 C ATOM 1765 OG SER B 21 12.291 2.216 9.635 1.00 0.00 O ATOM 0 H SER B 21 13.317 1.439 11.791 1.00 0.00 H new ATOM 0 HA SER B 21 12.282 -0.970 10.675 1.00 0.00 H new ATOM 0 HB2 SER B 21 11.177 0.571 9.098 1.00 0.00 H new ATOM 0 HB3 SER B 21 10.981 1.095 10.759 1.00 0.00 H new ATOM 0 HG SER B 21 13.200 2.261 9.998 1.00 0.00 H new ATOM 1771 N VAL B 22 14.643 0.656 9.031 1.00 0.00 N ATOM 1772 CA VAL B 22 15.649 0.527 7.987 1.00 0.00 C ATOM 1773 C VAL B 22 16.546 -0.671 8.264 1.00 0.00 C ATOM 1774 O VAL B 22 16.804 -1.488 7.379 1.00 0.00 O ATOM 1775 CB VAL B 22 16.509 1.803 7.885 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.540 1.676 6.775 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.628 3.022 7.666 1.00 0.00 C ATOM 0 H VAL B 22 14.684 1.534 9.549 1.00 0.00 H new ATOM 0 HA VAL B 22 15.131 0.380 7.039 1.00 0.00 H new ATOM 0 HB VAL B 22 17.044 1.930 8.826 1.00 0.00 H new ATOM 0 HG11 VAL B 22 18.134 2.589 6.724 1.00 0.00 H new ATOM 0 HG12 VAL B 22 18.194 0.829 6.981 1.00 0.00 H new ATOM 0 HG13 VAL B 22 17.032 1.519 5.823 1.00 0.00 H new ATOM 0 HG21 VAL B 22 16.251 3.914 7.596 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.063 2.901 6.742 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.937 3.127 8.503 1.00 0.00 H new ATOM 1787 N GLU B 23 17.005 -0.775 9.505 1.00 0.00 N ATOM 1788 CA GLU B 23 17.859 -1.877 9.914 1.00 0.00 C ATOM 1789 C GLU B 23 17.087 -3.187 9.855 1.00 0.00 C ATOM 1790 O GLU B 23 17.570 -4.189 9.326 1.00 0.00 O ATOM 1791 CB GLU B 23 18.381 -1.640 11.332 1.00 0.00 C ATOM 1792 CG GLU B 23 19.283 -2.750 11.837 1.00 0.00 C ATOM 1793 CD GLU B 23 19.793 -2.495 13.241 1.00 0.00 C ATOM 1794 OE1 GLU B 23 20.472 -1.468 13.449 1.00 0.00 O ATOM 1795 OE2 GLU B 23 19.512 -3.322 14.134 1.00 0.00 O ATOM 0 H GLU B 23 16.798 -0.106 10.246 1.00 0.00 H new ATOM 0 HA GLU B 23 18.707 -1.936 9.232 1.00 0.00 H new ATOM 0 HB2 GLU B 23 18.929 -0.698 11.357 1.00 0.00 H new ATOM 0 HB3 GLU B 23 17.534 -1.534 12.010 1.00 0.00 H new ATOM 0 HG2 GLU B 23 18.737 -3.693 11.819 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.131 -2.860 11.161 1.00 0.00 H new ATOM 1802 N CYS B 24 15.877 -3.163 10.399 1.00 0.00 N ATOM 1803 CA CYS B 24 15.019 -4.342 10.410 1.00 0.00 C ATOM 1804 C CYS B 24 14.658 -4.761 8.989 1.00 0.00 C ATOM 1805 O CYS B 24 14.508 -5.950 8.700 1.00 0.00 O ATOM 1806 CB CYS B 24 13.747 -4.070 11.213 1.00 0.00 C ATOM 1807 SG CYS B 24 12.634 -5.490 11.326 1.00 0.00 S ATOM 0 H CYS B 24 15.467 -2.339 10.839 1.00 0.00 H new ATOM 0 HA CYS B 24 15.568 -5.156 10.884 1.00 0.00 H new ATOM 0 HB2 CYS B 24 14.025 -3.757 12.220 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.212 -3.237 10.757 1.00 0.00 H new ATOM 0 HG CYS B 24 12.940 -6.199 12.372 1.00 0.00 H new ATOM 1813 N ALA B 25 14.534 -3.781 8.098 1.00 0.00 N ATOM 1814 CA ALA B 25 14.206 -4.055 6.711 1.00 0.00 C ATOM 1815 C ALA B 25 15.356 -4.787 6.050 1.00 0.00 C ATOM 1816 O ALA B 25 15.156 -5.688 5.235 1.00 0.00 O ATOM 1817 CB ALA B 25 13.901 -2.760 5.971 1.00 0.00 C ATOM 0 H ALA B 25 14.657 -2.792 8.316 1.00 0.00 H new ATOM 0 HA ALA B 25 13.317 -4.685 6.673 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.657 -2.983 4.932 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.055 -2.262 6.444 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.773 -2.107 6.007 1.00 0.00 H new ATOM 1823 N THR B 26 16.570 -4.391 6.418 1.00 0.00 N ATOM 1824 CA THR B 26 17.764 -5.004 5.872 1.00 0.00 C ATOM 1825 C THR B 26 17.822 -6.481 6.239 1.00 0.00 C ATOM 1826 O THR B 26 18.086 -7.338 5.394 1.00 0.00 O ATOM 1827 CB THR B 26 19.016 -4.286 6.379 1.00 0.00 C ATOM 1828 OG1 THR B 26 18.990 -2.918 6.016 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.304 -4.877 5.848 1.00 0.00 C ATOM 0 H THR B 26 16.748 -3.647 7.093 1.00 0.00 H new ATOM 0 HA THR B 26 17.727 -4.916 4.786 1.00 0.00 H new ATOM 0 HB THR B 26 19.000 -4.409 7.462 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.254 -2.470 6.482 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.152 -4.320 6.247 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.379 -5.920 6.154 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.310 -4.817 4.760 1.00 0.00 H new ATOM 1837 N GLN B 27 17.562 -6.772 7.511 1.00 0.00 N ATOM 1838 CA GLN B 27 17.573 -8.145 7.998 1.00 0.00 C ATOM 1839 C GLN B 27 16.585 -8.999 7.211 1.00 0.00 C ATOM 1840 O GLN B 27 16.901 -10.117 6.804 1.00 0.00 O ATOM 1841 CB GLN B 27 17.226 -8.184 9.489 1.00 0.00 C ATOM 1842 CG GLN B 27 18.188 -7.391 10.360 1.00 0.00 C ATOM 1843 CD GLN B 27 19.613 -7.902 10.272 1.00 0.00 C ATOM 1844 OE1 GLN B 27 20.219 -7.906 9.201 1.00 0.00 O ATOM 1845 NE2 GLN B 27 20.155 -8.339 11.404 1.00 0.00 N ATOM 0 H GLN B 27 17.341 -6.074 8.222 1.00 0.00 H new ATOM 0 HA GLN B 27 18.575 -8.550 7.858 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.218 -7.795 9.629 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.217 -9.221 9.824 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.163 -6.343 10.061 1.00 0.00 H new ATOM 0 HG3 GLN B 27 17.854 -7.435 11.397 1.00 0.00 H new ATOM 0 HE21 GLN B 27 19.616 -8.317 12.269 1.00 0.00 H new ATOM 0 HE22 GLN B 27 21.110 -8.696 11.407 1.00 0.00 H new ATOM 1854 N ALA B 28 15.391 -8.457 6.994 1.00 0.00 N ATOM 1855 CA ALA B 28 14.355 -9.161 6.246 1.00 0.00 C ATOM 1856 C ALA B 28 14.856 -9.556 4.862 1.00 0.00 C ATOM 1857 O ALA B 28 14.644 -10.681 4.410 1.00 0.00 O ATOM 1858 CB ALA B 28 13.117 -8.290 6.126 1.00 0.00 C ATOM 0 H ALA B 28 15.117 -7.532 7.326 1.00 0.00 H new ATOM 0 HA ALA B 28 14.100 -10.072 6.788 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.349 -8.824 5.566 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.741 -8.053 7.121 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.371 -7.367 5.604 1.00 0.00 H new ATOM 1864 N LEU B 29 15.524 -8.621 4.192 1.00 0.00 N ATOM 1865 CA LEU B 29 16.057 -8.870 2.858 1.00 0.00 C ATOM 1866 C LEU B 29 17.017 -10.053 2.866 1.00 0.00 C ATOM 1867 O LEU B 29 16.978 -10.906 1.982 1.00 0.00 O ATOM 1868 CB LEU B 29 16.760 -7.625 2.328 1.00 0.00 C ATOM 1869 CG LEU B 29 15.819 -6.507 1.897 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.583 -5.207 1.694 1.00 0.00 C ATOM 1871 CD2 LEU B 29 15.085 -6.898 0.622 1.00 0.00 C ATOM 0 H LEU B 29 15.709 -7.685 4.552 1.00 0.00 H new ATOM 0 HA LEU B 29 15.223 -9.112 2.200 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.428 -7.244 3.100 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.382 -7.908 1.479 1.00 0.00 H new ATOM 0 HG LEU B 29 15.086 -6.350 2.688 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.891 -4.423 1.387 1.00 0.00 H new ATOM 0 HD12 LEU B 29 17.066 -4.919 2.628 1.00 0.00 H new ATOM 0 HD13 LEU B 29 17.340 -5.346 0.922 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.416 -6.090 0.325 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.808 -7.081 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.504 -7.803 0.799 1.00 0.00 H new ATOM 1883 N GLU B 30 17.879 -10.092 3.871 1.00 0.00 N ATOM 1884 CA GLU B 30 18.855 -11.169 4.001 1.00 0.00 C ATOM 1885 C GLU B 30 18.171 -12.502 4.294 1.00 0.00 C ATOM 1886 O GLU B 30 18.662 -13.562 3.908 1.00 0.00 O ATOM 1887 CB GLU B 30 19.859 -10.843 5.108 1.00 0.00 C ATOM 1888 CG GLU B 30 20.640 -9.562 4.861 1.00 0.00 C ATOM 1889 CD GLU B 30 21.624 -9.258 5.973 1.00 0.00 C ATOM 1890 OE1 GLU B 30 22.522 -10.092 6.218 1.00 0.00 O ATOM 1891 OE2 GLU B 30 21.499 -8.184 6.601 1.00 0.00 O ATOM 0 H GLU B 30 17.924 -9.391 4.610 1.00 0.00 H new ATOM 0 HA GLU B 30 19.384 -11.259 3.052 1.00 0.00 H new ATOM 0 HB2 GLU B 30 19.328 -10.758 6.056 1.00 0.00 H new ATOM 0 HB3 GLU B 30 20.559 -11.672 5.208 1.00 0.00 H new ATOM 0 HG2 GLU B 30 21.178 -9.645 3.917 1.00 0.00 H new ATOM 0 HG3 GLU B 30 19.944 -8.730 4.759 1.00 0.00 H new ATOM 1898 N LYS B 31 17.040 -12.442 4.992 1.00 0.00 N ATOM 1899 CA LYS B 31 16.294 -13.641 5.351 1.00 0.00 C ATOM 1900 C LYS B 31 15.442 -14.138 4.192 1.00 0.00 C ATOM 1901 O LYS B 31 15.325 -15.343 3.970 1.00 0.00 O ATOM 1902 CB LYS B 31 15.406 -13.369 6.567 1.00 0.00 C ATOM 1903 CG LYS B 31 16.185 -13.024 7.827 1.00 0.00 C ATOM 1904 CD LYS B 31 15.254 -12.727 8.992 1.00 0.00 C ATOM 1905 CE LYS B 31 16.030 -12.370 10.249 1.00 0.00 C ATOM 1906 NZ LYS B 31 15.128 -12.075 11.395 1.00 0.00 N ATOM 0 H LYS B 31 16.620 -11.572 5.320 1.00 0.00 H new ATOM 0 HA LYS B 31 17.018 -14.418 5.597 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.727 -12.549 6.334 1.00 0.00 H new ATOM 0 HB3 LYS B 31 14.790 -14.247 6.760 1.00 0.00 H new ATOM 0 HG2 LYS B 31 16.843 -13.853 8.088 1.00 0.00 H new ATOM 0 HG3 LYS B 31 16.821 -12.159 7.638 1.00 0.00 H new ATOM 0 HD2 LYS B 31 14.590 -11.904 8.727 1.00 0.00 H new ATOM 0 HD3 LYS B 31 14.624 -13.595 9.186 1.00 0.00 H new ATOM 0 HE2 LYS B 31 16.693 -13.194 10.512 1.00 0.00 H new ATOM 0 HE3 LYS B 31 16.661 -11.503 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 15.697 -11.836 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 14.512 -11.272 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 14.543 -12.910 11.601 1.00 0.00 H new ATOM 1920 N TYR B 32 14.837 -13.208 3.462 1.00 0.00 N ATOM 1921 CA TYR B 32 13.982 -13.574 2.338 1.00 0.00 C ATOM 1922 C TYR B 32 14.379 -12.841 1.061 1.00 0.00 C ATOM 1923 O TYR B 32 14.405 -13.432 -0.018 1.00 0.00 O ATOM 1924 CB TYR B 32 12.520 -13.274 2.666 1.00 0.00 C ATOM 1925 CG TYR B 32 11.999 -14.022 3.869 1.00 0.00 C ATOM 1926 CD1 TYR B 32 11.942 -15.410 3.882 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.558 -13.337 4.994 1.00 0.00 C ATOM 1928 CE1 TYR B 32 11.462 -16.093 4.983 1.00 0.00 C ATOM 1929 CE2 TYR B 32 11.078 -14.013 6.098 1.00 0.00 C ATOM 1930 CZ TYR B 32 11.031 -15.391 6.088 1.00 0.00 C ATOM 1931 OH TYR B 32 10.551 -16.068 7.186 1.00 0.00 O ATOM 0 H TYR B 32 14.921 -12.205 3.625 1.00 0.00 H new ATOM 0 HA TYR B 32 14.109 -14.643 2.168 1.00 0.00 H new ATOM 0 HB2 TYR B 32 12.409 -12.204 2.839 1.00 0.00 H new ATOM 0 HB3 TYR B 32 11.905 -13.523 1.801 1.00 0.00 H new ATOM 0 HD1 TYR B 32 12.278 -15.964 3.018 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.591 -12.258 5.005 1.00 0.00 H new ATOM 0 HE1 TYR B 32 11.425 -17.172 4.978 1.00 0.00 H new ATOM 0 HE2 TYR B 32 10.741 -13.465 6.965 1.00 0.00 H new ATOM 0 HH TYR B 32 10.290 -15.425 7.878 1.00 0.00 H new ATOM 1941 N ASN B 33 14.671 -11.551 1.184 1.00 0.00 N ATOM 1942 CA ASN B 33 15.049 -10.738 0.033 1.00 0.00 C ATOM 1943 C ASN B 33 13.841 -10.520 -0.873 1.00 0.00 C ATOM 1944 O ASN B 33 13.904 -10.742 -2.083 1.00 0.00 O ATOM 1945 CB ASN B 33 16.188 -11.400 -0.752 1.00 0.00 C ATOM 1946 CG ASN B 33 16.792 -10.479 -1.795 1.00 0.00 C ATOM 1947 OD1 ASN B 33 18.084 -10.200 -1.659 1.00 0.00 O flip ATOM 1948 ND2 ASN B 33 16.111 -10.024 -2.714 1.00 0.00 N flip ATOM 0 H ASN B 33 14.653 -11.045 2.070 1.00 0.00 H new ATOM 0 HA ASN B 33 15.401 -9.772 0.395 1.00 0.00 H new ATOM 0 HB2 ASN B 33 16.967 -11.716 -0.058 1.00 0.00 H new ATOM 0 HB3 ASN B 33 15.812 -12.299 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN B 33 15.122 -10.263 -2.782 1.00 0.00 H new ATOM 0 HD22 ASN B 33 16.536 -9.408 -3.407 1.00 0.00 H new ATOM 1955 N ILE B 34 12.737 -10.086 -0.273 1.00 0.00 N ATOM 1956 CA ILE B 34 11.508 -9.838 -1.016 1.00 0.00 C ATOM 1957 C ILE B 34 10.727 -8.688 -0.389 1.00 0.00 C ATOM 1958 O ILE B 34 10.518 -8.653 0.822 1.00 0.00 O ATOM 1959 CB ILE B 34 10.618 -11.098 -1.061 1.00 0.00 C ATOM 1960 CG1 ILE B 34 11.406 -12.282 -1.623 1.00 0.00 C ATOM 1961 CG2 ILE B 34 9.370 -10.845 -1.898 1.00 0.00 C ATOM 1962 CD1 ILE B 34 10.604 -13.562 -1.696 1.00 0.00 C ATOM 0 H ILE B 34 12.669 -9.899 0.727 1.00 0.00 H new ATOM 0 HA ILE B 34 11.789 -9.572 -2.035 1.00 0.00 H new ATOM 0 HB ILE B 34 10.305 -11.337 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE B 34 11.763 -12.029 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE B 34 12.286 -12.449 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE B 34 8.756 -11.745 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.799 -10.026 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.661 -10.583 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE B 34 11.226 -14.359 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE B 34 10.269 -13.839 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE B 34 9.738 -13.412 -2.340 1.00 0.00 H new ATOM 1974 N GLU B 35 10.303 -7.746 -1.225 1.00 0.00 N ATOM 1975 CA GLU B 35 9.552 -6.578 -0.766 1.00 0.00 C ATOM 1976 C GLU B 35 8.429 -6.965 0.197 1.00 0.00 C ATOM 1977 O GLU B 35 8.264 -6.348 1.249 1.00 0.00 O ATOM 1978 CB GLU B 35 8.979 -5.827 -1.968 1.00 0.00 C ATOM 1979 CG GLU B 35 8.119 -6.695 -2.872 1.00 0.00 C ATOM 1980 CD GLU B 35 7.638 -5.955 -4.107 1.00 0.00 C ATOM 1981 OE1 GLU B 35 8.492 -5.465 -4.875 1.00 0.00 O ATOM 1982 OE2 GLU B 35 6.409 -5.871 -4.306 1.00 0.00 O ATOM 0 H GLU B 35 10.467 -7.768 -2.231 1.00 0.00 H new ATOM 0 HA GLU B 35 10.240 -5.931 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU B 35 8.384 -4.987 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU B 35 9.800 -5.411 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU B 35 8.690 -7.572 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU B 35 7.257 -7.056 -2.310 1.00 0.00 H new ATOM 1989 N LYS B 36 7.661 -7.983 -0.171 1.00 0.00 N ATOM 1990 CA LYS B 36 6.552 -8.444 0.661 1.00 0.00 C ATOM 1991 C LYS B 36 7.034 -8.851 2.053 1.00 0.00 C ATOM 1992 O LYS B 36 6.557 -8.334 3.064 1.00 0.00 O ATOM 1993 CB LYS B 36 5.861 -9.633 -0.005 1.00 0.00 C ATOM 1994 CG LYS B 36 4.692 -10.187 0.795 1.00 0.00 C ATOM 1995 CD LYS B 36 4.190 -11.495 0.209 1.00 0.00 C ATOM 1996 CE LYS B 36 5.243 -12.589 0.297 1.00 0.00 C ATOM 1997 NZ LYS B 36 4.741 -13.887 -0.236 1.00 0.00 N ATOM 0 H LYS B 36 7.784 -8.506 -1.038 1.00 0.00 H new ATOM 0 HA LYS B 36 5.848 -7.619 0.768 1.00 0.00 H new ATOM 0 HB2 LYS B 36 5.505 -9.330 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS B 36 6.592 -10.426 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS B 36 4.999 -10.344 1.829 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.881 -9.458 0.810 1.00 0.00 H new ATOM 0 HD2 LYS B 36 3.291 -11.811 0.739 1.00 0.00 H new ATOM 0 HD3 LYS B 36 3.909 -11.343 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS B 36 6.129 -12.286 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS B 36 5.548 -12.717 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 5.488 -14.606 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 3.911 -14.190 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 4.474 -13.772 -1.234 1.00 0.00 H new ATOM 2011 N ASP B 37 7.970 -9.792 2.092 1.00 0.00 N ATOM 2012 CA ASP B 37 8.514 -10.293 3.353 1.00 0.00 C ATOM 2013 C ASP B 37 9.029 -9.161 4.244 1.00 0.00 C ATOM 2014 O ASP B 37 8.794 -9.157 5.454 1.00 0.00 O ATOM 2015 CB ASP B 37 9.641 -11.290 3.080 1.00 0.00 C ATOM 2016 CG ASP B 37 9.171 -12.488 2.280 1.00 0.00 C ATOM 2017 OD1 ASP B 37 8.684 -12.293 1.148 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.290 -13.624 2.788 1.00 0.00 O ATOM 0 H ASP B 37 8.371 -10.227 1.261 1.00 0.00 H new ATOM 0 HA ASP B 37 7.703 -10.791 3.884 1.00 0.00 H new ATOM 0 HB2 ASP B 37 10.444 -10.788 2.540 1.00 0.00 H new ATOM 0 HB3 ASP B 37 10.059 -11.630 4.027 1.00 0.00 H new ATOM 2023 N ILE B 38 9.733 -8.202 3.644 1.00 0.00 N ATOM 2024 CA ILE B 38 10.276 -7.073 4.396 1.00 0.00 C ATOM 2025 C ILE B 38 9.210 -6.453 5.295 1.00 0.00 C ATOM 2026 O ILE B 38 9.482 -6.087 6.438 1.00 0.00 O ATOM 2027 CB ILE B 38 10.852 -5.992 3.454 1.00 0.00 C ATOM 2028 CG1 ILE B 38 12.028 -6.558 2.657 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.288 -4.764 4.242 1.00 0.00 C ATOM 2030 CD1 ILE B 38 12.619 -5.573 1.671 1.00 0.00 C ATOM 0 H ILE B 38 9.940 -8.184 2.645 1.00 0.00 H new ATOM 0 HA ILE B 38 11.085 -7.459 5.017 1.00 0.00 H new ATOM 0 HB ILE B 38 10.069 -5.690 2.759 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.806 -6.877 3.350 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.698 -7.446 2.118 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.690 -4.017 3.558 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.431 -4.348 4.771 1.00 0.00 H new ATOM 0 HG23 ILE B 38 12.056 -5.047 4.962 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.448 -6.042 1.141 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.854 -5.272 0.955 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.980 -4.695 2.206 1.00 0.00 H new ATOM 2042 N ALA B 39 7.997 -6.344 4.770 1.00 0.00 N ATOM 2043 CA ALA B 39 6.888 -5.776 5.525 1.00 0.00 C ATOM 2044 C ALA B 39 6.542 -6.645 6.730 1.00 0.00 C ATOM 2045 O ALA B 39 6.135 -6.139 7.776 1.00 0.00 O ATOM 2046 CB ALA B 39 5.672 -5.607 4.627 1.00 0.00 C ATOM 0 H ALA B 39 7.756 -6.641 3.825 1.00 0.00 H new ATOM 0 HA ALA B 39 7.194 -4.797 5.893 1.00 0.00 H new ATOM 0 HB1 ALA B 39 4.850 -5.182 5.203 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.919 -4.940 3.801 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.374 -6.578 4.232 1.00 0.00 H new ATOM 2052 N ALA B 40 6.698 -7.957 6.574 1.00 0.00 N ATOM 2053 CA ALA B 40 6.395 -8.896 7.647 1.00 0.00 C ATOM 2054 C ALA B 40 7.323 -8.699 8.843 1.00 0.00 C ATOM 2055 O ALA B 40 6.871 -8.604 9.983 1.00 0.00 O ATOM 2056 CB ALA B 40 6.490 -10.325 7.135 1.00 0.00 C ATOM 0 H ALA B 40 7.033 -8.393 5.715 1.00 0.00 H new ATOM 0 HA ALA B 40 5.376 -8.703 7.983 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.262 -11.018 7.945 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.777 -10.469 6.323 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.499 -10.514 6.770 1.00 0.00 H new ATOM 2062 N HIS B 41 8.623 -8.648 8.576 1.00 0.00 N ATOM 2063 CA HIS B 41 9.617 -8.471 9.633 1.00 0.00 C ATOM 2064 C HIS B 41 9.474 -7.124 10.335 1.00 0.00 C ATOM 2065 O HIS B 41 9.375 -7.057 11.560 1.00 0.00 O ATOM 2066 CB HIS B 41 11.025 -8.585 9.052 1.00 0.00 C ATOM 2067 CG HIS B 41 11.452 -9.988 8.762 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.689 -10.920 9.748 1.00 0.00 N ATOM 2069 CD2 HIS B 41 11.708 -10.609 7.589 1.00 0.00 C ATOM 2070 CE1 HIS B 41 12.078 -12.053 9.194 1.00 0.00 C ATOM 2071 NE2 HIS B 41 12.100 -11.894 7.884 1.00 0.00 N ATOM 0 H HIS B 41 9.015 -8.726 7.638 1.00 0.00 H new ATOM 0 HA HIS B 41 9.448 -9.257 10.369 1.00 0.00 H new ATOM 0 HB2 HIS B 41 11.075 -8.003 8.132 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.732 -8.138 9.750 1.00 0.00 H new ATOM 0 HD2 HIS B 41 11.621 -10.177 6.603 1.00 0.00 H new ATOM 0 HE1 HIS B 41 12.335 -12.958 9.724 1.00 0.00 H new ATOM 0 HE2 HIS B 41 12.364 -12.606 7.203 1.00 0.00 H new ATOM 2080 N ILE B 42 9.494 -6.054 9.551 1.00 0.00 N ATOM 2081 CA ILE B 42 9.399 -4.702 10.090 1.00 0.00 C ATOM 2082 C ILE B 42 8.116 -4.490 10.892 1.00 0.00 C ATOM 2083 O ILE B 42 8.156 -3.984 12.014 1.00 0.00 O ATOM 2084 CB ILE B 42 9.478 -3.654 8.959 1.00 0.00 C ATOM 2085 CG1 ILE B 42 10.773 -3.830 8.165 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.390 -2.237 9.516 1.00 0.00 C ATOM 2087 CD1 ILE B 42 10.925 -2.840 7.030 1.00 0.00 C ATOM 0 H ILE B 42 9.576 -6.096 8.535 1.00 0.00 H new ATOM 0 HA ILE B 42 10.245 -4.574 10.765 1.00 0.00 H new ATOM 0 HB ILE B 42 8.629 -3.810 8.293 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.621 -3.728 8.842 1.00 0.00 H new ATOM 0 HG13 ILE B 42 10.807 -4.842 7.761 1.00 0.00 H new ATOM 0 HG21 ILE B 42 9.448 -1.520 8.697 1.00 0.00 H new ATOM 0 HG22 ILE B 42 8.444 -2.111 10.042 1.00 0.00 H new ATOM 0 HG23 ILE B 42 10.215 -2.066 10.207 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.866 -3.023 6.511 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.096 -2.957 6.332 1.00 0.00 H new ATOM 0 HD13 ILE B 42 10.923 -1.826 7.429 1.00 0.00 H new ATOM 2099 N LYS B 43 6.980 -4.855 10.312 1.00 0.00 N ATOM 2100 CA LYS B 43 5.695 -4.673 10.980 1.00 0.00 C ATOM 2101 C LYS B 43 5.616 -5.468 12.280 1.00 0.00 C ATOM 2102 O LYS B 43 5.329 -4.911 13.339 1.00 0.00 O ATOM 2103 CB LYS B 43 4.552 -5.079 10.040 1.00 0.00 C ATOM 2104 CG LYS B 43 3.184 -4.545 10.455 1.00 0.00 C ATOM 2105 CD LYS B 43 2.596 -5.274 11.661 1.00 0.00 C ATOM 2106 CE LYS B 43 1.958 -6.602 11.276 1.00 0.00 C ATOM 2107 NZ LYS B 43 2.951 -7.586 10.763 1.00 0.00 N ATOM 0 H LYS B 43 6.920 -5.277 9.385 1.00 0.00 H new ATOM 0 HA LYS B 43 5.598 -3.617 11.233 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.779 -4.724 9.035 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.506 -6.167 9.991 1.00 0.00 H new ATOM 0 HG2 LYS B 43 3.270 -3.483 10.687 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.496 -4.633 9.614 1.00 0.00 H new ATOM 0 HD2 LYS B 43 3.382 -5.450 12.396 1.00 0.00 H new ATOM 0 HD3 LYS B 43 1.850 -4.639 12.139 1.00 0.00 H new ATOM 0 HE2 LYS B 43 1.450 -7.022 12.144 1.00 0.00 H new ATOM 0 HE3 LYS B 43 1.197 -6.428 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 2.715 -8.535 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 2.931 -7.590 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 3.902 -7.322 11.090 1.00 0.00 H new ATOM 2121 N LYS B 44 5.850 -6.771 12.198 1.00 0.00 N ATOM 2122 CA LYS B 44 5.778 -7.635 13.374 1.00 0.00 C ATOM 2123 C LYS B 44 6.734 -7.185 14.474 1.00 0.00 C ATOM 2124 O LYS B 44 6.358 -7.128 15.646 1.00 0.00 O ATOM 2125 CB LYS B 44 6.073 -9.085 12.989 1.00 0.00 C ATOM 2126 CG LYS B 44 5.058 -9.678 12.025 1.00 0.00 C ATOM 2127 CD LYS B 44 5.410 -11.111 11.657 1.00 0.00 C ATOM 2128 CE LYS B 44 4.393 -11.707 10.699 1.00 0.00 C ATOM 2129 NZ LYS B 44 3.024 -11.732 11.286 1.00 0.00 N ATOM 0 H LYS B 44 6.091 -7.254 11.333 1.00 0.00 H new ATOM 0 HA LYS B 44 4.763 -7.563 13.766 1.00 0.00 H new ATOM 0 HB2 LYS B 44 7.064 -9.138 12.538 1.00 0.00 H new ATOM 0 HB3 LYS B 44 6.101 -9.693 13.893 1.00 0.00 H new ATOM 0 HG2 LYS B 44 4.066 -9.650 12.477 1.00 0.00 H new ATOM 0 HG3 LYS B 44 5.014 -9.070 11.122 1.00 0.00 H new ATOM 0 HD2 LYS B 44 6.400 -11.138 11.201 1.00 0.00 H new ATOM 0 HD3 LYS B 44 5.459 -11.718 12.561 1.00 0.00 H new ATOM 0 HE2 LYS B 44 4.381 -11.128 9.776 1.00 0.00 H new ATOM 0 HE3 LYS B 44 4.693 -12.721 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 2.597 -12.668 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.080 -11.541 12.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.437 -11.005 10.829 1.00 0.00 H new ATOM 2143 N GLU B 45 7.969 -6.874 14.103 1.00 0.00 N ATOM 2144 CA GLU B 45 8.964 -6.441 15.078 1.00 0.00 C ATOM 2145 C GLU B 45 8.475 -5.228 15.867 1.00 0.00 C ATOM 2146 O GLU B 45 8.580 -5.191 17.092 1.00 0.00 O ATOM 2147 CB GLU B 45 10.289 -6.116 14.383 1.00 0.00 C ATOM 2148 CG GLU B 45 11.379 -5.654 15.336 1.00 0.00 C ATOM 2149 CD GLU B 45 12.694 -5.385 14.633 1.00 0.00 C ATOM 2150 OE1 GLU B 45 13.256 -6.331 14.043 1.00 0.00 O ATOM 2151 OE2 GLU B 45 13.164 -4.228 14.672 1.00 0.00 O ATOM 0 H GLU B 45 8.305 -6.913 13.141 1.00 0.00 H new ATOM 0 HA GLU B 45 9.122 -7.261 15.778 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.636 -7.001 13.849 1.00 0.00 H new ATOM 0 HB3 GLU B 45 10.118 -5.340 13.637 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.051 -4.747 15.844 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.531 -6.413 16.104 1.00 0.00 H new ATOM 2158 N PHE B 46 7.945 -4.236 15.159 1.00 0.00 N ATOM 2159 CA PHE B 46 7.450 -3.025 15.805 1.00 0.00 C ATOM 2160 C PHE B 46 6.165 -3.280 16.586 1.00 0.00 C ATOM 2161 O PHE B 46 6.025 -2.824 17.719 1.00 0.00 O ATOM 2162 CB PHE B 46 7.227 -1.920 14.776 1.00 0.00 C ATOM 2163 CG PHE B 46 8.501 -1.324 14.256 1.00 0.00 C ATOM 2164 CD1 PHE B 46 9.405 -0.739 15.127 1.00 0.00 C ATOM 2165 CD2 PHE B 46 8.795 -1.343 12.903 1.00 0.00 C ATOM 2166 CE1 PHE B 46 10.580 -0.186 14.660 1.00 0.00 C ATOM 2167 CE2 PHE B 46 9.969 -0.791 12.429 1.00 0.00 C ATOM 2168 CZ PHE B 46 10.863 -0.213 13.308 1.00 0.00 C ATOM 0 H PHE B 46 7.847 -4.246 14.144 1.00 0.00 H new ATOM 0 HA PHE B 46 8.212 -2.704 16.515 1.00 0.00 H new ATOM 0 HB2 PHE B 46 6.655 -2.322 13.940 1.00 0.00 H new ATOM 0 HB3 PHE B 46 6.623 -1.132 15.225 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.188 -0.715 16.185 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.099 -1.794 12.211 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.277 0.267 15.350 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.187 -0.812 11.372 1.00 0.00 H new ATOM 0 HZ PHE B 46 11.782 0.217 12.939 1.00 0.00 H new ATOM 2178 N ASP B 47 5.232 -4.004 15.985 1.00 0.00 N ATOM 2179 CA ASP B 47 3.966 -4.306 16.649 1.00 0.00 C ATOM 2180 C ASP B 47 4.207 -5.031 17.967 1.00 0.00 C ATOM 2181 O ASP B 47 3.446 -4.885 18.920 1.00 0.00 O ATOM 2182 CB ASP B 47 3.066 -5.144 15.740 1.00 0.00 C ATOM 2183 CG ASP B 47 2.489 -4.336 14.594 1.00 0.00 C ATOM 2184 OD1 ASP B 47 3.277 -3.747 13.826 1.00 0.00 O ATOM 2185 OD2 ASP B 47 1.248 -4.294 14.464 1.00 0.00 O ATOM 0 H ASP B 47 5.323 -4.392 15.046 1.00 0.00 H new ATOM 0 HA ASP B 47 3.463 -3.363 16.861 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.638 -5.981 15.339 1.00 0.00 H new ATOM 0 HB3 ASP B 47 2.252 -5.567 16.329 1.00 0.00 H new ATOM 2190 N LYS B 48 5.272 -5.819 18.009 1.00 0.00 N ATOM 2191 CA LYS B 48 5.622 -6.576 19.203 1.00 0.00 C ATOM 2192 C LYS B 48 6.260 -5.672 20.259 1.00 0.00 C ATOM 2193 O LYS B 48 5.982 -5.794 21.452 1.00 0.00 O ATOM 2194 CB LYS B 48 6.592 -7.698 18.830 1.00 0.00 C ATOM 2195 CG LYS B 48 6.459 -8.937 19.698 1.00 0.00 C ATOM 2196 CD LYS B 48 6.592 -8.608 21.175 1.00 0.00 C ATOM 2197 CE LYS B 48 6.335 -9.832 22.034 1.00 0.00 C ATOM 2198 NZ LYS B 48 6.493 -9.540 23.486 1.00 0.00 N ATOM 0 H LYS B 48 5.912 -5.951 17.226 1.00 0.00 H new ATOM 0 HA LYS B 48 4.710 -7.000 19.623 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.428 -7.976 17.789 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.613 -7.322 18.903 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.492 -9.406 19.516 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.223 -9.662 19.417 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.592 -8.223 21.376 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.887 -7.820 21.440 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.327 -10.201 21.846 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.024 -10.627 21.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.308 -10.403 24.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 7.463 -9.213 23.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.818 -8.800 23.767 1.00 0.00 H new ATOM 2212 N LYS B 49 7.136 -4.780 19.810 1.00 0.00 N ATOM 2213 CA LYS B 49 7.845 -3.875 20.713 1.00 0.00 C ATOM 2214 C LYS B 49 7.057 -2.606 21.030 1.00 0.00 C ATOM 2215 O LYS B 49 6.814 -2.288 22.193 1.00 0.00 O ATOM 2216 CB LYS B 49 9.194 -3.491 20.103 1.00 0.00 C ATOM 2217 CG LYS B 49 10.079 -4.683 19.784 1.00 0.00 C ATOM 2218 CD LYS B 49 11.417 -4.243 19.207 1.00 0.00 C ATOM 2219 CE LYS B 49 12.306 -5.436 18.890 1.00 0.00 C ATOM 2220 NZ LYS B 49 12.604 -6.248 20.103 1.00 0.00 N ATOM 0 H LYS B 49 7.374 -4.663 18.825 1.00 0.00 H new ATOM 0 HA LYS B 49 7.983 -4.412 21.651 1.00 0.00 H new ATOM 0 HB2 LYS B 49 9.021 -2.923 19.189 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.721 -2.832 20.793 1.00 0.00 H new ATOM 0 HG2 LYS B 49 10.246 -5.267 20.689 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.571 -5.335 19.073 1.00 0.00 H new ATOM 0 HD2 LYS B 49 11.250 -3.661 18.301 1.00 0.00 H new ATOM 0 HD3 LYS B 49 11.923 -3.589 19.917 1.00 0.00 H new ATOM 0 HE2 LYS B 49 11.818 -6.064 18.144 1.00 0.00 H new ATOM 0 HE3 LYS B 49 13.240 -5.086 18.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 13.377 -6.912 19.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 12.888 -5.619 20.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 11.755 -6.781 20.381 1.00 0.00 H new ATOM 2234 N TYR B 50 6.698 -1.868 19.990 1.00 0.00 N ATOM 2235 CA TYR B 50 5.977 -0.608 20.151 1.00 0.00 C ATOM 2236 C TYR B 50 4.469 -0.801 20.282 1.00 0.00 C ATOM 2237 O TYR B 50 3.779 0.081 20.787 1.00 0.00 O ATOM 2238 CB TYR B 50 6.294 0.330 18.987 1.00 0.00 C ATOM 2239 CG TYR B 50 7.766 0.665 18.881 1.00 0.00 C ATOM 2240 CD1 TYR B 50 8.701 -0.320 18.590 1.00 0.00 C ATOM 2241 CD2 TYR B 50 8.222 1.960 19.085 1.00 0.00 C ATOM 2242 CE1 TYR B 50 10.046 -0.025 18.505 1.00 0.00 C ATOM 2243 CE2 TYR B 50 9.568 2.263 19.000 1.00 0.00 C ATOM 2244 CZ TYR B 50 10.476 1.267 18.709 1.00 0.00 C ATOM 2245 OH TYR B 50 11.817 1.565 18.626 1.00 0.00 O ATOM 0 H TYR B 50 6.894 -2.119 19.021 1.00 0.00 H new ATOM 0 HA TYR B 50 6.318 -0.162 21.085 1.00 0.00 H new ATOM 0 HB2 TYR B 50 5.964 -0.131 18.056 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.725 1.252 19.105 1.00 0.00 H new ATOM 0 HD1 TYR B 50 8.369 -1.335 18.427 1.00 0.00 H new ATOM 0 HD2 TYR B 50 7.514 2.743 19.314 1.00 0.00 H new ATOM 0 HE1 TYR B 50 10.759 -0.804 18.279 1.00 0.00 H new ATOM 0 HE2 TYR B 50 9.907 3.276 19.161 1.00 0.00 H new ATOM 0 HH TYR B 50 12.020 2.324 19.211 1.00 0.00 H new ATOM 2255 N ASN B 51 3.967 -1.945 19.812 1.00 0.00 N ATOM 2256 CA ASN B 51 2.533 -2.260 19.860 1.00 0.00 C ATOM 2257 C ASN B 51 1.858 -1.849 18.557 1.00 0.00 C ATOM 2258 O ASN B 51 2.209 -0.829 17.962 1.00 0.00 O ATOM 2259 CB ASN B 51 1.832 -1.585 21.047 1.00 0.00 C ATOM 2260 CG ASN B 51 2.513 -1.885 22.369 1.00 0.00 C ATOM 2261 OD1 ASN B 51 2.631 -3.042 22.771 1.00 0.00 O ATOM 2262 ND2 ASN B 51 2.965 -0.840 23.051 1.00 0.00 N ATOM 0 H ASN B 51 4.537 -2.677 19.389 1.00 0.00 H new ATOM 0 HA ASN B 51 2.444 -3.338 19.993 1.00 0.00 H new ATOM 0 HB2 ASN B 51 1.812 -0.507 20.888 1.00 0.00 H new ATOM 0 HB3 ASN B 51 0.796 -1.920 21.091 1.00 0.00 H new ATOM 0 HD21 ASN B 51 3.432 -0.979 23.947 1.00 0.00 H new ATOM 0 HD22 ASN B 51 2.845 0.102 22.679 1.00 0.00 H new ATOM 2269 N PRO B 52 0.890 -2.649 18.082 1.00 0.00 N ATOM 2270 CA PRO B 52 0.184 -2.373 16.829 1.00 0.00 C ATOM 2271 C PRO B 52 -0.478 -0.991 16.803 1.00 0.00 C ATOM 2272 O PRO B 52 -0.559 -0.319 17.831 1.00 0.00 O ATOM 2273 CB PRO B 52 -0.881 -3.473 16.761 1.00 0.00 C ATOM 2274 CG PRO B 52 -0.358 -4.568 17.623 1.00 0.00 C ATOM 2275 CD PRO B 52 0.421 -3.896 18.717 1.00 0.00 C ATOM 0 HA PRO B 52 0.871 -2.368 15.983 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -1.844 -3.113 17.122 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -1.031 -3.814 15.737 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -1.173 -5.164 18.034 1.00 0.00 H new ATOM 0 HG3 PRO B 52 0.276 -5.245 17.052 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -0.202 -3.694 19.589 1.00 0.00 H new ATOM 0 HD3 PRO B 52 1.253 -4.513 19.056 1.00 0.00 H new ATOM 2283 N THR B 53 -0.946 -0.563 15.619 1.00 0.00 N ATOM 2284 CA THR B 53 -0.847 -1.364 14.401 1.00 0.00 C ATOM 2285 C THR B 53 -0.011 -0.658 13.339 1.00 0.00 C ATOM 2286 O THR B 53 -0.339 0.444 12.903 1.00 0.00 O ATOM 2287 CB THR B 53 -2.244 -1.657 13.858 1.00 0.00 C ATOM 2288 OG1 THR B 53 -2.183 -2.570 12.778 1.00 0.00 O ATOM 2289 CG2 THR B 53 -2.976 -0.425 13.373 1.00 0.00 C ATOM 0 H THR B 53 -1.399 0.341 15.486 1.00 0.00 H new ATOM 0 HA THR B 53 -0.350 -2.301 14.651 1.00 0.00 H new ATOM 0 HB THR B 53 -2.793 -2.075 14.701 1.00 0.00 H new ATOM 0 HG1 THR B 53 -1.333 -3.056 12.808 1.00 0.00 H new ATOM 0 HG21 THR B 53 -3.961 -0.709 13.002 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.089 0.279 14.197 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.407 0.044 12.570 1.00 0.00 H new ATOM 2297 N TRP B 54 1.073 -1.309 12.934 1.00 0.00 N ATOM 2298 CA TRP B 54 1.971 -0.761 11.927 1.00 0.00 C ATOM 2299 C TRP B 54 1.629 -1.257 10.531 1.00 0.00 C ATOM 2300 O TRP B 54 1.382 -2.444 10.318 1.00 0.00 O ATOM 2301 CB TRP B 54 3.416 -1.124 12.253 1.00 0.00 C ATOM 2302 CG TRP B 54 3.857 -0.615 13.583 1.00 0.00 C ATOM 2303 CD1 TRP B 54 3.335 -0.947 14.798 1.00 0.00 C ATOM 2304 CD2 TRP B 54 4.900 0.329 13.833 1.00 0.00 C ATOM 2305 NE1 TRP B 54 3.997 -0.275 15.793 1.00 0.00 N ATOM 2306 CE2 TRP B 54 4.964 0.518 15.226 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.789 1.031 13.012 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 5.884 1.380 15.817 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.700 1.887 13.601 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.743 2.054 14.992 1.00 0.00 C ATOM 0 H TRP B 54 1.352 -2.223 13.291 1.00 0.00 H new ATOM 0 HA TRP B 54 1.849 0.322 11.942 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.527 -2.208 12.230 1.00 0.00 H new ATOM 0 HB3 TRP B 54 4.070 -0.720 11.480 1.00 0.00 H new ATOM 0 HD1 TRP B 54 2.520 -1.638 14.954 1.00 0.00 H new ATOM 0 HE1 TRP B 54 3.803 -0.352 16.791 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.764 0.906 11.940 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 5.918 1.512 16.888 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.391 2.437 12.979 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.469 2.728 15.422 1.00 0.00 H new ATOM 2321 N HIS B 55 1.637 -0.336 9.579 1.00 0.00 N ATOM 2322 CA HIS B 55 1.351 -0.659 8.190 1.00 0.00 C ATOM 2323 C HIS B 55 2.628 -0.504 7.371 1.00 0.00 C ATOM 2324 O HIS B 55 3.402 0.427 7.603 1.00 0.00 O ATOM 2325 CB HIS B 55 0.253 0.260 7.663 1.00 0.00 C ATOM 2326 CG HIS B 55 -0.853 0.479 8.650 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.607 -0.549 9.179 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.320 1.615 9.216 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.494 -0.051 10.024 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.340 1.260 10.064 1.00 0.00 N ATOM 0 H HIS B 55 1.840 0.649 9.746 1.00 0.00 H new ATOM 0 HA HIS B 55 1.002 -1.688 8.109 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.690 1.222 7.396 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.162 -0.166 6.750 1.00 0.00 H new ATOM 0 HD1 HIS B 55 -1.497 -1.538 8.954 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -0.958 2.616 9.035 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.220 -0.620 10.586 1.00 0.00 H new ATOM 2339 N CYS B 56 2.870 -1.419 6.438 1.00 0.00 N ATOM 2340 CA CYS B 56 4.088 -1.358 5.636 1.00 0.00 C ATOM 2341 C CYS B 56 3.847 -1.727 4.174 1.00 0.00 C ATOM 2342 O CYS B 56 2.919 -2.466 3.843 1.00 0.00 O ATOM 2343 CB CYS B 56 5.155 -2.277 6.231 1.00 0.00 C ATOM 2344 SG CYS B 56 6.734 -2.246 5.349 1.00 0.00 S ATOM 0 H CYS B 56 2.251 -2.200 6.220 1.00 0.00 H new ATOM 0 HA CYS B 56 4.432 -0.324 5.658 1.00 0.00 H new ATOM 0 HB2 CYS B 56 5.326 -1.993 7.269 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.776 -3.299 6.239 1.00 0.00 H new ATOM 0 HG CYS B 56 7.077 -1.014 5.116 1.00 0.00 H new ATOM 2350 N ILE B 57 4.714 -1.200 3.313 1.00 0.00 N ATOM 2351 CA ILE B 57 4.649 -1.446 1.879 1.00 0.00 C ATOM 2352 C ILE B 57 6.058 -1.402 1.291 1.00 0.00 C ATOM 2353 O ILE B 57 6.891 -0.609 1.731 1.00 0.00 O ATOM 2354 CB ILE B 57 3.768 -0.395 1.171 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.383 -0.343 1.815 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.654 -0.704 -0.315 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.468 0.690 1.195 1.00 0.00 C ATOM 0 H ILE B 57 5.482 -0.590 3.593 1.00 0.00 H new ATOM 0 HA ILE B 57 4.206 -2.429 1.721 1.00 0.00 H new ATOM 0 HB ILE B 57 4.239 0.582 1.282 1.00 0.00 H new ATOM 0 HG12 ILE B 57 1.917 -1.325 1.735 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.493 -0.128 2.878 1.00 0.00 H new ATOM 0 HG21 ILE B 57 3.029 0.048 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.646 -0.694 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE B 57 3.205 -1.688 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.503 0.672 1.701 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.913 1.679 1.299 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.328 0.464 0.138 1.00 0.00 H new ATOM 2369 N VAL B 58 6.335 -2.258 0.313 1.00 0.00 N ATOM 2370 CA VAL B 58 7.660 -2.299 -0.296 1.00 0.00 C ATOM 2371 C VAL B 58 7.580 -2.599 -1.786 1.00 0.00 C ATOM 2372 O VAL B 58 6.872 -3.509 -2.214 1.00 0.00 O ATOM 2373 CB VAL B 58 8.554 -3.353 0.388 1.00 0.00 C ATOM 2374 CG1 VAL B 58 9.954 -3.346 -0.211 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.610 -3.110 1.888 1.00 0.00 C ATOM 0 H VAL B 58 5.668 -2.926 -0.072 1.00 0.00 H new ATOM 0 HA VAL B 58 8.101 -1.312 -0.159 1.00 0.00 H new ATOM 0 HB VAL B 58 8.117 -4.337 0.215 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.567 -4.097 0.287 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.895 -3.573 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.403 -2.362 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.245 -3.863 2.355 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.020 -2.119 2.081 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.605 -3.174 2.305 1.00 0.00 H new ATOM 2385 N GLY B 59 8.316 -1.820 -2.571 1.00 0.00 N ATOM 2386 CA GLY B 59 8.329 -2.004 -4.010 1.00 0.00 C ATOM 2387 C GLY B 59 9.026 -0.861 -4.719 1.00 0.00 C ATOM 2388 O GLY B 59 10.089 -0.420 -4.290 1.00 0.00 O ATOM 0 H GLY B 59 8.907 -1.060 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.831 -2.941 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY B 59 7.305 -2.087 -4.375 1.00 0.00 H new ATOM 2392 N ARG B 60 8.421 -0.375 -5.798 1.00 0.00 N ATOM 2393 CA ARG B 60 8.986 0.742 -6.566 1.00 0.00 C ATOM 2394 C ARG B 60 8.155 1.018 -7.821 1.00 0.00 C ATOM 2395 O ARG B 60 8.690 1.170 -8.917 1.00 0.00 O ATOM 2396 CB ARG B 60 10.445 0.456 -6.953 1.00 0.00 C ATOM 2397 CG ARG B 60 11.139 1.628 -7.638 1.00 0.00 C ATOM 2398 CD ARG B 60 12.586 1.301 -7.973 1.00 0.00 C ATOM 2399 NE ARG B 60 13.441 1.271 -6.786 1.00 0.00 N ATOM 2400 CZ ARG B 60 13.768 2.350 -6.079 1.00 0.00 C ATOM 2401 NH1 ARG B 60 13.318 3.547 -6.433 1.00 0.00 N ATOM 2402 NH2 ARG B 60 14.555 2.237 -5.018 1.00 0.00 N ATOM 0 H ARG B 60 7.539 -0.733 -6.165 1.00 0.00 H new ATOM 0 HA ARG B 60 8.961 1.628 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG B 60 11.004 0.188 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG B 60 10.473 -0.409 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG B 60 10.603 1.887 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG B 60 11.104 2.503 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG B 60 12.630 0.334 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG B 60 12.970 2.041 -8.675 1.00 0.00 H new ATOM 0 HE ARG B 60 13.808 0.369 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG B 60 12.717 3.644 -7.252 1.00 0.00 H new ATOM 0 HH12 ARG B 60 13.573 4.370 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG B 60 14.911 1.322 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG B 60 14.804 3.065 -4.478 1.00 0.00 H new ATOM 2416 N ASN B 61 6.840 1.074 -7.640 1.00 0.00 N ATOM 2417 CA ASN B 61 5.902 1.322 -8.730 1.00 0.00 C ATOM 2418 C ASN B 61 4.476 1.132 -8.223 1.00 0.00 C ATOM 2419 O ASN B 61 3.817 0.150 -8.566 1.00 0.00 O ATOM 2420 CB ASN B 61 6.167 0.368 -9.899 1.00 0.00 C ATOM 2421 CG ASN B 61 5.277 0.654 -11.088 1.00 0.00 C ATOM 2422 OD1 ASN B 61 5.411 1.686 -11.744 1.00 0.00 O ATOM 2423 ND2 ASN B 61 4.353 -0.254 -11.369 1.00 0.00 N ATOM 0 H ASN B 61 6.393 0.949 -6.732 1.00 0.00 H new ATOM 0 HA ASN B 61 6.035 2.345 -9.083 1.00 0.00 H new ATOM 0 HB2 ASN B 61 7.211 0.449 -10.202 1.00 0.00 H new ATOM 0 HB3 ASN B 61 6.010 -0.659 -9.569 1.00 0.00 H new ATOM 0 HD21 ASN B 61 3.719 -0.110 -12.155 1.00 0.00 H new ATOM 0 HD22 ASN B 61 4.276 -1.096 -10.799 1.00 0.00 H new ATOM 2430 N PHE B 62 4.015 2.045 -7.373 1.00 0.00 N ATOM 2431 CA PHE B 62 2.682 1.918 -6.798 1.00 0.00 C ATOM 2432 C PHE B 62 2.220 3.183 -6.086 1.00 0.00 C ATOM 2433 O PHE B 62 2.998 3.860 -5.412 1.00 0.00 O ATOM 2434 CB PHE B 62 2.696 0.763 -5.801 1.00 0.00 C ATOM 2435 CG PHE B 62 3.585 1.015 -4.611 1.00 0.00 C ATOM 2436 CD1 PHE B 62 3.178 1.861 -3.592 1.00 0.00 C ATOM 2437 CD2 PHE B 62 4.833 0.416 -4.521 1.00 0.00 C ATOM 2438 CE1 PHE B 62 3.997 2.105 -2.505 1.00 0.00 C ATOM 2439 CE2 PHE B 62 5.654 0.655 -3.435 1.00 0.00 C ATOM 2440 CZ PHE B 62 5.236 1.500 -2.425 1.00 0.00 C ATOM 0 H PHE B 62 4.536 2.868 -7.071 1.00 0.00 H new ATOM 0 HA PHE B 62 1.984 1.737 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.679 0.579 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE B 62 3.028 -0.142 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE B 62 2.209 2.336 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE B 62 5.167 -0.244 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.668 2.768 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE B 62 6.623 0.181 -3.376 1.00 0.00 H new ATOM 0 HZ PHE B 62 5.876 1.687 -1.575 1.00 0.00 H new ATOM 2450 N GLY B 63 0.927 3.460 -6.206 1.00 0.00 N ATOM 2451 CA GLY B 63 0.340 4.603 -5.532 1.00 0.00 C ATOM 2452 C GLY B 63 -0.303 4.157 -4.234 1.00 0.00 C ATOM 2453 O GLY B 63 -0.971 3.123 -4.207 1.00 0.00 O ATOM 0 H GLY B 63 0.271 2.910 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY B 63 1.106 5.352 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.404 5.073 -6.175 1.00 0.00 H new ATOM 2457 N SER B 64 -0.091 4.892 -3.144 1.00 0.00 N ATOM 2458 CA SER B 64 -0.660 4.477 -1.864 1.00 0.00 C ATOM 2459 C SER B 64 -1.268 5.630 -1.073 1.00 0.00 C ATOM 2460 O SER B 64 -0.789 6.765 -1.116 1.00 0.00 O ATOM 2461 CB SER B 64 0.408 3.783 -1.017 1.00 0.00 C ATOM 2462 OG SER B 64 0.927 2.644 -1.682 1.00 0.00 O ATOM 0 H SER B 64 0.454 5.754 -3.119 1.00 0.00 H new ATOM 0 HA SER B 64 -1.471 3.786 -2.095 1.00 0.00 H new ATOM 0 HB2 SER B 64 1.216 4.482 -0.802 1.00 0.00 H new ATOM 0 HB3 SER B 64 -0.020 3.485 -0.060 1.00 0.00 H new ATOM 0 HG SER B 64 1.860 2.809 -1.933 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.323 5.299 -0.333 1.00 0.00 N ATOM 2469 CA TYR B 65 -3.028 6.254 0.512 1.00 0.00 C ATOM 2470 C TYR B 65 -3.530 5.520 1.754 1.00 0.00 C ATOM 2471 O TYR B 65 -4.145 4.459 1.649 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.198 6.885 -0.248 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.573 8.265 0.247 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.655 9.307 0.201 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -5.840 8.528 0.749 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.989 10.574 0.642 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -6.181 9.794 1.193 1.00 0.00 C ATOM 2478 CZ TYR B 65 -5.254 10.811 1.137 1.00 0.00 C ATOM 2479 OH TYR B 65 -5.590 12.071 1.574 1.00 0.00 O ATOM 0 H TYR B 65 -2.713 4.357 -0.304 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.352 7.058 0.804 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.942 6.946 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -5.067 6.231 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -2.663 9.124 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -6.570 7.734 0.794 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.264 11.373 0.599 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -7.171 9.984 1.582 1.00 0.00 H new ATOM 0 HH TYR B 65 -6.194 12.000 2.343 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.229 6.062 2.928 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.609 5.424 4.188 1.00 0.00 C ATOM 2491 C VAL B 66 -3.690 6.444 5.319 1.00 0.00 C ATOM 2492 O VAL B 66 -3.236 7.569 5.173 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.561 4.357 4.577 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.995 3.573 5.802 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -2.284 3.419 3.410 1.00 0.00 C ATOM 0 H VAL B 66 -2.723 6.941 3.037 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.587 4.966 4.042 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.637 4.879 4.826 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -2.235 2.831 6.048 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -3.123 4.254 6.643 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.940 3.070 5.596 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.543 2.677 3.708 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -3.207 2.915 3.121 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -1.904 3.992 2.565 1.00 0.00 H new ATOM 2505 N THR B 67 -4.259 6.037 6.453 1.00 0.00 N ATOM 2506 CA THR B 67 -4.368 6.914 7.616 1.00 0.00 C ATOM 2507 C THR B 67 -3.410 6.445 8.704 1.00 0.00 C ATOM 2508 O THR B 67 -3.088 5.259 8.786 1.00 0.00 O ATOM 2509 CB THR B 67 -5.805 6.936 8.143 1.00 0.00 C ATOM 2510 OG1 THR B 67 -6.698 7.391 7.142 1.00 0.00 O ATOM 2511 CG2 THR B 67 -5.985 7.824 9.356 1.00 0.00 C ATOM 0 H THR B 67 -4.651 5.106 6.590 1.00 0.00 H new ATOM 0 HA THR B 67 -4.101 7.928 7.319 1.00 0.00 H new ATOM 0 HB THR B 67 -6.023 5.907 8.431 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.532 6.878 7.189 1.00 0.00 H new ATOM 0 HG21 THR B 67 -7.026 7.794 9.678 1.00 0.00 H new ATOM 0 HG22 THR B 67 -5.345 7.470 10.164 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.714 8.848 9.100 1.00 0.00 H new ATOM 2519 N HIS B 68 -2.925 7.375 9.522 1.00 0.00 N ATOM 2520 CA HIS B 68 -1.975 7.024 10.570 1.00 0.00 C ATOM 2521 C HIS B 68 -1.884 8.096 11.651 1.00 0.00 C ATOM 2522 O HIS B 68 -1.958 9.293 11.372 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.605 6.813 9.938 1.00 0.00 C ATOM 2524 CG HIS B 68 -0.161 7.995 9.139 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.353 9.140 9.708 1.00 0.00 N ATOM 2526 CD2 HIS B 68 -0.201 8.224 7.807 1.00 0.00 C ATOM 2527 CE1 HIS B 68 0.607 10.024 8.760 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.282 9.492 7.597 1.00 0.00 N ATOM 0 H HIS B 68 -3.171 8.364 9.480 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.323 6.111 11.052 1.00 0.00 H new ATOM 0 HB2 HIS B 68 0.126 6.611 10.720 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -0.635 5.933 9.295 1.00 0.00 H new ATOM 0 HD1 HIS B 68 0.512 9.283 10.705 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.548 7.537 7.049 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.012 11.014 8.911 1.00 0.00 H new ATOM 2537 N GLU B 69 -1.713 7.642 12.888 1.00 0.00 N ATOM 2538 CA GLU B 69 -1.595 8.534 14.035 1.00 0.00 C ATOM 2539 C GLU B 69 -0.340 9.399 13.927 1.00 0.00 C ATOM 2540 O GLU B 69 0.663 8.984 13.349 1.00 0.00 O ATOM 2541 CB GLU B 69 -1.558 7.712 15.326 1.00 0.00 C ATOM 2542 CG GLU B 69 -1.436 8.554 16.581 1.00 0.00 C ATOM 2543 CD GLU B 69 -1.413 7.718 17.845 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -2.398 6.989 18.092 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -0.413 7.791 18.588 1.00 0.00 O ATOM 0 H GLU B 69 -1.653 6.651 13.123 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.462 9.195 14.051 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -2.465 7.110 15.389 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.718 7.019 15.281 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -0.525 9.149 16.527 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -2.271 9.253 16.627 1.00 0.00 H new ATOM 2552 N THR B 70 -0.403 10.607 14.485 1.00 0.00 N ATOM 2553 CA THR B 70 0.730 11.531 14.448 1.00 0.00 C ATOM 2554 C THR B 70 2.001 10.874 14.977 1.00 0.00 C ATOM 2555 O THR B 70 1.943 9.951 15.790 1.00 0.00 O ATOM 2556 CB THR B 70 0.426 12.788 15.260 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.124 12.457 16.605 1.00 0.00 O ATOM 2558 CG2 THR B 70 -0.733 13.591 14.713 1.00 0.00 C ATOM 0 H THR B 70 -1.226 10.969 14.968 1.00 0.00 H new ATOM 0 HA THR B 70 0.892 11.807 13.406 1.00 0.00 H new ATOM 0 HB THR B 70 1.328 13.396 15.196 1.00 0.00 H new ATOM 0 HG1 THR B 70 -0.066 13.276 17.109 1.00 0.00 H new ATOM 0 HG21 THR B 70 -0.894 14.470 15.338 1.00 0.00 H new ATOM 0 HG22 THR B 70 -0.508 13.906 13.694 1.00 0.00 H new ATOM 0 HG23 THR B 70 -1.633 12.977 14.712 1.00 0.00 H new ATOM 2566 N LYS B 71 3.147 11.352 14.501 1.00 0.00 N ATOM 2567 CA LYS B 71 4.435 10.807 14.918 1.00 0.00 C ATOM 2568 C LYS B 71 4.544 9.343 14.519 1.00 0.00 C ATOM 2569 O LYS B 71 5.056 8.516 15.271 1.00 0.00 O ATOM 2570 CB LYS B 71 4.621 10.961 16.428 1.00 0.00 C ATOM 2571 CG LYS B 71 4.728 12.407 16.881 1.00 0.00 C ATOM 2572 CD LYS B 71 5.924 13.099 16.248 1.00 0.00 C ATOM 2573 CE LYS B 71 6.042 14.543 16.702 1.00 0.00 C ATOM 2574 NZ LYS B 71 6.194 14.652 18.179 1.00 0.00 N ATOM 0 H LYS B 71 3.210 12.115 13.827 1.00 0.00 H new ATOM 0 HA LYS B 71 5.224 11.366 14.415 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.782 10.490 16.939 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.521 10.426 16.732 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.815 12.941 16.617 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.817 12.444 17.967 1.00 0.00 H new ATOM 0 HD2 LYS B 71 6.835 12.560 16.507 1.00 0.00 H new ATOM 0 HD3 LYS B 71 5.832 13.065 15.162 1.00 0.00 H new ATOM 0 HE2 LYS B 71 6.899 15.008 16.214 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.157 15.096 16.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 6.506 15.613 18.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 5.281 14.456 18.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 6.901 13.964 18.507 1.00 0.00 H new ATOM 2588 N HIS B 72 4.058 9.039 13.321 1.00 0.00 N ATOM 2589 CA HIS B 72 4.095 7.678 12.802 1.00 0.00 C ATOM 2590 C HIS B 72 3.990 7.677 11.281 1.00 0.00 C ATOM 2591 O HIS B 72 2.980 7.261 10.717 1.00 0.00 O ATOM 2592 CB HIS B 72 2.962 6.842 13.405 1.00 0.00 C ATOM 2593 CG HIS B 72 3.030 6.724 14.895 1.00 0.00 C ATOM 2594 ND1 HIS B 72 4.088 6.137 15.557 1.00 0.00 N ATOM 2595 CD2 HIS B 72 2.162 7.121 15.857 1.00 0.00 C ATOM 2596 CE1 HIS B 72 3.868 6.178 16.858 1.00 0.00 C ATOM 2597 NE2 HIS B 72 2.708 6.770 17.067 1.00 0.00 N ATOM 0 H HIS B 72 3.633 9.719 12.690 1.00 0.00 H new ATOM 0 HA HIS B 72 5.049 7.234 13.086 1.00 0.00 H new ATOM 0 HB2 HIS B 72 2.006 7.287 13.128 1.00 0.00 H new ATOM 0 HB3 HIS B 72 2.987 5.843 12.969 1.00 0.00 H new ATOM 0 HD2 HIS B 72 1.217 7.620 15.701 1.00 0.00 H new ATOM 0 HE1 HIS B 72 4.527 5.792 17.622 1.00 0.00 H new ATOM 0 HE2 HIS B 72 2.285 6.940 17.980 1.00 0.00 H new ATOM 2606 N PHE B 73 5.042 8.152 10.625 1.00 0.00 N ATOM 2607 CA PHE B 73 5.080 8.211 9.169 1.00 0.00 C ATOM 2608 C PHE B 73 6.524 8.143 8.685 1.00 0.00 C ATOM 2609 O PHE B 73 7.383 8.883 9.165 1.00 0.00 O ATOM 2610 CB PHE B 73 4.401 9.498 8.680 1.00 0.00 C ATOM 2611 CG PHE B 73 4.532 9.757 7.201 1.00 0.00 C ATOM 2612 CD1 PHE B 73 5.765 10.052 6.636 1.00 0.00 C ATOM 2613 CD2 PHE B 73 3.419 9.707 6.377 1.00 0.00 C ATOM 2614 CE1 PHE B 73 5.882 10.291 5.281 1.00 0.00 C ATOM 2615 CE2 PHE B 73 3.532 9.946 5.021 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.764 10.239 4.472 1.00 0.00 C ATOM 0 H PHE B 73 5.884 8.503 11.081 1.00 0.00 H new ATOM 0 HA PHE B 73 4.538 7.359 8.759 1.00 0.00 H new ATOM 0 HB2 PHE B 73 3.342 9.453 8.935 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.824 10.344 9.222 1.00 0.00 H new ATOM 0 HD1 PHE B 73 6.643 10.095 7.263 1.00 0.00 H new ATOM 0 HD2 PHE B 73 2.452 9.479 6.800 1.00 0.00 H new ATOM 0 HE1 PHE B 73 6.848 10.519 4.854 1.00 0.00 H new ATOM 0 HE2 PHE B 73 2.656 9.904 4.390 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.853 10.427 3.412 1.00 0.00 H new ATOM 2626 N ILE B 74 6.793 7.244 7.742 1.00 0.00 N ATOM 2627 CA ILE B 74 8.143 7.086 7.221 1.00 0.00 C ATOM 2628 C ILE B 74 8.151 6.415 5.850 1.00 0.00 C ATOM 2629 O ILE B 74 7.329 5.546 5.557 1.00 0.00 O ATOM 2630 CB ILE B 74 9.018 6.274 8.194 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.428 6.071 7.630 1.00 0.00 C ATOM 2632 CG2 ILE B 74 8.368 4.932 8.495 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.340 5.311 8.564 1.00 0.00 C ATOM 0 H ILE B 74 6.100 6.621 7.328 1.00 0.00 H new ATOM 0 HA ILE B 74 8.557 8.089 7.114 1.00 0.00 H new ATOM 0 HB ILE B 74 9.105 6.838 9.123 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.360 5.535 6.683 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.869 7.044 7.414 1.00 0.00 H new ATOM 0 HG21 ILE B 74 8.998 4.369 9.184 1.00 0.00 H new ATOM 0 HG22 ILE B 74 7.390 5.095 8.948 1.00 0.00 H new ATOM 0 HG23 ILE B 74 8.250 4.369 7.569 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.322 5.202 8.104 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.437 5.857 9.502 1.00 0.00 H new ATOM 0 HD13 ILE B 74 10.920 4.325 8.760 1.00 0.00 H new ATOM 2645 N TYR B 75 9.099 6.835 5.021 1.00 0.00 N ATOM 2646 CA TYR B 75 9.261 6.304 3.674 1.00 0.00 C ATOM 2647 C TYR B 75 10.696 6.532 3.218 1.00 0.00 C ATOM 2648 O TYR B 75 11.243 7.620 3.407 1.00 0.00 O ATOM 2649 CB TYR B 75 8.278 6.990 2.719 1.00 0.00 C ATOM 2650 CG TYR B 75 8.289 6.437 1.311 1.00 0.00 C ATOM 2651 CD1 TYR B 75 9.416 6.546 0.503 1.00 0.00 C ATOM 2652 CD2 TYR B 75 7.168 5.807 0.788 1.00 0.00 C ATOM 2653 CE1 TYR B 75 9.422 6.044 -0.784 1.00 0.00 C ATOM 2654 CE2 TYR B 75 7.166 5.300 -0.497 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.295 5.423 -1.279 1.00 0.00 C ATOM 2656 OH TYR B 75 8.296 4.923 -2.562 1.00 0.00 O ATOM 0 H TYR B 75 9.779 7.555 5.265 1.00 0.00 H new ATOM 0 HA TYR B 75 9.050 5.235 3.672 1.00 0.00 H new ATOM 0 HB2 TYR B 75 7.271 6.898 3.125 1.00 0.00 H new ATOM 0 HB3 TYR B 75 8.510 8.054 2.681 1.00 0.00 H new ATOM 0 HD1 TYR B 75 10.301 7.031 0.888 1.00 0.00 H new ATOM 0 HD2 TYR B 75 6.281 5.711 1.397 1.00 0.00 H new ATOM 0 HE1 TYR B 75 10.305 6.138 -1.399 1.00 0.00 H new ATOM 0 HE2 TYR B 75 6.286 4.810 -0.887 1.00 0.00 H new ATOM 0 HH TYR B 75 9.057 5.293 -3.056 1.00 0.00 H new ATOM 2666 N PHE B 76 11.322 5.511 2.644 1.00 0.00 N ATOM 2667 CA PHE B 76 12.707 5.638 2.207 1.00 0.00 C ATOM 2668 C PHE B 76 13.122 4.506 1.270 1.00 0.00 C ATOM 2669 O PHE B 76 12.761 3.347 1.476 1.00 0.00 O ATOM 2670 CB PHE B 76 13.625 5.670 3.434 1.00 0.00 C ATOM 2671 CG PHE B 76 13.559 4.426 4.277 1.00 0.00 C ATOM 2672 CD1 PHE B 76 14.070 3.225 3.809 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.980 4.458 5.536 1.00 0.00 C ATOM 2674 CE1 PHE B 76 14.007 2.081 4.581 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.914 3.317 6.312 1.00 0.00 C ATOM 2676 CZ PHE B 76 13.429 2.127 5.833 1.00 0.00 C ATOM 0 H PHE B 76 10.900 4.598 2.472 1.00 0.00 H new ATOM 0 HA PHE B 76 12.798 6.568 1.646 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.653 5.819 3.103 1.00 0.00 H new ATOM 0 HB3 PHE B 76 13.361 6.529 4.051 1.00 0.00 H new ATOM 0 HD1 PHE B 76 14.523 3.183 2.829 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.576 5.385 5.915 1.00 0.00 H new ATOM 0 HE1 PHE B 76 14.410 1.152 4.205 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.461 3.355 7.292 1.00 0.00 H new ATOM 0 HZ PHE B 76 13.379 1.234 6.438 1.00 0.00 H new ATOM 2686 N TYR B 77 13.891 4.857 0.240 1.00 0.00 N ATOM 2687 CA TYR B 77 14.375 3.878 -0.728 1.00 0.00 C ATOM 2688 C TYR B 77 15.541 3.078 -0.156 1.00 0.00 C ATOM 2689 O TYR B 77 16.365 3.605 0.590 1.00 0.00 O ATOM 2690 CB TYR B 77 14.801 4.567 -2.027 1.00 0.00 C ATOM 2691 CG TYR B 77 13.644 5.020 -2.890 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.788 4.096 -3.474 1.00 0.00 C ATOM 2693 CD2 TYR B 77 13.413 6.369 -3.125 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.734 4.502 -4.269 1.00 0.00 C ATOM 2695 CE2 TYR B 77 12.359 6.783 -3.918 1.00 0.00 C ATOM 2696 CZ TYR B 77 11.522 5.847 -4.487 1.00 0.00 C ATOM 2697 OH TYR B 77 10.472 6.256 -5.278 1.00 0.00 O ATOM 0 H TYR B 77 14.192 5.814 0.056 1.00 0.00 H new ATOM 0 HA TYR B 77 13.557 3.192 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR B 77 15.419 5.431 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR B 77 15.424 3.882 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR B 77 12.949 3.042 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR B 77 14.067 7.106 -2.682 1.00 0.00 H new ATOM 0 HE1 TYR B 77 11.079 3.770 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR B 77 12.192 7.836 -4.091 1.00 0.00 H new ATOM 0 HH TYR B 77 10.463 7.235 -5.329 1.00 0.00 H new ATOM 2707 N LEU B 78 15.596 1.801 -0.511 1.00 0.00 N ATOM 2708 CA LEU B 78 16.653 0.913 -0.041 1.00 0.00 C ATOM 2709 C LEU B 78 16.616 -0.419 -0.784 1.00 0.00 C ATOM 2710 O LEU B 78 15.543 -0.953 -1.064 1.00 0.00 O ATOM 2711 CB LEU B 78 16.512 0.669 1.461 1.00 0.00 C ATOM 2712 CG LEU B 78 17.605 -0.203 2.081 1.00 0.00 C ATOM 2713 CD1 LEU B 78 18.976 0.416 1.851 1.00 0.00 C ATOM 2714 CD2 LEU B 78 17.349 -0.399 3.568 1.00 0.00 C ATOM 0 H LEU B 78 14.917 1.354 -1.127 1.00 0.00 H new ATOM 0 HA LEU B 78 17.610 1.395 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU B 78 16.504 1.632 1.971 1.00 0.00 H new ATOM 0 HB3 LEU B 78 15.545 0.201 1.648 1.00 0.00 H new ATOM 0 HG LEU B 78 17.584 -1.179 1.597 1.00 0.00 H new ATOM 0 HD11 LEU B 78 19.741 -0.218 2.299 1.00 0.00 H new ATOM 0 HD12 LEU B 78 19.160 0.505 0.780 1.00 0.00 H new ATOM 0 HD13 LEU B 78 19.010 1.405 2.309 1.00 0.00 H new ATOM 0 HD21 LEU B 78 18.136 -1.022 3.994 1.00 0.00 H new ATOM 0 HD22 LEU B 78 17.343 0.570 4.067 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.384 -0.886 3.710 1.00 0.00 H new ATOM 2726 N GLY B 79 17.793 -0.947 -1.104 1.00 0.00 N ATOM 2727 CA GLY B 79 17.870 -2.214 -1.812 1.00 0.00 C ATOM 2728 C GLY B 79 17.093 -2.194 -3.113 1.00 0.00 C ATOM 2729 O GLY B 79 16.434 -3.173 -3.467 1.00 0.00 O ATOM 0 H GLY B 79 18.694 -0.522 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY B 79 18.914 -2.449 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.484 -3.009 -1.173 1.00 0.00 H new ATOM 2733 N GLN B 80 17.171 -1.077 -3.822 1.00 0.00 N ATOM 2734 CA GLN B 80 16.472 -0.922 -5.089 1.00 0.00 C ATOM 2735 C GLN B 80 14.969 -1.123 -4.916 1.00 0.00 C ATOM 2736 O GLN B 80 14.300 -1.653 -5.804 1.00 0.00 O ATOM 2737 CB GLN B 80 17.015 -1.909 -6.127 1.00 0.00 C ATOM 2738 CG GLN B 80 18.413 -1.578 -6.634 1.00 0.00 C ATOM 2739 CD GLN B 80 19.466 -1.589 -5.541 1.00 0.00 C ATOM 2740 OE1 GLN B 80 19.462 -0.745 -4.644 1.00 0.00 O ATOM 2741 NE2 GLN B 80 20.379 -2.552 -5.612 1.00 0.00 N ATOM 0 H GLN B 80 17.714 -0.261 -3.539 1.00 0.00 H new ATOM 0 HA GLN B 80 16.645 0.095 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN B 80 17.026 -2.908 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN B 80 16.331 -1.939 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN B 80 18.692 -2.296 -7.405 1.00 0.00 H new ATOM 0 HG3 GLN B 80 18.398 -0.595 -7.105 1.00 0.00 H new ATOM 0 HE21 GLN B 80 20.346 -3.231 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN B 80 21.113 -2.612 -4.906 1.00 0.00 H new ATOM 2750 N VAL B 81 14.443 -0.687 -3.774 1.00 0.00 N ATOM 2751 CA VAL B 81 13.017 -0.809 -3.488 1.00 0.00 C ATOM 2752 C VAL B 81 12.589 0.168 -2.396 1.00 0.00 C ATOM 2753 O VAL B 81 13.195 0.227 -1.327 1.00 0.00 O ATOM 2754 CB VAL B 81 12.643 -2.242 -3.054 1.00 0.00 C ATOM 2755 CG1 VAL B 81 12.878 -3.229 -4.186 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.428 -2.651 -1.816 1.00 0.00 C ATOM 0 H VAL B 81 14.984 -0.245 -3.031 1.00 0.00 H new ATOM 0 HA VAL B 81 12.492 -0.572 -4.413 1.00 0.00 H new ATOM 0 HB VAL B 81 11.581 -2.254 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL B 81 12.607 -4.232 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.265 -2.951 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL B 81 13.930 -3.212 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL B 81 13.149 -3.664 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.495 -2.616 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL B 81 13.202 -1.966 -0.999 1.00 0.00 H new ATOM 2766 N ALA B 82 11.539 0.934 -2.678 1.00 0.00 N ATOM 2767 CA ALA B 82 11.022 1.910 -1.728 1.00 0.00 C ATOM 2768 C ALA B 82 10.345 1.227 -0.546 1.00 0.00 C ATOM 2769 O ALA B 82 9.538 0.314 -0.722 1.00 0.00 O ATOM 2770 CB ALA B 82 10.052 2.854 -2.422 1.00 0.00 C ATOM 0 H ALA B 82 11.029 0.896 -3.561 1.00 0.00 H new ATOM 0 HA ALA B 82 11.864 2.486 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA B 82 9.672 3.579 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA B 82 10.567 3.378 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA B 82 9.221 2.283 -2.835 1.00 0.00 H new ATOM 2776 N ILE B 83 10.674 1.680 0.657 1.00 0.00 N ATOM 2777 CA ILE B 83 10.092 1.119 1.869 1.00 0.00 C ATOM 2778 C ILE B 83 9.148 2.116 2.534 1.00 0.00 C ATOM 2779 O ILE B 83 9.442 3.308 2.613 1.00 0.00 O ATOM 2780 CB ILE B 83 11.185 0.698 2.875 1.00 0.00 C ATOM 2781 CG1 ILE B 83 12.123 -0.326 2.234 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.558 0.128 4.140 1.00 0.00 C ATOM 2783 CD1 ILE B 83 13.215 -0.811 3.163 1.00 0.00 C ATOM 0 H ILE B 83 11.341 2.434 0.819 1.00 0.00 H new ATOM 0 HA ILE B 83 9.528 0.234 1.574 1.00 0.00 H new ATOM 0 HB ILE B 83 11.764 1.580 3.149 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.538 -1.181 1.897 1.00 0.00 H new ATOM 0 HG13 ILE B 83 12.580 0.116 1.349 1.00 0.00 H new ATOM 0 HG21 ILE B 83 11.344 -0.163 4.837 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.924 0.883 4.604 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.957 -0.745 3.886 1.00 0.00 H new ATOM 0 HD11 ILE B 83 13.842 -1.535 2.641 1.00 0.00 H new ATOM 0 HD12 ILE B 83 13.825 0.035 3.481 1.00 0.00 H new ATOM 0 HD13 ILE B 83 12.766 -1.283 4.037 1.00 0.00 H new ATOM 2795 N LEU B 84 8.011 1.617 3.007 1.00 0.00 N ATOM 2796 CA LEU B 84 7.018 2.460 3.661 1.00 0.00 C ATOM 2797 C LEU B 84 6.599 1.858 4.998 1.00 0.00 C ATOM 2798 O LEU B 84 6.454 0.642 5.122 1.00 0.00 O ATOM 2799 CB LEU B 84 5.795 2.633 2.758 1.00 0.00 C ATOM 2800 CG LEU B 84 4.681 3.511 3.329 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.191 4.920 3.602 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.495 3.546 2.376 1.00 0.00 C ATOM 0 H LEU B 84 7.754 0.631 2.949 1.00 0.00 H new ATOM 0 HA LEU B 84 7.464 3.437 3.845 1.00 0.00 H new ATOM 0 HB2 LEU B 84 6.121 3.060 1.810 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.383 1.648 2.539 1.00 0.00 H new ATOM 0 HG LEU B 84 4.353 3.080 4.275 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.382 5.528 4.008 1.00 0.00 H new ATOM 0 HD12 LEU B 84 6.009 4.878 4.321 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.547 5.364 2.673 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.710 4.175 2.795 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.812 3.953 1.416 1.00 0.00 H new ATOM 0 HD23 LEU B 84 3.113 2.535 2.233 1.00 0.00 H new ATOM 2814 N LEU B 85 6.415 2.712 6.000 1.00 0.00 N ATOM 2815 CA LEU B 85 6.022 2.252 7.327 1.00 0.00 C ATOM 2816 C LEU B 85 5.326 3.359 8.113 1.00 0.00 C ATOM 2817 O LEU B 85 5.667 4.540 7.989 1.00 0.00 O ATOM 2818 CB LEU B 85 7.243 1.747 8.099 1.00 0.00 C ATOM 2819 CG LEU B 85 6.952 1.234 9.510 1.00 0.00 C ATOM 2820 CD1 LEU B 85 5.995 0.052 9.463 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.245 0.849 10.214 1.00 0.00 C ATOM 0 H LEU B 85 6.531 3.722 5.919 1.00 0.00 H new ATOM 0 HA LEU B 85 5.316 1.431 7.200 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.709 0.945 7.527 1.00 0.00 H new ATOM 0 HB3 LEU B 85 7.971 2.556 8.166 1.00 0.00 H new ATOM 0 HG LEU B 85 6.478 2.035 10.077 1.00 0.00 H new ATOM 0 HD11 LEU B 85 5.800 -0.299 10.476 1.00 0.00 H new ATOM 0 HD12 LEU B 85 5.058 0.361 8.999 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.440 -0.754 8.879 1.00 0.00 H new ATOM 0 HD21 LEU B 85 8.019 0.486 11.217 1.00 0.00 H new ATOM 0 HD22 LEU B 85 8.747 0.064 9.649 1.00 0.00 H new ATOM 0 HD23 LEU B 85 8.896 1.721 10.282 1.00 0.00 H new ATOM 2833 N PHE B 86 4.347 2.962 8.924 1.00 0.00 N ATOM 2834 CA PHE B 86 3.586 3.900 9.743 1.00 0.00 C ATOM 2835 C PHE B 86 2.505 3.164 10.528 1.00 0.00 C ATOM 2836 O PHE B 86 1.744 2.375 9.967 1.00 0.00 O ATOM 2837 CB PHE B 86 2.971 5.001 8.870 1.00 0.00 C ATOM 2838 CG PHE B 86 2.115 4.493 7.745 1.00 0.00 C ATOM 2839 CD1 PHE B 86 0.849 3.987 7.992 1.00 0.00 C ATOM 2840 CD2 PHE B 86 2.578 4.524 6.440 1.00 0.00 C ATOM 2841 CE1 PHE B 86 0.061 3.522 6.956 1.00 0.00 C ATOM 2842 CE2 PHE B 86 1.794 4.059 5.402 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.534 3.559 5.659 1.00 0.00 C ATOM 0 H PHE B 86 4.062 1.989 9.031 1.00 0.00 H new ATOM 0 HA PHE B 86 4.265 4.370 10.454 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.370 5.655 9.501 1.00 0.00 H new ATOM 0 HB3 PHE B 86 3.774 5.609 8.454 1.00 0.00 H new ATOM 0 HD1 PHE B 86 0.474 3.956 9.004 1.00 0.00 H new ATOM 0 HD2 PHE B 86 3.563 4.916 6.232 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -0.924 3.130 7.161 1.00 0.00 H new ATOM 0 HE2 PHE B 86 2.167 4.087 4.389 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.081 3.197 4.848 1.00 0.00 H new ATOM 2853 N LYS B 87 2.460 3.403 11.835 1.00 0.00 N ATOM 2854 CA LYS B 87 1.490 2.739 12.700 1.00 0.00 C ATOM 2855 C LYS B 87 0.295 3.633 13.010 1.00 0.00 C ATOM 2856 O LYS B 87 0.291 4.822 12.695 1.00 0.00 O ATOM 2857 CB LYS B 87 2.166 2.281 13.993 1.00 0.00 C ATOM 2858 CG LYS B 87 2.563 3.416 14.922 1.00 0.00 C ATOM 2859 CD LYS B 87 1.472 3.707 15.938 1.00 0.00 C ATOM 2860 CE LYS B 87 1.340 2.581 16.951 1.00 0.00 C ATOM 2861 NZ LYS B 87 0.312 2.879 17.985 1.00 0.00 N ATOM 0 H LYS B 87 3.083 4.050 12.318 1.00 0.00 H new ATOM 0 HA LYS B 87 1.111 1.868 12.165 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.492 1.610 14.525 1.00 0.00 H new ATOM 0 HB3 LYS B 87 3.056 1.704 13.740 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.486 3.158 15.441 1.00 0.00 H new ATOM 0 HG3 LYS B 87 2.766 4.313 14.337 1.00 0.00 H new ATOM 0 HD2 LYS B 87 1.695 4.640 16.456 1.00 0.00 H new ATOM 0 HD3 LYS B 87 0.522 3.848 15.423 1.00 0.00 H new ATOM 0 HE2 LYS B 87 1.078 1.658 16.435 1.00 0.00 H new ATOM 0 HE3 LYS B 87 2.302 2.414 17.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 0.779 3.068 18.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -0.237 3.714 17.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -0.326 2.064 18.086 1.00 0.00 H new ATOM 2875 N SER B 88 -0.723 3.036 13.626 1.00 0.00 N ATOM 2876 CA SER B 88 -1.937 3.758 13.980 1.00 0.00 C ATOM 2877 C SER B 88 -2.523 3.230 15.287 1.00 0.00 C ATOM 2878 O SER B 88 -2.569 2.022 15.516 1.00 0.00 O ATOM 2879 CB SER B 88 -2.973 3.615 12.866 1.00 0.00 C ATOM 2880 OG SER B 88 -2.448 4.041 11.621 1.00 0.00 O ATOM 0 H SER B 88 -0.728 2.051 13.890 1.00 0.00 H new ATOM 0 HA SER B 88 -1.681 4.809 14.110 1.00 0.00 H new ATOM 0 HB2 SER B 88 -3.291 2.575 12.793 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.858 4.203 13.111 1.00 0.00 H new ATOM 0 HG SER B 88 -2.371 3.272 11.018 1.00 0.00 H new ATOM 2886 N GLY B 89 -2.969 4.145 16.137 1.00 0.00 N ATOM 2887 CA GLY B 89 -3.549 3.758 17.410 1.00 0.00 C ATOM 2888 C GLY B 89 -2.595 2.946 18.263 1.00 0.00 C ATOM 2889 O GLY B 89 -1.973 3.528 19.177 1.00 0.00 O ATOM 2890 OXT GLY B 89 -2.470 1.728 18.018 1.00 0.00 O ATOM 0 H GLY B 89 -2.940 5.151 15.968 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -3.847 4.653 17.956 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -4.454 3.178 17.231 1.00 0.00 H new TER 2894 GLY B 89 ATOM 2895 N MET C 1 -5.908 -11.946 15.179 1.00 0.00 N ATOM 2896 CA MET C 1 -4.948 -11.459 14.152 1.00 0.00 C ATOM 2897 C MET C 1 -5.665 -11.100 12.855 1.00 0.00 C ATOM 2898 O MET C 1 -6.557 -11.821 12.407 1.00 0.00 O ATOM 2899 CB MET C 1 -3.909 -12.554 13.898 1.00 0.00 C ATOM 2900 CG MET C 1 -3.127 -12.949 15.140 1.00 0.00 C ATOM 2901 SD MET C 1 -2.245 -11.559 15.876 1.00 0.00 S ATOM 2902 CE MET C 1 -1.188 -11.069 14.515 1.00 0.00 C ATOM 0 H1 MET C 1 -5.444 -11.957 16.110 1.00 0.00 H new ATOM 0 H2 MET C 1 -6.733 -11.314 15.211 1.00 0.00 H new ATOM 0 H3 MET C 1 -6.218 -12.908 14.935 1.00 0.00 H new ATOM 0 HA MET C 1 -4.459 -10.556 14.517 1.00 0.00 H new ATOM 0 HB2 MET C 1 -4.412 -13.435 13.500 1.00 0.00 H new ATOM 0 HB3 MET C 1 -3.212 -12.212 13.133 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.811 -13.371 15.876 1.00 0.00 H new ATOM 0 HG3 MET C 1 -2.413 -13.732 14.882 1.00 0.00 H new ATOM 0 HE1 MET C 1 -0.393 -10.423 14.886 1.00 0.00 H new ATOM 0 HE2 MET C 1 -0.751 -11.956 14.056 1.00 0.00 H new ATOM 0 HE3 MET C 1 -1.777 -10.530 13.773 1.00 0.00 H new ATOM 2914 N LYS C 2 -5.271 -9.979 12.257 1.00 0.00 N ATOM 2915 CA LYS C 2 -5.875 -9.520 11.013 1.00 0.00 C ATOM 2916 C LYS C 2 -4.925 -8.602 10.267 1.00 0.00 C ATOM 2917 O LYS C 2 -4.488 -7.582 10.799 1.00 0.00 O ATOM 2918 CB LYS C 2 -7.190 -8.789 11.297 1.00 0.00 C ATOM 2919 CG LYS C 2 -8.244 -9.654 11.970 1.00 0.00 C ATOM 2920 CD LYS C 2 -9.497 -8.857 12.297 1.00 0.00 C ATOM 2921 CE LYS C 2 -9.200 -7.736 13.282 1.00 0.00 C ATOM 2922 NZ LYS C 2 -10.431 -6.993 13.674 1.00 0.00 N ATOM 0 H LYS C 2 -4.534 -9.372 12.616 1.00 0.00 H new ATOM 0 HA LYS C 2 -6.081 -10.391 10.391 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -6.985 -7.926 11.930 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -7.592 -8.408 10.358 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -8.502 -10.488 11.317 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -7.835 -10.081 12.885 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -9.913 -8.438 11.381 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -10.253 -9.521 12.716 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -8.729 -8.152 14.173 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -8.485 -7.043 12.838 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -10.269 -5.971 13.566 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -11.221 -7.285 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -10.663 -7.204 14.666 1.00 0.00 H new ATOM 2936 N ASP C 3 -4.608 -8.966 9.030 1.00 0.00 N ATOM 2937 CA ASP C 3 -3.709 -8.157 8.229 1.00 0.00 C ATOM 2938 C ASP C 3 -3.660 -8.610 6.774 1.00 0.00 C ATOM 2939 O ASP C 3 -3.417 -9.778 6.472 1.00 0.00 O ATOM 2940 CB ASP C 3 -2.303 -8.172 8.834 1.00 0.00 C ATOM 2941 CG ASP C 3 -1.746 -9.573 8.985 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -1.560 -10.256 7.956 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -1.494 -9.991 10.135 1.00 0.00 O ATOM 0 H ASP C 3 -4.957 -9.806 8.568 1.00 0.00 H new ATOM 0 HA ASP C 3 -4.099 -7.139 8.237 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -1.634 -7.586 8.204 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -2.327 -7.688 9.810 1.00 0.00 H new ATOM 2948 N THR C 4 -3.873 -7.651 5.882 1.00 0.00 N ATOM 2949 CA THR C 4 -3.839 -7.887 4.454 1.00 0.00 C ATOM 2950 C THR C 4 -2.407 -8.122 3.991 1.00 0.00 C ATOM 2951 O THR C 4 -1.475 -7.483 4.481 1.00 0.00 O ATOM 2952 CB THR C 4 -4.437 -6.681 3.737 1.00 0.00 C ATOM 2953 OG1 THR C 4 -5.825 -6.578 3.996 1.00 0.00 O ATOM 2954 CG2 THR C 4 -4.243 -6.699 2.235 1.00 0.00 C ATOM 0 H THR C 4 -4.075 -6.684 6.136 1.00 0.00 H new ATOM 0 HA THR C 4 -4.423 -8.777 4.218 1.00 0.00 H new ATOM 0 HB THR C 4 -3.896 -5.823 4.135 1.00 0.00 H new ATOM 0 HG1 THR C 4 -6.326 -6.781 3.179 1.00 0.00 H new ATOM 0 HG21 THR C 4 -4.696 -5.809 1.799 1.00 0.00 H new ATOM 0 HG22 THR C 4 -3.177 -6.713 2.006 1.00 0.00 H new ATOM 0 HG23 THR C 4 -4.716 -7.588 1.818 1.00 0.00 H new ATOM 2962 N GLY C 5 -2.234 -9.033 3.045 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.911 -9.325 2.532 1.00 0.00 C ATOM 2964 C GLY C 5 -0.956 -9.800 1.099 1.00 0.00 C ATOM 2965 O GLY C 5 -1.646 -10.770 0.786 1.00 0.00 O ATOM 0 H GLY C 5 -2.987 -9.576 2.623 1.00 0.00 H new ATOM 0 HA2 GLY C 5 -0.290 -8.432 2.599 1.00 0.00 H new ATOM 0 HA3 GLY C 5 -0.441 -10.088 3.153 1.00 0.00 H new ATOM 2969 N ILE C 6 -0.233 -9.111 0.222 1.00 0.00 N ATOM 2970 CA ILE C 6 -0.215 -9.468 -1.188 1.00 0.00 C ATOM 2971 C ILE C 6 0.997 -8.891 -1.910 1.00 0.00 C ATOM 2972 O ILE C 6 1.418 -7.765 -1.647 1.00 0.00 O ATOM 2973 CB ILE C 6 -1.499 -8.989 -1.903 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -1.729 -7.494 -1.664 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.708 -9.789 -1.443 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -0.833 -6.599 -2.491 1.00 0.00 C ATOM 0 H ILE C 6 0.345 -8.306 0.463 1.00 0.00 H new ATOM 0 HA ILE C 6 -0.159 -10.556 -1.227 1.00 0.00 H new ATOM 0 HB ILE C 6 -1.366 -9.152 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -2.769 -7.256 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -1.570 -7.276 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -3.599 -9.433 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -2.554 -10.844 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.839 -9.665 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -1.054 -5.555 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE C 6 0.210 -6.808 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -1.008 -6.788 -3.550 1.00 0.00 H new ATOM 2988 N GLN C 7 1.548 -9.675 -2.831 1.00 0.00 N ATOM 2989 CA GLN C 7 2.701 -9.251 -3.613 1.00 0.00 C ATOM 2990 C GLN C 7 2.264 -8.861 -5.021 1.00 0.00 C ATOM 2991 O GLN C 7 2.215 -9.697 -5.922 1.00 0.00 O ATOM 2992 CB GLN C 7 3.754 -10.363 -3.663 1.00 0.00 C ATOM 2993 CG GLN C 7 3.216 -11.703 -4.150 1.00 0.00 C ATOM 2994 CD GLN C 7 4.261 -12.812 -4.160 1.00 0.00 C ATOM 2995 OE1 GLN C 7 5.490 -12.501 -3.751 1.00 0.00 O flip ATOM 2996 NE2 GLN C 7 3.962 -13.945 -4.534 1.00 0.00 N flip ATOM 0 H GLN C 7 1.212 -10.612 -3.054 1.00 0.00 H new ATOM 0 HA GLN C 7 3.148 -8.380 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN C 7 4.568 -10.050 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN C 7 4.178 -10.493 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN C 7 2.384 -12.004 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN C 7 2.818 -11.581 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN C 7 3.010 -14.146 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN C 7 4.666 -14.683 -4.538 1.00 0.00 H new ATOM 3005 N VAL C 8 1.929 -7.588 -5.201 1.00 0.00 N ATOM 3006 CA VAL C 8 1.477 -7.096 -6.494 1.00 0.00 C ATOM 3007 C VAL C 8 2.614 -7.080 -7.511 1.00 0.00 C ATOM 3008 O VAL C 8 3.725 -6.643 -7.214 1.00 0.00 O ATOM 3009 CB VAL C 8 0.882 -5.678 -6.380 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.309 -5.224 -7.713 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.177 -5.632 -5.292 1.00 0.00 C ATOM 0 H VAL C 8 1.962 -6.880 -4.468 1.00 0.00 H new ATOM 0 HA VAL C 8 0.701 -7.781 -6.836 1.00 0.00 H new ATOM 0 HB VAL C 8 1.683 -4.991 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.105 -4.221 -7.608 1.00 0.00 H new ATOM 0 HG12 VAL C 8 1.099 -5.214 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -0.478 -5.911 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.586 -4.624 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.976 -6.333 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL C 8 0.271 -5.906 -4.337 1.00 0.00 H new ATOM 3021 N ASP C 9 2.320 -7.562 -8.715 1.00 0.00 N ATOM 3022 C ASP C 9 2.663 -8.094 -11.081 1.00 0.00 C ATOM 3023 O ASP C 9 2.006 -9.135 -11.107 1.00 0.00 O ATOM 3024 CB ASP C 9 4.467 -8.526 -9.402 1.00 0.00 C ATOM 3025 CG ASP C 9 5.537 -8.591 -10.476 1.00 0.00 C ATOM 3026 OD1 ASP C 9 6.111 -7.532 -10.806 1.00 0.00 O ATOM 3027 OD2 ASP C 9 5.799 -9.700 -10.986 1.00 0.00 O ATOM 3032 N ARG C 10 2.851 -7.330 -12.152 1.00 0.00 N ATOM 3033 CA ARG C 10 2.284 -7.680 -13.447 1.00 0.00 C ATOM 3034 C ARG C 10 2.881 -8.975 -13.983 1.00 0.00 C ATOM 3035 O ARG C 10 4.097 -9.167 -13.967 1.00 0.00 O ATOM 3036 CB ARG C 10 2.508 -6.546 -14.449 1.00 0.00 C ATOM 3037 CG ARG C 10 1.776 -5.267 -14.085 1.00 0.00 C ATOM 3038 CD ARG C 10 0.267 -5.462 -14.115 1.00 0.00 C ATOM 3039 NE ARG C 10 -0.216 -5.780 -15.456 1.00 0.00 N ATOM 3040 CZ ARG C 10 -1.493 -6.016 -15.748 1.00 0.00 C ATOM 3041 NH1 ARG C 10 -2.412 -6.000 -14.792 1.00 0.00 N ATOM 3042 NH2 ARG C 10 -1.849 -6.273 -16.999 1.00 0.00 N ATOM 0 H ARG C 10 3.392 -6.465 -12.148 1.00 0.00 H new ATOM 0 HA ARG C 10 1.213 -7.832 -13.311 1.00 0.00 H new ATOM 0 HB2 ARG C 10 3.576 -6.338 -14.518 1.00 0.00 H new ATOM 0 HB3 ARG C 10 2.183 -6.874 -15.436 1.00 0.00 H new ATOM 0 HG2 ARG C 10 2.082 -4.941 -13.091 1.00 0.00 H new ATOM 0 HG3 ARG C 10 2.056 -4.476 -14.780 1.00 0.00 H new ATOM 0 HD2 ARG C 10 -0.009 -6.264 -13.430 1.00 0.00 H new ATOM 0 HD3 ARG C 10 -0.223 -4.556 -13.758 1.00 0.00 H new ATOM 0 HE ARG C 10 0.466 -5.824 -16.214 1.00 0.00 H new ATOM 0 HH11 ARG C 10 -2.142 -5.806 -13.828 1.00 0.00 H new ATOM 0 HH12 ARG C 10 -3.389 -6.181 -15.021 1.00 0.00 H new ATOM 0 HH21 ARG C 10 -1.145 -6.290 -17.737 1.00 0.00 H new ATOM 0 HH22 ARG C 10 -2.827 -6.454 -17.224 1.00 0.00 H new ATOM 3056 N ASP C 11 2.011 -9.855 -14.464 1.00 0.00 N ATOM 3057 CA ASP C 11 2.428 -11.136 -15.018 1.00 0.00 C ATOM 3058 C ASP C 11 1.338 -11.697 -15.923 1.00 0.00 C ATOM 3059 O ASP C 11 1.126 -12.909 -15.986 1.00 0.00 O ATOM 3060 CB ASP C 11 2.733 -12.133 -13.896 1.00 0.00 C ATOM 3061 CG ASP C 11 3.854 -11.666 -12.990 1.00 0.00 C ATOM 3062 OD1 ASP C 11 4.978 -11.456 -13.494 1.00 0.00 O ATOM 3063 OD2 ASP C 11 3.608 -11.506 -11.776 1.00 0.00 O ATOM 0 H ASP C 11 1.003 -9.702 -14.481 1.00 0.00 H new ATOM 0 HA ASP C 11 3.334 -10.978 -15.604 1.00 0.00 H new ATOM 0 HB2 ASP C 11 1.833 -12.292 -13.302 1.00 0.00 H new ATOM 0 HB3 ASP C 11 3.001 -13.095 -14.333 1.00 0.00 H new ATOM 3068 N LEU C 12 0.648 -10.801 -16.624 1.00 0.00 N ATOM 3069 CA LEU C 12 -0.424 -11.192 -17.533 1.00 0.00 C ATOM 3070 C LEU C 12 0.128 -11.526 -18.918 1.00 0.00 C ATOM 3071 O LEU C 12 -0.374 -11.039 -19.931 1.00 0.00 O ATOM 3072 CB LEU C 12 -1.471 -10.077 -17.635 1.00 0.00 C ATOM 3073 CG LEU C 12 -2.223 -9.770 -16.336 1.00 0.00 C ATOM 3074 CD1 LEU C 12 -1.272 -9.239 -15.273 1.00 0.00 C ATOM 3075 CD2 LEU C 12 -3.348 -8.777 -16.594 1.00 0.00 C ATOM 0 H LEU C 12 0.814 -9.796 -16.579 1.00 0.00 H new ATOM 0 HA LEU C 12 -0.900 -12.086 -17.130 1.00 0.00 H new ATOM 0 HB2 LEU C 12 -0.977 -9.166 -17.975 1.00 0.00 H new ATOM 0 HB3 LEU C 12 -2.197 -10.351 -18.401 1.00 0.00 H new ATOM 0 HG LEU C 12 -2.660 -10.698 -15.966 1.00 0.00 H new ATOM 0 HD11 LEU C 12 -1.828 -9.028 -14.360 1.00 0.00 H new ATOM 0 HD12 LEU C 12 -0.504 -9.985 -15.066 1.00 0.00 H new ATOM 0 HD13 LEU C 12 -0.801 -8.323 -15.631 1.00 0.00 H new ATOM 0 HD21 LEU C 12 -3.872 -8.570 -15.661 1.00 0.00 H new ATOM 0 HD22 LEU C 12 -2.932 -7.851 -16.990 1.00 0.00 H new ATOM 0 HD23 LEU C 12 -4.047 -9.199 -17.317 1.00 0.00 H new ATOM 3087 N ASP C 13 1.165 -12.358 -18.952 1.00 0.00 N ATOM 3088 CA ASP C 13 1.790 -12.757 -20.210 1.00 0.00 C ATOM 3089 C ASP C 13 2.459 -14.122 -20.071 1.00 0.00 C ATOM 3090 O ASP C 13 2.347 -14.971 -20.956 1.00 0.00 O ATOM 3091 CB ASP C 13 2.829 -11.720 -20.654 1.00 0.00 C ATOM 3092 CG ASP C 13 2.225 -10.356 -20.924 1.00 0.00 C ATOM 3093 OD1 ASP C 13 1.744 -9.715 -19.967 1.00 0.00 O ATOM 3094 OD2 ASP C 13 2.233 -9.925 -22.099 1.00 0.00 O ATOM 0 H ASP C 13 1.591 -12.770 -18.122 1.00 0.00 H new ATOM 0 HA ASP C 13 1.007 -12.820 -20.965 1.00 0.00 H new ATOM 0 HB2 ASP C 13 3.594 -11.627 -19.883 1.00 0.00 H new ATOM 0 HB3 ASP C 13 3.327 -12.076 -21.556 1.00 0.00 H new ATOM 3099 N GLY C 14 3.156 -14.325 -18.958 1.00 0.00 N ATOM 3100 CA GLY C 14 3.836 -15.585 -18.724 1.00 0.00 C ATOM 3101 C GLY C 14 4.943 -15.837 -19.728 1.00 0.00 C ATOM 3102 O GLY C 14 5.188 -16.979 -20.121 1.00 0.00 O ATOM 0 H GLY C 14 3.262 -13.637 -18.212 1.00 0.00 H new ATOM 0 HA2 GLY C 14 4.254 -15.588 -17.717 1.00 0.00 H new ATOM 0 HA3 GLY C 14 3.113 -16.400 -18.771 1.00 0.00 H new ATOM 3106 N LYS C 15 5.617 -14.767 -20.133 1.00 0.00 N ATOM 3107 CA LYS C 15 6.712 -14.855 -21.094 1.00 0.00 C ATOM 3108 C LYS C 15 7.571 -13.597 -21.032 1.00 0.00 C ATOM 3109 O LYS C 15 7.050 -12.483 -20.982 1.00 0.00 O ATOM 3110 CB LYS C 15 6.175 -15.037 -22.517 1.00 0.00 C ATOM 3111 CG LYS C 15 5.355 -16.300 -22.715 1.00 0.00 C ATOM 3112 CD LYS C 15 4.926 -16.465 -24.165 1.00 0.00 C ATOM 3113 CE LYS C 15 4.070 -15.298 -24.630 1.00 0.00 C ATOM 3114 NZ LYS C 15 2.830 -15.162 -23.817 1.00 0.00 N ATOM 0 H LYS C 15 5.423 -13.820 -19.808 1.00 0.00 H new ATOM 0 HA LYS C 15 7.320 -15.722 -20.834 1.00 0.00 H new ATOM 0 HB2 LYS C 15 5.561 -14.174 -22.775 1.00 0.00 H new ATOM 0 HB3 LYS C 15 7.015 -15.050 -23.212 1.00 0.00 H new ATOM 0 HG2 LYS C 15 5.940 -17.167 -22.407 1.00 0.00 H new ATOM 0 HG3 LYS C 15 4.473 -16.266 -22.075 1.00 0.00 H new ATOM 0 HD2 LYS C 15 5.809 -16.545 -24.800 1.00 0.00 H new ATOM 0 HD3 LYS C 15 4.367 -17.394 -24.277 1.00 0.00 H new ATOM 0 HE2 LYS C 15 4.648 -14.376 -24.568 1.00 0.00 H new ATOM 0 HE3 LYS C 15 3.804 -15.437 -25.678 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 2.203 -14.458 -24.256 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 2.342 -16.079 -23.772 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 3.078 -14.854 -22.855 1.00 0.00 H new ATOM 3128 N SER C 16 8.888 -13.776 -21.035 1.00 0.00 N ATOM 3129 CA SER C 16 9.805 -12.645 -20.978 1.00 0.00 C ATOM 3130 C SER C 16 9.574 -11.704 -22.155 1.00 0.00 C ATOM 3131 O SER C 16 9.824 -12.062 -23.307 1.00 0.00 O ATOM 3132 CB SER C 16 11.254 -13.134 -20.975 1.00 0.00 C ATOM 3133 OG SER C 16 11.509 -13.968 -19.858 1.00 0.00 O ATOM 0 H SER C 16 9.342 -14.689 -21.076 1.00 0.00 H new ATOM 0 HA SER C 16 9.615 -12.099 -20.054 1.00 0.00 H new ATOM 0 HB2 SER C 16 11.458 -13.681 -21.895 1.00 0.00 H new ATOM 0 HB3 SER C 16 11.930 -12.279 -20.956 1.00 0.00 H new ATOM 0 HG SER C 16 12.441 -14.269 -19.880 1.00 0.00 H new ATOM 3139 N HIS C 17 9.098 -10.499 -21.856 1.00 0.00 N ATOM 3140 CA HIS C 17 8.832 -9.497 -22.884 1.00 0.00 C ATOM 3141 C HIS C 17 8.230 -8.239 -22.264 1.00 0.00 C ATOM 3142 O HIS C 17 8.660 -7.124 -22.557 1.00 0.00 O ATOM 3143 CB HIS C 17 7.881 -10.057 -23.947 1.00 0.00 C ATOM 3144 CG HIS C 17 7.563 -9.086 -25.040 1.00 0.00 C ATOM 3145 ND1 HIS C 17 6.379 -8.584 -25.462 1.00 0.00 N flip ATOM 3146 CD2 HIS C 17 8.526 -8.517 -25.847 1.00 0.00 C flip ATOM 3147 CE1 HIS C 17 6.645 -7.730 -26.505 1.00 0.00 C flip ATOM 3148 NE2 HIS C 17 7.948 -7.707 -26.717 1.00 0.00 N flip ATOM 0 H HIS C 17 8.888 -10.192 -20.906 1.00 0.00 H new ATOM 0 HA HIS C 17 9.779 -9.238 -23.358 1.00 0.00 H new ATOM 0 HB2 HIS C 17 8.325 -10.951 -24.385 1.00 0.00 H new ATOM 0 HB3 HIS C 17 6.953 -10.365 -23.466 1.00 0.00 H new ATOM 0 HD2 HIS C 17 9.587 -8.704 -25.779 1.00 0.00 H new ATOM 0 HE1 HIS C 17 5.908 -7.169 -27.061 1.00 0.00 H new ATOM 0 HE2 HIS C 17 8.427 -7.158 -27.431 1.00 0.00 H new ATOM 3157 N LYS C 18 7.234 -8.429 -21.402 1.00 0.00 N ATOM 3158 CA LYS C 18 6.571 -7.312 -20.735 1.00 0.00 C ATOM 3159 C LYS C 18 5.855 -7.784 -19.474 1.00 0.00 C ATOM 3160 O LYS C 18 6.400 -7.571 -18.370 1.00 0.00 O ATOM 3161 CB LYS C 18 5.564 -6.643 -21.676 1.00 0.00 C ATOM 3162 CG LYS C 18 6.192 -6.057 -22.932 1.00 0.00 C ATOM 3163 CD LYS C 18 5.159 -5.335 -23.784 1.00 0.00 C ATOM 3164 CE LYS C 18 4.049 -6.271 -24.230 1.00 0.00 C ATOM 3165 NZ LYS C 18 3.033 -5.572 -25.064 1.00 0.00 N ATOM 3166 OXT LYS C 18 4.756 -8.364 -19.600 1.00 0.00 O ATOM 0 H LYS C 18 6.868 -9.347 -21.149 1.00 0.00 H new ATOM 0 HA LYS C 18 7.336 -6.587 -20.457 1.00 0.00 H new ATOM 0 HB2 LYS C 18 4.810 -7.375 -21.966 1.00 0.00 H new ATOM 0 HB3 LYS C 18 5.047 -5.850 -21.136 1.00 0.00 H new ATOM 0 HG2 LYS C 18 6.986 -5.363 -22.654 1.00 0.00 H new ATOM 0 HG3 LYS C 18 6.654 -6.853 -23.515 1.00 0.00 H new ATOM 0 HD2 LYS C 18 4.732 -4.508 -23.216 1.00 0.00 H new ATOM 0 HD3 LYS C 18 5.645 -4.904 -24.659 1.00 0.00 H new ATOM 0 HE2 LYS C 18 4.477 -7.097 -24.797 1.00 0.00 H new ATOM 0 HE3 LYS C 18 3.565 -6.703 -23.354 1.00 0.00 H new ATOM 0 HZ1 LYS C 18 2.293 -6.246 -25.347 1.00 0.00 H new ATOM 0 HZ2 LYS C 18 2.605 -4.799 -24.515 1.00 0.00 H new ATOM 0 HZ3 LYS C 18 3.490 -5.182 -25.913 1.00 0.00 H new TER 3180 LYS C 18 ATOM 3181 N MET D 1 -3.591 12.638 14.029 1.00 0.00 N ATOM 3182 CA MET D 1 -3.892 11.670 12.938 1.00 0.00 C ATOM 3183 C MET D 1 -3.765 12.327 11.567 1.00 0.00 C ATOM 3184 O MET D 1 -4.187 13.467 11.375 1.00 0.00 O ATOM 3185 CB MET D 1 -5.311 11.131 13.137 1.00 0.00 C ATOM 3186 CG MET D 1 -5.511 10.413 14.461 1.00 0.00 C ATOM 3187 SD MET D 1 -7.192 9.798 14.672 1.00 0.00 S ATOM 3188 CE MET D 1 -7.332 8.703 13.261 1.00 0.00 C ATOM 0 H1 MET D 1 -3.010 12.173 14.755 1.00 0.00 H new ATOM 0 H2 MET D 1 -3.072 13.451 13.639 1.00 0.00 H new ATOM 0 H3 MET D 1 -4.480 12.968 14.456 1.00 0.00 H new ATOM 0 HA MET D 1 -3.172 10.853 12.979 1.00 0.00 H new ATOM 0 HB2 MET D 1 -6.017 11.959 13.072 1.00 0.00 H new ATOM 0 HB3 MET D 1 -5.548 10.446 12.323 1.00 0.00 H new ATOM 0 HG2 MET D 1 -4.812 9.579 14.526 1.00 0.00 H new ATOM 0 HG3 MET D 1 -5.272 11.093 15.278 1.00 0.00 H new ATOM 0 HE1 MET D 1 -8.129 7.981 13.438 1.00 0.00 H new ATOM 0 HE2 MET D 1 -7.562 9.286 12.369 1.00 0.00 H new ATOM 0 HE3 MET D 1 -6.390 8.174 13.116 1.00 0.00 H new ATOM 3200 N LYS D 2 -3.182 11.601 10.619 1.00 0.00 N ATOM 3201 CA LYS D 2 -3.002 12.118 9.267 1.00 0.00 C ATOM 3202 C LYS D 2 -2.843 10.987 8.265 1.00 0.00 C ATOM 3203 O LYS D 2 -2.165 9.994 8.529 1.00 0.00 O ATOM 3204 CB LYS D 2 -1.793 13.049 9.199 1.00 0.00 C ATOM 3205 CG LYS D 2 -1.953 14.314 10.024 1.00 0.00 C ATOM 3206 CD LYS D 2 -0.765 15.245 9.851 1.00 0.00 C ATOM 3207 CE LYS D 2 -0.972 16.550 10.598 1.00 0.00 C ATOM 3208 NZ LYS D 2 -1.122 16.335 12.064 1.00 0.00 N ATOM 0 H LYS D 2 -2.827 10.655 10.761 1.00 0.00 H new ATOM 0 HA LYS D 2 -3.897 12.685 9.009 1.00 0.00 H new ATOM 0 HB2 LYS D 2 -0.910 12.510 9.543 1.00 0.00 H new ATOM 0 HB3 LYS D 2 -1.614 13.323 8.159 1.00 0.00 H new ATOM 0 HG2 LYS D 2 -2.867 14.829 9.728 1.00 0.00 H new ATOM 0 HG3 LYS D 2 -2.061 14.052 11.077 1.00 0.00 H new ATOM 0 HD2 LYS D 2 0.139 14.756 10.214 1.00 0.00 H new ATOM 0 HD3 LYS D 2 -0.613 15.450 8.791 1.00 0.00 H new ATOM 0 HE2 LYS D 2 -0.126 17.212 10.413 1.00 0.00 H new ATOM 0 HE3 LYS D 2 -1.859 17.052 10.212 1.00 0.00 H new ATOM 0 HZ1 LYS D 2 -1.091 17.252 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS D 2 -2.033 15.870 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS D 2 -0.347 15.733 12.408 1.00 0.00 H new ATOM 3222 N ASP D 3 -3.489 11.144 7.116 1.00 0.00 N ATOM 3223 CA ASP D 3 -3.439 10.134 6.072 1.00 0.00 C ATOM 3224 C ASP D 3 -2.209 10.288 5.185 1.00 0.00 C ATOM 3225 O ASP D 3 -1.955 11.356 4.628 1.00 0.00 O ATOM 3226 CB ASP D 3 -4.712 10.191 5.223 1.00 0.00 C ATOM 3227 CG ASP D 3 -4.970 11.571 4.652 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -4.147 12.479 4.892 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -5.999 11.745 3.967 1.00 0.00 O ATOM 0 H ASP D 3 -4.053 11.962 6.886 1.00 0.00 H new ATOM 0 HA ASP D 3 -3.370 9.162 6.560 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -4.632 9.473 4.407 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -5.564 9.888 5.832 1.00 0.00 H new ATOM 3234 N THR D 4 -1.459 9.200 5.049 1.00 0.00 N ATOM 3235 CA THR D 4 -0.266 9.181 4.223 1.00 0.00 C ATOM 3236 C THR D 4 -0.643 9.233 2.747 1.00 0.00 C ATOM 3237 O THR D 4 -1.687 8.715 2.348 1.00 0.00 O ATOM 3238 CB THR D 4 0.538 7.914 4.512 1.00 0.00 C ATOM 3239 OG1 THR D 4 1.802 7.961 3.873 1.00 0.00 O ATOM 3240 CG2 THR D 4 -0.155 6.650 4.055 1.00 0.00 C ATOM 0 H THR D 4 -1.663 8.312 5.508 1.00 0.00 H new ATOM 0 HA THR D 4 0.341 10.055 4.458 1.00 0.00 H new ATOM 0 HB THR D 4 0.644 7.884 5.596 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.455 8.383 4.470 1.00 0.00 H new ATOM 0 HG21 THR D 4 0.469 5.788 4.290 1.00 0.00 H new ATOM 0 HG22 THR D 4 -1.113 6.555 4.566 1.00 0.00 H new ATOM 0 HG23 THR D 4 -0.321 6.695 2.979 1.00 0.00 H new ATOM 3248 N GLY D 5 0.205 9.852 1.939 1.00 0.00 N ATOM 3249 CA GLY D 5 -0.068 9.944 0.520 1.00 0.00 C ATOM 3250 C GLY D 5 1.198 10.040 -0.303 1.00 0.00 C ATOM 3251 O GLY D 5 2.012 10.940 -0.097 1.00 0.00 O ATOM 0 H GLY D 5 1.075 10.291 2.240 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.638 9.070 0.205 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -0.691 10.818 0.328 1.00 0.00 H new ATOM 3255 N ILE D 6 1.363 9.111 -1.238 1.00 0.00 N ATOM 3256 CA ILE D 6 2.540 9.089 -2.096 1.00 0.00 C ATOM 3257 C ILE D 6 2.309 8.252 -3.346 1.00 0.00 C ATOM 3258 O ILE D 6 1.650 7.215 -3.304 1.00 0.00 O ATOM 3259 CB ILE D 6 3.782 8.555 -1.347 1.00 0.00 C ATOM 3260 CG1 ILE D 6 3.473 7.229 -0.646 1.00 0.00 C ATOM 3261 CG2 ILE D 6 4.290 9.581 -0.346 1.00 0.00 C ATOM 3262 CD1 ILE D 6 3.335 6.057 -1.590 1.00 0.00 C ATOM 0 H ILE D 6 0.695 8.362 -1.421 1.00 0.00 H new ATOM 0 HA ILE D 6 2.723 10.122 -2.392 1.00 0.00 H new ATOM 0 HB ILE D 6 4.565 8.375 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE D 6 4.266 7.015 0.071 1.00 0.00 H new ATOM 0 HG13 ILE D 6 2.549 7.336 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE D 6 5.164 9.184 0.170 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.563 10.497 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.508 9.798 0.381 1.00 0.00 H new ATOM 0 HD11 ILE D 6 3.117 5.154 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE D 6 2.523 6.248 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE D 6 4.266 5.922 -2.141 1.00 0.00 H new ATOM 3274 N GLN D 7 2.856 8.719 -4.461 1.00 0.00 N ATOM 3275 CA GLN D 7 2.718 8.021 -5.731 1.00 0.00 C ATOM 3276 C GLN D 7 4.073 7.550 -6.237 1.00 0.00 C ATOM 3277 O GLN D 7 5.033 8.318 -6.277 1.00 0.00 O ATOM 3278 CB GLN D 7 2.069 8.931 -6.774 1.00 0.00 C ATOM 3279 CG GLN D 7 2.858 10.202 -7.044 1.00 0.00 C ATOM 3280 CD GLN D 7 2.213 11.078 -8.101 1.00 0.00 C ATOM 3281 OE1 GLN D 7 2.005 10.649 -9.235 1.00 0.00 O ATOM 3282 NE2 GLN D 7 1.898 12.313 -7.732 1.00 0.00 N ATOM 0 H GLN D 7 3.400 9.580 -4.511 1.00 0.00 H new ATOM 0 HA GLN D 7 2.081 7.152 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.955 8.378 -7.707 1.00 0.00 H new ATOM 0 HB3 GLN D 7 1.067 9.199 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN D 7 2.954 10.769 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN D 7 3.866 9.938 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN D 7 2.089 12.625 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN D 7 1.465 12.950 -8.400 1.00 0.00 H new ATOM 3291 N VAL D 8 4.141 6.286 -6.628 1.00 0.00 N ATOM 3292 CA VAL D 8 5.377 5.715 -7.140 1.00 0.00 C ATOM 3293 C VAL D 8 5.114 4.975 -8.447 1.00 0.00 C ATOM 3294 O VAL D 8 4.117 4.266 -8.580 1.00 0.00 O ATOM 3295 CB VAL D 8 6.022 4.759 -6.117 1.00 0.00 C ATOM 3296 CG1 VAL D 8 7.302 4.151 -6.674 1.00 0.00 C ATOM 3297 CG2 VAL D 8 6.300 5.488 -4.812 1.00 0.00 C ATOM 0 H VAL D 8 3.355 5.637 -6.600 1.00 0.00 H new ATOM 0 HA VAL D 8 6.072 6.535 -7.322 1.00 0.00 H new ATOM 0 HB VAL D 8 5.321 3.948 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL D 8 7.738 3.480 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.074 3.591 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.011 4.946 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL D 8 6.755 4.799 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL D 8 6.980 6.320 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL D 8 5.365 5.868 -4.401 1.00 0.00 H new ATOM 3307 N ASP D 9 6.005 5.155 -9.413 1.00 0.00 N ATOM 3308 CA ASP D 9 5.857 4.511 -10.711 1.00 0.00 C ATOM 3309 C ASP D 9 7.160 4.574 -11.499 1.00 0.00 C ATOM 3310 O ASP D 9 7.632 5.656 -11.849 1.00 0.00 O ATOM 3311 CB ASP D 9 4.734 5.188 -11.502 1.00 0.00 C ATOM 3312 CG ASP D 9 4.528 4.575 -12.874 1.00 0.00 C ATOM 3313 OD1 ASP D 9 4.169 3.382 -12.945 1.00 0.00 O ATOM 3314 OD2 ASP D 9 4.728 5.289 -13.880 1.00 0.00 O ATOM 0 H ASP D 9 6.836 5.740 -9.323 1.00 0.00 H new ATOM 0 HA ASP D 9 5.604 3.463 -10.550 1.00 0.00 H new ATOM 0 HB2 ASP D 9 3.805 5.120 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP D 9 4.962 6.248 -11.613 1.00 0.00 H new ATOM 3319 N ARG D 10 7.735 3.410 -11.777 1.00 0.00 N ATOM 3320 CA ARG D 10 8.985 3.342 -12.527 1.00 0.00 C ATOM 3321 C ARG D 10 9.389 1.899 -12.810 1.00 0.00 C ATOM 3322 O ARG D 10 9.889 1.586 -13.890 1.00 0.00 O ATOM 3323 CB ARG D 10 10.098 4.059 -11.762 1.00 0.00 C ATOM 3324 CG ARG D 10 10.329 3.505 -10.369 1.00 0.00 C ATOM 3325 CD ARG D 10 11.400 4.288 -9.629 1.00 0.00 C ATOM 3326 NE ARG D 10 12.687 4.244 -10.319 1.00 0.00 N ATOM 3327 CZ ARG D 10 13.785 4.854 -9.881 1.00 0.00 C ATOM 3328 NH1 ARG D 10 13.757 5.556 -8.754 1.00 0.00 N ATOM 3329 NH2 ARG D 10 14.915 4.764 -10.569 1.00 0.00 N ATOM 0 H ARG D 10 7.359 2.504 -11.496 1.00 0.00 H new ATOM 0 HA ARG D 10 8.828 3.839 -13.484 1.00 0.00 H new ATOM 0 HB2 ARG D 10 11.025 3.986 -12.332 1.00 0.00 H new ATOM 0 HB3 ARG D 10 9.852 5.118 -11.687 1.00 0.00 H new ATOM 0 HG2 ARG D 10 9.397 3.538 -9.804 1.00 0.00 H new ATOM 0 HG3 ARG D 10 10.624 2.458 -10.437 1.00 0.00 H new ATOM 0 HD2 ARG D 10 11.082 5.325 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG D 10 11.514 3.884 -8.623 1.00 0.00 H new ATOM 0 HE ARG D 10 12.747 3.714 -11.188 1.00 0.00 H new ATOM 0 HH11 ARG D 10 12.891 5.629 -8.220 1.00 0.00 H new ATOM 0 HH12 ARG D 10 14.602 6.022 -8.422 1.00 0.00 H new ATOM 0 HH21 ARG D 10 14.943 4.226 -11.435 1.00 0.00 H new ATOM 0 HH22 ARG D 10 15.756 5.232 -10.232 1.00 0.00 H new ATOM 3343 N ASP D 11 9.172 1.027 -11.832 1.00 0.00 N ATOM 3344 CA ASP D 11 9.516 -0.386 -11.972 1.00 0.00 C ATOM 3345 C ASP D 11 11.021 -0.570 -12.054 1.00 0.00 C ATOM 3346 O ASP D 11 11.526 -1.247 -12.950 1.00 0.00 O ATOM 3347 CB ASP D 11 8.846 -0.986 -13.213 1.00 0.00 C ATOM 3348 CG ASP D 11 7.345 -0.783 -13.220 1.00 0.00 C ATOM 3349 OD1 ASP D 11 6.904 0.384 -13.244 1.00 0.00 O ATOM 3350 OD2 ASP D 11 6.609 -1.792 -13.199 1.00 0.00 O ATOM 0 H ASP D 11 8.759 1.272 -10.932 1.00 0.00 H new ATOM 0 HA ASP D 11 9.150 -0.909 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP D 11 9.274 -0.533 -14.107 1.00 0.00 H new ATOM 0 HB3 ASP D 11 9.065 -2.053 -13.260 1.00 0.00 H new ATOM 3355 N LEU D 12 11.740 0.046 -11.118 1.00 0.00 N ATOM 3356 CA LEU D 12 13.196 -0.038 -11.086 1.00 0.00 C ATOM 3357 C LEU D 12 13.812 0.750 -12.238 1.00 0.00 C ATOM 3358 O LEU D 12 14.924 1.266 -12.124 1.00 0.00 O ATOM 3359 CB LEU D 12 13.662 -1.497 -11.146 1.00 0.00 C ATOM 3360 CG LEU D 12 13.084 -2.413 -10.065 1.00 0.00 C ATOM 3361 CD1 LEU D 12 13.542 -3.848 -10.283 1.00 0.00 C ATOM 3362 CD2 LEU D 12 13.489 -1.927 -8.678 1.00 0.00 C ATOM 0 H LEU D 12 11.335 0.610 -10.370 1.00 0.00 H new ATOM 0 HA LEU D 12 13.531 0.398 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU D 12 13.401 -1.905 -12.122 1.00 0.00 H new ATOM 0 HB3 LEU D 12 14.749 -1.517 -11.073 1.00 0.00 H new ATOM 0 HG LEU D 12 11.997 -2.384 -10.134 1.00 0.00 H new ATOM 0 HD11 LEU D 12 13.122 -4.486 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU D 12 13.202 -4.194 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU D 12 14.630 -3.893 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU D 12 13.069 -2.591 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU D 12 14.576 -1.926 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU D 12 13.112 -0.916 -8.522 1.00 0.00 H new ATOM 3374 N ASP D 13 13.084 0.840 -13.351 1.00 0.00 N ATOM 3375 CA ASP D 13 13.564 1.567 -14.521 1.00 0.00 C ATOM 3376 C ASP D 13 14.831 0.925 -15.080 1.00 0.00 C ATOM 3377 O ASP D 13 15.656 0.402 -14.331 1.00 0.00 O ATOM 3378 CB ASP D 13 13.827 3.034 -14.173 1.00 0.00 C ATOM 3379 CG ASP D 13 14.413 3.810 -15.337 1.00 0.00 C ATOM 3380 OD1 ASP D 13 13.789 3.818 -16.416 1.00 0.00 O ATOM 3381 OD2 ASP D 13 15.496 4.408 -15.166 1.00 0.00 O ATOM 0 H ASP D 13 12.162 0.419 -13.465 1.00 0.00 H new ATOM 0 HA ASP D 13 12.788 1.521 -15.286 1.00 0.00 H new ATOM 0 HB2 ASP D 13 12.894 3.503 -13.861 1.00 0.00 H new ATOM 0 HB3 ASP D 13 14.510 3.086 -13.325 1.00 0.00 H new ATOM 3386 N GLY D 14 14.979 0.970 -16.401 1.00 0.00 N ATOM 3387 CA GLY D 14 16.147 0.389 -17.033 1.00 0.00 C ATOM 3388 C GLY D 14 16.301 0.802 -18.484 1.00 0.00 C ATOM 3389 O GLY D 14 17.398 1.157 -18.917 1.00 0.00 O ATOM 0 H GLY D 14 14.312 1.398 -17.043 1.00 0.00 H new ATOM 0 HA2 GLY D 14 17.038 0.685 -16.480 1.00 0.00 H new ATOM 0 HA3 GLY D 14 16.082 -0.698 -16.975 1.00 0.00 H new ATOM 3393 N LYS D 15 15.207 0.752 -19.241 1.00 0.00 N ATOM 3394 CA LYS D 15 15.245 1.120 -20.655 1.00 0.00 C ATOM 3395 C LYS D 15 13.852 1.476 -21.178 1.00 0.00 C ATOM 3396 O LYS D 15 13.384 0.896 -22.160 1.00 0.00 O ATOM 3397 CB LYS D 15 15.825 -0.027 -21.492 1.00 0.00 C ATOM 3398 CG LYS D 15 17.254 -0.397 -21.127 1.00 0.00 C ATOM 3399 CD LYS D 15 17.784 -1.511 -22.017 1.00 0.00 C ATOM 3400 CE LYS D 15 17.794 -1.103 -23.482 1.00 0.00 C ATOM 3401 NZ LYS D 15 18.335 -2.181 -24.356 1.00 0.00 N ATOM 0 H LYS D 15 14.289 0.463 -18.902 1.00 0.00 H new ATOM 0 HA LYS D 15 15.884 1.998 -20.746 1.00 0.00 H new ATOM 0 HB2 LYS D 15 15.191 -0.906 -21.374 1.00 0.00 H new ATOM 0 HB3 LYS D 15 15.790 0.252 -22.545 1.00 0.00 H new ATOM 0 HG2 LYS D 15 17.894 0.481 -21.220 1.00 0.00 H new ATOM 0 HG3 LYS D 15 17.295 -0.712 -20.084 1.00 0.00 H new ATOM 0 HD2 LYS D 15 18.795 -1.776 -21.706 1.00 0.00 H new ATOM 0 HD3 LYS D 15 17.168 -2.402 -21.891 1.00 0.00 H new ATOM 0 HE2 LYS D 15 16.780 -0.855 -23.797 1.00 0.00 H new ATOM 0 HE3 LYS D 15 18.395 -0.202 -23.604 1.00 0.00 H new ATOM 0 HZ1 LYS D 15 18.325 -1.863 -25.346 1.00 0.00 H new ATOM 0 HZ2 LYS D 15 19.311 -2.400 -24.073 1.00 0.00 H new ATOM 0 HZ3 LYS D 15 17.747 -3.034 -24.260 1.00 0.00 H new ATOM 3415 N SER D 16 13.193 2.430 -20.528 1.00 0.00 N ATOM 3416 CA SER D 16 11.859 2.848 -20.951 1.00 0.00 C ATOM 3417 C SER D 16 11.380 4.070 -20.174 1.00 0.00 C ATOM 3418 O SER D 16 10.983 5.074 -20.766 1.00 0.00 O ATOM 3419 CB SER D 16 10.866 1.698 -20.775 1.00 0.00 C ATOM 3420 OG SER D 16 10.794 1.288 -19.422 1.00 0.00 O ATOM 0 H SER D 16 13.556 2.925 -19.713 1.00 0.00 H new ATOM 0 HA SER D 16 11.917 3.121 -22.005 1.00 0.00 H new ATOM 0 HB2 SER D 16 9.879 2.010 -21.116 1.00 0.00 H new ATOM 0 HB3 SER D 16 11.167 0.856 -21.398 1.00 0.00 H new ATOM 0 HG SER D 16 10.189 1.883 -18.932 1.00 0.00 H new ATOM 3426 N HIS D 17 11.413 3.980 -18.849 1.00 0.00 N ATOM 3427 CA HIS D 17 10.973 5.082 -18.000 1.00 0.00 C ATOM 3428 C HIS D 17 12.004 6.207 -17.978 1.00 0.00 C ATOM 3429 O HIS D 17 11.657 7.382 -18.095 1.00 0.00 O ATOM 3430 CB HIS D 17 10.702 4.586 -16.580 1.00 0.00 C ATOM 3431 CG HIS D 17 9.596 3.579 -16.498 1.00 0.00 C ATOM 3432 ND1 HIS D 17 9.656 2.340 -17.105 1.00 0.00 N ATOM 3433 CD2 HIS D 17 8.391 3.634 -15.882 1.00 0.00 C ATOM 3434 CE1 HIS D 17 8.537 1.680 -16.865 1.00 0.00 C ATOM 3435 NE2 HIS D 17 7.754 2.442 -16.125 1.00 0.00 N ATOM 0 H HIS D 17 11.739 3.158 -18.340 1.00 0.00 H new ATOM 0 HA HIS D 17 10.048 5.478 -18.418 1.00 0.00 H new ATOM 0 HB2 HIS D 17 11.614 4.145 -16.178 1.00 0.00 H new ATOM 0 HB3 HIS D 17 10.454 5.438 -15.947 1.00 0.00 H new ATOM 0 HD2 HIS D 17 8.003 4.462 -15.307 1.00 0.00 H new ATOM 0 HE1 HIS D 17 8.303 0.686 -17.215 1.00 0.00 H new ATOM 0 HE2 HIS D 17 6.826 2.187 -15.788 1.00 0.00 H new ATOM 3444 N LYS D 18 13.272 5.839 -17.824 1.00 0.00 N ATOM 3445 CA LYS D 18 14.357 6.813 -17.783 1.00 0.00 C ATOM 3446 C LYS D 18 15.681 6.167 -18.180 1.00 0.00 C ATOM 3447 O LYS D 18 15.960 5.049 -17.701 1.00 0.00 O ATOM 3448 CB LYS D 18 14.482 7.418 -16.381 1.00 0.00 C ATOM 3449 CG LYS D 18 13.281 8.249 -15.958 1.00 0.00 C ATOM 3450 CD LYS D 18 13.098 9.462 -16.856 1.00 0.00 C ATOM 3451 CE LYS D 18 11.884 10.280 -16.447 1.00 0.00 C ATOM 3452 NZ LYS D 18 11.995 10.779 -15.049 1.00 0.00 N ATOM 3453 OXT LYS D 18 16.425 6.785 -18.971 1.00 0.00 O ATOM 0 H LYS D 18 13.574 4.870 -17.725 1.00 0.00 H new ATOM 0 HA LYS D 18 14.123 7.604 -18.495 1.00 0.00 H new ATOM 0 HB2 LYS D 18 14.626 6.613 -15.660 1.00 0.00 H new ATOM 0 HB3 LYS D 18 15.375 8.043 -16.344 1.00 0.00 H new ATOM 0 HG2 LYS D 18 12.382 7.633 -15.989 1.00 0.00 H new ATOM 0 HG3 LYS D 18 13.408 8.575 -14.926 1.00 0.00 H new ATOM 0 HD2 LYS D 18 13.990 10.086 -16.812 1.00 0.00 H new ATOM 0 HD3 LYS D 18 12.987 9.137 -17.890 1.00 0.00 H new ATOM 0 HE2 LYS D 18 11.770 11.125 -17.126 1.00 0.00 H new ATOM 0 HE3 LYS D 18 10.986 9.670 -16.544 1.00 0.00 H new ATOM 0 HZ1 LYS D 18 11.268 11.504 -14.880 1.00 0.00 H new ATOM 0 HZ2 LYS D 18 11.857 9.989 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS D 18 12.938 11.193 -14.902 1.00 0.00 H new TER 3467 LYS D 18