USER MOD reduce.3.24.130724 H: found=0, std=0, add=1436, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 1436 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 51 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Set 1.2: B 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0167) USER MOD Set 2.1: B 77 TYR OH : rot 56:sc= 0.957 USER MOD Set 2.2: B 80 GLN :FLIP amide:sc= -2.56 F(o=-5.4!,f=-1.6) USER MOD Set 3.1: B 68 HIS : no HD1:sc= -1.78! C(o=-6!,f=-7.2!) USER MOD Set 3.2: B 72 HIS : no HD1:sc= -4.24! C(o=-6!,f=-7.3!) USER MOD Set 4.1: A 67 THR OG1 : rot 157:sc= 0.874 USER MOD Set 4.2: B 53 THR OG1 : rot 140:sc= 1.02 USER MOD Set 5.1: A 65 TYR OH : rot 165:sc= 0 USER MOD Set 5.2: B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 53 THR OG1 : rot 69:sc= -1.71 USER MOD Set 6.2: A 55 HIS : no HE2:sc= -10.3! C(o=-19!,f=-22!) USER MOD Set 6.3: A 88 SER OG : rot -173:sc= 0.177 USER MOD Set 6.4: B 55 HIS :FLIP no HE2:sc= -7.49! C(o=-22!,f=-19!) USER MOD Set 6.5: B 88 SER OG : rot 100:sc= 0.443 USER MOD Set 7.1: A 51 ASN :FLIP amide:sc= -1.47 F(o=-7!,f=-3.3) USER MOD Set 7.2: A 72 HIS : no HE2:sc= -0.569 K(o=-3.3,f=-7.1!) USER MOD Set 7.3: A 87 LYS NZ :NH3+ -169:sc= -1.29 (180deg=0) USER MOD Set 8.1: A 24 CYS SG : rot 180:sc= 0 USER MOD Set 8.2: A 49 LYS NZ :NH3+ -146:sc= -0.498 (180deg=-1.44!) USER MOD Set 8.3: A 50 TYR OH : rot -163:sc= -0.0971 USER MOD Set 9.1: A 32 TYR OH : rot 180:sc= 0.459 USER MOD Set 9.2: A 41 HIS : no HE2:sc= -18! C(o=-18!,f=-21!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.685 (180deg=0.321) USER MOD Single : A 2 CYS SG : rot -30:sc= 0.188 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 13 MET CE :methyl 144:sc= -1.02 (180deg=-2.11!) USER MOD Single : A 14 SER OG : rot 159:sc= -5.51! USER MOD Single : A 17 MET CE :methyl 163:sc= -3.74 (180deg=-5.38!) USER MOD Single : A 18 GLN :FLIP amide:sc= -8.35! C(o=-15!,f=-8.3!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.529 F(o=-4.2!,f=-0.53) USER MOD Single : A 21 SER OG : rot -79:sc= -6.31! USER MOD Single : A 26 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 27 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0208) USER MOD Single : A 33 ASN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= 0.00178 (180deg=0) 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 56 CYS SG : rot -75:sc= -8.77! USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0212 F(o=-3!,f=-0.021) USER MOD Single : A 64 SER OG : rot -127:sc= 0.385 USER MOD Single : A 68 HIS : no HD1:sc= -3.96! C(o=-4!,f=-8.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -32:sc= 0.106 USER MOD Single : A 77 TYR OH : rot 7:sc= -4.18! USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -136:sc=-0.00775 (180deg=-0.268) USER MOD Single : B 2 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 157:sc= -0.907 (180deg=-2.57!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN :FLIP amide:sc= -0.0027 F(o=-0.86,f=-0.0027) USER MOD Single : B 13 MET CE :methyl -105:sc= -1.12 (180deg=-2.59!) USER MOD Single : B 14 SER OG : rot 180:sc= 0.0354 USER MOD Single : B 17 MET CE :methyl 149:sc= -6.24! (180deg=-9.53!) USER MOD Single : B 18 GLN : amide:sc= -21.5! C(o=-22!,f=-22!) USER MOD Single : B 19 GLN : amide:sc= -1.54 K(o=-1.5,f=-7.4!) USER MOD Single : B 21 SER OG : rot 61:sc= -6.05! USER MOD Single : B 24 CYS SG : rot -176:sc= -2.74! USER MOD Single : B 26 THR OG1 : rot 66:sc= 0.568 USER MOD Single : B 27 GLN : amide:sc= -0.0739 X(o=-0.074,f=-0.00033) USER MOD Single : B 31 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.016) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 LYS NZ :NH3+ -164:sc= -0.184 (180deg=-0.597) USER MOD Single : B 41 HIS : no HD1:sc= -21.9! C(o=-22!,f=-23!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 165:sc= -3.63! USER MOD Single : B 56 CYS SG : rot 104:sc= -7.32! USER MOD Single : B 61 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : B 64 SER OG : rot 144:sc= 1.14 USER MOD Single : B 65 TYR OH : rot 30:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 THR OG1 : rot 170:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 TYR OH : rot -143:sc= -0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.494 8.596 -0.570 1.00 0.00 N ATOM 2 CA MET A 1 -23.203 8.375 0.870 1.00 0.00 C ATOM 3 C MET A 1 -24.237 7.450 1.508 1.00 0.00 C ATOM 4 O MET A 1 -25.352 7.307 1.005 1.00 0.00 O ATOM 5 CB MET A 1 -23.197 9.730 1.579 1.00 0.00 C ATOM 6 CG MET A 1 -24.581 10.223 1.969 1.00 0.00 C ATOM 7 SD MET A 1 -25.493 10.908 0.572 1.00 0.00 S ATOM 8 CE MET A 1 -26.663 11.968 1.418 1.00 0.00 C ATOM 0 H1 MET A 1 -22.622 8.878 -1.061 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.858 7.717 -0.989 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.206 9.348 -0.669 1.00 0.00 H new ATOM 0 HA MET A 1 -22.230 7.894 0.968 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.581 9.658 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.728 10.468 0.928 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.149 9.398 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.487 10.983 2.744 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.300 12.464 0.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.279 11.368 2.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.123 12.718 1.995 1.00 0.00 H new ATOM 20 N CYS A 2 -23.860 6.830 2.621 1.00 0.00 N ATOM 21 CA CYS A 2 -24.751 5.922 3.333 1.00 0.00 C ATOM 22 C CYS A 2 -23.998 5.171 4.425 1.00 0.00 C ATOM 23 O CYS A 2 -24.604 4.532 5.286 1.00 0.00 O ATOM 24 CB CYS A 2 -25.388 4.927 2.362 1.00 0.00 C ATOM 25 SG CYS A 2 -26.589 3.814 3.128 1.00 0.00 S ATOM 0 H CYS A 2 -22.941 6.940 3.050 1.00 0.00 H new ATOM 0 HA CYS A 2 -25.538 6.516 3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -25.880 5.481 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -24.600 4.332 1.900 1.00 0.00 H new ATOM 0 HG CYS A 2 -26.263 3.612 4.370 1.00 0.00 H new ATOM 31 N ASP A 3 -22.672 5.251 4.384 1.00 0.00 N ATOM 32 CA ASP A 3 -21.835 4.580 5.370 1.00 0.00 C ATOM 33 C ASP A 3 -20.778 5.531 5.924 1.00 0.00 C ATOM 34 O ASP A 3 -20.947 6.102 7.000 1.00 0.00 O ATOM 35 CB ASP A 3 -21.158 3.359 4.745 1.00 0.00 C ATOM 36 CG ASP A 3 -20.557 2.436 5.787 1.00 0.00 C ATOM 37 OD1 ASP A 3 -19.616 2.864 6.488 1.00 0.00 O ATOM 38 OD2 ASP A 3 -21.029 1.285 5.903 1.00 0.00 O ATOM 0 H ASP A 3 -22.154 5.774 3.678 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.473 4.255 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.887 2.807 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.376 3.690 4.062 1.00 0.00 H new ATOM 43 N ARG A 4 -19.690 5.695 5.179 1.00 0.00 N ATOM 44 CA ARG A 4 -18.606 6.576 5.594 1.00 0.00 C ATOM 45 C ARG A 4 -17.846 5.989 6.778 1.00 0.00 C ATOM 46 O ARG A 4 -17.010 5.100 6.612 1.00 0.00 O ATOM 47 CB ARG A 4 -19.158 7.956 5.959 1.00 0.00 C ATOM 48 CG ARG A 4 -20.386 8.351 5.155 1.00 0.00 C ATOM 49 CD ARG A 4 -20.086 9.496 4.200 1.00 0.00 C ATOM 50 NE ARG A 4 -18.970 10.320 4.659 1.00 0.00 N ATOM 51 CZ ARG A 4 -19.094 11.299 5.549 1.00 0.00 C ATOM 52 NH1 ARG A 4 -20.279 11.569 6.081 1.00 0.00 N ATOM 53 NH2 ARG A 4 -18.033 12.010 5.909 1.00 0.00 N ATOM 0 H ARG A 4 -19.536 5.229 4.285 1.00 0.00 H new ATOM 0 HA ARG A 4 -17.913 6.677 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.409 7.969 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.378 8.702 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -20.744 7.490 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -21.187 8.643 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -19.856 9.093 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -20.974 10.118 4.091 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.044 10.133 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -21.097 11.025 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -20.372 12.321 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -17.120 11.806 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -18.130 12.761 6.592 1.00 0.00 H new ATOM 67 N LYS A 5 -18.139 6.491 7.974 1.00 0.00 N ATOM 68 CA LYS A 5 -17.480 6.017 9.185 1.00 0.00 C ATOM 69 C LYS A 5 -15.978 6.268 9.113 1.00 0.00 C ATOM 70 O LYS A 5 -15.185 5.521 9.685 1.00 0.00 O ATOM 71 CB LYS A 5 -17.751 4.527 9.391 1.00 0.00 C ATOM 72 CG LYS A 5 -18.903 4.246 10.343 1.00 0.00 C ATOM 73 CD LYS A 5 -18.546 4.615 11.773 1.00 0.00 C ATOM 74 CE LYS A 5 -17.957 3.432 12.523 1.00 0.00 C ATOM 75 NZ LYS A 5 -18.493 3.331 13.909 1.00 0.00 N ATOM 0 H LYS A 5 -18.829 7.226 8.130 1.00 0.00 H new ATOM 0 HA LYS A 5 -17.886 6.570 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.967 4.068 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -16.849 4.051 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -19.782 4.810 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.168 3.190 10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.831 5.438 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.437 4.969 12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.177 2.512 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.872 3.529 12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.067 2.512 14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.261 4.198 14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.526 3.213 13.874 1.00 0.00 H new ATOM 89 N ALA A 6 -15.596 7.323 8.402 1.00 0.00 N ATOM 90 CA ALA A 6 -14.191 7.676 8.249 1.00 0.00 C ATOM 91 C ALA A 6 -13.929 9.113 8.680 1.00 0.00 C ATOM 92 O ALA A 6 -14.762 9.744 9.331 1.00 0.00 O ATOM 93 CB ALA A 6 -13.752 7.474 6.808 1.00 0.00 C ATOM 0 H ALA A 6 -16.242 7.949 7.922 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.609 7.019 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.700 7.741 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.889 6.429 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.351 8.106 6.153 1.00 0.00 H new ATOM 99 N VAL A 7 -12.761 9.622 8.303 1.00 0.00 N ATOM 100 CA VAL A 7 -12.370 10.985 8.636 1.00 0.00 C ATOM 101 C VAL A 7 -11.351 11.507 7.632 1.00 0.00 C ATOM 102 O VAL A 7 -10.164 11.617 7.938 1.00 0.00 O ATOM 103 CB VAL A 7 -11.772 11.072 10.054 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.247 12.472 10.329 1.00 0.00 C ATOM 105 CG2 VAL A 7 -12.805 10.666 11.094 1.00 0.00 C ATOM 0 H VAL A 7 -12.066 9.107 7.763 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.271 11.598 8.599 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.934 10.378 10.118 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.829 12.513 11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.472 12.719 9.604 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.063 13.190 10.246 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.365 10.733 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.665 11.332 11.032 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.125 9.641 10.908 1.00 0.00 H new ATOM 115 N ILE A 8 -11.820 11.818 6.429 1.00 0.00 N ATOM 116 CA ILE A 8 -10.946 12.318 5.376 1.00 0.00 C ATOM 117 C ILE A 8 -9.942 13.322 5.937 1.00 0.00 C ATOM 118 O ILE A 8 -10.157 13.916 6.993 1.00 0.00 O ATOM 119 CB ILE A 8 -11.767 12.954 4.220 1.00 0.00 C ATOM 120 CG1 ILE A 8 -12.035 11.908 3.136 1.00 0.00 C ATOM 121 CG2 ILE A 8 -11.064 14.165 3.611 1.00 0.00 C ATOM 122 CD1 ILE A 8 -13.344 11.169 3.315 1.00 0.00 C ATOM 0 H ILE A 8 -12.800 11.733 6.159 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.395 11.470 4.970 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.710 13.302 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.035 12.398 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.218 11.186 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.676 14.575 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.917 14.925 4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.097 13.861 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.466 10.444 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.341 10.650 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.170 11.880 3.291 1.00 0.00 H new ATOM 134 N LYS A 9 -8.848 13.502 5.210 1.00 0.00 N ATOM 135 CA LYS A 9 -7.798 14.428 5.609 1.00 0.00 C ATOM 136 C LYS A 9 -6.991 14.859 4.393 1.00 0.00 C ATOM 137 O LYS A 9 -6.195 15.794 4.458 1.00 0.00 O ATOM 138 CB LYS A 9 -6.873 13.781 6.642 1.00 0.00 C ATOM 139 CG LYS A 9 -7.560 12.741 7.513 1.00 0.00 C ATOM 140 CD LYS A 9 -7.684 13.216 8.952 1.00 0.00 C ATOM 141 CE LYS A 9 -7.965 12.059 9.898 1.00 0.00 C ATOM 142 NZ LYS A 9 -7.940 12.491 11.324 1.00 0.00 N ATOM 0 H LYS A 9 -8.664 13.014 4.333 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.265 15.304 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.036 13.312 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.457 14.559 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.551 12.526 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.995 11.809 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.764 13.717 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.486 13.951 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.939 11.628 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.224 11.275 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.136 11.674 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.003 12.879 11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.664 13.221 11.478 1.00 0.00 H new ATOM 156 N ASN A 10 -7.205 14.159 3.284 1.00 0.00 N ATOM 157 CA ASN A 10 -6.501 14.455 2.043 1.00 0.00 C ATOM 158 C ASN A 10 -7.119 13.685 0.882 1.00 0.00 C ATOM 159 O ASN A 10 -6.686 12.579 0.560 1.00 0.00 O ATOM 160 CB ASN A 10 -5.024 14.089 2.179 1.00 0.00 C ATOM 161 CG ASN A 10 -4.104 15.244 1.834 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.237 15.621 2.624 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.289 15.813 0.648 1.00 0.00 N ATOM 0 H ASN A 10 -7.862 13.381 3.220 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.589 15.523 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.826 13.764 3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.801 13.244 1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.701 16.595 0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.019 15.468 0.025 1.00 0.00 H new ATOM 170 N ALA A 11 -8.137 14.270 0.262 1.00 0.00 N ATOM 171 CA ALA A 11 -8.813 13.625 -0.855 1.00 0.00 C ATOM 172 C ALA A 11 -8.807 14.500 -2.103 1.00 0.00 C ATOM 173 O ALA A 11 -9.671 15.361 -2.275 1.00 0.00 O ATOM 174 CB ALA A 11 -10.239 13.265 -0.470 1.00 0.00 C ATOM 0 H ALA A 11 -8.510 15.185 0.513 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.264 12.713 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.733 12.784 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.225 12.583 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.782 14.170 -0.200 1.00 0.00 H new ATOM 180 N ASP A 12 -7.838 14.261 -2.980 1.00 0.00 N ATOM 181 CA ASP A 12 -7.729 15.011 -4.223 1.00 0.00 C ATOM 182 C ASP A 12 -8.622 14.392 -5.294 1.00 0.00 C ATOM 183 O ASP A 12 -8.265 14.352 -6.471 1.00 0.00 O ATOM 184 CB ASP A 12 -6.276 15.039 -4.703 1.00 0.00 C ATOM 185 CG ASP A 12 -5.494 16.197 -4.114 1.00 0.00 C ATOM 186 OD1 ASP A 12 -5.917 16.728 -3.065 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.458 16.574 -4.701 1.00 0.00 O ATOM 0 H ASP A 12 -7.116 13.552 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.057 16.034 -4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.789 14.102 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.257 15.107 -5.791 1.00 0.00 H new ATOM 192 N MET A 13 -9.784 13.903 -4.869 1.00 0.00 N ATOM 193 CA MET A 13 -10.734 13.276 -5.780 1.00 0.00 C ATOM 194 C MET A 13 -12.105 13.937 -5.682 1.00 0.00 C ATOM 195 O MET A 13 -12.390 14.661 -4.727 1.00 0.00 O ATOM 196 CB MET A 13 -10.855 11.784 -5.468 1.00 0.00 C ATOM 197 CG MET A 13 -12.074 11.128 -6.096 1.00 0.00 C ATOM 198 SD MET A 13 -11.810 9.383 -6.463 1.00 0.00 S ATOM 199 CE MET A 13 -11.542 8.727 -4.818 1.00 0.00 C ATOM 0 H MET A 13 -10.090 13.930 -3.896 1.00 0.00 H new ATOM 0 HA MET A 13 -10.362 13.404 -6.797 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.958 11.274 -5.818 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.897 11.650 -4.387 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.924 11.229 -5.422 1.00 0.00 H new ATOM 0 HG3 MET A 13 -12.332 11.654 -7.015 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.980 7.731 -4.747 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.472 8.667 -4.620 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.011 9.383 -4.084 1.00 0.00 H new ATOM 209 N SER A 14 -12.953 13.677 -6.672 1.00 0.00 N ATOM 210 CA SER A 14 -14.297 14.242 -6.694 1.00 0.00 C ATOM 211 C SER A 14 -15.054 13.889 -5.416 1.00 0.00 C ATOM 212 O SER A 14 -15.193 12.716 -5.070 1.00 0.00 O ATOM 213 CB SER A 14 -15.067 13.736 -7.916 1.00 0.00 C ATOM 214 OG SER A 14 -15.475 12.390 -7.742 1.00 0.00 O ATOM 0 H SER A 14 -12.733 13.079 -7.469 1.00 0.00 H new ATOM 0 HA SER A 14 -14.209 15.327 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.941 14.365 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.440 13.817 -8.804 1.00 0.00 H new ATOM 0 HG SER A 14 -16.223 12.195 -8.344 1.00 0.00 H new ATOM 220 N GLU A 15 -15.535 14.914 -4.719 1.00 0.00 N ATOM 221 CA GLU A 15 -16.275 14.719 -3.476 1.00 0.00 C ATOM 222 C GLU A 15 -17.014 13.384 -3.473 1.00 0.00 C ATOM 223 O GLU A 15 -16.670 12.473 -2.720 1.00 0.00 O ATOM 224 CB GLU A 15 -17.269 15.863 -3.268 1.00 0.00 C ATOM 225 CG GLU A 15 -16.726 17.224 -3.675 1.00 0.00 C ATOM 226 CD GLU A 15 -17.819 18.261 -3.843 1.00 0.00 C ATOM 227 OE1 GLU A 15 -18.628 18.429 -2.906 1.00 0.00 O ATOM 228 OE2 GLU A 15 -17.867 18.906 -4.911 1.00 0.00 O ATOM 0 H GLU A 15 -15.425 15.890 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.555 14.711 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.173 15.656 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.558 15.896 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.017 17.568 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.176 17.127 -4.611 1.00 0.00 H new ATOM 235 N GLU A 16 -18.035 13.278 -4.315 1.00 0.00 N ATOM 236 CA GLU A 16 -18.827 12.057 -4.405 1.00 0.00 C ATOM 237 C GLU A 16 -17.932 10.821 -4.422 1.00 0.00 C ATOM 238 O GLU A 16 -18.234 9.817 -3.778 1.00 0.00 O ATOM 239 CB GLU A 16 -19.705 12.085 -5.657 1.00 0.00 C ATOM 240 CG GLU A 16 -20.333 10.741 -5.990 1.00 0.00 C ATOM 241 CD GLU A 16 -21.512 10.410 -5.097 1.00 0.00 C ATOM 242 OE1 GLU A 16 -22.327 11.318 -4.829 1.00 0.00 O ATOM 243 OE2 GLU A 16 -21.621 9.243 -4.665 1.00 0.00 O ATOM 0 H GLU A 16 -18.334 14.022 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.465 12.004 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.496 12.822 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.105 12.416 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.660 10.745 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.580 9.959 -5.895 1.00 0.00 H new ATOM 250 N MET A 17 -16.834 10.898 -5.166 1.00 0.00 N ATOM 251 CA MET A 17 -15.901 9.780 -5.266 1.00 0.00 C ATOM 252 C MET A 17 -15.229 9.502 -3.924 1.00 0.00 C ATOM 253 O MET A 17 -14.882 8.361 -3.619 1.00 0.00 O ATOM 254 CB MET A 17 -14.841 10.065 -6.332 1.00 0.00 C ATOM 255 CG MET A 17 -15.266 9.665 -7.736 1.00 0.00 C ATOM 256 SD MET A 17 -14.185 8.416 -8.459 1.00 0.00 S ATOM 257 CE MET A 17 -14.491 7.027 -7.371 1.00 0.00 C ATOM 0 H MET A 17 -16.568 11.720 -5.708 1.00 0.00 H new ATOM 0 HA MET A 17 -16.468 8.895 -5.554 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.605 11.129 -6.322 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.925 9.533 -6.073 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.287 9.284 -7.708 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.273 10.548 -8.375 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.144 6.109 -7.846 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.956 7.175 -6.433 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.560 6.950 -7.171 1.00 0.00 H new ATOM 267 N GLN A 18 -15.043 10.551 -3.127 1.00 0.00 N ATOM 268 CA GLN A 18 -14.407 10.413 -1.820 1.00 0.00 C ATOM 269 C GLN A 18 -15.331 9.708 -0.834 1.00 0.00 C ATOM 270 O GLN A 18 -14.877 8.948 0.023 1.00 0.00 O ATOM 271 CB GLN A 18 -14.009 11.785 -1.270 1.00 0.00 C ATOM 272 CG GLN A 18 -14.109 12.906 -2.290 1.00 0.00 C ATOM 273 CD GLN A 18 -12.843 13.738 -2.373 1.00 0.00 C ATOM 274 OE1 GLN A 18 -11.737 13.095 -2.729 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -12.861 14.943 -2.123 1.00 0.00 N flip ATOM 0 H GLN A 18 -15.323 11.503 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.510 9.807 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.646 12.023 -0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.986 11.734 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.324 12.481 -3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.947 13.553 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.735 15.395 -1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.002 15.490 -2.186 1.00 0.00 H new ATOM 284 N GLN A 19 -16.629 9.957 -0.963 1.00 0.00 N ATOM 285 CA GLN A 19 -17.613 9.340 -0.090 1.00 0.00 C ATOM 286 C GLN A 19 -17.816 7.886 -0.480 1.00 0.00 C ATOM 287 O GLN A 19 -17.926 7.005 0.375 1.00 0.00 O ATOM 288 CB GLN A 19 -18.939 10.098 -0.167 1.00 0.00 C ATOM 289 CG GLN A 19 -19.097 11.155 0.912 1.00 0.00 C ATOM 290 CD GLN A 19 -19.013 12.566 0.362 1.00 0.00 C ATOM 291 OE1 GLN A 19 -19.031 12.687 -0.961 1.00 0.00 O flip ATOM 292 NE2 GLN A 19 -18.934 13.535 1.117 1.00 0.00 N flip ATOM 0 H GLN A 19 -17.022 10.583 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.247 9.382 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -19.020 10.573 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -19.760 9.386 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -20.057 11.020 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.323 11.017 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.923 13.395 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.879 14.478 0.732 1.00 0.00 H new ATOM 301 N ASP A 20 -17.846 7.640 -1.785 1.00 0.00 N ATOM 302 CA ASP A 20 -18.015 6.293 -2.296 1.00 0.00 C ATOM 303 C ASP A 20 -16.750 5.485 -2.049 1.00 0.00 C ATOM 304 O ASP A 20 -16.789 4.259 -1.927 1.00 0.00 O ATOM 305 CB ASP A 20 -18.344 6.326 -3.791 1.00 0.00 C ATOM 306 CG ASP A 20 -19.717 5.757 -4.092 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.678 6.118 -3.380 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.832 4.953 -5.041 1.00 0.00 O ATOM 0 H ASP A 20 -17.755 8.358 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.845 5.818 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.293 7.354 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.591 5.760 -4.339 1.00 0.00 H new ATOM 313 N SER A 21 -15.627 6.192 -1.961 1.00 0.00 N ATOM 314 CA SER A 21 -14.341 5.559 -1.712 1.00 0.00 C ATOM 315 C SER A 21 -14.271 5.059 -0.278 1.00 0.00 C ATOM 316 O SER A 21 -13.823 3.942 -0.018 1.00 0.00 O ATOM 317 CB SER A 21 -13.204 6.544 -1.984 1.00 0.00 C ATOM 318 OG SER A 21 -11.940 5.927 -1.810 1.00 0.00 O ATOM 0 H SER A 21 -15.584 7.206 -2.059 1.00 0.00 H new ATOM 0 HA SER A 21 -14.234 4.708 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.287 6.928 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.290 7.398 -1.312 1.00 0.00 H new ATOM 0 HG SER A 21 -11.729 5.878 -0.854 1.00 0.00 H new ATOM 324 N VAL A 22 -14.731 5.891 0.650 1.00 0.00 N ATOM 325 CA VAL A 22 -14.736 5.527 2.058 1.00 0.00 C ATOM 326 C VAL A 22 -15.600 4.296 2.283 1.00 0.00 C ATOM 327 O VAL A 22 -15.198 3.357 2.971 1.00 0.00 O ATOM 328 CB VAL A 22 -15.258 6.676 2.938 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.142 6.312 4.410 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.510 7.966 2.634 1.00 0.00 C ATOM 0 H VAL A 22 -15.104 6.819 0.451 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.705 5.313 2.341 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.312 6.837 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.515 7.135 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.730 5.416 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.097 6.123 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.894 8.767 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.447 7.825 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.653 8.231 1.586 1.00 0.00 H new ATOM 340 N GLU A 23 -16.790 4.303 1.688 1.00 0.00 N ATOM 341 CA GLU A 23 -17.709 3.181 1.816 1.00 0.00 C ATOM 342 C GLU A 23 -17.050 1.899 1.324 1.00 0.00 C ATOM 343 O GLU A 23 -17.163 0.849 1.957 1.00 0.00 O ATOM 344 CB GLU A 23 -18.995 3.451 1.032 1.00 0.00 C ATOM 345 CG GLU A 23 -19.700 4.731 1.450 1.00 0.00 C ATOM 346 CD GLU A 23 -21.134 4.793 0.961 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.509 3.955 0.113 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.882 5.678 1.426 1.00 0.00 O ATOM 0 H GLU A 23 -17.138 5.072 1.115 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.964 3.061 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.759 3.506 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.676 2.610 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.687 4.810 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.150 5.588 1.061 1.00 0.00 H new ATOM 355 N CYS A 24 -16.351 1.993 0.197 1.00 0.00 N ATOM 356 CA CYS A 24 -15.662 0.840 -0.368 1.00 0.00 C ATOM 357 C CYS A 24 -14.562 0.368 0.578 1.00 0.00 C ATOM 358 O CYS A 24 -14.333 -0.833 0.736 1.00 0.00 O ATOM 359 CB CYS A 24 -15.072 1.185 -1.735 1.00 0.00 C ATOM 360 SG CYS A 24 -16.213 0.931 -3.114 1.00 0.00 S ATOM 0 H CYS A 24 -16.247 2.853 -0.341 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.384 0.034 -0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.752 2.227 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.181 0.579 -1.898 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.628 1.260 -4.227 1.00 0.00 H new ATOM 366 N ALA A 25 -13.905 1.322 1.234 1.00 0.00 N ATOM 367 CA ALA A 25 -12.860 0.996 2.188 1.00 0.00 C ATOM 368 C ALA A 25 -13.504 0.360 3.398 1.00 0.00 C ATOM 369 O ALA A 25 -12.950 -0.538 4.033 1.00 0.00 O ATOM 370 CB ALA A 25 -12.086 2.246 2.585 1.00 0.00 C ATOM 0 H ALA A 25 -14.080 2.320 1.120 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.151 0.301 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.308 1.980 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.629 2.688 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.766 2.966 3.040 1.00 0.00 H new ATOM 376 N THR A 26 -14.709 0.831 3.681 1.00 0.00 N ATOM 377 CA THR A 26 -15.499 0.328 4.783 1.00 0.00 C ATOM 378 C THR A 26 -15.948 -1.095 4.484 1.00 0.00 C ATOM 379 O THR A 26 -15.976 -1.953 5.367 1.00 0.00 O ATOM 380 CB THR A 26 -16.711 1.230 4.994 1.00 0.00 C ATOM 381 OG1 THR A 26 -16.319 2.588 5.080 1.00 0.00 O ATOM 382 CG2 THR A 26 -17.489 0.899 6.241 1.00 0.00 C ATOM 0 H THR A 26 -15.163 1.574 3.149 1.00 0.00 H new ATOM 0 HA THR A 26 -14.897 0.324 5.692 1.00 0.00 H new ATOM 0 HB THR A 26 -17.351 1.059 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.154 2.938 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.337 1.577 6.331 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.850 -0.128 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.843 1.008 7.112 1.00 0.00 H new ATOM 390 N GLN A 27 -16.283 -1.338 3.220 1.00 0.00 N ATOM 391 CA GLN A 27 -16.717 -2.657 2.782 1.00 0.00 C ATOM 392 C GLN A 27 -15.614 -3.677 3.031 1.00 0.00 C ATOM 393 O GLN A 27 -15.874 -4.795 3.475 1.00 0.00 O ATOM 394 CB GLN A 27 -17.086 -2.631 1.299 1.00 0.00 C ATOM 395 CG GLN A 27 -18.249 -1.706 0.979 1.00 0.00 C ATOM 396 CD GLN A 27 -19.586 -2.292 1.387 1.00 0.00 C ATOM 397 OE1 GLN A 27 -20.342 -1.677 2.140 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.886 -3.487 0.892 1.00 0.00 N ATOM 0 H GLN A 27 -16.261 -0.635 2.481 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.600 -2.943 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.215 -2.320 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.337 -3.642 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.103 -0.754 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -18.259 -1.497 -0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.230 -3.961 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.772 -3.931 1.132 1.00 0.00 H new ATOM 407 N ALA A 28 -14.378 -3.273 2.761 1.00 0.00 N ATOM 408 CA ALA A 28 -13.232 -4.142 2.974 1.00 0.00 C ATOM 409 C ALA A 28 -13.015 -4.349 4.462 1.00 0.00 C ATOM 410 O ALA A 28 -12.585 -5.416 4.902 1.00 0.00 O ATOM 411 CB ALA A 28 -11.986 -3.545 2.338 1.00 0.00 C ATOM 0 H ALA A 28 -14.146 -2.350 2.395 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.428 -5.106 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.138 -4.208 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.146 -3.426 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.780 -2.572 2.784 1.00 0.00 H new ATOM 417 N LEU A 29 -13.320 -3.311 5.236 1.00 0.00 N ATOM 418 CA LEU A 29 -13.165 -3.364 6.679 1.00 0.00 C ATOM 419 C LEU A 29 -14.162 -4.335 7.297 1.00 0.00 C ATOM 420 O LEU A 29 -13.810 -5.153 8.146 1.00 0.00 O ATOM 421 CB LEU A 29 -13.350 -1.977 7.288 1.00 0.00 C ATOM 422 CG LEU A 29 -12.170 -1.029 7.089 1.00 0.00 C ATOM 423 CD1 LEU A 29 -12.652 0.307 6.558 1.00 0.00 C ATOM 424 CD2 LEU A 29 -11.410 -0.846 8.393 1.00 0.00 C ATOM 0 H LEU A 29 -13.676 -2.423 4.883 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.156 -3.716 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.241 -1.522 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.534 -2.086 8.357 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.491 -1.466 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.800 0.973 6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.154 0.159 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.349 0.751 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.572 -0.167 8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.077 -0.428 9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.035 -1.811 8.734 1.00 0.00 H new ATOM 436 N GLU A 30 -15.413 -4.234 6.859 1.00 0.00 N ATOM 437 CA GLU A 30 -16.474 -5.096 7.362 1.00 0.00 C ATOM 438 C GLU A 30 -16.266 -6.535 6.898 1.00 0.00 C ATOM 439 O GLU A 30 -16.709 -7.478 7.554 1.00 0.00 O ATOM 440 CB GLU A 30 -17.836 -4.584 6.893 1.00 0.00 C ATOM 441 CG GLU A 30 -18.818 -4.340 8.027 1.00 0.00 C ATOM 442 CD GLU A 30 -20.124 -5.087 7.837 1.00 0.00 C ATOM 443 OE1 GLU A 30 -20.732 -4.953 6.755 1.00 0.00 O ATOM 444 OE2 GLU A 30 -20.537 -5.807 8.771 1.00 0.00 O ATOM 0 H GLU A 30 -15.716 -3.561 6.155 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.444 -5.078 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.695 -3.656 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.267 -5.306 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.363 -4.645 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.022 -3.272 8.103 1.00 0.00 H new ATOM 451 N LYS A 31 -15.588 -6.696 5.767 1.00 0.00 N ATOM 452 CA LYS A 31 -15.318 -8.021 5.220 1.00 0.00 C ATOM 453 C LYS A 31 -14.016 -8.583 5.778 1.00 0.00 C ATOM 454 O LYS A 31 -13.828 -9.798 5.843 1.00 0.00 O ATOM 455 CB LYS A 31 -15.252 -7.962 3.694 1.00 0.00 C ATOM 456 CG LYS A 31 -16.611 -8.075 3.024 1.00 0.00 C ATOM 457 CD LYS A 31 -16.883 -6.891 2.110 1.00 0.00 C ATOM 458 CE LYS A 31 -18.169 -7.081 1.323 1.00 0.00 C ATOM 459 NZ LYS A 31 -19.367 -7.070 2.206 1.00 0.00 N ATOM 0 H LYS A 31 -15.215 -5.926 5.211 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.133 -8.682 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.785 -7.024 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.610 -8.767 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.658 -8.999 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.389 -8.134 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.949 -5.979 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.049 -6.763 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.259 -6.290 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.126 -8.026 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.227 -7.134 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.327 -7.881 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.385 -6.187 2.755 1.00 0.00 H new ATOM 473 N TYR A 32 -13.119 -7.691 6.181 1.00 0.00 N ATOM 474 CA TYR A 32 -11.833 -8.092 6.738 1.00 0.00 C ATOM 475 C TYR A 32 -11.223 -6.956 7.549 1.00 0.00 C ATOM 476 O TYR A 32 -11.313 -5.790 7.165 1.00 0.00 O ATOM 477 CB TYR A 32 -10.869 -8.514 5.625 1.00 0.00 C ATOM 478 CG TYR A 32 -11.495 -8.548 4.249 1.00 0.00 C ATOM 479 CD1 TYR A 32 -11.561 -7.404 3.466 1.00 0.00 C ATOM 480 CD2 TYR A 32 -12.021 -9.728 3.735 1.00 0.00 C ATOM 481 CE1 TYR A 32 -12.132 -7.433 2.207 1.00 0.00 C ATOM 482 CE2 TYR A 32 -12.592 -9.765 2.477 1.00 0.00 C ATOM 483 CZ TYR A 32 -12.646 -8.616 1.718 1.00 0.00 C ATOM 484 OH TYR A 32 -13.214 -8.649 0.465 1.00 0.00 O ATOM 0 H TYR A 32 -13.259 -6.682 6.132 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.002 -8.944 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.023 -7.827 5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.473 -9.503 5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.160 -6.476 3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.983 -10.630 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.175 -6.534 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.994 -10.690 2.091 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.526 -9.557 0.271 1.00 0.00 H new ATOM 494 N ASN A 33 -10.606 -7.301 8.673 1.00 0.00 N ATOM 495 CA ASN A 33 -9.985 -6.305 9.535 1.00 0.00 C ATOM 496 C ASN A 33 -8.470 -6.313 9.373 1.00 0.00 C ATOM 497 O ASN A 33 -7.731 -6.005 10.308 1.00 0.00 O ATOM 498 CB ASN A 33 -10.356 -6.564 10.996 1.00 0.00 C ATOM 499 CG ASN A 33 -10.520 -5.283 11.789 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.734 -4.992 12.691 1.00 0.00 O ATOM 501 ND2 ASN A 33 -11.545 -4.507 11.454 1.00 0.00 N ATOM 0 H ASN A 33 -10.523 -8.261 9.008 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.357 -5.323 9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.284 -7.134 11.036 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.584 -7.178 11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.705 -3.631 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.172 -4.787 10.700 1.00 0.00 H new ATOM 508 N ILE A 34 -8.015 -6.667 8.177 1.00 0.00 N ATOM 509 CA ILE A 34 -6.588 -6.716 7.885 1.00 0.00 C ATOM 510 C ILE A 34 -6.196 -5.639 6.882 1.00 0.00 C ATOM 511 O ILE A 34 -6.474 -5.765 5.691 1.00 0.00 O ATOM 512 CB ILE A 34 -6.174 -8.092 7.327 1.00 0.00 C ATOM 513 CG1 ILE A 34 -6.980 -9.205 7.993 1.00 0.00 C ATOM 514 CG2 ILE A 34 -4.683 -8.318 7.524 1.00 0.00 C ATOM 515 CD1 ILE A 34 -6.946 -9.152 9.502 1.00 0.00 C ATOM 0 H ILE A 34 -8.615 -6.925 7.393 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.068 -6.542 8.827 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.386 -8.110 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.015 -9.143 7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.595 -10.170 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.407 -9.294 7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.125 -7.541 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.447 -8.281 8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.539 -9.971 9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.916 -9.244 9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.358 -8.202 9.842 1.00 0.00 H new ATOM 527 N GLU A 35 -5.552 -4.584 7.375 1.00 0.00 N ATOM 528 CA GLU A 35 -5.117 -3.474 6.529 1.00 0.00 C ATOM 529 C GLU A 35 -4.939 -3.921 5.080 1.00 0.00 C ATOM 530 O GLU A 35 -5.813 -3.699 4.242 1.00 0.00 O ATOM 531 CB GLU A 35 -3.809 -2.888 7.061 1.00 0.00 C ATOM 532 CG GLU A 35 -3.975 -2.122 8.365 1.00 0.00 C ATOM 533 CD GLU A 35 -4.557 -2.978 9.473 1.00 0.00 C ATOM 534 OE1 GLU A 35 -4.042 -4.094 9.695 1.00 0.00 O ATOM 535 OE2 GLU A 35 -5.528 -2.532 10.118 1.00 0.00 O ATOM 0 H GLU A 35 -5.318 -4.474 8.362 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.891 -2.707 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.093 -3.696 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.385 -2.222 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.006 -1.735 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.623 -1.262 8.197 1.00 0.00 H new ATOM 542 N LYS A 36 -3.809 -4.556 4.793 1.00 0.00 N ATOM 543 CA LYS A 36 -3.529 -5.036 3.443 1.00 0.00 C ATOM 544 C LYS A 36 -4.783 -5.625 2.808 1.00 0.00 C ATOM 545 O LYS A 36 -5.124 -5.304 1.669 1.00 0.00 O ATOM 546 CB LYS A 36 -2.416 -6.085 3.475 1.00 0.00 C ATOM 547 CG LYS A 36 -1.535 -6.001 4.712 1.00 0.00 C ATOM 548 CD LYS A 36 -0.678 -7.247 4.871 1.00 0.00 C ATOM 549 CE LYS A 36 -1.429 -8.351 5.599 1.00 0.00 C ATOM 550 NZ LYS A 36 -0.815 -9.686 5.366 1.00 0.00 N ATOM 0 H LYS A 36 -3.074 -4.750 5.473 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.202 -4.189 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.863 -7.078 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.794 -5.969 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.893 -5.123 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.159 -5.872 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.367 -7.604 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.229 -6.998 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.441 -8.138 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.467 -8.365 5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.356 -10.411 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.827 -9.901 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.167 -9.681 5.707 1.00 0.00 H new ATOM 564 N ASP A 37 -5.471 -6.487 3.551 1.00 0.00 N ATOM 565 CA ASP A 37 -6.691 -7.118 3.061 1.00 0.00 C ATOM 566 C ASP A 37 -7.717 -6.067 2.651 1.00 0.00 C ATOM 567 O ASP A 37 -8.211 -6.072 1.523 1.00 0.00 O ATOM 568 CB ASP A 37 -7.281 -8.034 4.136 1.00 0.00 C ATOM 569 CG ASP A 37 -7.570 -9.427 3.610 1.00 0.00 C ATOM 570 OD1 ASP A 37 -7.985 -9.546 2.439 1.00 0.00 O ATOM 571 OD2 ASP A 37 -7.381 -10.399 4.372 1.00 0.00 O ATOM 0 H ASP A 37 -5.204 -6.764 4.495 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.438 -7.714 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.587 -8.101 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.202 -7.594 4.519 1.00 0.00 H new ATOM 576 N ILE A 38 -8.033 -5.163 3.575 1.00 0.00 N ATOM 577 CA ILE A 38 -8.996 -4.103 3.309 1.00 0.00 C ATOM 578 C ILE A 38 -8.661 -3.376 2.013 1.00 0.00 C ATOM 579 O ILE A 38 -9.525 -3.172 1.160 1.00 0.00 O ATOM 580 CB ILE A 38 -9.040 -3.079 4.460 1.00 0.00 C ATOM 581 CG1 ILE A 38 -9.046 -3.798 5.811 1.00 0.00 C ATOM 582 CG2 ILE A 38 -10.260 -2.181 4.323 1.00 0.00 C ATOM 583 CD1 ILE A 38 -8.167 -3.139 6.854 1.00 0.00 C ATOM 0 H ILE A 38 -7.635 -5.145 4.514 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.973 -4.577 3.219 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.148 -2.455 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.069 -3.841 6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.715 -4.827 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.277 -1.463 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -10.214 -1.647 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.164 -2.789 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.221 -3.703 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.136 -3.120 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.510 -2.119 7.027 1.00 0.00 H new ATOM 595 N ALA A 39 -7.399 -2.987 1.872 1.00 0.00 N ATOM 596 CA ALA A 39 -6.948 -2.284 0.678 1.00 0.00 C ATOM 597 C ALA A 39 -7.267 -3.087 -0.577 1.00 0.00 C ATOM 598 O ALA A 39 -8.030 -2.639 -1.433 1.00 0.00 O ATOM 599 CB ALA A 39 -5.457 -1.998 0.766 1.00 0.00 C ATOM 0 H ALA A 39 -6.671 -3.146 2.569 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.481 -1.335 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.134 -1.473 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.256 -1.379 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.911 -2.937 0.853 1.00 0.00 H new ATOM 605 N ALA A 40 -6.688 -4.280 -0.680 1.00 0.00 N ATOM 606 CA ALA A 40 -6.924 -5.145 -1.830 1.00 0.00 C ATOM 607 C ALA A 40 -8.389 -5.087 -2.248 1.00 0.00 C ATOM 608 O ALA A 40 -8.713 -4.703 -3.371 1.00 0.00 O ATOM 609 CB ALA A 40 -6.519 -6.574 -1.506 1.00 0.00 C ATOM 0 H ALA A 40 -6.053 -4.668 0.018 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.315 -4.792 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.700 -7.209 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.460 -6.603 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.106 -6.936 -0.662 1.00 0.00 H new ATOM 615 N HIS A 41 -9.268 -5.460 -1.325 1.00 0.00 N ATOM 616 CA HIS A 41 -10.704 -5.444 -1.576 1.00 0.00 C ATOM 617 C HIS A 41 -11.121 -4.100 -2.165 1.00 0.00 C ATOM 618 O HIS A 41 -11.788 -4.039 -3.198 1.00 0.00 O ATOM 619 CB HIS A 41 -11.460 -5.728 -0.267 1.00 0.00 C ATOM 620 CG HIS A 41 -12.820 -5.093 -0.165 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.951 -5.800 0.181 1.00 0.00 N ATOM 622 CD2 HIS A 41 -13.226 -3.812 -0.349 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.992 -4.985 0.202 1.00 0.00 C ATOM 624 NE2 HIS A 41 -14.577 -3.774 -0.115 1.00 0.00 N ATOM 0 H HIS A 41 -9.009 -5.779 -0.391 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.954 -6.221 -2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.571 -6.807 -0.156 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.851 -5.382 0.568 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -13.981 -6.798 0.389 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.601 -2.977 -0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.008 -5.263 0.438 1.00 0.00 H new ATOM 633 N ILE A 42 -10.720 -3.027 -1.494 1.00 0.00 N ATOM 634 CA ILE A 42 -11.043 -1.677 -1.935 1.00 0.00 C ATOM 635 C ILE A 42 -10.611 -1.450 -3.379 1.00 0.00 C ATOM 636 O ILE A 42 -11.445 -1.246 -4.261 1.00 0.00 O ATOM 637 CB ILE A 42 -10.367 -0.623 -1.036 1.00 0.00 C ATOM 638 CG1 ILE A 42 -10.869 -0.754 0.402 1.00 0.00 C ATOM 639 CG2 ILE A 42 -10.627 0.777 -1.570 1.00 0.00 C ATOM 640 CD1 ILE A 42 -9.792 -0.528 1.440 1.00 0.00 C ATOM 0 H ILE A 42 -10.167 -3.067 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.125 -1.569 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.291 -0.796 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.675 -0.038 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.294 -1.748 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.143 1.509 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.225 0.862 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.700 0.965 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.219 -0.636 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.996 -1.261 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.383 0.476 1.328 1.00 0.00 H new ATOM 652 N LYS A 43 -9.304 -1.485 -3.613 1.00 0.00 N ATOM 653 CA LYS A 43 -8.762 -1.282 -4.953 1.00 0.00 C ATOM 654 C LYS A 43 -9.520 -2.114 -5.983 1.00 0.00 C ATOM 655 O LYS A 43 -10.242 -1.574 -6.820 1.00 0.00 O ATOM 656 CB LYS A 43 -7.277 -1.645 -4.987 1.00 0.00 C ATOM 657 CG LYS A 43 -6.646 -1.478 -6.359 1.00 0.00 C ATOM 658 CD LYS A 43 -5.168 -1.140 -6.255 1.00 0.00 C ATOM 659 CE LYS A 43 -4.442 -1.415 -7.561 1.00 0.00 C ATOM 660 NZ LYS A 43 -4.082 -2.853 -7.705 1.00 0.00 N ATOM 0 H LYS A 43 -8.600 -1.652 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.880 -0.228 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.742 -1.022 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.156 -2.679 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.771 -2.397 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.163 -0.689 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.052 -0.090 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.715 -1.726 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.073 -1.113 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.538 -0.808 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.051 -2.944 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.393 -3.375 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.550 -3.246 -8.547 1.00 0.00 H new ATOM 674 N LYS A 44 -9.345 -3.430 -5.915 1.00 0.00 N ATOM 675 CA LYS A 44 -10.008 -4.338 -6.844 1.00 0.00 C ATOM 676 C LYS A 44 -11.378 -3.805 -7.243 1.00 0.00 C ATOM 677 O LYS A 44 -11.649 -3.576 -8.423 1.00 0.00 O ATOM 678 CB LYS A 44 -10.149 -5.727 -6.217 1.00 0.00 C ATOM 679 CG LYS A 44 -9.058 -6.698 -6.642 1.00 0.00 C ATOM 680 CD LYS A 44 -8.928 -6.760 -8.155 1.00 0.00 C ATOM 681 CE LYS A 44 -7.644 -7.457 -8.576 1.00 0.00 C ATOM 682 NZ LYS A 44 -7.674 -7.858 -10.010 1.00 0.00 N ATOM 0 H LYS A 44 -8.750 -3.891 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.394 -4.412 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.135 -5.630 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.120 -6.142 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.107 -6.392 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.282 -7.692 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.784 -7.289 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.946 -5.750 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.797 -6.793 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.490 -8.340 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.781 -8.330 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.467 -8.511 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.795 -7.013 -10.604 1.00 0.00 H new ATOM 696 N GLU A 45 -12.237 -3.606 -6.252 1.00 0.00 N ATOM 697 CA GLU A 45 -13.581 -3.098 -6.495 1.00 0.00 C ATOM 698 C GLU A 45 -13.529 -1.674 -7.042 1.00 0.00 C ATOM 699 O GLU A 45 -14.400 -1.261 -7.807 1.00 0.00 O ATOM 700 CB GLU A 45 -14.407 -3.138 -5.203 1.00 0.00 C ATOM 701 CG GLU A 45 -15.608 -2.202 -5.208 1.00 0.00 C ATOM 702 CD GLU A 45 -16.770 -2.751 -6.011 1.00 0.00 C ATOM 703 OE1 GLU A 45 -17.466 -3.657 -5.505 1.00 0.00 O ATOM 704 OE2 GLU A 45 -16.985 -2.275 -7.146 1.00 0.00 O ATOM 0 H GLU A 45 -12.027 -3.789 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.059 -3.736 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.754 -4.158 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.762 -2.881 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.931 -2.026 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.311 -1.237 -5.619 1.00 0.00 H new ATOM 711 N PHE A 46 -12.505 -0.927 -6.642 1.00 0.00 N ATOM 712 CA PHE A 46 -12.345 0.450 -7.092 1.00 0.00 C ATOM 713 C PHE A 46 -11.760 0.507 -8.498 1.00 0.00 C ATOM 714 O PHE A 46 -11.686 1.575 -9.106 1.00 0.00 O ATOM 715 CB PHE A 46 -11.453 1.226 -6.125 1.00 0.00 C ATOM 716 CG PHE A 46 -12.145 2.399 -5.495 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.870 2.241 -4.328 1.00 0.00 C ATOM 718 CD2 PHE A 46 -12.073 3.657 -6.072 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.512 3.314 -3.744 1.00 0.00 C ATOM 720 CE2 PHE A 46 -12.712 4.736 -5.492 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.432 4.564 -4.327 1.00 0.00 C ATOM 0 H PHE A 46 -11.775 -1.252 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.333 0.910 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.106 0.553 -5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.569 1.577 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.935 1.266 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.512 3.795 -6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.076 3.177 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.648 5.712 -5.949 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.932 5.406 -3.872 1.00 0.00 H new ATOM 731 N ASP A 47 -11.354 -0.646 -9.014 1.00 0.00 N ATOM 732 CA ASP A 47 -10.787 -0.720 -10.354 1.00 0.00 C ATOM 733 C ASP A 47 -11.829 -1.240 -11.333 1.00 0.00 C ATOM 734 O ASP A 47 -11.809 -0.911 -12.518 1.00 0.00 O ATOM 735 CB ASP A 47 -9.553 -1.627 -10.367 1.00 0.00 C ATOM 736 CG ASP A 47 -8.644 -1.386 -9.178 1.00 0.00 C ATOM 737 OD1 ASP A 47 -8.190 -0.236 -9.001 1.00 0.00 O ATOM 738 OD2 ASP A 47 -8.390 -2.346 -8.421 1.00 0.00 O ATOM 0 H ASP A 47 -11.407 -1.540 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.483 0.282 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.872 -2.669 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.994 -1.461 -11.288 1.00 0.00 H new ATOM 743 N LYS A 48 -12.743 -2.055 -10.821 1.00 0.00 N ATOM 744 CA LYS A 48 -13.803 -2.626 -11.636 1.00 0.00 C ATOM 745 C LYS A 48 -15.063 -1.767 -11.569 1.00 0.00 C ATOM 746 O LYS A 48 -15.904 -1.811 -12.466 1.00 0.00 O ATOM 747 CB LYS A 48 -14.105 -4.057 -11.174 1.00 0.00 C ATOM 748 CG LYS A 48 -15.518 -4.525 -11.486 1.00 0.00 C ATOM 749 CD LYS A 48 -15.522 -5.665 -12.492 1.00 0.00 C ATOM 750 CE LYS A 48 -15.574 -5.150 -13.922 1.00 0.00 C ATOM 751 NZ LYS A 48 -16.924 -5.324 -14.526 1.00 0.00 N ATOM 0 H LYS A 48 -12.769 -2.335 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.467 -2.652 -12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.396 -4.737 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.941 -4.122 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.006 -4.849 -10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.100 -3.691 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.628 -6.274 -12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.379 -6.312 -12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.302 -4.094 -13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.836 -5.678 -14.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.918 -4.961 -15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.173 -6.334 -14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.625 -4.799 -13.965 1.00 0.00 H new ATOM 765 N LYS A 49 -15.191 -0.992 -10.498 1.00 0.00 N ATOM 766 CA LYS A 49 -16.354 -0.131 -10.316 1.00 0.00 C ATOM 767 C LYS A 49 -16.127 1.242 -10.939 1.00 0.00 C ATOM 768 O LYS A 49 -17.077 1.990 -11.174 1.00 0.00 O ATOM 769 CB LYS A 49 -16.675 0.018 -8.828 1.00 0.00 C ATOM 770 CG LYS A 49 -18.139 -0.226 -8.497 1.00 0.00 C ATOM 771 CD LYS A 49 -18.998 0.979 -8.845 1.00 0.00 C ATOM 772 CE LYS A 49 -19.081 1.958 -7.685 1.00 0.00 C ATOM 773 NZ LYS A 49 -19.366 1.269 -6.396 1.00 0.00 N ATOM 0 H LYS A 49 -14.506 -0.942 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.199 -0.599 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.061 -0.681 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.399 1.021 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.496 -1.099 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.240 -0.452 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.584 1.482 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.001 0.647 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.142 2.505 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.862 2.692 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.956 1.882 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.870 0.379 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.471 1.065 -5.906 1.00 0.00 H new ATOM 787 N TYR A 50 -14.868 1.570 -11.208 1.00 0.00 N ATOM 788 CA TYR A 50 -14.531 2.858 -11.804 1.00 0.00 C ATOM 789 C TYR A 50 -13.468 2.707 -12.888 1.00 0.00 C ATOM 790 O TYR A 50 -13.730 2.972 -14.062 1.00 0.00 O ATOM 791 CB TYR A 50 -14.038 3.830 -10.730 1.00 0.00 C ATOM 792 CG TYR A 50 -14.833 3.775 -9.443 1.00 0.00 C ATOM 793 CD1 TYR A 50 -14.585 2.793 -8.492 1.00 0.00 C ATOM 794 CD2 TYR A 50 -15.831 4.705 -9.181 1.00 0.00 C ATOM 795 CE1 TYR A 50 -15.308 2.741 -7.315 1.00 0.00 C ATOM 796 CE2 TYR A 50 -16.559 4.660 -8.007 1.00 0.00 C ATOM 797 CZ TYR A 50 -16.294 3.676 -7.079 1.00 0.00 C ATOM 798 OH TYR A 50 -17.017 3.626 -5.908 1.00 0.00 O ATOM 0 H TYR A 50 -14.067 0.965 -11.024 1.00 0.00 H new ATOM 0 HA TYR A 50 -15.436 3.256 -12.263 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.993 3.613 -10.510 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -14.076 4.845 -11.127 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.815 2.058 -8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -16.042 5.476 -9.907 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.102 1.973 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -17.331 5.391 -7.818 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.835 4.157 -6.006 1.00 0.00 H new ATOM 808 N ASN A 51 -12.271 2.281 -12.483 1.00 0.00 N ATOM 809 CA ASN A 51 -11.156 2.095 -13.409 1.00 0.00 C ATOM 810 C ASN A 51 -9.824 2.158 -12.664 1.00 0.00 C ATOM 811 O ASN A 51 -9.492 3.176 -12.057 1.00 0.00 O ATOM 812 CB ASN A 51 -11.177 3.161 -14.509 1.00 0.00 C ATOM 813 CG ASN A 51 -10.784 4.532 -13.995 1.00 0.00 C ATOM 814 OD1 ASN A 51 -11.282 4.888 -12.816 1.00 0.00 O flip ATOM 815 ND2 ASN A 51 -10.041 5.264 -14.649 1.00 0.00 N flip ATOM 0 H ASN A 51 -12.049 2.057 -11.513 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.264 1.112 -13.868 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.497 2.867 -15.308 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.176 3.211 -14.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.681 4.951 -15.550 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.786 6.184 -14.289 1.00 0.00 H new ATOM 822 N PRO A 52 -9.037 1.068 -12.698 1.00 0.00 N ATOM 823 CA PRO A 52 -7.736 1.012 -12.022 1.00 0.00 C ATOM 824 C PRO A 52 -6.716 1.976 -12.635 1.00 0.00 C ATOM 825 O PRO A 52 -6.969 2.554 -13.692 1.00 0.00 O ATOM 826 CB PRO A 52 -7.285 -0.436 -12.230 1.00 0.00 C ATOM 827 CG PRO A 52 -8.020 -0.891 -13.442 1.00 0.00 C ATOM 828 CD PRO A 52 -9.347 -0.192 -13.396 1.00 0.00 C ATOM 0 HA PRO A 52 -7.814 1.304 -10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.206 -0.498 -12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.527 -1.054 -11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.474 -0.636 -14.350 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.147 -1.974 -13.440 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.743 -0.012 -14.396 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.093 -0.778 -12.858 1.00 0.00 H new ATOM 836 N THR A 53 -5.558 2.153 -11.978 1.00 0.00 N ATOM 837 CA THR A 53 -5.247 1.472 -10.721 1.00 0.00 C ATOM 838 C THR A 53 -5.378 2.431 -9.544 1.00 0.00 C ATOM 839 O THR A 53 -4.871 3.551 -9.584 1.00 0.00 O ATOM 840 CB THR A 53 -3.835 0.878 -10.756 1.00 0.00 C ATOM 841 OG1 THR A 53 -3.077 1.324 -9.646 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.059 1.227 -12.009 1.00 0.00 C ATOM 0 H THR A 53 -4.816 2.771 -12.306 1.00 0.00 H new ATOM 0 HA THR A 53 -5.963 0.660 -10.595 1.00 0.00 H new ATOM 0 HB THR A 53 -3.981 -0.202 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.435 0.927 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.070 0.772 -11.963 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.591 0.851 -12.883 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.957 2.310 -12.084 1.00 0.00 H new ATOM 850 N TRP A 54 -6.066 1.985 -8.501 1.00 0.00 N ATOM 851 CA TRP A 54 -6.269 2.806 -7.316 1.00 0.00 C ATOM 852 C TRP A 54 -5.296 2.427 -6.207 1.00 0.00 C ATOM 853 O TRP A 54 -5.578 1.547 -5.395 1.00 0.00 O ATOM 854 CB TRP A 54 -7.705 2.664 -6.812 1.00 0.00 C ATOM 855 CG TRP A 54 -8.733 3.108 -7.806 1.00 0.00 C ATOM 856 CD1 TRP A 54 -9.059 2.490 -8.979 1.00 0.00 C ATOM 857 CD2 TRP A 54 -9.570 4.266 -7.716 1.00 0.00 C ATOM 858 NE1 TRP A 54 -10.049 3.192 -9.622 1.00 0.00 N ATOM 859 CE2 TRP A 54 -10.381 4.286 -8.865 1.00 0.00 C ATOM 860 CE3 TRP A 54 -9.713 5.287 -6.771 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -11.322 5.287 -9.095 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -10.646 6.281 -7.002 1.00 0.00 C ATOM 863 CH2 TRP A 54 -11.441 6.273 -8.154 1.00 0.00 C ATOM 0 H TRP A 54 -6.492 1.060 -8.452 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.084 3.843 -7.595 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.889 1.622 -6.552 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.820 3.246 -5.898 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.605 1.582 -9.347 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.469 2.940 -10.517 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -9.106 5.299 -5.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.935 5.285 -9.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.763 7.077 -6.281 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -12.164 7.062 -8.303 1.00 0.00 H new ATOM 874 N HIS A 55 -4.159 3.110 -6.165 1.00 0.00 N ATOM 875 CA HIS A 55 -3.161 2.853 -5.137 1.00 0.00 C ATOM 876 C HIS A 55 -3.760 3.155 -3.770 1.00 0.00 C ATOM 877 O HIS A 55 -3.685 4.282 -3.283 1.00 0.00 O ATOM 878 CB HIS A 55 -1.914 3.706 -5.381 1.00 0.00 C ATOM 879 CG HIS A 55 -1.486 3.738 -6.815 1.00 0.00 C ATOM 880 ND1 HIS A 55 -0.259 4.212 -7.225 1.00 0.00 N ATOM 881 CD2 HIS A 55 -2.131 3.346 -7.941 1.00 0.00 C ATOM 882 CE1 HIS A 55 -0.167 4.113 -8.539 1.00 0.00 C ATOM 883 NE2 HIS A 55 -1.289 3.591 -8.997 1.00 0.00 N ATOM 0 H HIS A 55 -3.906 3.843 -6.828 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.864 1.805 -5.173 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.108 4.725 -5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.095 3.321 -4.774 1.00 0.00 H new ATOM 0 HD1 HIS A 55 0.466 4.582 -6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.122 2.920 -7.997 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.682 4.409 -9.137 1.00 0.00 H new ATOM 892 N CYS A 56 -4.387 2.146 -3.175 1.00 0.00 N ATOM 893 CA CYS A 56 -5.037 2.313 -1.881 1.00 0.00 C ATOM 894 C CYS A 56 -4.224 1.708 -0.743 1.00 0.00 C ATOM 895 O CYS A 56 -3.792 0.557 -0.812 1.00 0.00 O ATOM 896 CB CYS A 56 -6.427 1.677 -1.911 1.00 0.00 C ATOM 897 SG CYS A 56 -6.460 -0.057 -1.400 1.00 0.00 S ATOM 0 H CYS A 56 -4.459 1.207 -3.567 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.118 3.384 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.090 2.248 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.828 1.754 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.979 -0.799 -2.353 1.00 0.00 H new ATOM 903 N ILE A 57 -4.042 2.493 0.313 1.00 0.00 N ATOM 904 CA ILE A 57 -3.307 2.047 1.490 1.00 0.00 C ATOM 905 C ILE A 57 -4.167 2.180 2.740 1.00 0.00 C ATOM 906 O ILE A 57 -4.308 3.271 3.292 1.00 0.00 O ATOM 907 CB ILE A 57 -2.007 2.849 1.696 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.160 2.857 0.417 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.219 2.275 2.865 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.001 1.497 -0.227 1.00 0.00 C ATOM 0 H ILE A 57 -4.396 3.447 0.377 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.049 1.001 1.322 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.269 3.882 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.615 3.537 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.172 3.254 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.302 2.848 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.821 2.330 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.969 1.234 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.390 1.589 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.517 0.817 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.982 1.104 -0.495 1.00 0.00 H new ATOM 922 N VAL A 58 -4.742 1.068 3.181 1.00 0.00 N ATOM 923 CA VAL A 58 -5.592 1.070 4.365 1.00 0.00 C ATOM 924 C VAL A 58 -4.824 0.599 5.593 1.00 0.00 C ATOM 925 O VAL A 58 -4.347 -0.534 5.643 1.00 0.00 O ATOM 926 CB VAL A 58 -6.830 0.179 4.174 1.00 0.00 C ATOM 927 CG1 VAL A 58 -6.423 -1.198 3.683 1.00 0.00 C ATOM 928 CG2 VAL A 58 -7.622 0.080 5.470 1.00 0.00 C ATOM 0 H VAL A 58 -4.636 0.155 2.738 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.918 2.099 4.516 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.471 0.634 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.312 -1.815 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.903 -1.105 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.761 -1.664 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.495 -0.555 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.993 -0.351 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.946 1.075 5.775 1.00 0.00 H new ATOM 938 N GLY A 59 -4.712 1.477 6.583 1.00 0.00 N ATOM 939 CA GLY A 59 -4.007 1.137 7.800 1.00 0.00 C ATOM 940 C GLY A 59 -4.725 1.650 9.031 1.00 0.00 C ATOM 941 O GLY A 59 -5.919 1.408 9.206 1.00 0.00 O ATOM 0 H GLY A 59 -5.099 2.421 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.900 0.054 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.001 1.555 7.766 1.00 0.00 H new ATOM 945 N ARG A 60 -3.999 2.356 9.889 1.00 0.00 N ATOM 946 CA ARG A 60 -4.576 2.896 11.104 1.00 0.00 C ATOM 947 C ARG A 60 -3.657 3.940 11.730 1.00 0.00 C ATOM 948 O ARG A 60 -3.988 4.537 12.755 1.00 0.00 O ATOM 949 CB ARG A 60 -4.833 1.766 12.090 1.00 0.00 C ATOM 950 CG ARG A 60 -3.759 0.691 12.074 1.00 0.00 C ATOM 951 CD ARG A 60 -4.341 -0.681 12.370 1.00 0.00 C ATOM 952 NE ARG A 60 -3.574 -1.389 13.392 1.00 0.00 N ATOM 953 CZ ARG A 60 -4.107 -1.874 14.507 1.00 0.00 C ATOM 954 NH1 ARG A 60 -5.405 -1.734 14.741 1.00 0.00 N ATOM 955 NH2 ARG A 60 -3.342 -2.501 15.390 1.00 0.00 N ATOM 0 H ARG A 60 -3.009 2.566 9.762 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.518 3.384 10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.905 2.181 13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.796 1.309 11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.270 0.678 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.993 0.929 12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.374 -0.573 12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.359 -1.273 11.455 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.574 -1.518 13.241 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.996 -1.253 14.063 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.812 -2.108 15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.344 -2.611 15.213 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.752 -2.873 16.247 1.00 0.00 H new ATOM 969 N ASN A 61 -2.503 4.158 11.108 1.00 0.00 N ATOM 970 CA ASN A 61 -1.537 5.132 11.604 1.00 0.00 C ATOM 971 C ASN A 61 -0.254 5.091 10.785 1.00 0.00 C ATOM 972 O ASN A 61 0.840 5.280 11.317 1.00 0.00 O ATOM 973 CB ASN A 61 -1.221 4.866 13.077 1.00 0.00 C ATOM 974 CG ASN A 61 -0.773 6.118 13.807 1.00 0.00 C ATOM 975 OD1 ASN A 61 0.408 6.061 14.413 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -1.479 7.126 13.823 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.214 3.673 10.259 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.979 6.124 11.507 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.105 4.459 13.568 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.440 4.109 13.147 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.379 7.126 13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.164 7.962 14.315 1.00 0.00 H new ATOM 983 N PHE A 62 -0.393 4.843 9.486 1.00 0.00 N ATOM 984 CA PHE A 62 0.756 4.776 8.595 1.00 0.00 C ATOM 985 C PHE A 62 1.117 6.158 8.062 1.00 0.00 C ATOM 986 O PHE A 62 0.335 7.103 8.171 1.00 0.00 O ATOM 987 CB PHE A 62 0.462 3.833 7.429 1.00 0.00 C ATOM 988 CG PHE A 62 -0.611 4.338 6.507 1.00 0.00 C ATOM 989 CD1 PHE A 62 -1.923 4.443 6.942 1.00 0.00 C ATOM 990 CD2 PHE A 62 -0.308 4.706 5.207 1.00 0.00 C ATOM 991 CE1 PHE A 62 -2.912 4.908 6.096 1.00 0.00 C ATOM 992 CE2 PHE A 62 -1.293 5.171 4.357 1.00 0.00 C ATOM 993 CZ PHE A 62 -2.597 5.272 4.801 1.00 0.00 C ATOM 0 H PHE A 62 -1.291 4.685 9.029 1.00 0.00 H new ATOM 0 HA PHE A 62 1.604 4.394 9.164 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.377 3.677 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.164 2.862 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.175 4.158 7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.710 4.629 4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.930 4.987 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.043 5.455 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.368 5.635 4.138 1.00 0.00 H new ATOM 1003 N GLY A 63 2.300 6.261 7.470 1.00 0.00 N ATOM 1004 CA GLY A 63 2.748 7.521 6.908 1.00 0.00 C ATOM 1005 C GLY A 63 2.926 7.424 5.409 1.00 0.00 C ATOM 1006 O GLY A 63 4.028 7.168 4.922 1.00 0.00 O ATOM 0 H GLY A 63 2.960 5.490 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.025 8.303 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.691 7.812 7.370 1.00 0.00 H new ATOM 1010 N SER A 64 1.834 7.605 4.678 1.00 0.00 N ATOM 1011 CA SER A 64 1.864 7.514 3.226 1.00 0.00 C ATOM 1012 C SER A 64 2.376 8.799 2.585 1.00 0.00 C ATOM 1013 O SER A 64 1.840 9.883 2.817 1.00 0.00 O ATOM 1014 CB SER A 64 0.470 7.183 2.690 1.00 0.00 C ATOM 1015 OG SER A 64 -0.428 8.256 2.909 1.00 0.00 O ATOM 0 H SER A 64 0.916 7.816 5.068 1.00 0.00 H new ATOM 0 HA SER A 64 2.556 6.714 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.529 6.966 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.093 6.284 3.178 1.00 0.00 H new ATOM 0 HG SER A 64 -1.225 7.926 3.375 1.00 0.00 H new ATOM 1021 N TYR A 65 3.407 8.656 1.758 1.00 0.00 N ATOM 1022 CA TYR A 65 3.996 9.786 1.052 1.00 0.00 C ATOM 1023 C TYR A 65 4.153 9.444 -0.425 1.00 0.00 C ATOM 1024 O TYR A 65 5.269 9.312 -0.933 1.00 0.00 O ATOM 1025 CB TYR A 65 5.352 10.157 1.655 1.00 0.00 C ATOM 1026 CG TYR A 65 5.852 11.520 1.227 1.00 0.00 C ATOM 1027 CD1 TYR A 65 5.347 12.679 1.804 1.00 0.00 C ATOM 1028 CD2 TYR A 65 6.826 11.647 0.245 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.799 13.926 1.415 1.00 0.00 C ATOM 1030 CE2 TYR A 65 7.283 12.890 -0.150 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.767 14.026 0.437 1.00 0.00 C ATOM 1032 OH TYR A 65 7.219 15.265 0.046 1.00 0.00 O ATOM 0 H TYR A 65 3.854 7.761 1.560 1.00 0.00 H new ATOM 0 HA TYR A 65 3.333 10.645 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.276 10.132 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.086 9.404 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.589 12.604 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.233 10.760 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.397 14.817 1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.041 12.971 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 65 8.051 15.164 -0.462 1.00 0.00 H new ATOM 1042 N VAL A 66 3.023 9.286 -1.105 1.00 0.00 N ATOM 1043 CA VAL A 66 3.019 8.943 -2.520 1.00 0.00 C ATOM 1044 C VAL A 66 2.784 10.175 -3.387 1.00 0.00 C ATOM 1045 O VAL A 66 2.494 11.259 -2.881 1.00 0.00 O ATOM 1046 CB VAL A 66 1.936 7.893 -2.835 1.00 0.00 C ATOM 1047 CG1 VAL A 66 2.397 6.505 -2.419 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.628 8.254 -2.147 1.00 0.00 C ATOM 0 H VAL A 66 2.095 9.391 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 66 4.000 8.527 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 66 1.767 7.886 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.618 5.778 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.307 6.246 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.597 6.494 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.126 7.502 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.782 8.291 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.289 9.228 -2.498 1.00 0.00 H new ATOM 1058 N THR A 67 2.912 9.998 -4.698 1.00 0.00 N ATOM 1059 CA THR A 67 2.713 11.090 -5.644 1.00 0.00 C ATOM 1060 C THR A 67 1.447 10.867 -6.467 1.00 0.00 C ATOM 1061 O THR A 67 1.514 10.531 -7.650 1.00 0.00 O ATOM 1062 CB THR A 67 3.925 11.212 -6.571 1.00 0.00 C ATOM 1063 OG1 THR A 67 5.036 11.748 -5.875 1.00 0.00 O ATOM 1064 CG2 THR A 67 3.674 12.089 -7.778 1.00 0.00 C ATOM 0 H THR A 67 3.153 9.106 -5.130 1.00 0.00 H new ATOM 0 HA THR A 67 2.601 12.016 -5.080 1.00 0.00 H new ATOM 0 HB THR A 67 4.125 10.198 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.864 11.491 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.574 12.131 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.854 11.674 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.412 13.095 -7.449 1.00 0.00 H new ATOM 1072 N HIS A 68 0.296 11.049 -5.830 1.00 0.00 N ATOM 1073 CA HIS A 68 -0.988 10.863 -6.496 1.00 0.00 C ATOM 1074 C HIS A 68 -1.099 11.744 -7.736 1.00 0.00 C ATOM 1075 O HIS A 68 -0.102 12.270 -8.231 1.00 0.00 O ATOM 1076 CB HIS A 68 -2.132 11.175 -5.532 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.401 12.638 -5.376 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -1.766 13.424 -4.437 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -3.239 13.462 -6.048 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -2.205 14.666 -4.537 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -3.099 14.715 -5.507 1.00 0.00 N ATOM 0 H HIS A 68 0.226 11.326 -4.851 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.056 9.822 -6.810 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.038 10.683 -5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.899 10.751 -4.555 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.896 13.185 -6.859 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.887 15.500 -3.929 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.604 15.549 -5.806 1.00 0.00 H new ATOM 1090 N GLU A 69 -2.323 11.901 -8.233 1.00 0.00 N ATOM 1091 CA GLU A 69 -2.571 12.716 -9.415 1.00 0.00 C ATOM 1092 C GLU A 69 -3.989 12.497 -9.932 1.00 0.00 C ATOM 1093 O GLU A 69 -4.889 12.140 -9.173 1.00 0.00 O ATOM 1094 CB GLU A 69 -1.560 12.381 -10.513 1.00 0.00 C ATOM 1095 CG GLU A 69 -1.373 10.888 -10.731 1.00 0.00 C ATOM 1096 CD GLU A 69 -0.393 10.579 -11.845 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -0.087 11.495 -12.638 1.00 0.00 O ATOM 1098 OE2 GLU A 69 0.070 9.421 -11.926 1.00 0.00 O ATOM 0 H GLU A 69 -3.158 11.473 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.459 13.764 -9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.885 12.838 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.598 12.826 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.022 10.431 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.337 10.435 -10.964 1.00 0.00 H new ATOM 1105 N THR A 70 -4.179 12.709 -11.230 1.00 0.00 N ATOM 1106 CA THR A 70 -5.487 12.531 -11.850 1.00 0.00 C ATOM 1107 C THR A 70 -6.561 13.306 -11.093 1.00 0.00 C ATOM 1108 O THR A 70 -6.714 14.514 -11.275 1.00 0.00 O ATOM 1109 CB THR A 70 -5.850 11.046 -11.892 1.00 0.00 C ATOM 1110 OG1 THR A 70 -4.992 10.298 -11.049 1.00 0.00 O ATOM 1111 CG2 THR A 70 -5.768 10.447 -13.280 1.00 0.00 C ATOM 0 H THR A 70 -3.444 13.004 -11.873 1.00 0.00 H new ATOM 0 HA THR A 70 -5.436 12.919 -12.867 1.00 0.00 H new ATOM 0 HB THR A 70 -6.884 10.991 -11.553 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.240 9.351 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.038 9.392 -13.237 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.456 10.971 -13.944 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.751 10.546 -13.660 1.00 0.00 H new ATOM 1119 N LYS A 71 -7.302 12.602 -10.244 1.00 0.00 N ATOM 1120 CA LYS A 71 -8.364 13.221 -9.459 1.00 0.00 C ATOM 1121 C LYS A 71 -9.152 12.168 -8.690 1.00 0.00 C ATOM 1122 O LYS A 71 -10.286 12.405 -8.275 1.00 0.00 O ATOM 1123 CB LYS A 71 -9.303 14.017 -10.366 1.00 0.00 C ATOM 1124 CG LYS A 71 -9.316 13.531 -11.806 1.00 0.00 C ATOM 1125 CD LYS A 71 -10.524 14.059 -12.559 1.00 0.00 C ATOM 1126 CE LYS A 71 -10.720 13.335 -13.882 1.00 0.00 C ATOM 1127 NZ LYS A 71 -12.081 13.559 -14.442 1.00 0.00 N ATOM 0 H LYS A 71 -7.187 11.602 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.903 13.901 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.315 13.963 -9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.009 15.066 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.404 13.852 -12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.322 12.441 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.416 13.942 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.401 15.126 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.972 13.678 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.558 12.267 -13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.174 13.049 -15.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.794 13.209 -13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.227 14.576 -14.603 1.00 0.00 H new ATOM 1141 N HIS A 72 -8.541 11.004 -8.502 1.00 0.00 N ATOM 1142 CA HIS A 72 -9.182 9.912 -7.780 1.00 0.00 C ATOM 1143 C HIS A 72 -8.344 9.494 -6.578 1.00 0.00 C ATOM 1144 O HIS A 72 -8.161 8.304 -6.319 1.00 0.00 O ATOM 1145 CB HIS A 72 -9.399 8.716 -8.710 1.00 0.00 C ATOM 1146 CG HIS A 72 -10.200 9.044 -9.933 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -11.550 8.786 -10.042 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -9.832 9.611 -11.107 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -11.977 9.179 -11.227 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -10.956 9.684 -11.894 1.00 0.00 N ATOM 0 H HIS A 72 -7.602 10.792 -8.840 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.150 10.262 -7.421 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.429 8.324 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.904 7.924 -8.157 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -12.129 8.358 -9.319 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.840 9.944 -11.375 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.991 9.101 -11.590 1.00 0.00 H new ATOM 1159 N PHE A 73 -7.837 10.480 -5.844 1.00 0.00 N ATOM 1160 CA PHE A 73 -7.019 10.212 -4.668 1.00 0.00 C ATOM 1161 C PHE A 73 -7.708 10.727 -3.410 1.00 0.00 C ATOM 1162 O PHE A 73 -7.829 11.933 -3.210 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.637 10.860 -4.824 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.955 11.180 -3.521 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.671 10.178 -2.605 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.599 12.484 -3.213 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.046 10.472 -1.408 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -3.975 12.783 -2.018 1.00 0.00 C ATOM 1169 CZ PHE A 73 -3.698 11.776 -1.114 1.00 0.00 C ATOM 0 H PHE A 73 -7.979 11.470 -6.043 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.890 9.134 -4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.998 10.192 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.742 11.778 -5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.941 9.157 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.812 13.276 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.830 9.683 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.704 13.803 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.210 12.008 -0.179 1.00 0.00 H new ATOM 1179 N ILE A 74 -8.156 9.808 -2.564 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.826 10.183 -1.328 1.00 0.00 C ATOM 1181 C ILE A 74 -8.133 9.576 -0.117 1.00 0.00 C ATOM 1182 O ILE A 74 -7.916 8.366 -0.054 1.00 0.00 O ATOM 1183 CB ILE A 74 -10.301 9.746 -1.320 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -11.018 10.383 -0.118 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.392 8.224 -1.293 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -12.305 9.696 0.298 1.00 0.00 C ATOM 0 H ILE A 74 -8.068 8.803 -2.711 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.776 11.270 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.796 10.089 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.336 10.389 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.240 11.423 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.439 7.922 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.901 7.814 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.901 7.846 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -12.736 10.218 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.011 9.713 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.093 8.663 0.573 1.00 0.00 H new ATOM 1198 N TYR A 75 -7.796 10.423 0.847 1.00 0.00 N ATOM 1199 CA TYR A 75 -7.138 9.971 2.065 1.00 0.00 C ATOM 1200 C TYR A 75 -7.974 10.330 3.286 1.00 0.00 C ATOM 1201 O TYR A 75 -8.104 11.501 3.638 1.00 0.00 O ATOM 1202 CB TYR A 75 -5.745 10.588 2.184 1.00 0.00 C ATOM 1203 CG TYR A 75 -4.934 10.018 3.325 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -4.179 8.865 3.155 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -4.928 10.630 4.570 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -3.439 8.338 4.198 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.191 10.110 5.617 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.448 8.964 5.426 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.713 8.443 6.466 1.00 0.00 O ATOM 0 H TYR A 75 -7.968 11.428 0.809 1.00 0.00 H new ATOM 0 HA TYR A 75 -7.036 8.887 2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.205 10.432 1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.843 11.665 2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.169 8.372 2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.509 11.528 4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.857 7.440 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.197 10.599 6.580 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.676 7.467 6.384 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.546 9.316 3.922 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.381 9.524 5.098 1.00 0.00 C ATOM 1221 C PHE A 76 -9.054 8.515 6.193 1.00 0.00 C ATOM 1222 O PHE A 76 -8.262 7.595 5.988 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.858 9.417 4.719 1.00 0.00 C ATOM 1224 CG PHE A 76 -11.167 8.230 3.850 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.742 8.192 2.531 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.879 7.155 4.351 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.024 7.101 1.731 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -12.164 6.062 3.556 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.735 6.035 2.243 1.00 0.00 C ATOM 0 H PHE A 76 -8.447 8.340 3.643 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.177 10.523 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.455 9.357 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.159 10.327 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.185 9.023 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.216 7.171 5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.688 7.083 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.721 5.230 3.960 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.956 5.182 1.619 1.00 0.00 H new ATOM 1239 N TYR A 77 -9.670 8.694 7.357 1.00 0.00 N ATOM 1240 CA TYR A 77 -9.446 7.799 8.486 1.00 0.00 C ATOM 1241 C TYR A 77 -10.768 7.267 9.035 1.00 0.00 C ATOM 1242 O TYR A 77 -11.577 8.022 9.575 1.00 0.00 O ATOM 1243 CB TYR A 77 -8.676 8.522 9.592 1.00 0.00 C ATOM 1244 CG TYR A 77 -8.622 7.755 10.893 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -9.646 7.863 11.828 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -7.552 6.920 11.187 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -9.602 7.161 13.017 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -7.500 6.216 12.375 1.00 0.00 C ATOM 1249 CZ TYR A 77 -8.528 6.340 13.286 1.00 0.00 C ATOM 1250 OH TYR A 77 -8.482 5.640 14.470 1.00 0.00 O ATOM 0 H TYR A 77 -10.328 9.451 7.543 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.855 6.954 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.659 8.713 9.250 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.139 9.492 9.771 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.489 8.506 11.621 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.746 6.819 10.475 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.405 7.255 13.733 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.659 5.573 12.589 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.330 5.751 14.949 1.00 0.00 H new ATOM 1260 N LEU A 78 -10.977 5.961 8.897 1.00 0.00 N ATOM 1261 CA LEU A 78 -12.199 5.325 9.382 1.00 0.00 C ATOM 1262 C LEU A 78 -12.135 5.116 10.892 1.00 0.00 C ATOM 1263 O LEU A 78 -11.156 5.491 11.539 1.00 0.00 O ATOM 1264 CB LEU A 78 -12.413 3.978 8.683 1.00 0.00 C ATOM 1265 CG LEU A 78 -12.817 4.052 7.205 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -14.304 4.344 7.071 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.997 5.101 6.468 1.00 0.00 C ATOM 0 H LEU A 78 -10.317 5.322 8.454 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.037 5.983 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.493 3.399 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.183 3.427 9.224 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.613 3.083 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.572 4.393 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.875 3.551 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.532 5.297 7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.303 5.133 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.161 6.077 6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.939 4.845 6.529 1.00 0.00 H new ATOM 1279 N GLY A 79 -13.179 4.511 11.448 1.00 0.00 N ATOM 1280 CA GLY A 79 -13.214 4.259 12.878 1.00 0.00 C ATOM 1281 C GLY A 79 -12.071 3.372 13.328 1.00 0.00 C ATOM 1282 O GLY A 79 -12.189 2.147 13.328 1.00 0.00 O ATOM 0 H GLY A 79 -14.001 4.191 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.169 5.207 13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.162 3.789 13.140 1.00 0.00 H new ATOM 1286 N GLN A 80 -10.956 3.990 13.706 1.00 0.00 N ATOM 1287 CA GLN A 80 -9.784 3.246 14.151 1.00 0.00 C ATOM 1288 C GLN A 80 -9.025 2.676 12.958 1.00 0.00 C ATOM 1289 O GLN A 80 -8.268 1.716 13.092 1.00 0.00 O ATOM 1290 CB GLN A 80 -10.193 2.115 15.097 1.00 0.00 C ATOM 1291 CG GLN A 80 -10.834 2.598 16.387 1.00 0.00 C ATOM 1292 CD GLN A 80 -11.632 1.511 17.080 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -12.855 1.595 17.188 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -10.940 0.482 17.557 1.00 0.00 N ATOM 0 H GLN A 80 -10.840 5.003 13.713 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.130 3.934 14.687 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.890 1.456 14.580 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.312 1.520 15.340 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.058 2.961 17.061 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.488 3.443 16.170 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.927 0.453 17.445 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.422 -0.279 18.035 1.00 0.00 H new ATOM 1303 N VAL A 81 -9.239 3.274 11.791 1.00 0.00 N ATOM 1304 CA VAL A 81 -8.582 2.828 10.569 1.00 0.00 C ATOM 1305 C VAL A 81 -8.400 3.988 9.595 1.00 0.00 C ATOM 1306 O VAL A 81 -8.920 5.081 9.813 1.00 0.00 O ATOM 1307 CB VAL A 81 -9.383 1.707 9.881 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -8.725 1.300 8.572 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -9.525 0.511 10.809 1.00 0.00 C ATOM 0 H VAL A 81 -9.864 4.070 11.666 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.604 2.439 10.852 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.380 2.085 9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.308 0.507 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.680 2.160 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.715 0.940 8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.093 -0.273 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.536 0.133 11.069 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.047 0.815 11.716 1.00 0.00 H new ATOM 1319 N ALA A 82 -7.658 3.743 8.519 1.00 0.00 N ATOM 1320 CA ALA A 82 -7.408 4.768 7.515 1.00 0.00 C ATOM 1321 C ALA A 82 -7.269 4.152 6.128 1.00 0.00 C ATOM 1322 O ALA A 82 -6.889 2.989 5.990 1.00 0.00 O ATOM 1323 CB ALA A 82 -6.160 5.561 7.872 1.00 0.00 C ATOM 0 H ALA A 82 -7.220 2.843 8.321 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.262 5.445 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.984 6.324 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.298 6.039 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.303 4.889 7.917 1.00 0.00 H new ATOM 1329 N ILE A 83 -7.578 4.938 5.103 1.00 0.00 N ATOM 1330 CA ILE A 83 -7.488 4.466 3.728 1.00 0.00 C ATOM 1331 C ILE A 83 -6.841 5.514 2.828 1.00 0.00 C ATOM 1332 O ILE A 83 -7.270 6.669 2.793 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.874 4.102 3.160 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -9.873 3.854 4.294 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.772 2.878 2.263 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.580 2.604 5.096 1.00 0.00 C ATOM 0 H ILE A 83 -7.893 5.904 5.199 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.867 3.570 3.745 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.234 4.941 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.871 4.714 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.876 3.779 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.758 2.632 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.093 3.088 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.392 2.035 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.327 2.492 5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.611 1.735 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.590 2.684 5.546 1.00 0.00 H new ATOM 1348 N LEU A 84 -5.808 5.101 2.099 1.00 0.00 N ATOM 1349 CA LEU A 84 -5.096 5.996 1.194 1.00 0.00 C ATOM 1350 C LEU A 84 -5.338 5.596 -0.260 1.00 0.00 C ATOM 1351 O LEU A 84 -4.561 4.840 -0.843 1.00 0.00 O ATOM 1352 CB LEU A 84 -3.595 5.976 1.505 1.00 0.00 C ATOM 1353 CG LEU A 84 -2.678 6.348 0.337 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -2.641 7.856 0.147 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -1.276 5.802 0.570 1.00 0.00 C ATOM 0 H LEU A 84 -5.445 4.148 2.118 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.474 7.008 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.403 6.663 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.326 4.978 1.852 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.076 5.899 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.984 8.102 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.646 8.221 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.266 8.328 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.635 6.074 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.869 6.224 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.318 4.716 0.657 1.00 0.00 H new ATOM 1367 N LEU A 85 -6.422 6.105 -0.837 1.00 0.00 N ATOM 1368 CA LEU A 85 -6.769 5.794 -2.221 1.00 0.00 C ATOM 1369 C LEU A 85 -6.208 6.841 -3.177 1.00 0.00 C ATOM 1370 O LEU A 85 -6.452 8.036 -3.019 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.290 5.709 -2.382 1.00 0.00 C ATOM 1372 CG LEU A 85 -8.810 4.379 -2.930 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -8.861 3.334 -1.828 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.183 4.560 -3.557 1.00 0.00 C ATOM 0 H LEU A 85 -7.075 6.734 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.326 4.829 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.753 5.891 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.615 6.510 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.123 4.033 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.233 2.394 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.860 3.183 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.526 3.674 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.537 3.603 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.881 4.929 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.118 5.278 -4.375 1.00 0.00 H new ATOM 1386 N PHE A 86 -5.461 6.378 -4.171 1.00 0.00 N ATOM 1387 CA PHE A 86 -4.869 7.273 -5.161 1.00 0.00 C ATOM 1388 C PHE A 86 -4.343 6.491 -6.361 1.00 0.00 C ATOM 1389 O PHE A 86 -3.683 5.467 -6.205 1.00 0.00 O ATOM 1390 CB PHE A 86 -3.739 8.095 -4.530 1.00 0.00 C ATOM 1391 CG PHE A 86 -2.409 7.392 -4.509 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -2.104 6.489 -3.503 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -1.466 7.640 -5.493 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -0.880 5.845 -3.480 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -0.242 6.999 -5.475 1.00 0.00 C ATOM 1396 CZ PHE A 86 0.052 6.101 -4.468 1.00 0.00 C ATOM 0 H PHE A 86 -5.250 5.390 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.647 7.951 -5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.635 9.031 -5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.018 8.353 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.829 6.286 -2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.690 8.342 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.653 5.143 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.485 7.200 -6.248 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.008 5.600 -4.452 1.00 0.00 H new ATOM 1406 N LYS A 87 -4.640 6.984 -7.560 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.193 6.332 -8.786 1.00 0.00 C ATOM 1408 C LYS A 87 -3.023 7.090 -9.402 1.00 0.00 C ATOM 1409 O LYS A 87 -2.371 7.892 -8.733 1.00 0.00 O ATOM 1410 CB LYS A 87 -5.340 6.232 -9.797 1.00 0.00 C ATOM 1411 CG LYS A 87 -6.664 6.776 -9.285 1.00 0.00 C ATOM 1412 CD LYS A 87 -7.837 5.944 -9.781 1.00 0.00 C ATOM 1413 CE LYS A 87 -7.857 5.858 -11.300 1.00 0.00 C ATOM 1414 NZ LYS A 87 -8.708 6.918 -11.908 1.00 0.00 N ATOM 0 H LYS A 87 -5.188 7.832 -7.708 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.864 5.325 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.062 6.773 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.473 5.187 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.658 6.785 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.785 7.809 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.777 4.941 -9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.770 6.382 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.840 5.947 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.227 4.878 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.846 6.715 -12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.631 6.939 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.242 7.841 -11.801 1.00 0.00 H new ATOM 1428 N SER A 88 -2.760 6.833 -10.679 1.00 0.00 N ATOM 1429 CA SER A 88 -1.664 7.495 -11.377 1.00 0.00 C ATOM 1430 C SER A 88 -2.008 7.720 -12.842 1.00 0.00 C ATOM 1431 O SER A 88 -1.130 7.942 -13.676 1.00 0.00 O ATOM 1432 CB SER A 88 -0.391 6.663 -11.267 1.00 0.00 C ATOM 1433 OG SER A 88 0.456 7.153 -10.241 1.00 0.00 O ATOM 0 H SER A 88 -3.289 6.173 -11.250 1.00 0.00 H new ATOM 0 HA SER A 88 -1.501 8.465 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.649 5.624 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.140 6.679 -12.219 1.00 0.00 H new ATOM 0 HG SER A 88 1.309 6.670 -10.262 1.00 0.00 H new ATOM 1439 N GLY A 89 -3.293 7.662 -13.137 1.00 0.00 N ATOM 1440 CA GLY A 89 -3.757 7.859 -14.498 1.00 0.00 C ATOM 1441 C GLY A 89 -5.003 7.054 -14.811 1.00 0.00 C ATOM 1442 O GLY A 89 -5.129 6.575 -15.957 1.00 0.00 O ATOM 1443 OXT GLY A 89 -5.852 6.900 -13.908 1.00 0.00 O ATOM 0 H GLY A 89 -4.031 7.481 -12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.963 8.917 -14.658 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.964 7.580 -15.192 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 22.180 -6.174 14.259 1.00 0.00 N ATOM 1449 CA MET B 1 23.227 -5.858 13.254 1.00 0.00 C ATOM 1450 C MET B 1 22.609 -5.509 11.904 1.00 0.00 C ATOM 1451 O MET B 1 21.542 -4.897 11.839 1.00 0.00 O ATOM 1452 CB MET B 1 24.151 -7.071 13.114 1.00 0.00 C ATOM 1453 CG MET B 1 25.022 -7.320 14.336 1.00 0.00 C ATOM 1454 SD MET B 1 26.338 -6.098 14.516 1.00 0.00 S ATOM 1455 CE MET B 1 27.103 -6.645 16.040 1.00 0.00 C ATOM 0 H1 MET B 1 22.410 -5.707 15.159 1.00 0.00 H new ATOM 0 H2 MET B 1 21.258 -5.834 13.918 1.00 0.00 H new ATOM 0 H3 MET B 1 22.138 -7.203 14.404 1.00 0.00 H new ATOM 0 HA MET B 1 23.794 -4.990 13.590 1.00 0.00 H new ATOM 0 HB2 MET B 1 23.546 -7.957 12.923 1.00 0.00 H new ATOM 0 HB3 MET B 1 24.792 -6.930 12.244 1.00 0.00 H new ATOM 0 HG2 MET B 1 24.398 -7.310 15.230 1.00 0.00 H new ATOM 0 HG3 MET B 1 25.463 -8.315 14.266 1.00 0.00 H new ATOM 0 HE1 MET B 1 27.937 -5.987 16.285 1.00 0.00 H new ATOM 0 HE2 MET B 1 26.369 -6.617 16.846 1.00 0.00 H new ATOM 0 HE3 MET B 1 27.469 -7.664 15.918 1.00 0.00 H new ATOM 1467 N CYS B 2 23.283 -5.901 10.828 1.00 0.00 N ATOM 1468 CA CYS B 2 22.796 -5.629 9.480 1.00 0.00 C ATOM 1469 C CYS B 2 22.196 -4.230 9.393 1.00 0.00 C ATOM 1470 O CYS B 2 21.003 -4.039 9.631 1.00 0.00 O ATOM 1471 CB CYS B 2 21.752 -6.668 9.071 1.00 0.00 C ATOM 1472 SG CYS B 2 22.354 -8.373 9.110 1.00 0.00 S ATOM 0 H CYS B 2 24.168 -6.408 10.863 1.00 0.00 H new ATOM 0 HA CYS B 2 23.643 -5.688 8.796 1.00 0.00 H new ATOM 0 HB2 CYS B 2 20.891 -6.583 9.734 1.00 0.00 H new ATOM 0 HB3 CYS B 2 21.403 -6.440 8.064 1.00 0.00 H new ATOM 0 HG CYS B 2 21.399 -9.179 8.751 1.00 0.00 H new ATOM 1478 N ASP B 3 23.029 -3.254 9.049 1.00 0.00 N ATOM 1479 CA ASP B 3 22.580 -1.873 8.929 1.00 0.00 C ATOM 1480 C ASP B 3 21.337 -1.781 8.052 1.00 0.00 C ATOM 1481 O ASP B 3 20.628 -0.775 8.066 1.00 0.00 O ATOM 1482 CB ASP B 3 23.694 -0.998 8.351 1.00 0.00 C ATOM 1483 CG ASP B 3 23.546 0.458 8.747 1.00 0.00 C ATOM 1484 OD1 ASP B 3 22.397 0.945 8.802 1.00 0.00 O ATOM 1485 OD2 ASP B 3 24.580 1.111 9.001 1.00 0.00 O ATOM 0 H ASP B 3 24.019 -3.394 8.848 1.00 0.00 H new ATOM 0 HA ASP B 3 22.327 -1.512 9.926 1.00 0.00 H new ATOM 0 HB2 ASP B 3 24.660 -1.369 8.694 1.00 0.00 H new ATOM 0 HB3 ASP B 3 23.690 -1.079 7.264 1.00 0.00 H new ATOM 1490 N ARG B 4 21.076 -2.841 7.292 1.00 0.00 N ATOM 1491 CA ARG B 4 19.915 -2.880 6.411 1.00 0.00 C ATOM 1492 C ARG B 4 18.633 -2.621 7.196 1.00 0.00 C ATOM 1493 O ARG B 4 17.874 -1.705 6.880 1.00 0.00 O ATOM 1494 CB ARG B 4 19.830 -4.232 5.703 1.00 0.00 C ATOM 1495 CG ARG B 4 21.103 -4.609 4.963 1.00 0.00 C ATOM 1496 CD ARG B 4 21.516 -3.528 3.977 1.00 0.00 C ATOM 1497 NE ARG B 4 22.965 -3.349 3.939 1.00 0.00 N ATOM 1498 CZ ARG B 4 23.792 -4.170 3.299 1.00 0.00 C ATOM 1499 NH1 ARG B 4 23.313 -5.220 2.645 1.00 0.00 N ATOM 1500 NH2 ARG B 4 25.099 -3.941 3.311 1.00 0.00 N ATOM 0 H ARG B 4 21.652 -3.682 7.269 1.00 0.00 H new ATOM 0 HA ARG B 4 20.029 -2.095 5.663 1.00 0.00 H new ATOM 0 HB2 ARG B 4 19.604 -5.005 6.438 1.00 0.00 H new ATOM 0 HB3 ARG B 4 19.001 -4.212 4.996 1.00 0.00 H new ATOM 0 HG2 ARG B 4 21.907 -4.774 5.681 1.00 0.00 H new ATOM 0 HG3 ARG B 4 20.951 -5.549 4.432 1.00 0.00 H new ATOM 0 HD2 ARG B 4 21.156 -3.788 2.982 1.00 0.00 H new ATOM 0 HD3 ARG B 4 21.041 -2.586 4.251 1.00 0.00 H new ATOM 0 HE ARG B 4 23.365 -2.550 4.431 1.00 0.00 H new ATOM 0 HH11 ARG B 4 22.309 -5.398 2.633 1.00 0.00 H new ATOM 0 HH12 ARG B 4 23.949 -5.849 2.154 1.00 0.00 H new ATOM 0 HH21 ARG B 4 25.471 -3.134 3.812 1.00 0.00 H new ATOM 0 HH22 ARG B 4 25.732 -4.572 2.819 1.00 0.00 H new ATOM 1514 N LYS B 5 18.402 -3.432 8.223 1.00 0.00 N ATOM 1515 CA LYS B 5 17.215 -3.288 9.056 1.00 0.00 C ATOM 1516 C LYS B 5 15.946 -3.499 8.236 1.00 0.00 C ATOM 1517 O LYS B 5 16.007 -3.845 7.057 1.00 0.00 O ATOM 1518 CB LYS B 5 17.188 -1.902 9.704 1.00 0.00 C ATOM 1519 CG LYS B 5 17.835 -1.858 11.077 1.00 0.00 C ATOM 1520 CD LYS B 5 16.912 -1.229 12.107 1.00 0.00 C ATOM 1521 CE LYS B 5 16.591 -2.197 13.234 1.00 0.00 C ATOM 1522 NZ LYS B 5 17.696 -3.168 13.463 1.00 0.00 N ATOM 0 H LYS B 5 19.021 -4.195 8.498 1.00 0.00 H new ATOM 0 HA LYS B 5 17.255 -4.048 9.836 1.00 0.00 H new ATOM 0 HB2 LYS B 5 17.697 -1.195 9.049 1.00 0.00 H new ATOM 0 HB3 LYS B 5 16.153 -1.570 9.789 1.00 0.00 H new ATOM 0 HG2 LYS B 5 18.096 -2.869 11.390 1.00 0.00 H new ATOM 0 HG3 LYS B 5 18.764 -1.290 11.025 1.00 0.00 H new ATOM 0 HD2 LYS B 5 17.380 -0.334 12.517 1.00 0.00 H new ATOM 0 HD3 LYS B 5 15.988 -0.913 11.624 1.00 0.00 H new ATOM 0 HE2 LYS B 5 16.403 -1.638 14.151 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.675 -2.738 12.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 17.638 -3.537 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 17.612 -3.955 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 18.610 -2.692 13.327 1.00 0.00 H new ATOM 1536 N ALA B 6 14.799 -3.283 8.870 1.00 0.00 N ATOM 1537 CA ALA B 6 13.515 -3.443 8.201 1.00 0.00 C ATOM 1538 C ALA B 6 13.198 -4.911 7.948 1.00 0.00 C ATOM 1539 O ALA B 6 14.049 -5.783 8.120 1.00 0.00 O ATOM 1540 CB ALA B 6 13.504 -2.670 6.892 1.00 0.00 C ATOM 0 H ALA B 6 14.733 -2.997 9.847 1.00 0.00 H new ATOM 0 HA ALA B 6 12.743 -3.043 8.859 1.00 0.00 H new ATOM 0 HB1 ALA B 6 12.539 -2.798 6.402 1.00 0.00 H new ATOM 0 HB2 ALA B 6 13.672 -1.612 7.093 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.294 -3.045 6.241 1.00 0.00 H new ATOM 1546 N VAL B 7 11.964 -5.171 7.530 1.00 0.00 N ATOM 1547 CA VAL B 7 11.519 -6.525 7.240 1.00 0.00 C ATOM 1548 C VAL B 7 10.754 -6.561 5.924 1.00 0.00 C ATOM 1549 O VAL B 7 9.548 -6.802 5.904 1.00 0.00 O ATOM 1550 CB VAL B 7 10.619 -7.077 8.362 1.00 0.00 C ATOM 1551 CG1 VAL B 7 10.124 -8.472 8.012 1.00 0.00 C ATOM 1552 CG2 VAL B 7 11.361 -7.084 9.689 1.00 0.00 C ATOM 0 H VAL B 7 11.252 -4.455 7.384 1.00 0.00 H new ATOM 0 HA VAL B 7 12.409 -7.151 7.168 1.00 0.00 H new ATOM 0 HB VAL B 7 9.753 -6.423 8.461 1.00 0.00 H new ATOM 0 HG11 VAL B 7 9.490 -8.845 8.816 1.00 0.00 H new ATOM 0 HG12 VAL B 7 9.550 -8.433 7.086 1.00 0.00 H new ATOM 0 HG13 VAL B 7 10.977 -9.139 7.883 1.00 0.00 H new ATOM 0 HG21 VAL B 7 10.709 -7.477 10.469 1.00 0.00 H new ATOM 0 HG22 VAL B 7 12.248 -7.713 9.607 1.00 0.00 H new ATOM 0 HG23 VAL B 7 11.659 -6.067 9.944 1.00 0.00 H new ATOM 1562 N ILE B 8 11.467 -6.307 4.832 1.00 0.00 N ATOM 1563 CA ILE B 8 10.867 -6.302 3.505 1.00 0.00 C ATOM 1564 C ILE B 8 9.671 -7.253 3.443 1.00 0.00 C ATOM 1565 O ILE B 8 9.699 -8.342 4.015 1.00 0.00 O ATOM 1566 CB ILE B 8 11.922 -6.663 2.421 1.00 0.00 C ATOM 1567 CG1 ILE B 8 12.449 -5.388 1.761 1.00 0.00 C ATOM 1568 CG2 ILE B 8 11.363 -7.606 1.360 1.00 0.00 C ATOM 1569 CD1 ILE B 8 13.598 -4.749 2.509 1.00 0.00 C ATOM 0 H ILE B 8 12.466 -6.101 4.842 1.00 0.00 H new ATOM 0 HA ILE B 8 10.505 -5.294 3.301 1.00 0.00 H new ATOM 0 HB ILE B 8 12.738 -7.184 2.922 1.00 0.00 H new ATOM 0 HG12 ILE B 8 12.772 -5.621 0.746 1.00 0.00 H new ATOM 0 HG13 ILE B 8 11.635 -4.668 1.679 1.00 0.00 H new ATOM 0 HG21 ILE B 8 12.138 -7.828 0.626 1.00 0.00 H new ATOM 0 HG22 ILE B 8 11.035 -8.532 1.833 1.00 0.00 H new ATOM 0 HG23 ILE B 8 10.517 -7.133 0.862 1.00 0.00 H new ATOM 0 HD11 ILE B 8 13.920 -3.850 1.983 1.00 0.00 H new ATOM 0 HD12 ILE B 8 13.274 -4.484 3.516 1.00 0.00 H new ATOM 0 HD13 ILE B 8 14.429 -5.452 2.568 1.00 0.00 H new ATOM 1581 N LYS B 9 8.626 -6.828 2.742 1.00 0.00 N ATOM 1582 CA LYS B 9 7.419 -7.633 2.596 1.00 0.00 C ATOM 1583 C LYS B 9 6.983 -7.687 1.137 1.00 0.00 C ATOM 1584 O LYS B 9 5.983 -8.323 0.800 1.00 0.00 O ATOM 1585 CB LYS B 9 6.292 -7.060 3.456 1.00 0.00 C ATOM 1586 CG LYS B 9 6.710 -6.764 4.887 1.00 0.00 C ATOM 1587 CD LYS B 9 6.311 -7.890 5.827 1.00 0.00 C ATOM 1588 CE LYS B 9 7.206 -7.933 7.054 1.00 0.00 C ATOM 1589 NZ LYS B 9 6.422 -8.104 8.308 1.00 0.00 N ATOM 0 H LYS B 9 8.591 -5.927 2.264 1.00 0.00 H new ATOM 0 HA LYS B 9 7.641 -8.646 2.931 1.00 0.00 H new ATOM 0 HB2 LYS B 9 5.926 -6.142 2.996 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.461 -7.765 3.467 1.00 0.00 H new ATOM 0 HG2 LYS B 9 7.789 -6.618 4.929 1.00 0.00 H new ATOM 0 HG3 LYS B 9 6.249 -5.833 5.217 1.00 0.00 H new ATOM 0 HD2 LYS B 9 5.274 -7.758 6.136 1.00 0.00 H new ATOM 0 HD3 LYS B 9 6.368 -8.843 5.300 1.00 0.00 H new ATOM 0 HE2 LYS B 9 7.917 -8.753 6.956 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.787 -7.013 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 7.069 -8.128 9.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 5.761 -7.308 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 5.887 -8.995 8.264 1.00 0.00 H new ATOM 1603 N ASN B 10 7.738 -7.014 0.276 1.00 0.00 N ATOM 1604 CA ASN B 10 7.432 -6.981 -1.149 1.00 0.00 C ATOM 1605 C ASN B 10 8.326 -5.978 -1.870 1.00 0.00 C ATOM 1606 O ASN B 10 7.962 -4.815 -2.040 1.00 0.00 O ATOM 1607 CB ASN B 10 5.965 -6.617 -1.369 1.00 0.00 C ATOM 1608 CG ASN B 10 5.336 -7.416 -2.493 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.031 -7.496 -3.622 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 4.239 -7.956 -2.350 1.00 0.00 N flip ATOM 0 H ASN B 10 8.568 -6.483 0.541 1.00 0.00 H new ATOM 0 HA ASN B 10 7.619 -7.974 -1.559 1.00 0.00 H new ATOM 0 HB2 ASN B 10 5.408 -6.789 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN B 10 5.887 -5.553 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN B 10 3.739 -7.869 -1.465 1.00 0.00 H new ATOM 0 HD22 ASN B 10 3.830 -8.491 -3.116 1.00 0.00 H new ATOM 1617 N ALA B 11 9.502 -6.436 -2.286 1.00 0.00 N ATOM 1618 CA ALA B 11 10.450 -5.577 -2.983 1.00 0.00 C ATOM 1619 C ALA B 11 10.753 -6.097 -4.382 1.00 0.00 C ATOM 1620 O ALA B 11 11.687 -6.875 -4.577 1.00 0.00 O ATOM 1621 CB ALA B 11 11.735 -5.455 -2.183 1.00 0.00 C ATOM 0 H ALA B 11 9.820 -7.396 -2.152 1.00 0.00 H new ATOM 0 HA ALA B 11 9.993 -4.592 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.435 -4.811 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA B 11 11.516 -5.024 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.178 -6.442 -2.053 1.00 0.00 H new ATOM 1627 N ASP B 12 9.965 -5.656 -5.356 1.00 0.00 N ATOM 1628 CA ASP B 12 10.159 -6.070 -6.739 1.00 0.00 C ATOM 1629 C ASP B 12 11.088 -5.098 -7.458 1.00 0.00 C ATOM 1630 O ASP B 12 10.981 -4.896 -8.667 1.00 0.00 O ATOM 1631 CB ASP B 12 8.817 -6.155 -7.466 1.00 0.00 C ATOM 1632 CG ASP B 12 8.442 -7.580 -7.822 1.00 0.00 C ATOM 1633 OD1 ASP B 12 9.356 -8.381 -8.107 1.00 0.00 O ATOM 1634 OD2 ASP B 12 7.233 -7.895 -7.815 1.00 0.00 O ATOM 0 H ASP B 12 9.187 -5.012 -5.213 1.00 0.00 H new ATOM 0 HA ASP B 12 10.618 -7.059 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.038 -5.724 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.861 -5.556 -8.375 1.00 0.00 H new ATOM 1639 N MET B 13 12.000 -4.500 -6.697 1.00 0.00 N ATOM 1640 CA MET B 13 12.956 -3.547 -7.247 1.00 0.00 C ATOM 1641 C MET B 13 14.385 -4.055 -7.077 1.00 0.00 C ATOM 1642 O MET B 13 14.626 -5.024 -6.357 1.00 0.00 O ATOM 1643 CB MET B 13 12.799 -2.188 -6.559 1.00 0.00 C ATOM 1644 CG MET B 13 13.992 -1.265 -6.746 1.00 0.00 C ATOM 1645 SD MET B 13 13.552 0.479 -6.611 1.00 0.00 S ATOM 1646 CE MET B 13 12.878 0.532 -4.952 1.00 0.00 C ATOM 0 H MET B 13 12.096 -4.660 -5.694 1.00 0.00 H new ATOM 0 HA MET B 13 12.754 -3.434 -8.312 1.00 0.00 H new ATOM 0 HB2 MET B 13 11.907 -1.696 -6.946 1.00 0.00 H new ATOM 0 HB3 MET B 13 12.638 -2.347 -5.493 1.00 0.00 H new ATOM 0 HG2 MET B 13 14.750 -1.503 -6.000 1.00 0.00 H new ATOM 0 HG3 MET B 13 14.438 -1.448 -7.724 1.00 0.00 H new ATOM 0 HE1 MET B 13 11.792 0.603 -5.003 1.00 0.00 H new ATOM 0 HE2 MET B 13 13.158 -0.375 -4.417 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.274 1.400 -4.426 1.00 0.00 H new ATOM 1656 N SER B 14 15.328 -3.397 -7.744 1.00 0.00 N ATOM 1657 CA SER B 14 16.733 -3.784 -7.666 1.00 0.00 C ATOM 1658 C SER B 14 17.131 -4.110 -6.229 1.00 0.00 C ATOM 1659 O SER B 14 16.694 -3.447 -5.288 1.00 0.00 O ATOM 1660 CB SER B 14 17.623 -2.664 -8.207 1.00 0.00 C ATOM 1661 OG SER B 14 18.833 -2.573 -7.475 1.00 0.00 O ATOM 0 H SER B 14 15.145 -2.593 -8.345 1.00 0.00 H new ATOM 0 HA SER B 14 16.870 -4.678 -8.275 1.00 0.00 H new ATOM 0 HB2 SER B 14 17.844 -2.847 -9.259 1.00 0.00 H new ATOM 0 HB3 SER B 14 17.090 -1.715 -8.154 1.00 0.00 H new ATOM 0 HG SER B 14 19.384 -1.851 -7.842 1.00 0.00 H new ATOM 1667 N GLU B 15 17.966 -5.132 -6.067 1.00 0.00 N ATOM 1668 CA GLU B 15 18.426 -5.539 -4.744 1.00 0.00 C ATOM 1669 C GLU B 15 19.004 -4.350 -3.986 1.00 0.00 C ATOM 1670 O GLU B 15 18.535 -4.002 -2.903 1.00 0.00 O ATOM 1671 CB GLU B 15 19.477 -6.645 -4.861 1.00 0.00 C ATOM 1672 CG GLU B 15 19.058 -7.956 -4.215 1.00 0.00 C ATOM 1673 CD GLU B 15 20.183 -8.608 -3.434 1.00 0.00 C ATOM 1674 OE1 GLU B 15 21.323 -8.103 -3.504 1.00 0.00 O ATOM 1675 OE2 GLU B 15 19.922 -9.622 -2.753 1.00 0.00 O ATOM 0 H GLU B 15 18.337 -5.692 -6.834 1.00 0.00 H new ATOM 0 HA GLU B 15 17.570 -5.923 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU B 15 19.690 -6.821 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU B 15 20.404 -6.303 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU B 15 18.215 -7.775 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.711 -8.643 -4.987 1.00 0.00 H new ATOM 1682 N GLU B 16 20.023 -3.724 -4.567 1.00 0.00 N ATOM 1683 CA GLU B 16 20.659 -2.568 -3.949 1.00 0.00 C ATOM 1684 C GLU B 16 19.638 -1.464 -3.705 1.00 0.00 C ATOM 1685 O GLU B 16 19.800 -0.638 -2.808 1.00 0.00 O ATOM 1686 CB GLU B 16 21.790 -2.043 -4.834 1.00 0.00 C ATOM 1687 CG GLU B 16 22.744 -3.126 -5.312 1.00 0.00 C ATOM 1688 CD GLU B 16 22.949 -3.100 -6.813 1.00 0.00 C ATOM 1689 OE1 GLU B 16 23.280 -2.021 -7.349 1.00 0.00 O ATOM 1690 OE2 GLU B 16 22.777 -4.158 -7.454 1.00 0.00 O ATOM 0 H GLU B 16 20.425 -3.998 -5.464 1.00 0.00 H new ATOM 0 HA GLU B 16 21.076 -2.880 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU B 16 21.359 -1.542 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU B 16 22.354 -1.292 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU B 16 23.706 -3.003 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU B 16 22.357 -4.102 -5.019 1.00 0.00 H new ATOM 1697 N MET B 17 18.582 -1.458 -4.511 1.00 0.00 N ATOM 1698 CA MET B 17 17.531 -0.458 -4.382 1.00 0.00 C ATOM 1699 C MET B 17 16.662 -0.749 -3.163 1.00 0.00 C ATOM 1700 O MET B 17 16.334 0.155 -2.394 1.00 0.00 O ATOM 1701 CB MET B 17 16.669 -0.424 -5.646 1.00 0.00 C ATOM 1702 CG MET B 17 17.324 0.301 -6.810 1.00 0.00 C ATOM 1703 SD MET B 17 16.341 1.689 -7.409 1.00 0.00 S ATOM 1704 CE MET B 17 16.285 2.722 -5.946 1.00 0.00 C ATOM 0 H MET B 17 18.432 -2.134 -5.260 1.00 0.00 H new ATOM 0 HA MET B 17 18.000 0.517 -4.251 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.441 -1.446 -5.948 1.00 0.00 H new ATOM 0 HB3 MET B 17 15.720 0.060 -5.415 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.305 0.662 -6.502 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.486 -0.403 -7.626 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.232 3.770 -6.242 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.406 2.467 -5.354 1.00 0.00 H new ATOM 0 HE3 MET B 17 17.183 2.558 -5.350 1.00 0.00 H new ATOM 1714 N GLN B 18 16.300 -2.017 -2.990 1.00 0.00 N ATOM 1715 CA GLN B 18 15.475 -2.426 -1.860 1.00 0.00 C ATOM 1716 C GLN B 18 16.224 -2.225 -0.549 1.00 0.00 C ATOM 1717 O GLN B 18 15.637 -1.833 0.461 1.00 0.00 O ATOM 1718 CB GLN B 18 15.058 -3.890 -2.002 1.00 0.00 C ATOM 1719 CG GLN B 18 15.994 -4.706 -2.877 1.00 0.00 C ATOM 1720 CD GLN B 18 15.257 -5.463 -3.963 1.00 0.00 C ATOM 1721 OE1 GLN B 18 15.862 -6.193 -4.747 1.00 0.00 O ATOM 1722 NE2 GLN B 18 13.941 -5.292 -4.013 1.00 0.00 N ATOM 0 H GLN B 18 16.565 -2.777 -3.617 1.00 0.00 H new ATOM 0 HA GLN B 18 14.580 -1.804 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.012 -4.344 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN B 18 14.052 -3.934 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN B 18 16.729 -4.044 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN B 18 16.545 -5.412 -2.255 1.00 0.00 H new ATOM 0 HE21 GLN B 18 13.481 -4.677 -3.342 1.00 0.00 H new ATOM 0 HE22 GLN B 18 13.390 -5.776 -4.722 1.00 0.00 H new ATOM 1731 N GLN B 19 17.526 -2.487 -0.575 1.00 0.00 N ATOM 1732 CA GLN B 19 18.358 -2.324 0.606 1.00 0.00 C ATOM 1733 C GLN B 19 18.617 -0.847 0.848 1.00 0.00 C ATOM 1734 O GLN B 19 18.573 -0.371 1.984 1.00 0.00 O ATOM 1735 CB GLN B 19 19.680 -3.075 0.439 1.00 0.00 C ATOM 1736 CG GLN B 19 19.505 -4.544 0.093 1.00 0.00 C ATOM 1737 CD GLN B 19 19.099 -5.381 1.291 1.00 0.00 C ATOM 1738 OE1 GLN B 19 19.707 -5.292 2.359 1.00 0.00 O ATOM 1739 NE2 GLN B 19 18.068 -6.199 1.121 1.00 0.00 N ATOM 0 H GLN B 19 18.026 -2.813 -1.402 1.00 0.00 H new ATOM 0 HA GLN B 19 17.836 -2.741 1.467 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.266 -2.593 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.254 -2.994 1.362 1.00 0.00 H new ATOM 0 HG2 GLN B 19 18.750 -4.642 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN B 19 20.438 -4.931 -0.316 1.00 0.00 H new ATOM 0 HE21 GLN B 19 17.593 -6.241 0.219 1.00 0.00 H new ATOM 0 HE22 GLN B 19 17.750 -6.786 1.892 1.00 0.00 H new ATOM 1748 N ASP B 20 18.866 -0.121 -0.234 1.00 0.00 N ATOM 1749 CA ASP B 20 19.105 1.306 -0.143 1.00 0.00 C ATOM 1750 C ASP B 20 17.812 2.014 0.231 1.00 0.00 C ATOM 1751 O ASP B 20 17.823 3.072 0.861 1.00 0.00 O ATOM 1752 CB ASP B 20 19.646 1.854 -1.465 1.00 0.00 C ATOM 1753 CG ASP B 20 21.059 2.386 -1.335 1.00 0.00 C ATOM 1754 OD1 ASP B 20 21.389 2.937 -0.263 1.00 0.00 O ATOM 1755 OD2 ASP B 20 21.837 2.254 -2.303 1.00 0.00 O ATOM 0 H ASP B 20 18.907 -0.499 -1.180 1.00 0.00 H new ATOM 0 HA ASP B 20 19.854 1.488 0.628 1.00 0.00 H new ATOM 0 HB2 ASP B 20 19.625 1.066 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.992 2.651 -1.820 1.00 0.00 H new ATOM 1760 N SER B 21 16.694 1.404 -0.152 1.00 0.00 N ATOM 1761 CA SER B 21 15.381 1.951 0.149 1.00 0.00 C ATOM 1762 C SER B 21 15.124 1.899 1.649 1.00 0.00 C ATOM 1763 O SER B 21 14.697 2.883 2.251 1.00 0.00 O ATOM 1764 CB SER B 21 14.294 1.173 -0.596 1.00 0.00 C ATOM 1765 OG SER B 21 13.341 0.638 0.304 1.00 0.00 O ATOM 0 H SER B 21 16.675 0.527 -0.673 1.00 0.00 H new ATOM 0 HA SER B 21 15.354 2.990 -0.180 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.796 1.830 -1.309 1.00 0.00 H new ATOM 0 HB3 SER B 21 14.749 0.366 -1.170 1.00 0.00 H new ATOM 0 HG SER B 21 12.902 1.368 0.788 1.00 0.00 H new ATOM 1771 N VAL B 22 15.401 0.744 2.248 1.00 0.00 N ATOM 1772 CA VAL B 22 15.213 0.570 3.681 1.00 0.00 C ATOM 1773 C VAL B 22 16.039 1.589 4.453 1.00 0.00 C ATOM 1774 O VAL B 22 15.533 2.262 5.351 1.00 0.00 O ATOM 1775 CB VAL B 22 15.609 -0.846 4.142 1.00 0.00 C ATOM 1776 CG1 VAL B 22 15.565 -0.942 5.660 1.00 0.00 C ATOM 1777 CG2 VAL B 22 14.702 -1.890 3.509 1.00 0.00 C ATOM 0 H VAL B 22 15.755 -0.081 1.764 1.00 0.00 H new ATOM 0 HA VAL B 22 14.152 0.718 3.884 1.00 0.00 H new ATOM 0 HB VAL B 22 16.630 -1.042 3.815 1.00 0.00 H new ATOM 0 HG11 VAL B 22 15.847 -1.948 5.969 1.00 0.00 H new ATOM 0 HG12 VAL B 22 16.261 -0.222 6.090 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.556 -0.725 6.009 1.00 0.00 H new ATOM 0 HG21 VAL B 22 14.998 -2.883 3.847 1.00 0.00 H new ATOM 0 HG22 VAL B 22 13.669 -1.700 3.802 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.787 -1.836 2.424 1.00 0.00 H new ATOM 1787 N GLU B 23 17.314 1.704 4.090 1.00 0.00 N ATOM 1788 CA GLU B 23 18.206 2.652 4.747 1.00 0.00 C ATOM 1789 C GLU B 23 17.634 4.062 4.668 1.00 0.00 C ATOM 1790 O GLU B 23 17.713 4.827 5.629 1.00 0.00 O ATOM 1791 CB GLU B 23 19.596 2.611 4.110 1.00 0.00 C ATOM 1792 CG GLU B 23 20.213 1.223 4.088 1.00 0.00 C ATOM 1793 CD GLU B 23 20.777 0.814 5.435 1.00 0.00 C ATOM 1794 OE1 GLU B 23 20.119 1.084 6.461 1.00 0.00 O ATOM 1795 OE2 GLU B 23 21.878 0.225 5.462 1.00 0.00 O ATOM 0 H GLU B 23 17.750 1.155 3.349 1.00 0.00 H new ATOM 0 HA GLU B 23 18.295 2.368 5.796 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.530 2.987 3.089 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.257 3.285 4.655 1.00 0.00 H new ATOM 0 HG2 GLU B 23 19.459 0.499 3.779 1.00 0.00 H new ATOM 0 HG3 GLU B 23 21.007 1.194 3.342 1.00 0.00 H new ATOM 1802 N CYS B 24 17.045 4.397 3.524 1.00 0.00 N ATOM 1803 CA CYS B 24 16.449 5.713 3.338 1.00 0.00 C ATOM 1804 C CYS B 24 15.259 5.884 4.273 1.00 0.00 C ATOM 1805 O CYS B 24 15.031 6.967 4.820 1.00 0.00 O ATOM 1806 CB CYS B 24 16.011 5.907 1.884 1.00 0.00 C ATOM 1807 SG CYS B 24 16.546 7.473 1.157 1.00 0.00 S ATOM 0 H CYS B 24 16.968 3.778 2.717 1.00 0.00 H new ATOM 0 HA CYS B 24 17.198 6.469 3.575 1.00 0.00 H new ATOM 0 HB2 CYS B 24 16.405 5.087 1.284 1.00 0.00 H new ATOM 0 HB3 CYS B 24 14.924 5.847 1.832 1.00 0.00 H new ATOM 0 HG CYS B 24 16.051 7.587 -0.040 1.00 0.00 H new ATOM 1813 N ALA B 25 14.524 4.795 4.484 1.00 0.00 N ATOM 1814 CA ALA B 25 13.386 4.817 5.384 1.00 0.00 C ATOM 1815 C ALA B 25 13.906 4.984 6.792 1.00 0.00 C ATOM 1816 O ALA B 25 13.313 5.667 7.626 1.00 0.00 O ATOM 1817 CB ALA B 25 12.575 3.536 5.261 1.00 0.00 C ATOM 0 H ALA B 25 14.699 3.892 4.043 1.00 0.00 H new ATOM 0 HA ALA B 25 12.726 5.645 5.128 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.727 3.575 5.945 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.212 3.432 4.239 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.204 2.682 5.511 1.00 0.00 H new ATOM 1823 N THR B 26 15.054 4.362 7.022 1.00 0.00 N ATOM 1824 CA THR B 26 15.724 4.425 8.300 1.00 0.00 C ATOM 1825 C THR B 26 16.179 5.851 8.572 1.00 0.00 C ATOM 1826 O THR B 26 16.004 6.373 9.673 1.00 0.00 O ATOM 1827 CB THR B 26 16.924 3.485 8.294 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.595 2.258 7.668 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.440 3.168 9.673 1.00 0.00 C ATOM 0 H THR B 26 15.542 3.801 6.324 1.00 0.00 H new ATOM 0 HA THR B 26 15.035 4.118 9.086 1.00 0.00 H new ATOM 0 HB THR B 26 17.703 4.014 7.745 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.409 2.415 6.719 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.294 2.495 9.596 1.00 0.00 H new ATOM 0 HG22 THR B 26 17.748 4.090 10.167 1.00 0.00 H new ATOM 0 HG23 THR B 26 16.652 2.690 10.255 1.00 0.00 H new ATOM 1837 N GLN B 27 16.750 6.479 7.550 1.00 0.00 N ATOM 1838 CA GLN B 27 17.215 7.851 7.667 1.00 0.00 C ATOM 1839 C GLN B 27 16.097 8.726 8.210 1.00 0.00 C ATOM 1840 O GLN B 27 16.287 9.484 9.163 1.00 0.00 O ATOM 1841 CB GLN B 27 17.680 8.378 6.309 1.00 0.00 C ATOM 1842 CG GLN B 27 18.919 7.679 5.775 1.00 0.00 C ATOM 1843 CD GLN B 27 20.202 8.278 6.313 1.00 0.00 C ATOM 1844 OE1 GLN B 27 20.990 7.599 6.972 1.00 0.00 O ATOM 1845 NE2 GLN B 27 20.420 9.558 6.037 1.00 0.00 N ATOM 0 H GLN B 27 16.901 6.058 6.633 1.00 0.00 H new ATOM 0 HA GLN B 27 18.060 7.878 8.355 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.870 8.264 5.588 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.884 9.445 6.394 1.00 0.00 H new ATOM 0 HG2 GLN B 27 18.877 6.622 6.038 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.924 7.737 4.687 1.00 0.00 H new ATOM 0 HE21 GLN B 27 19.741 10.084 5.487 1.00 0.00 H new ATOM 0 HE22 GLN B 27 21.267 10.015 6.375 1.00 0.00 H new ATOM 1854 N ALA B 28 14.924 8.602 7.601 1.00 0.00 N ATOM 1855 CA ALA B 28 13.760 9.368 8.025 1.00 0.00 C ATOM 1856 C ALA B 28 13.180 8.794 9.314 1.00 0.00 C ATOM 1857 O ALA B 28 12.390 9.444 9.998 1.00 0.00 O ATOM 1858 CB ALA B 28 12.707 9.389 6.927 1.00 0.00 C ATOM 0 H ALA B 28 14.754 7.978 6.812 1.00 0.00 H new ATOM 0 HA ALA B 28 14.075 10.393 8.219 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.844 9.966 7.261 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.125 9.847 6.031 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.396 8.369 6.701 1.00 0.00 H new ATOM 1864 N LEU B 29 13.578 7.568 9.636 1.00 0.00 N ATOM 1865 CA LEU B 29 13.103 6.896 10.838 1.00 0.00 C ATOM 1866 C LEU B 29 13.892 7.338 12.067 1.00 0.00 C ATOM 1867 O LEU B 29 13.352 7.411 13.171 1.00 0.00 O ATOM 1868 CB LEU B 29 13.220 5.386 10.673 1.00 0.00 C ATOM 1869 CG LEU B 29 12.107 4.756 9.848 1.00 0.00 C ATOM 1870 CD1 LEU B 29 12.637 3.576 9.060 1.00 0.00 C ATOM 1871 CD2 LEU B 29 10.959 4.324 10.743 1.00 0.00 C ATOM 0 H LEU B 29 14.231 7.018 9.078 1.00 0.00 H new ATOM 0 HA LEU B 29 12.058 7.169 10.983 1.00 0.00 H new ATOM 0 HB2 LEU B 29 14.177 5.157 10.205 1.00 0.00 H new ATOM 0 HB3 LEU B 29 13.230 4.924 11.660 1.00 0.00 H new ATOM 0 HG LEU B 29 11.734 5.502 9.146 1.00 0.00 H new ATOM 0 HD11 LEU B 29 11.829 3.136 8.475 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.429 3.912 8.390 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.036 2.829 9.747 1.00 0.00 H new ATOM 0 HD21 LEU B 29 10.173 3.876 10.135 1.00 0.00 H new ATOM 0 HD22 LEU B 29 11.318 3.594 11.468 1.00 0.00 H new ATOM 0 HD23 LEU B 29 10.561 5.192 11.269 1.00 0.00 H new ATOM 1883 N GLU B 30 15.176 7.619 11.868 1.00 0.00 N ATOM 1884 CA GLU B 30 16.045 8.038 12.960 1.00 0.00 C ATOM 1885 C GLU B 30 15.949 9.542 13.202 1.00 0.00 C ATOM 1886 O GLU B 30 16.057 10.003 14.338 1.00 0.00 O ATOM 1887 CB GLU B 30 17.492 7.651 12.660 1.00 0.00 C ATOM 1888 CG GLU B 30 18.026 6.551 13.562 1.00 0.00 C ATOM 1889 CD GLU B 30 19.527 6.633 13.756 1.00 0.00 C ATOM 1890 OE1 GLU B 30 20.184 7.376 12.996 1.00 0.00 O ATOM 1891 OE2 GLU B 30 20.046 5.956 14.667 1.00 0.00 O ATOM 0 H GLU B 30 15.637 7.564 10.960 1.00 0.00 H new ATOM 0 HA GLU B 30 15.714 7.527 13.864 1.00 0.00 H new ATOM 0 HB2 GLU B 30 17.565 7.326 11.622 1.00 0.00 H new ATOM 0 HB3 GLU B 30 18.124 8.533 12.763 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.534 6.612 14.533 1.00 0.00 H new ATOM 0 HG3 GLU B 30 17.771 5.581 13.136 1.00 0.00 H new ATOM 1898 N LYS B 31 15.744 10.302 12.133 1.00 0.00 N ATOM 1899 CA LYS B 31 15.634 11.751 12.243 1.00 0.00 C ATOM 1900 C LYS B 31 14.249 12.146 12.741 1.00 0.00 C ATOM 1901 O LYS B 31 14.082 13.172 13.399 1.00 0.00 O ATOM 1902 CB LYS B 31 15.914 12.414 10.895 1.00 0.00 C ATOM 1903 CG LYS B 31 17.390 12.665 10.637 1.00 0.00 C ATOM 1904 CD LYS B 31 17.974 11.633 9.688 1.00 0.00 C ATOM 1905 CE LYS B 31 19.459 11.427 9.937 1.00 0.00 C ATOM 1906 NZ LYS B 31 19.710 10.597 11.149 1.00 0.00 N ATOM 0 H LYS B 31 15.651 9.941 11.184 1.00 0.00 H new ATOM 0 HA LYS B 31 16.376 12.095 12.963 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.517 11.783 10.100 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.379 13.362 10.848 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.522 13.662 10.217 1.00 0.00 H new ATOM 0 HG3 LYS B 31 17.934 12.642 11.581 1.00 0.00 H new ATOM 0 HD2 LYS B 31 17.448 10.686 9.810 1.00 0.00 H new ATOM 0 HD3 LYS B 31 17.817 11.954 8.658 1.00 0.00 H new ATOM 0 HE2 LYS B 31 19.909 10.946 9.068 1.00 0.00 H new ATOM 0 HE3 LYS B 31 19.945 12.396 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 20.615 10.875 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 18.942 10.743 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.749 9.593 10.880 1.00 0.00 H new ATOM 1920 N TYR B 32 13.260 11.318 12.423 1.00 0.00 N ATOM 1921 CA TYR B 32 11.887 11.571 12.838 1.00 0.00 C ATOM 1922 C TYR B 32 11.136 10.258 13.042 1.00 0.00 C ATOM 1923 O TYR B 32 11.447 9.251 12.408 1.00 0.00 O ATOM 1924 CB TYR B 32 11.159 12.434 11.803 1.00 0.00 C ATOM 1925 CG TYR B 32 12.066 13.034 10.748 1.00 0.00 C ATOM 1926 CD1 TYR B 32 12.870 12.228 9.950 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.111 14.409 10.547 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.694 12.775 8.983 1.00 0.00 C ATOM 1929 CE2 TYR B 32 12.932 14.961 9.582 1.00 0.00 C ATOM 1930 CZ TYR B 32 13.721 14.141 8.803 1.00 0.00 C ATOM 1931 OH TYR B 32 14.538 14.690 7.843 1.00 0.00 O ATOM 0 H TYR B 32 13.385 10.465 11.878 1.00 0.00 H new ATOM 0 HA TYR B 32 11.915 12.110 13.785 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.399 11.828 11.311 1.00 0.00 H new ATOM 0 HB3 TYR B 32 10.638 13.240 12.320 1.00 0.00 H new ATOM 0 HD1 TYR B 32 12.851 11.157 10.087 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.495 15.056 11.154 1.00 0.00 H new ATOM 0 HE1 TYR B 32 14.313 12.135 8.372 1.00 0.00 H new ATOM 0 HE2 TYR B 32 12.956 16.031 9.438 1.00 0.00 H new ATOM 0 HH TYR B 32 14.437 15.665 7.846 1.00 0.00 H new ATOM 1941 N ASN B 33 10.147 10.278 13.929 1.00 0.00 N ATOM 1942 CA ASN B 33 9.352 9.087 14.215 1.00 0.00 C ATOM 1943 C ASN B 33 7.899 9.287 13.795 1.00 0.00 C ATOM 1944 O ASN B 33 6.985 8.724 14.398 1.00 0.00 O ATOM 1945 CB ASN B 33 9.416 8.753 15.707 1.00 0.00 C ATOM 1946 CG ASN B 33 10.761 8.186 16.119 1.00 0.00 C ATOM 1947 OD1 ASN B 33 10.913 6.976 16.280 1.00 0.00 O ATOM 1948 ND2 ASN B 33 11.745 9.061 16.294 1.00 0.00 N ATOM 0 H ASN B 33 9.876 11.104 14.462 1.00 0.00 H new ATOM 0 HA ASN B 33 9.768 8.259 13.642 1.00 0.00 H new ATOM 0 HB2 ASN B 33 9.212 9.653 16.286 1.00 0.00 H new ATOM 0 HB3 ASN B 33 8.633 8.034 15.949 1.00 0.00 H new ATOM 0 HD21 ASN B 33 12.671 8.738 16.573 1.00 0.00 H new ATOM 0 HD22 ASN B 33 11.574 10.056 16.149 1.00 0.00 H new ATOM 1955 N ILE B 34 7.695 10.094 12.760 1.00 0.00 N ATOM 1956 CA ILE B 34 6.354 10.371 12.260 1.00 0.00 C ATOM 1957 C ILE B 34 6.126 9.709 10.907 1.00 0.00 C ATOM 1958 O ILE B 34 6.659 10.153 9.893 1.00 0.00 O ATOM 1959 CB ILE B 34 6.116 11.884 12.119 1.00 0.00 C ATOM 1960 CG1 ILE B 34 7.006 12.658 13.088 1.00 0.00 C ATOM 1961 CG2 ILE B 34 4.649 12.215 12.355 1.00 0.00 C ATOM 1962 CD1 ILE B 34 6.877 12.197 14.520 1.00 0.00 C ATOM 0 H ILE B 34 8.441 10.568 12.251 1.00 0.00 H new ATOM 0 HA ILE B 34 5.652 9.961 12.986 1.00 0.00 H new ATOM 0 HB ILE B 34 6.376 12.183 11.104 1.00 0.00 H new ATOM 0 HG12 ILE B 34 8.045 12.558 12.774 1.00 0.00 H new ATOM 0 HG13 ILE B 34 6.757 13.718 13.031 1.00 0.00 H new ATOM 0 HG21 ILE B 34 4.497 13.289 12.252 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.035 11.690 11.623 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.363 11.903 13.359 1.00 0.00 H new ATOM 0 HD11 ILE B 34 7.537 12.790 15.154 1.00 0.00 H new ATOM 0 HD12 ILE B 34 5.846 12.323 14.851 1.00 0.00 H new ATOM 0 HD13 ILE B 34 7.155 11.145 14.590 1.00 0.00 H new ATOM 1974 N GLU B 35 5.329 8.645 10.899 1.00 0.00 N ATOM 1975 CA GLU B 35 5.035 7.924 9.666 1.00 0.00 C ATOM 1976 C GLU B 35 5.039 8.869 8.469 1.00 0.00 C ATOM 1977 O GLU B 35 5.940 8.818 7.632 1.00 0.00 O ATOM 1978 CB GLU B 35 3.681 7.222 9.775 1.00 0.00 C ATOM 1979 CG GLU B 35 3.649 6.125 10.826 1.00 0.00 C ATOM 1980 CD GLU B 35 4.934 5.318 10.868 1.00 0.00 C ATOM 1981 OE1 GLU B 35 5.712 5.389 9.894 1.00 0.00 O ATOM 1982 OE2 GLU B 35 5.160 4.616 11.876 1.00 0.00 O ATOM 0 H GLU B 35 4.877 8.264 11.730 1.00 0.00 H new ATOM 0 HA GLU B 35 5.813 7.176 9.515 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.915 7.961 10.010 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.424 6.794 8.806 1.00 0.00 H new ATOM 0 HG2 GLU B 35 3.472 6.570 11.805 1.00 0.00 H new ATOM 0 HG3 GLU B 35 2.812 5.457 10.623 1.00 0.00 H new ATOM 1989 N LYS B 36 4.036 9.736 8.396 1.00 0.00 N ATOM 1990 CA LYS B 36 3.937 10.693 7.302 1.00 0.00 C ATOM 1991 C LYS B 36 5.286 11.362 7.050 1.00 0.00 C ATOM 1992 O LYS B 36 5.856 11.245 5.966 1.00 0.00 O ATOM 1993 CB LYS B 36 2.879 11.752 7.615 1.00 0.00 C ATOM 1994 CG LYS B 36 1.742 11.237 8.482 1.00 0.00 C ATOM 1995 CD LYS B 36 0.434 11.947 8.170 1.00 0.00 C ATOM 1996 CE LYS B 36 0.496 13.421 8.542 1.00 0.00 C ATOM 1997 NZ LYS B 36 1.096 13.630 9.888 1.00 0.00 N ATOM 0 H LYS B 36 3.282 9.796 9.080 1.00 0.00 H new ATOM 0 HA LYS B 36 3.641 10.154 6.402 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.356 12.593 8.118 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.468 12.131 6.679 1.00 0.00 H new ATOM 0 HG2 LYS B 36 1.621 10.165 8.325 1.00 0.00 H new ATOM 0 HG3 LYS B 36 1.992 11.379 9.533 1.00 0.00 H new ATOM 0 HD2 LYS B 36 0.210 11.848 7.108 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -0.380 11.468 8.714 1.00 0.00 H new ATOM 0 HE2 LYS B 36 1.081 13.959 7.796 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -0.509 13.843 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 0.879 14.592 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 0.702 12.937 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 2.127 13.508 9.831 1.00 0.00 H new ATOM 2011 N ASP B 37 5.790 12.061 8.063 1.00 0.00 N ATOM 2012 CA ASP B 37 7.073 12.747 7.957 1.00 0.00 C ATOM 2013 C ASP B 37 8.115 11.847 7.299 1.00 0.00 C ATOM 2014 O ASP B 37 8.616 12.150 6.217 1.00 0.00 O ATOM 2015 CB ASP B 37 7.556 13.184 9.342 1.00 0.00 C ATOM 2016 CG ASP B 37 7.025 14.549 9.733 1.00 0.00 C ATOM 2017 OD1 ASP B 37 7.368 15.538 9.051 1.00 0.00 O ATOM 2018 OD2 ASP B 37 6.266 14.631 10.722 1.00 0.00 O ATOM 0 H ASP B 37 5.329 12.167 8.967 1.00 0.00 H new ATOM 0 HA ASP B 37 6.937 13.631 7.334 1.00 0.00 H new ATOM 0 HB2 ASP B 37 7.242 12.449 10.083 1.00 0.00 H new ATOM 0 HB3 ASP B 37 8.646 13.203 9.355 1.00 0.00 H new ATOM 2023 N ILE B 38 8.434 10.740 7.960 1.00 0.00 N ATOM 2024 CA ILE B 38 9.414 9.793 7.443 1.00 0.00 C ATOM 2025 C ILE B 38 9.207 9.546 5.952 1.00 0.00 C ATOM 2026 O ILE B 38 10.113 9.755 5.145 1.00 0.00 O ATOM 2027 CB ILE B 38 9.338 8.446 8.187 1.00 0.00 C ATOM 2028 CG1 ILE B 38 9.211 8.677 9.694 1.00 0.00 C ATOM 2029 CG2 ILE B 38 10.560 7.596 7.877 1.00 0.00 C ATOM 2030 CD1 ILE B 38 8.409 7.608 10.405 1.00 0.00 C ATOM 0 H ILE B 38 8.027 10.476 8.857 1.00 0.00 H new ATOM 0 HA ILE B 38 10.397 10.236 7.603 1.00 0.00 H new ATOM 0 HB ILE B 38 8.453 7.910 7.844 1.00 0.00 H new ATOM 0 HG12 ILE B 38 10.208 8.723 10.132 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.743 9.646 9.866 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.489 6.648 8.411 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.608 7.406 6.805 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.460 8.124 8.193 1.00 0.00 H new ATOM 0 HD11 ILE B 38 8.361 7.837 11.470 1.00 0.00 H new ATOM 0 HD12 ILE B 38 7.400 7.577 9.994 1.00 0.00 H new ATOM 0 HD13 ILE B 38 8.888 6.639 10.264 1.00 0.00 H new ATOM 2042 N ALA B 39 8.007 9.101 5.593 1.00 0.00 N ATOM 2043 CA ALA B 39 7.678 8.824 4.200 1.00 0.00 C ATOM 2044 C ALA B 39 8.073 9.991 3.303 1.00 0.00 C ATOM 2045 O ALA B 39 8.602 9.793 2.208 1.00 0.00 O ATOM 2046 CB ALA B 39 6.192 8.526 4.059 1.00 0.00 C ATOM 0 H ALA B 39 7.246 8.924 6.249 1.00 0.00 H new ATOM 0 HA ALA B 39 8.244 7.948 3.884 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.960 8.321 3.014 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.936 7.657 4.665 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.615 9.387 4.397 1.00 0.00 H new ATOM 2052 N ALA B 40 7.816 11.208 3.772 1.00 0.00 N ATOM 2053 CA ALA B 40 8.148 12.406 3.012 1.00 0.00 C ATOM 2054 C ALA B 40 9.645 12.481 2.734 1.00 0.00 C ATOM 2055 O ALA B 40 10.079 12.423 1.583 1.00 0.00 O ATOM 2056 CB ALA B 40 7.688 13.649 3.760 1.00 0.00 C ATOM 0 H ALA B 40 7.379 11.390 4.675 1.00 0.00 H new ATOM 0 HA ALA B 40 7.628 12.356 2.056 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.942 14.537 3.181 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.609 13.607 3.905 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.183 13.694 4.730 1.00 0.00 H new ATOM 2062 N HIS B 41 10.429 12.610 3.800 1.00 0.00 N ATOM 2063 CA HIS B 41 11.879 12.694 3.679 1.00 0.00 C ATOM 2064 C HIS B 41 12.414 11.607 2.751 1.00 0.00 C ATOM 2065 O HIS B 41 13.326 11.848 1.959 1.00 0.00 O ATOM 2066 CB HIS B 41 12.525 12.572 5.060 1.00 0.00 C ATOM 2067 CG HIS B 41 11.613 12.976 6.176 1.00 0.00 C ATOM 2068 ND1 HIS B 41 11.516 12.282 7.364 1.00 0.00 N ATOM 2069 CD2 HIS B 41 10.745 14.012 6.276 1.00 0.00 C ATOM 2070 CE1 HIS B 41 10.628 12.873 8.146 1.00 0.00 C ATOM 2071 NE2 HIS B 41 10.148 13.923 7.509 1.00 0.00 N ATOM 0 H HIS B 41 10.083 12.659 4.758 1.00 0.00 H new ATOM 0 HA HIS B 41 12.132 13.663 3.248 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.844 11.541 5.215 1.00 0.00 H new ATOM 0 HB3 HIS B 41 13.422 13.191 5.090 1.00 0.00 H new ATOM 0 HD2 HIS B 41 10.558 14.766 5.526 1.00 0.00 H new ATOM 0 HE1 HIS B 41 10.344 12.551 9.137 1.00 0.00 H new ATOM 0 HE2 HIS B 41 9.446 14.566 7.874 1.00 0.00 H new ATOM 2080 N ILE B 42 11.838 10.413 2.851 1.00 0.00 N ATOM 2081 CA ILE B 42 12.258 9.293 2.017 1.00 0.00 C ATOM 2082 C ILE B 42 12.097 9.624 0.537 1.00 0.00 C ATOM 2083 O ILE B 42 13.071 9.636 -0.216 1.00 0.00 O ATOM 2084 CB ILE B 42 11.454 8.016 2.336 1.00 0.00 C ATOM 2085 CG1 ILE B 42 11.650 7.610 3.800 1.00 0.00 C ATOM 2086 CG2 ILE B 42 11.870 6.885 1.408 1.00 0.00 C ATOM 2087 CD1 ILE B 42 10.670 6.557 4.276 1.00 0.00 C ATOM 0 H ILE B 42 11.081 10.197 3.500 1.00 0.00 H new ATOM 0 HA ILE B 42 13.310 9.112 2.237 1.00 0.00 H new ATOM 0 HB ILE B 42 10.396 8.223 2.177 1.00 0.00 H new ATOM 0 HG12 ILE B 42 12.665 7.235 3.931 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.553 8.495 4.429 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.295 5.990 1.644 1.00 0.00 H new ATOM 0 HG22 ILE B 42 11.682 7.175 0.374 1.00 0.00 H new ATOM 0 HG23 ILE B 42 12.932 6.679 1.539 1.00 0.00 H new ATOM 0 HD11 ILE B 42 10.870 6.320 5.321 1.00 0.00 H new ATOM 0 HD12 ILE B 42 9.653 6.936 4.178 1.00 0.00 H new ATOM 0 HD13 ILE B 42 10.782 5.657 3.672 1.00 0.00 H new ATOM 2099 N LYS B 43 10.862 9.896 0.126 1.00 0.00 N ATOM 2100 CA LYS B 43 10.572 10.229 -1.264 1.00 0.00 C ATOM 2101 C LYS B 43 11.568 11.254 -1.797 1.00 0.00 C ATOM 2102 O LYS B 43 12.226 11.027 -2.812 1.00 0.00 O ATOM 2103 CB LYS B 43 9.149 10.771 -1.396 1.00 0.00 C ATOM 2104 CG LYS B 43 8.759 11.117 -2.824 1.00 0.00 C ATOM 2105 CD LYS B 43 9.138 12.546 -3.176 1.00 0.00 C ATOM 2106 CE LYS B 43 7.912 13.440 -3.264 1.00 0.00 C ATOM 2107 NZ LYS B 43 8.273 14.885 -3.268 1.00 0.00 N ATOM 0 H LYS B 43 10.045 9.892 0.737 1.00 0.00 H new ATOM 0 HA LYS B 43 10.662 9.317 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.450 10.031 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS B 43 9.049 11.661 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS B 43 9.250 10.429 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS B 43 7.685 10.983 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS B 43 9.823 12.938 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS B 43 9.669 12.559 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS B 43 7.355 13.203 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS B 43 7.252 13.234 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 7.408 15.459 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 8.782 15.118 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 8.882 15.088 -4.086 1.00 0.00 H new ATOM 2121 N LYS B 44 11.670 12.383 -1.105 1.00 0.00 N ATOM 2122 CA LYS B 44 12.582 13.448 -1.505 1.00 0.00 C ATOM 2123 C LYS B 44 14.003 12.918 -1.669 1.00 0.00 C ATOM 2124 O LYS B 44 14.746 13.363 -2.545 1.00 0.00 O ATOM 2125 CB LYS B 44 12.566 14.572 -0.467 1.00 0.00 C ATOM 2126 CG LYS B 44 11.427 15.562 -0.656 1.00 0.00 C ATOM 2127 CD LYS B 44 11.947 16.943 -1.016 1.00 0.00 C ATOM 2128 CE LYS B 44 12.730 16.918 -2.318 1.00 0.00 C ATOM 2129 NZ LYS B 44 12.006 17.620 -3.414 1.00 0.00 N ATOM 0 H LYS B 44 11.131 12.585 -0.263 1.00 0.00 H new ATOM 0 HA LYS B 44 12.246 13.838 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS B 44 12.494 14.134 0.529 1.00 0.00 H new ATOM 0 HB3 LYS B 44 13.514 15.109 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS B 44 10.760 15.206 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS B 44 10.838 15.621 0.259 1.00 0.00 H new ATOM 0 HD2 LYS B 44 11.111 17.636 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS B 44 12.584 17.314 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS B 44 13.702 17.387 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS B 44 12.917 15.885 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 12.573 17.581 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 11.089 17.157 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 11.850 18.613 -3.147 1.00 0.00 H new ATOM 2143 N GLU B 45 14.375 11.970 -0.817 1.00 0.00 N ATOM 2144 CA GLU B 45 15.709 11.383 -0.860 1.00 0.00 C ATOM 2145 C GLU B 45 15.858 10.427 -2.040 1.00 0.00 C ATOM 2146 O GLU B 45 16.897 10.399 -2.698 1.00 0.00 O ATOM 2147 CB GLU B 45 16.005 10.647 0.449 1.00 0.00 C ATOM 2148 CG GLU B 45 16.865 11.446 1.414 1.00 0.00 C ATOM 2149 CD GLU B 45 18.181 11.881 0.801 1.00 0.00 C ATOM 2150 OE1 GLU B 45 18.721 11.131 -0.040 1.00 0.00 O ATOM 2151 OE2 GLU B 45 18.671 12.972 1.160 1.00 0.00 O ATOM 0 H GLU B 45 13.771 11.591 -0.087 1.00 0.00 H new ATOM 0 HA GLU B 45 16.426 12.193 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.063 10.397 0.937 1.00 0.00 H new ATOM 0 HB3 GLU B 45 16.506 9.706 0.222 1.00 0.00 H new ATOM 0 HG2 GLU B 45 16.313 12.327 1.743 1.00 0.00 H new ATOM 0 HG3 GLU B 45 17.063 10.845 2.301 1.00 0.00 H new ATOM 2158 N PHE B 46 14.816 9.643 -2.302 1.00 0.00 N ATOM 2159 CA PHE B 46 14.843 8.690 -3.405 1.00 0.00 C ATOM 2160 C PHE B 46 14.789 9.414 -4.744 1.00 0.00 C ATOM 2161 O PHE B 46 15.410 8.988 -5.717 1.00 0.00 O ATOM 2162 CB PHE B 46 13.676 7.708 -3.294 1.00 0.00 C ATOM 2163 CG PHE B 46 14.098 6.325 -2.884 1.00 0.00 C ATOM 2164 CD1 PHE B 46 14.394 6.045 -1.561 1.00 0.00 C ATOM 2165 CD2 PHE B 46 14.200 5.307 -3.820 1.00 0.00 C ATOM 2166 CE1 PHE B 46 14.785 4.777 -1.175 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.590 4.036 -3.440 1.00 0.00 C ATOM 2168 CZ PHE B 46 14.882 3.771 -2.117 1.00 0.00 C ATOM 0 H PHE B 46 13.947 9.649 -1.768 1.00 0.00 H new ATOM 0 HA PHE B 46 15.778 8.133 -3.348 1.00 0.00 H new ATOM 0 HB2 PHE B 46 12.957 8.090 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE B 46 13.163 7.654 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE B 46 14.318 6.828 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.973 5.509 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE B 46 15.014 4.573 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.666 3.251 -4.178 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.186 2.778 -1.819 1.00 0.00 H new ATOM 2178 N ASP B 47 14.053 10.518 -4.784 1.00 0.00 N ATOM 2179 CA ASP B 47 13.932 11.306 -6.002 1.00 0.00 C ATOM 2180 C ASP B 47 15.221 12.081 -6.249 1.00 0.00 C ATOM 2181 O ASP B 47 15.603 12.331 -7.391 1.00 0.00 O ATOM 2182 CB ASP B 47 12.750 12.271 -5.903 1.00 0.00 C ATOM 2183 CG ASP B 47 11.447 11.562 -5.585 1.00 0.00 C ATOM 2184 OD1 ASP B 47 11.499 10.424 -5.074 1.00 0.00 O ATOM 2185 OD2 ASP B 47 10.375 12.148 -5.846 1.00 0.00 O ATOM 0 H ASP B 47 13.532 10.886 -3.988 1.00 0.00 H new ATOM 0 HA ASP B 47 13.756 10.629 -6.838 1.00 0.00 H new ATOM 0 HB2 ASP B 47 12.954 13.013 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP B 47 12.646 12.811 -6.844 1.00 0.00 H new ATOM 2190 N LYS B 48 15.886 12.453 -5.161 1.00 0.00 N ATOM 2191 CA LYS B 48 17.134 13.197 -5.246 1.00 0.00 C ATOM 2192 C LYS B 48 18.327 12.244 -5.304 1.00 0.00 C ATOM 2193 O LYS B 48 19.396 12.602 -5.801 1.00 0.00 O ATOM 2194 CB LYS B 48 17.250 14.156 -4.045 1.00 0.00 C ATOM 2195 CG LYS B 48 18.602 14.140 -3.339 1.00 0.00 C ATOM 2196 CD LYS B 48 19.390 15.411 -3.611 1.00 0.00 C ATOM 2197 CE LYS B 48 20.549 15.157 -4.562 1.00 0.00 C ATOM 2198 NZ LYS B 48 21.736 14.599 -3.855 1.00 0.00 N ATOM 0 H LYS B 48 15.580 12.250 -4.209 1.00 0.00 H new ATOM 0 HA LYS B 48 17.136 13.785 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS B 48 17.047 15.171 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS B 48 16.475 13.904 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS B 48 18.451 14.027 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS B 48 19.177 13.276 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS B 48 18.729 16.166 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS B 48 19.770 15.812 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS B 48 20.233 14.465 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS B 48 20.825 16.089 -5.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 22.504 14.440 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 22.054 15.270 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 21.480 13.697 -3.406 1.00 0.00 H new ATOM 2212 N LYS B 49 18.139 11.037 -4.788 1.00 0.00 N ATOM 2213 CA LYS B 49 19.200 10.039 -4.773 1.00 0.00 C ATOM 2214 C LYS B 49 19.168 9.182 -6.034 1.00 0.00 C ATOM 2215 O LYS B 49 20.203 8.696 -6.491 1.00 0.00 O ATOM 2216 CB LYS B 49 19.071 9.148 -3.536 1.00 0.00 C ATOM 2217 CG LYS B 49 19.861 9.651 -2.339 1.00 0.00 C ATOM 2218 CD LYS B 49 20.910 8.641 -1.901 1.00 0.00 C ATOM 2219 CE LYS B 49 21.863 8.302 -3.035 1.00 0.00 C ATOM 2220 NZ LYS B 49 23.282 8.311 -2.590 1.00 0.00 N ATOM 0 H LYS B 49 17.261 10.725 -4.374 1.00 0.00 H new ATOM 0 HA LYS B 49 20.154 10.565 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS B 49 18.019 9.073 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS B 49 19.408 8.142 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS B 49 20.345 10.594 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS B 49 19.181 9.853 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS B 49 21.473 9.042 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS B 49 20.419 7.732 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS B 49 21.615 7.319 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS B 49 21.732 9.019 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 23.899 8.075 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 23.527 9.256 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 23.413 7.609 -1.834 1.00 0.00 H new ATOM 2234 N TYR B 50 17.976 8.991 -6.590 1.00 0.00 N ATOM 2235 CA TYR B 50 17.823 8.181 -7.792 1.00 0.00 C ATOM 2236 C TYR B 50 17.142 8.962 -8.913 1.00 0.00 C ATOM 2237 O TYR B 50 17.715 9.135 -9.989 1.00 0.00 O ATOM 2238 CB TYR B 50 17.022 6.916 -7.473 1.00 0.00 C ATOM 2239 CG TYR B 50 17.492 6.206 -6.221 1.00 0.00 C ATOM 2240 CD1 TYR B 50 18.673 5.474 -6.216 1.00 0.00 C ATOM 2241 CD2 TYR B 50 16.756 6.271 -5.044 1.00 0.00 C ATOM 2242 CE1 TYR B 50 19.106 4.826 -5.075 1.00 0.00 C ATOM 2243 CE2 TYR B 50 17.183 5.626 -3.900 1.00 0.00 C ATOM 2244 CZ TYR B 50 18.358 4.905 -3.920 1.00 0.00 C ATOM 2245 OH TYR B 50 18.787 4.262 -2.782 1.00 0.00 O ATOM 0 H TYR B 50 17.107 9.384 -6.229 1.00 0.00 H new ATOM 0 HA TYR B 50 18.819 7.903 -8.136 1.00 0.00 H new ATOM 0 HB2 TYR B 50 15.971 7.180 -7.359 1.00 0.00 H new ATOM 0 HB3 TYR B 50 17.089 6.230 -8.317 1.00 0.00 H new ATOM 0 HD1 TYR B 50 19.262 5.410 -7.119 1.00 0.00 H new ATOM 0 HD2 TYR B 50 15.835 6.835 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR B 50 20.026 4.260 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR B 50 16.599 5.686 -2.994 1.00 0.00 H new ATOM 0 HH TYR B 50 18.293 4.604 -2.007 1.00 0.00 H new ATOM 2255 N ASN B 51 15.919 9.427 -8.651 1.00 0.00 N ATOM 2256 CA ASN B 51 15.144 10.184 -9.631 1.00 0.00 C ATOM 2257 C ASN B 51 13.652 10.056 -9.332 1.00 0.00 C ATOM 2258 O ASN B 51 13.104 8.954 -9.349 1.00 0.00 O ATOM 2259 CB ASN B 51 15.423 9.690 -11.052 1.00 0.00 C ATOM 2260 CG ASN B 51 14.246 9.910 -11.983 1.00 0.00 C ATOM 2261 OD1 ASN B 51 13.345 9.076 -12.071 1.00 0.00 O ATOM 2262 ND2 ASN B 51 14.247 11.038 -12.683 1.00 0.00 N ATOM 0 H ASN B 51 15.442 9.290 -7.760 1.00 0.00 H new ATOM 0 HA ASN B 51 15.443 11.230 -9.561 1.00 0.00 H new ATOM 0 HB2 ASN B 51 16.297 10.207 -11.448 1.00 0.00 H new ATOM 0 HB3 ASN B 51 15.666 8.628 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN B 51 13.480 11.241 -13.325 1.00 0.00 H new ATOM 0 HD22 ASN B 51 15.014 11.702 -12.579 1.00 0.00 H new ATOM 2269 N PRO B 52 12.970 11.178 -9.051 1.00 0.00 N ATOM 2270 CA PRO B 52 11.537 11.171 -8.745 1.00 0.00 C ATOM 2271 C PRO B 52 10.699 10.567 -9.876 1.00 0.00 C ATOM 2272 O PRO B 52 11.206 10.358 -10.979 1.00 0.00 O ATOM 2273 CB PRO B 52 11.195 12.653 -8.552 1.00 0.00 C ATOM 2274 CG PRO B 52 12.314 13.397 -9.195 1.00 0.00 C ATOM 2275 CD PRO B 52 13.530 12.538 -9.008 1.00 0.00 C ATOM 0 HA PRO B 52 11.316 10.557 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.240 12.901 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO B 52 11.111 12.904 -7.495 1.00 0.00 H new ATOM 0 HG2 PRO B 52 12.114 13.568 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO B 52 12.450 14.375 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO B 52 14.265 12.699 -9.796 1.00 0.00 H new ATOM 0 HD3 PRO B 52 14.029 12.742 -8.060 1.00 0.00 H new ATOM 2283 N THR B 53 9.413 10.282 -9.611 1.00 0.00 N ATOM 2284 CA THR B 53 8.801 10.526 -8.304 1.00 0.00 C ATOM 2285 C THR B 53 8.491 9.212 -7.603 1.00 0.00 C ATOM 2286 O THR B 53 7.734 8.388 -8.114 1.00 0.00 O ATOM 2287 CB THR B 53 7.527 11.352 -8.455 1.00 0.00 C ATOM 2288 OG1 THR B 53 7.084 11.821 -7.193 1.00 0.00 O ATOM 2289 CG2 THR B 53 6.391 10.579 -9.081 1.00 0.00 C ATOM 0 H THR B 53 8.775 9.878 -10.297 1.00 0.00 H new ATOM 0 HA THR B 53 9.512 11.086 -7.696 1.00 0.00 H new ATOM 0 HB THR B 53 7.790 12.180 -9.114 1.00 0.00 H new ATOM 0 HG1 THR B 53 6.761 12.742 -7.281 1.00 0.00 H new ATOM 0 HG21 THR B 53 5.514 11.222 -9.161 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.685 10.241 -10.075 1.00 0.00 H new ATOM 0 HG23 THR B 53 6.153 9.716 -8.460 1.00 0.00 H new ATOM 2297 N TRP B 54 9.087 9.021 -6.433 1.00 0.00 N ATOM 2298 CA TRP B 54 8.884 7.798 -5.668 1.00 0.00 C ATOM 2299 C TRP B 54 7.746 7.937 -4.665 1.00 0.00 C ATOM 2300 O TRP B 54 7.825 8.724 -3.722 1.00 0.00 O ATOM 2301 CB TRP B 54 10.163 7.421 -4.922 1.00 0.00 C ATOM 2302 CG TRP B 54 11.347 7.242 -5.817 1.00 0.00 C ATOM 2303 CD1 TRP B 54 11.969 8.206 -6.557 1.00 0.00 C ATOM 2304 CD2 TRP B 54 12.055 6.025 -6.065 1.00 0.00 C ATOM 2305 NE1 TRP B 54 13.021 7.660 -7.250 1.00 0.00 N ATOM 2306 CE2 TRP B 54 13.095 6.322 -6.963 1.00 0.00 C ATOM 2307 CE3 TRP B 54 11.910 4.710 -5.610 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 13.985 5.352 -7.417 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.794 3.749 -6.061 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.821 4.074 -6.956 1.00 0.00 C ATOM 0 H TRP B 54 9.713 9.696 -5.994 1.00 0.00 H new ATOM 0 HA TRP B 54 8.621 7.015 -6.379 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.387 8.195 -4.188 1.00 0.00 H new ATOM 0 HB3 TRP B 54 9.993 6.497 -4.370 1.00 0.00 H new ATOM 0 HD1 TRP B 54 11.677 9.245 -6.592 1.00 0.00 H new ATOM 0 HE1 TRP B 54 13.646 8.168 -7.876 1.00 0.00 H new ATOM 0 HE3 TRP B 54 11.122 4.451 -4.919 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 14.777 5.600 -8.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.691 2.730 -5.718 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.497 3.300 -7.289 1.00 0.00 H new ATOM 2321 N HIS B 55 6.704 7.135 -4.852 1.00 0.00 N ATOM 2322 CA HIS B 55 5.571 7.135 -3.941 1.00 0.00 C ATOM 2323 C HIS B 55 5.885 6.207 -2.776 1.00 0.00 C ATOM 2324 O HIS B 55 5.653 5.001 -2.851 1.00 0.00 O ATOM 2325 CB HIS B 55 4.301 6.678 -4.660 1.00 0.00 C ATOM 2326 CG HIS B 55 4.254 7.074 -6.104 1.00 0.00 C ATOM 2327 ND1 HIS B 55 5.014 7.944 -6.811 1.00 0.00 N flip ATOM 2328 CD2 HIS B 55 3.340 6.554 -6.997 1.00 0.00 C flip ATOM 2329 CE1 HIS B 55 4.548 7.933 -8.104 1.00 0.00 C flip ATOM 2330 NE2 HIS B 55 3.539 7.086 -8.189 1.00 0.00 N flip ATOM 0 H HIS B 55 6.623 6.477 -5.627 1.00 0.00 H new ATOM 0 HA HIS B 55 5.398 8.146 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS B 55 4.222 5.593 -4.587 1.00 0.00 H new ATOM 0 HB3 HIS B 55 3.434 7.096 -4.149 1.00 0.00 H new ATOM 0 HD1 HIS B 55 5.788 8.503 -6.451 1.00 0.00 H new ATOM 0 HD2 HIS B 55 2.580 5.825 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS B 55 4.943 8.522 -8.918 1.00 0.00 H new ATOM 2339 N CYS B 56 6.461 6.768 -1.720 1.00 0.00 N ATOM 2340 CA CYS B 56 6.857 5.975 -0.564 1.00 0.00 C ATOM 2341 C CYS B 56 5.880 6.097 0.597 1.00 0.00 C ATOM 2342 O CYS B 56 5.237 7.129 0.787 1.00 0.00 O ATOM 2343 CB CYS B 56 8.255 6.389 -0.102 1.00 0.00 C ATOM 2344 SG CYS B 56 8.486 8.177 0.043 1.00 0.00 S ATOM 0 H CYS B 56 6.663 7.765 -1.640 1.00 0.00 H new ATOM 0 HA CYS B 56 6.857 4.932 -0.880 1.00 0.00 H new ATOM 0 HB2 CYS B 56 8.458 5.928 0.865 1.00 0.00 H new ATOM 0 HB3 CYS B 56 8.990 5.994 -0.804 1.00 0.00 H new ATOM 0 HG CYS B 56 8.450 8.519 1.297 1.00 0.00 H new ATOM 2350 N ILE B 57 5.802 5.028 1.382 1.00 0.00 N ATOM 2351 CA ILE B 57 4.938 4.982 2.553 1.00 0.00 C ATOM 2352 C ILE B 57 5.726 4.488 3.759 1.00 0.00 C ATOM 2353 O ILE B 57 6.768 3.852 3.607 1.00 0.00 O ATOM 2354 CB ILE B 57 3.725 4.057 2.334 1.00 0.00 C ATOM 2355 CG1 ILE B 57 3.067 4.349 0.982 1.00 0.00 C ATOM 2356 CG2 ILE B 57 2.720 4.219 3.471 1.00 0.00 C ATOM 2357 CD1 ILE B 57 2.357 5.682 0.933 1.00 0.00 C ATOM 0 H ILE B 57 6.334 4.172 1.224 1.00 0.00 H new ATOM 0 HA ILE B 57 4.571 5.993 2.728 1.00 0.00 H new ATOM 0 HB ILE B 57 4.072 3.024 2.329 1.00 0.00 H new ATOM 0 HG12 ILE B 57 3.829 4.323 0.203 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.353 3.557 0.756 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.869 3.559 3.301 1.00 0.00 H new ATOM 0 HG22 ILE B 57 3.196 3.961 4.417 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.376 5.253 3.508 1.00 0.00 H new ATOM 0 HD11 ILE B 57 1.915 5.823 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.572 5.704 1.689 1.00 0.00 H new ATOM 0 HD13 ILE B 57 3.071 6.482 1.128 1.00 0.00 H new ATOM 2369 N VAL B 58 5.233 4.781 4.952 1.00 0.00 N ATOM 2370 CA VAL B 58 5.910 4.356 6.168 1.00 0.00 C ATOM 2371 C VAL B 58 4.970 4.409 7.364 1.00 0.00 C ATOM 2372 O VAL B 58 4.614 5.487 7.841 1.00 0.00 O ATOM 2373 CB VAL B 58 7.146 5.228 6.452 1.00 0.00 C ATOM 2374 CG1 VAL B 58 6.797 6.698 6.316 1.00 0.00 C ATOM 2375 CG2 VAL B 58 7.713 4.930 7.833 1.00 0.00 C ATOM 0 H VAL B 58 4.373 5.308 5.105 1.00 0.00 H new ATOM 0 HA VAL B 58 6.232 3.326 6.013 1.00 0.00 H new ATOM 0 HB VAL B 58 7.914 4.988 5.716 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.681 7.302 6.520 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.447 6.897 5.303 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.012 6.953 7.027 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.586 5.558 8.011 1.00 0.00 H new ATOM 0 HG22 VAL B 58 6.956 5.137 8.590 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.004 3.881 7.888 1.00 0.00 H new ATOM 2385 N GLY B 59 4.576 3.238 7.845 1.00 0.00 N ATOM 2386 CA GLY B 59 3.684 3.168 8.982 1.00 0.00 C ATOM 2387 C GLY B 59 4.209 2.243 10.056 1.00 0.00 C ATOM 2388 O GLY B 59 5.383 2.304 10.417 1.00 0.00 O ATOM 0 H GLY B 59 4.860 2.334 7.466 1.00 0.00 H new ATOM 0 HA2 GLY B 59 3.547 4.166 9.398 1.00 0.00 H new ATOM 0 HA3 GLY B 59 2.704 2.823 8.653 1.00 0.00 H new ATOM 2392 N ARG B 60 3.341 1.386 10.575 1.00 0.00 N ATOM 2393 CA ARG B 60 3.735 0.457 11.614 1.00 0.00 C ATOM 2394 C ARG B 60 2.693 -0.639 11.803 1.00 0.00 C ATOM 2395 O ARG B 60 2.927 -1.612 12.520 1.00 0.00 O ATOM 2396 CB ARG B 60 3.943 1.216 12.915 1.00 0.00 C ATOM 2397 CG ARG B 60 2.926 2.323 13.141 1.00 0.00 C ATOM 2398 CD ARG B 60 3.455 3.378 14.099 1.00 0.00 C ATOM 2399 NE ARG B 60 2.470 3.730 15.118 1.00 0.00 N ATOM 2400 CZ ARG B 60 2.639 3.497 16.416 1.00 0.00 C ATOM 2401 NH1 ARG B 60 3.752 2.920 16.848 1.00 0.00 N ATOM 2402 NH2 ARG B 60 1.697 3.844 17.282 1.00 0.00 N ATOM 0 H ARG B 60 2.363 1.318 10.292 1.00 0.00 H new ATOM 0 HA ARG B 60 4.667 -0.023 11.315 1.00 0.00 H new ATOM 0 HB2 ARG B 60 3.895 0.514 13.747 1.00 0.00 H new ATOM 0 HB3 ARG B 60 4.944 1.647 12.919 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.675 2.788 12.188 1.00 0.00 H new ATOM 0 HG3 ARG B 60 2.005 1.897 13.540 1.00 0.00 H new ATOM 0 HD2 ARG B 60 4.360 3.009 14.581 1.00 0.00 H new ATOM 0 HD3 ARG B 60 3.733 4.271 13.539 1.00 0.00 H new ATOM 0 HE ARG B 60 1.605 4.179 14.817 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.480 2.654 16.184 1.00 0.00 H new ATOM 0 HH12 ARG B 60 3.881 2.742 17.844 1.00 0.00 H new ATOM 0 HH21 ARG B 60 0.841 4.290 16.953 1.00 0.00 H new ATOM 0 HH22 ARG B 60 1.828 3.664 18.277 1.00 0.00 H new ATOM 2416 N ASN B 61 1.540 -0.480 11.157 1.00 0.00 N ATOM 2417 CA ASN B 61 0.470 -1.464 11.263 1.00 0.00 C ATOM 2418 C ASN B 61 -0.646 -1.182 10.261 1.00 0.00 C ATOM 2419 O ASN B 61 -1.820 -1.415 10.549 1.00 0.00 O ATOM 2420 CB ASN B 61 -0.096 -1.478 12.683 1.00 0.00 C ATOM 2421 CG ASN B 61 0.009 -2.842 13.336 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -0.396 -3.852 12.759 1.00 0.00 O ATOM 2423 ND2 ASN B 61 0.556 -2.878 14.545 1.00 0.00 N ATOM 0 H ASN B 61 1.325 0.317 10.558 1.00 0.00 H new ATOM 0 HA ASN B 61 0.892 -2.442 11.034 1.00 0.00 H new ATOM 0 HB2 ASN B 61 0.437 -0.746 13.290 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -1.141 -1.171 12.657 1.00 0.00 H new ATOM 0 HD21 ASN B 61 0.655 -3.768 15.034 1.00 0.00 H new ATOM 0 HD22 ASN B 61 0.878 -2.016 14.985 1.00 0.00 H new ATOM 2430 N PHE B 62 -0.277 -0.687 9.083 1.00 0.00 N ATOM 2431 CA PHE B 62 -1.251 -0.383 8.047 1.00 0.00 C ATOM 2432 C PHE B 62 -1.244 -1.461 6.968 1.00 0.00 C ATOM 2433 O PHE B 62 -0.639 -2.519 7.137 1.00 0.00 O ATOM 2434 CB PHE B 62 -0.948 0.979 7.425 1.00 0.00 C ATOM 2435 CG PHE B 62 0.170 0.937 6.424 1.00 0.00 C ATOM 2436 CD1 PHE B 62 1.483 1.125 6.823 1.00 0.00 C ATOM 2437 CD2 PHE B 62 -0.094 0.707 5.086 1.00 0.00 C ATOM 2438 CE1 PHE B 62 2.512 1.083 5.904 1.00 0.00 C ATOM 2439 CE2 PHE B 62 0.929 0.665 4.161 1.00 0.00 C ATOM 2440 CZ PHE B 62 2.236 0.853 4.570 1.00 0.00 C ATOM 0 H PHE B 62 0.690 -0.489 8.825 1.00 0.00 H new ATOM 0 HA PHE B 62 -2.241 -0.355 8.503 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -1.848 1.358 6.940 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -0.692 1.684 8.216 1.00 0.00 H new ATOM 0 HD1 PHE B 62 1.704 1.306 7.864 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -1.113 0.558 4.761 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.532 1.230 6.227 1.00 0.00 H new ATOM 0 HE2 PHE B 62 0.709 0.486 3.119 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.039 0.820 3.849 1.00 0.00 H new ATOM 2450 N GLY B 63 -1.916 -1.181 5.858 1.00 0.00 N ATOM 2451 CA GLY B 63 -1.972 -2.131 4.762 1.00 0.00 C ATOM 2452 C GLY B 63 -1.942 -1.445 3.414 1.00 0.00 C ATOM 2453 O GLY B 63 -2.929 -0.837 2.999 1.00 0.00 O ATOM 0 H GLY B 63 -2.424 -0.311 5.697 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -1.131 -2.820 4.837 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -2.881 -2.727 4.845 1.00 0.00 H new ATOM 2457 N SER B 64 -0.806 -1.531 2.731 1.00 0.00 N ATOM 2458 CA SER B 64 -0.658 -0.900 1.428 1.00 0.00 C ATOM 2459 C SER B 64 -1.072 -1.841 0.302 1.00 0.00 C ATOM 2460 O SER B 64 -0.698 -3.014 0.284 1.00 0.00 O ATOM 2461 CB SER B 64 0.783 -0.434 1.213 1.00 0.00 C ATOM 2462 OG SER B 64 1.696 -1.509 1.353 1.00 0.00 O ATOM 0 H SER B 64 0.022 -2.030 3.057 1.00 0.00 H new ATOM 0 HA SER B 64 -1.319 -0.033 1.409 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.882 0.004 0.220 1.00 0.00 H new ATOM 0 HB3 SER B 64 1.026 0.349 1.932 1.00 0.00 H new ATOM 0 HG SER B 64 2.431 -1.399 0.714 1.00 0.00 H new ATOM 2468 N TYR B 65 -1.840 -1.307 -0.640 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.311 -2.075 -1.786 1.00 0.00 C ATOM 2470 C TYR B 65 -2.372 -1.184 -3.021 1.00 0.00 C ATOM 2471 O TYR B 65 -3.438 -0.698 -3.399 1.00 0.00 O ATOM 2472 CB TYR B 65 -3.688 -2.672 -1.494 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.160 -3.669 -2.530 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.743 -4.993 -2.488 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -5.030 -3.285 -3.543 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -4.180 -5.908 -3.427 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -5.472 -4.193 -4.485 1.00 0.00 C ATOM 2478 CZ TYR B 65 -5.043 -5.504 -4.423 1.00 0.00 C ATOM 2479 OH TYR B 65 -5.481 -6.412 -5.360 1.00 0.00 O ATOM 0 H TYR B 65 -2.152 -0.336 -0.632 1.00 0.00 H new ATOM 0 HA TYR B 65 -1.613 -2.890 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.661 -3.161 -0.520 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.416 -1.863 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.066 -5.313 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.366 -2.260 -3.595 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.847 -6.934 -3.381 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -6.149 -3.879 -5.266 1.00 0.00 H new ATOM 0 HH TYR B 65 -5.513 -7.306 -4.959 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.214 -0.961 -3.635 1.00 0.00 N ATOM 2490 CA VAL B 66 -1.128 -0.113 -4.816 1.00 0.00 C ATOM 2491 C VAL B 66 -0.334 -0.784 -5.931 1.00 0.00 C ATOM 2492 O VAL B 66 0.350 -1.781 -5.709 1.00 0.00 O ATOM 2493 CB VAL B 66 -0.467 1.237 -4.478 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -1.107 1.850 -3.243 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.033 1.063 -4.278 1.00 0.00 C ATOM 0 H VAL B 66 -0.323 -1.356 -3.333 1.00 0.00 H new ATOM 0 HA VAL B 66 -2.149 0.055 -5.159 1.00 0.00 H new ATOM 0 HB VAL B 66 -0.623 1.916 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -0.627 2.803 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -2.169 2.013 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.984 1.175 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL B 66 1.483 2.027 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL B 66 1.212 0.367 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.479 0.670 -5.192 1.00 0.00 H new ATOM 2505 N THR B 67 -0.428 -0.220 -7.131 1.00 0.00 N ATOM 2506 CA THR B 67 0.285 -0.754 -8.286 1.00 0.00 C ATOM 2507 C THR B 67 1.748 -0.322 -8.260 1.00 0.00 C ATOM 2508 O THR B 67 2.141 0.524 -7.457 1.00 0.00 O ATOM 2509 CB THR B 67 -0.380 -0.290 -9.583 1.00 0.00 C ATOM 2510 OG1 THR B 67 -0.094 -1.189 -10.640 1.00 0.00 O ATOM 2511 CG2 THR B 67 0.062 1.088 -10.023 1.00 0.00 C ATOM 0 H THR B 67 -0.991 0.607 -7.329 1.00 0.00 H new ATOM 0 HA THR B 67 0.245 -1.842 -8.241 1.00 0.00 H new ATOM 0 HB THR B 67 -1.448 -0.259 -9.366 1.00 0.00 H new ATOM 0 HG1 THR B 67 -0.529 -0.877 -11.461 1.00 0.00 H new ATOM 0 HG21 THR B 67 -0.448 1.355 -10.949 1.00 0.00 H new ATOM 0 HG22 THR B 67 -0.187 1.814 -9.249 1.00 0.00 H new ATOM 0 HG23 THR B 67 1.139 1.089 -10.189 1.00 0.00 H new ATOM 2519 N HIS B 68 2.552 -0.907 -9.144 1.00 0.00 N ATOM 2520 CA HIS B 68 3.970 -0.577 -9.218 1.00 0.00 C ATOM 2521 C HIS B 68 4.388 -0.260 -10.651 1.00 0.00 C ATOM 2522 O HIS B 68 3.761 -0.719 -11.607 1.00 0.00 O ATOM 2523 CB HIS B 68 4.813 -1.730 -8.672 1.00 0.00 C ATOM 2524 CG HIS B 68 4.361 -3.079 -9.136 1.00 0.00 C ATOM 2525 ND1 HIS B 68 3.052 -3.505 -9.054 1.00 0.00 N ATOM 2526 CD2 HIS B 68 5.054 -4.105 -9.686 1.00 0.00 C ATOM 2527 CE1 HIS B 68 2.960 -4.733 -9.533 1.00 0.00 C ATOM 2528 NE2 HIS B 68 4.160 -5.120 -9.924 1.00 0.00 N ATOM 0 H HIS B 68 2.246 -1.610 -9.817 1.00 0.00 H new ATOM 0 HA HIS B 68 4.139 0.310 -8.608 1.00 0.00 H new ATOM 0 HB2 HIS B 68 5.851 -1.582 -8.970 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.787 -1.703 -7.583 1.00 0.00 H new ATOM 0 HD2 HIS B 68 6.113 -4.122 -9.898 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.056 -5.321 -9.594 1.00 0.00 H new ATOM 0 HE2 HIS B 68 4.386 -6.025 -10.336 1.00 0.00 H new ATOM 2537 N GLU B 69 5.451 0.525 -10.789 1.00 0.00 N ATOM 2538 CA GLU B 69 5.958 0.904 -12.104 1.00 0.00 C ATOM 2539 C GLU B 69 7.482 0.970 -12.099 1.00 0.00 C ATOM 2540 O GLU B 69 8.113 0.897 -11.044 1.00 0.00 O ATOM 2541 CB GLU B 69 5.379 2.255 -12.529 1.00 0.00 C ATOM 2542 CG GLU B 69 4.087 2.616 -11.815 1.00 0.00 C ATOM 2543 CD GLU B 69 2.889 2.620 -12.744 1.00 0.00 C ATOM 2544 OE1 GLU B 69 2.885 3.420 -13.704 1.00 0.00 O ATOM 2545 OE2 GLU B 69 1.955 1.824 -12.514 1.00 0.00 O ATOM 0 H GLU B 69 5.979 0.912 -10.006 1.00 0.00 H new ATOM 0 HA GLU B 69 5.646 0.143 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU B 69 6.118 3.033 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU B 69 5.199 2.241 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU B 69 3.913 1.906 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU B 69 4.191 3.600 -11.358 1.00 0.00 H new ATOM 2552 N THR B 70 8.067 1.111 -13.283 1.00 0.00 N ATOM 2553 CA THR B 70 9.517 1.187 -13.417 1.00 0.00 C ATOM 2554 C THR B 70 10.204 0.131 -12.559 1.00 0.00 C ATOM 2555 O THR B 70 10.356 -1.018 -12.975 1.00 0.00 O ATOM 2556 CB THR B 70 10.014 2.580 -13.026 1.00 0.00 C ATOM 2557 OG1 THR B 70 9.014 3.554 -13.267 1.00 0.00 O ATOM 2558 CG2 THR B 70 11.257 3.002 -13.778 1.00 0.00 C ATOM 0 H THR B 70 7.559 1.175 -14.165 1.00 0.00 H new ATOM 0 HA THR B 70 9.768 0.997 -14.461 1.00 0.00 H new ATOM 0 HB THR B 70 10.255 2.516 -11.965 1.00 0.00 H new ATOM 0 HG1 THR B 70 9.284 4.406 -12.866 1.00 0.00 H new ATOM 0 HG21 THR B 70 11.557 3.999 -13.454 1.00 0.00 H new ATOM 0 HG22 THR B 70 12.062 2.296 -13.575 1.00 0.00 H new ATOM 0 HG23 THR B 70 11.048 3.016 -14.848 1.00 0.00 H new ATOM 2566 N LYS B 71 10.621 0.527 -11.361 1.00 0.00 N ATOM 2567 CA LYS B 71 11.296 -0.386 -10.446 1.00 0.00 C ATOM 2568 C LYS B 71 10.300 -1.058 -9.507 1.00 0.00 C ATOM 2569 O LYS B 71 10.608 -1.320 -8.344 1.00 0.00 O ATOM 2570 CB LYS B 71 12.352 0.363 -9.632 1.00 0.00 C ATOM 2571 CG LYS B 71 13.432 1.009 -10.483 1.00 0.00 C ATOM 2572 CD LYS B 71 14.781 0.341 -10.270 1.00 0.00 C ATOM 2573 CE LYS B 71 15.859 0.974 -11.135 1.00 0.00 C ATOM 2574 NZ LYS B 71 16.635 -0.048 -11.890 1.00 0.00 N ATOM 0 H LYS B 71 10.503 1.474 -11.001 1.00 0.00 H new ATOM 0 HA LYS B 71 11.783 -1.158 -11.041 1.00 0.00 H new ATOM 0 HB2 LYS B 71 11.861 1.133 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS B 71 12.819 -0.331 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS B 71 13.155 0.945 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS B 71 13.506 2.068 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS B 71 15.064 0.417 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS B 71 14.703 -0.721 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS B 71 15.400 1.672 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS B 71 16.536 1.553 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 17.360 0.423 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 17.094 -0.699 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 15.993 -0.584 -12.509 1.00 0.00 H new ATOM 2588 N HIS B 72 9.107 -1.338 -10.018 1.00 0.00 N ATOM 2589 CA HIS B 72 8.069 -1.982 -9.224 1.00 0.00 C ATOM 2590 C HIS B 72 7.859 -1.253 -7.900 1.00 0.00 C ATOM 2591 O HIS B 72 6.982 -0.396 -7.784 1.00 0.00 O ATOM 2592 CB HIS B 72 8.436 -3.443 -8.963 1.00 0.00 C ATOM 2593 CG HIS B 72 8.693 -4.226 -10.214 1.00 0.00 C ATOM 2594 ND1 HIS B 72 7.960 -5.338 -10.570 1.00 0.00 N ATOM 2595 CD2 HIS B 72 9.607 -4.050 -11.197 1.00 0.00 C ATOM 2596 CE1 HIS B 72 8.412 -5.812 -11.718 1.00 0.00 C ATOM 2597 NE2 HIS B 72 9.411 -5.047 -12.119 1.00 0.00 N ATOM 0 H HIS B 72 8.835 -1.129 -10.979 1.00 0.00 H new ATOM 0 HA HIS B 72 7.137 -1.941 -9.788 1.00 0.00 H new ATOM 0 HB2 HIS B 72 9.324 -3.479 -8.332 1.00 0.00 H new ATOM 0 HB3 HIS B 72 7.629 -3.918 -8.405 1.00 0.00 H new ATOM 0 HD2 HIS B 72 10.352 -3.270 -11.246 1.00 0.00 H new ATOM 0 HE1 HIS B 72 8.030 -6.677 -12.239 1.00 0.00 H new ATOM 0 HE2 HIS B 72 9.950 -5.176 -12.975 1.00 0.00 H new ATOM 2606 N PHE B 73 8.668 -1.597 -6.904 1.00 0.00 N ATOM 2607 CA PHE B 73 8.569 -0.976 -5.590 1.00 0.00 C ATOM 2608 C PHE B 73 9.346 -1.780 -4.554 1.00 0.00 C ATOM 2609 O PHE B 73 10.133 -2.660 -4.902 1.00 0.00 O ATOM 2610 CB PHE B 73 7.101 -0.848 -5.168 1.00 0.00 C ATOM 2611 CG PHE B 73 6.381 -2.163 -5.029 1.00 0.00 C ATOM 2612 CD1 PHE B 73 6.937 -3.205 -4.302 1.00 0.00 C ATOM 2613 CD2 PHE B 73 5.143 -2.354 -5.620 1.00 0.00 C ATOM 2614 CE1 PHE B 73 6.273 -4.409 -4.170 1.00 0.00 C ATOM 2615 CE2 PHE B 73 4.473 -3.555 -5.491 1.00 0.00 C ATOM 2616 CZ PHE B 73 5.039 -4.585 -4.766 1.00 0.00 C ATOM 0 H PHE B 73 9.400 -2.303 -6.983 1.00 0.00 H new ATOM 0 HA PHE B 73 9.005 0.021 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.053 -0.318 -4.217 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.576 -0.235 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE B 73 7.901 -3.073 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE B 73 4.695 -1.553 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE B 73 6.718 -5.212 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.508 -3.688 -5.957 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.518 -5.526 -4.665 1.00 0.00 H new ATOM 2626 N ILE B 74 9.114 -1.481 -3.282 1.00 0.00 N ATOM 2627 CA ILE B 74 9.790 -2.189 -2.204 1.00 0.00 C ATOM 2628 C ILE B 74 9.076 -2.000 -0.873 1.00 0.00 C ATOM 2629 O ILE B 74 8.871 -0.875 -0.418 1.00 0.00 O ATOM 2630 CB ILE B 74 11.249 -1.729 -2.038 1.00 0.00 C ATOM 2631 CG1 ILE B 74 11.993 -2.717 -1.112 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.282 -0.296 -1.513 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.049 -2.100 -0.210 1.00 0.00 C ATOM 0 H ILE B 74 8.466 -0.756 -2.973 1.00 0.00 H new ATOM 0 HA ILE B 74 9.773 -3.242 -2.484 1.00 0.00 H new ATOM 0 HB ILE B 74 11.761 -1.729 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.259 -3.225 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE B 74 12.468 -3.479 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.317 0.025 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE B 74 10.775 0.362 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE B 74 10.778 -0.250 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.509 -2.879 0.397 1.00 0.00 H new ATOM 0 HD12 ILE B 74 13.812 -1.617 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE B 74 12.584 -1.360 0.441 1.00 0.00 H new ATOM 2645 N TYR B 75 8.720 -3.113 -0.247 1.00 0.00 N ATOM 2646 CA TYR B 75 8.052 -3.086 1.045 1.00 0.00 C ATOM 2647 C TYR B 75 8.959 -3.688 2.111 1.00 0.00 C ATOM 2648 O TYR B 75 9.732 -4.604 1.830 1.00 0.00 O ATOM 2649 CB TYR B 75 6.731 -3.856 0.986 1.00 0.00 C ATOM 2650 CG TYR B 75 5.733 -3.280 0.009 1.00 0.00 C ATOM 2651 CD1 TYR B 75 6.148 -2.733 -1.199 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.372 -3.286 0.293 1.00 0.00 C ATOM 2653 CE1 TYR B 75 5.238 -2.209 -2.096 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.455 -2.764 -0.599 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.893 -2.227 -1.791 1.00 0.00 C ATOM 2656 OH TYR B 75 2.983 -1.706 -2.682 1.00 0.00 O ATOM 0 H TYR B 75 8.884 -4.050 -0.616 1.00 0.00 H new ATOM 0 HA TYR B 75 7.836 -2.049 1.302 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.936 -4.891 0.713 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.285 -3.871 1.980 1.00 0.00 H new ATOM 0 HD1 TYR B 75 7.200 -2.717 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR B 75 4.026 -3.706 1.226 1.00 0.00 H new ATOM 0 HE1 TYR B 75 5.577 -1.788 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR B 75 2.401 -2.777 -0.364 1.00 0.00 H new ATOM 0 HH TYR B 75 2.265 -1.256 -2.190 1.00 0.00 H new ATOM 2666 N PHE B 76 8.872 -3.169 3.328 1.00 0.00 N ATOM 2667 CA PHE B 76 9.695 -3.667 4.423 1.00 0.00 C ATOM 2668 C PHE B 76 9.249 -3.082 5.757 1.00 0.00 C ATOM 2669 O PHE B 76 8.755 -1.956 5.819 1.00 0.00 O ATOM 2670 CB PHE B 76 11.168 -3.333 4.174 1.00 0.00 C ATOM 2671 CG PHE B 76 11.382 -1.969 3.585 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.072 -1.716 2.258 1.00 0.00 C ATOM 2673 CD2 PHE B 76 11.890 -0.939 4.358 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.264 -0.461 1.714 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.085 0.320 3.820 1.00 0.00 C ATOM 2676 CZ PHE B 76 11.770 0.558 2.496 1.00 0.00 C ATOM 0 H PHE B 76 8.243 -2.407 3.582 1.00 0.00 H new ATOM 0 HA PHE B 76 9.575 -4.749 4.467 1.00 0.00 H new ATOM 0 HB2 PHE B 76 11.712 -3.403 5.116 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.593 -4.080 3.504 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.676 -2.510 1.642 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.137 -1.121 5.394 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.019 -0.277 0.678 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.483 1.115 4.433 1.00 0.00 H new ATOM 0 HZ PHE B 76 11.919 1.540 2.073 1.00 0.00 H new ATOM 2686 N TYR B 77 9.429 -3.854 6.822 1.00 0.00 N ATOM 2687 CA TYR B 77 9.048 -3.413 8.160 1.00 0.00 C ATOM 2688 C TYR B 77 10.280 -3.242 9.047 1.00 0.00 C ATOM 2689 O TYR B 77 10.941 -4.216 9.404 1.00 0.00 O ATOM 2690 CB TYR B 77 8.068 -4.415 8.788 1.00 0.00 C ATOM 2691 CG TYR B 77 8.087 -4.434 10.303 1.00 0.00 C ATOM 2692 CD1 TYR B 77 9.003 -5.217 10.994 1.00 0.00 C ATOM 2693 CD2 TYR B 77 7.192 -3.668 11.039 1.00 0.00 C ATOM 2694 CE1 TYR B 77 9.027 -5.235 12.376 1.00 0.00 C ATOM 2695 CE2 TYR B 77 7.209 -3.681 12.422 1.00 0.00 C ATOM 2696 CZ TYR B 77 8.129 -4.467 13.085 1.00 0.00 C ATOM 2697 OH TYR B 77 8.151 -4.483 14.461 1.00 0.00 O ATOM 0 H TYR B 77 9.836 -4.788 6.786 1.00 0.00 H new ATOM 0 HA TYR B 77 8.555 -2.445 8.076 1.00 0.00 H new ATOM 0 HB2 TYR B 77 7.059 -4.179 8.451 1.00 0.00 H new ATOM 0 HB3 TYR B 77 8.301 -5.414 8.420 1.00 0.00 H new ATOM 0 HD1 TYR B 77 9.708 -5.822 10.443 1.00 0.00 H new ATOM 0 HD2 TYR B 77 6.471 -3.052 10.523 1.00 0.00 H new ATOM 0 HE1 TYR B 77 9.747 -5.848 12.898 1.00 0.00 H new ATOM 0 HE2 TYR B 77 6.506 -3.080 12.980 1.00 0.00 H new ATOM 0 HH TYR B 77 9.046 -4.238 14.777 1.00 0.00 H new ATOM 2707 N LEU B 78 10.576 -1.997 9.404 1.00 0.00 N ATOM 2708 CA LEU B 78 11.723 -1.695 10.252 1.00 0.00 C ATOM 2709 C LEU B 78 11.490 -2.207 11.671 1.00 0.00 C ATOM 2710 O LEU B 78 10.383 -2.617 12.017 1.00 0.00 O ATOM 2711 CB LEU B 78 11.978 -0.185 10.278 1.00 0.00 C ATOM 2712 CG LEU B 78 12.741 0.375 9.073 1.00 0.00 C ATOM 2713 CD1 LEU B 78 14.225 0.064 9.190 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.178 -0.179 7.772 1.00 0.00 C ATOM 0 H LEU B 78 10.037 -1.180 9.119 1.00 0.00 H new ATOM 0 HA LEU B 78 12.598 -2.197 9.839 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.018 0.327 10.348 1.00 0.00 H new ATOM 0 HB3 LEU B 78 12.535 0.056 11.183 1.00 0.00 H new ATOM 0 HG LEU B 78 12.616 1.458 9.063 1.00 0.00 H new ATOM 0 HD11 LEU B 78 14.751 0.469 8.326 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.621 0.515 10.100 1.00 0.00 H new ATOM 0 HD13 LEU B 78 14.369 -1.016 9.229 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.735 0.232 6.930 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.267 -1.265 7.770 1.00 0.00 H new ATOM 0 HD23 LEU B 78 11.128 0.099 7.683 1.00 0.00 H new ATOM 2726 N GLY B 79 12.544 -2.183 12.482 1.00 0.00 N ATOM 2727 CA GLY B 79 12.445 -2.649 13.856 1.00 0.00 C ATOM 2728 C GLY B 79 11.041 -2.530 14.420 1.00 0.00 C ATOM 2729 O GLY B 79 10.557 -3.439 15.094 1.00 0.00 O ATOM 0 H GLY B 79 13.469 -1.848 12.212 1.00 0.00 H new ATOM 0 HA2 GLY B 79 12.764 -3.690 13.905 1.00 0.00 H new ATOM 0 HA3 GLY B 79 13.131 -2.076 14.479 1.00 0.00 H new ATOM 2733 N GLN B 80 10.386 -1.407 14.143 1.00 0.00 N ATOM 2734 CA GLN B 80 9.030 -1.173 14.625 1.00 0.00 C ATOM 2735 C GLN B 80 8.290 -0.211 13.701 1.00 0.00 C ATOM 2736 O GLN B 80 7.554 0.664 14.156 1.00 0.00 O ATOM 2737 CB GLN B 80 9.065 -0.611 16.049 1.00 0.00 C ATOM 2738 CG GLN B 80 7.931 -1.108 16.931 1.00 0.00 C ATOM 2739 CD GLN B 80 6.577 -1.011 16.255 1.00 0.00 C ATOM 2740 OE1 GLN B 80 6.385 -1.798 15.203 1.00 0.00 O flip ATOM 2741 NE2 GLN B 80 5.715 -0.239 16.674 1.00 0.00 N flip ATOM 0 H GLN B 80 10.773 -0.645 13.587 1.00 0.00 H new ATOM 0 HA GLN B 80 8.498 -2.125 14.632 1.00 0.00 H new ATOM 0 HB2 GLN B 80 10.016 -0.876 16.511 1.00 0.00 H new ATOM 0 HB3 GLN B 80 9.026 0.477 16.002 1.00 0.00 H new ATOM 0 HG2 GLN B 80 8.120 -2.145 17.209 1.00 0.00 H new ATOM 0 HG3 GLN B 80 7.914 -0.529 17.854 1.00 0.00 H new ATOM 0 HE21 GLN B 80 5.907 0.347 17.486 1.00 0.00 H new ATOM 0 HE22 GLN B 80 4.809 -0.186 16.209 1.00 0.00 H new ATOM 2750 N VAL B 81 8.496 -0.377 12.398 1.00 0.00 N ATOM 2751 CA VAL B 81 7.858 0.477 11.404 1.00 0.00 C ATOM 2752 C VAL B 81 7.768 -0.227 10.053 1.00 0.00 C ATOM 2753 O VAL B 81 8.383 -1.272 9.847 1.00 0.00 O ATOM 2754 CB VAL B 81 8.632 1.799 11.235 1.00 0.00 C ATOM 2755 CG1 VAL B 81 8.080 2.606 10.072 1.00 0.00 C ATOM 2756 CG2 VAL B 81 8.589 2.609 12.522 1.00 0.00 C ATOM 0 H VAL B 81 9.102 -1.098 12.006 1.00 0.00 H new ATOM 0 HA VAL B 81 6.851 0.693 11.762 1.00 0.00 H new ATOM 0 HB VAL B 81 9.672 1.560 11.014 1.00 0.00 H new ATOM 0 HG11 VAL B 81 8.643 3.534 9.974 1.00 0.00 H new ATOM 0 HG12 VAL B 81 8.170 2.028 9.153 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.030 2.836 10.254 1.00 0.00 H new ATOM 0 HG21 VAL B 81 9.140 3.539 12.385 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.553 2.835 12.775 1.00 0.00 H new ATOM 0 HG23 VAL B 81 9.043 2.034 13.329 1.00 0.00 H new ATOM 2766 N ALA B 82 7.000 0.352 9.137 1.00 0.00 N ATOM 2767 CA ALA B 82 6.834 -0.217 7.805 1.00 0.00 C ATOM 2768 C ALA B 82 7.106 0.834 6.736 1.00 0.00 C ATOM 2769 O ALA B 82 7.014 2.033 7.000 1.00 0.00 O ATOM 2770 CB ALA B 82 5.436 -0.794 7.645 1.00 0.00 C ATOM 0 H ALA B 82 6.482 1.217 9.293 1.00 0.00 H new ATOM 0 HA ALA B 82 7.556 -1.024 7.682 1.00 0.00 H new ATOM 0 HB1 ALA B 82 5.328 -1.215 6.645 1.00 0.00 H new ATOM 0 HB2 ALA B 82 5.278 -1.577 8.387 1.00 0.00 H new ATOM 0 HB3 ALA B 82 4.698 -0.005 7.788 1.00 0.00 H new ATOM 2776 N ILE B 83 7.445 0.386 5.531 1.00 0.00 N ATOM 2777 CA ILE B 83 7.735 1.307 4.439 1.00 0.00 C ATOM 2778 C ILE B 83 7.351 0.720 3.085 1.00 0.00 C ATOM 2779 O ILE B 83 7.697 -0.418 2.766 1.00 0.00 O ATOM 2780 CB ILE B 83 9.229 1.689 4.400 1.00 0.00 C ATOM 2781 CG1 ILE B 83 9.918 1.343 5.728 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.386 3.169 4.076 1.00 0.00 C ATOM 2783 CD1 ILE B 83 9.614 2.312 6.853 1.00 0.00 C ATOM 0 H ILE B 83 7.525 -0.601 5.288 1.00 0.00 H new ATOM 0 HA ILE B 83 7.136 2.197 4.629 1.00 0.00 H new ATOM 0 HB ILE B 83 9.713 1.110 3.613 1.00 0.00 H new ATOM 0 HG12 ILE B 83 9.614 0.342 6.033 1.00 0.00 H new ATOM 0 HG13 ILE B 83 10.996 1.314 5.569 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.445 3.426 4.052 1.00 0.00 H new ATOM 0 HG22 ILE B 83 8.939 3.378 3.104 1.00 0.00 H new ATOM 0 HG23 ILE B 83 8.886 3.764 4.840 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.138 1.998 7.756 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.944 3.312 6.571 1.00 0.00 H new ATOM 0 HD13 ILE B 83 8.541 2.324 7.042 1.00 0.00 H new ATOM 2795 N LEU B 84 6.644 1.517 2.289 1.00 0.00 N ATOM 2796 CA LEU B 84 6.217 1.099 0.959 1.00 0.00 C ATOM 2797 C LEU B 84 6.688 2.108 -0.090 1.00 0.00 C ATOM 2798 O LEU B 84 6.094 3.174 -0.253 1.00 0.00 O ATOM 2799 CB LEU B 84 4.688 0.935 0.920 1.00 0.00 C ATOM 2800 CG LEU B 84 3.981 1.530 -0.302 1.00 0.00 C ATOM 2801 CD1 LEU B 84 4.258 0.689 -1.538 1.00 0.00 C ATOM 2802 CD2 LEU B 84 2.484 1.637 -0.050 1.00 0.00 C ATOM 0 H LEU B 84 6.354 2.461 2.545 1.00 0.00 H new ATOM 0 HA LEU B 84 6.669 0.134 0.728 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.455 -0.129 0.968 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.270 1.394 1.816 1.00 0.00 H new ATOM 0 HG LEU B 84 4.372 2.533 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU B 84 3.748 1.126 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU B 84 5.331 0.663 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 84 3.893 -0.326 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU B 84 1.997 2.062 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU B 84 2.076 0.645 0.147 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.305 2.281 0.811 1.00 0.00 H new ATOM 2814 N LEU B 85 7.765 1.764 -0.791 1.00 0.00 N ATOM 2815 CA LEU B 85 8.325 2.639 -1.818 1.00 0.00 C ATOM 2816 C LEU B 85 7.916 2.182 -3.210 1.00 0.00 C ATOM 2817 O LEU B 85 8.000 1.000 -3.533 1.00 0.00 O ATOM 2818 CB LEU B 85 9.850 2.664 -1.715 1.00 0.00 C ATOM 2819 CG LEU B 85 10.433 3.937 -1.107 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.012 4.067 0.345 1.00 0.00 C ATOM 2821 CD2 LEU B 85 11.949 3.940 -1.232 1.00 0.00 C ATOM 0 H LEU B 85 8.268 0.885 -0.667 1.00 0.00 H new ATOM 0 HA LEU B 85 7.933 3.643 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.173 1.812 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.269 2.530 -2.712 1.00 0.00 H new ATOM 0 HG LEU B 85 10.045 4.796 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.435 4.979 0.766 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.925 4.109 0.406 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.374 3.206 0.907 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.348 4.855 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.359 3.077 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU B 85 12.227 3.891 -2.285 1.00 0.00 H new ATOM 2833 N PHE B 86 7.481 3.129 -4.035 1.00 0.00 N ATOM 2834 CA PHE B 86 7.067 2.820 -5.399 1.00 0.00 C ATOM 2835 C PHE B 86 6.782 4.091 -6.197 1.00 0.00 C ATOM 2836 O PHE B 86 5.939 4.902 -5.814 1.00 0.00 O ATOM 2837 CB PHE B 86 5.836 1.905 -5.387 1.00 0.00 C ATOM 2838 CG PHE B 86 4.522 2.638 -5.368 1.00 0.00 C ATOM 2839 CD1 PHE B 86 4.058 3.228 -4.204 1.00 0.00 C ATOM 2840 CD2 PHE B 86 3.751 2.732 -6.517 1.00 0.00 C ATOM 2841 CE1 PHE B 86 2.850 3.900 -4.186 1.00 0.00 C ATOM 2842 CE2 PHE B 86 2.543 3.403 -6.504 1.00 0.00 C ATOM 2843 CZ PHE B 86 2.091 3.986 -5.337 1.00 0.00 C ATOM 0 H PHE B 86 7.406 4.115 -3.784 1.00 0.00 H new ATOM 0 HA PHE B 86 7.889 2.299 -5.889 1.00 0.00 H new ATOM 0 HB2 PHE B 86 5.867 1.261 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE B 86 5.889 1.255 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE B 86 4.646 3.162 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE B 86 4.099 2.276 -7.432 1.00 0.00 H new ATOM 0 HE1 PHE B 86 2.500 4.358 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE B 86 1.953 3.471 -7.406 1.00 0.00 H new ATOM 0 HZ PHE B 86 1.146 4.508 -5.324 1.00 0.00 H new ATOM 2853 N LYS B 87 7.491 4.247 -7.310 1.00 0.00 N ATOM 2854 CA LYS B 87 7.322 5.408 -8.176 1.00 0.00 C ATOM 2855 C LYS B 87 6.543 5.033 -9.433 1.00 0.00 C ATOM 2856 O LYS B 87 6.334 3.853 -9.714 1.00 0.00 O ATOM 2857 CB LYS B 87 8.687 5.983 -8.561 1.00 0.00 C ATOM 2858 CG LYS B 87 9.719 4.923 -8.907 1.00 0.00 C ATOM 2859 CD LYS B 87 11.090 5.538 -9.134 1.00 0.00 C ATOM 2860 CE LYS B 87 11.132 6.347 -10.420 1.00 0.00 C ATOM 2861 NZ LYS B 87 12.201 5.871 -11.339 1.00 0.00 N ATOM 0 H LYS B 87 8.191 3.580 -7.635 1.00 0.00 H new ATOM 0 HA LYS B 87 6.758 6.164 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS B 87 8.563 6.650 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS B 87 9.063 6.588 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS B 87 9.776 4.191 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS B 87 9.406 4.387 -9.803 1.00 0.00 H new ATOM 0 HD2 LYS B 87 11.346 6.180 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS B 87 11.841 4.749 -9.174 1.00 0.00 H new ATOM 0 HE2 LYS B 87 10.166 6.282 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS B 87 11.298 7.398 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 12.143 6.391 -12.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 13.131 6.035 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 12.077 4.854 -11.519 1.00 0.00 H new ATOM 2875 N SER B 88 6.115 6.040 -10.186 1.00 0.00 N ATOM 2876 CA SER B 88 5.359 5.808 -11.412 1.00 0.00 C ATOM 2877 C SER B 88 6.060 6.436 -12.606 1.00 0.00 C ATOM 2878 O SER B 88 5.455 6.673 -13.651 1.00 0.00 O ATOM 2879 CB SER B 88 3.951 6.377 -11.283 1.00 0.00 C ATOM 2880 OG SER B 88 3.100 5.481 -10.588 1.00 0.00 O ATOM 0 H SER B 88 6.278 7.023 -9.970 1.00 0.00 H new ATOM 0 HA SER B 88 5.296 4.732 -11.571 1.00 0.00 H new ATOM 0 HB2 SER B 88 3.988 7.331 -10.757 1.00 0.00 H new ATOM 0 HB3 SER B 88 3.543 6.576 -12.274 1.00 0.00 H new ATOM 0 HG SER B 88 3.012 5.770 -9.656 1.00 0.00 H new ATOM 2886 N GLY B 89 7.342 6.699 -12.432 1.00 0.00 N ATOM 2887 CA GLY B 89 8.134 7.300 -13.490 1.00 0.00 C ATOM 2888 C GLY B 89 8.480 6.314 -14.589 1.00 0.00 C ATOM 2889 O GLY B 89 7.549 5.701 -15.153 1.00 0.00 O ATOM 2890 OXT GLY B 89 9.683 6.153 -14.885 1.00 0.00 O ATOM 0 H GLY B 89 7.856 6.507 -11.572 1.00 0.00 H new ATOM 0 HA2 GLY B 89 7.585 8.139 -13.918 1.00 0.00 H new ATOM 0 HA3 GLY B 89 9.053 7.704 -13.066 1.00 0.00 H new TER 2894 GLY B 89