USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1350 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: A 15 HIS : no HD1:sc= -5.15! C(o=-13!,f=-18!) USER MOD Set 1.2: A 24 LYS NZ :NH3+ 172:sc= -0.171 (180deg=-0.311) USER MOD Set 1.3: A 25 HIS : no HD1:sc= -0.702 K(o=-13,f=-14) USER MOD Set 1.4: B 85 HIS : no HE2:sc= -7.42! C(o=-13!,f=-23!) USER MOD Set 2.1: B 17 TYR OH : rot 60:sc= -1.42 USER MOD Set 2.2: B 38 ASN : amide:sc= -2.19! K(o=-3.6!,f=-1.8) USER MOD Set 3.1: B 33 LYS NZ :NH3+ 153:sc= 0.624 (180deg=-0.103) USER MOD Set 3.2: B 37 ASN : amide:sc= -5.66! K(o=-5!,f=-0.97) USER MOD Set 4.1: B 29 LYS NZ :NH3+ -168:sc= -0.969 (180deg=-1.78) USER MOD Set 4.2: B 57 MET CE :methyl -163:sc= -0.542 (180deg=-1.15) USER MOD Set 5.1: A 85 HIS : no HE2:sc= -7.48! C(o=-14!,f=-22!) USER MOD Set 5.2: B 15 HIS : no HD1:sc= -5.23! C(o=-14!,f=-18!) USER MOD Set 5.3: B 24 LYS NZ :NH3+ 169:sc= -0.174 (180deg=-0.31) USER MOD Set 5.4: B 25 HIS : no HD1:sc= -0.862 X(o=-14,f=-14) USER MOD Set 6.1: A 81 THR OG1 : rot 58:sc= -0.186 USER MOD Set 6.2: B 7 MET CE :methyl -168:sc= -0.232 (180deg=-0.78) USER MOD Set 7.1: A 33 LYS NZ :NH3+ 158:sc= 0.603 (180deg=-0.199) USER MOD Set 7.2: A 37 ASN : amide:sc= -5.58! K(o=-5!,f=-1.1) USER MOD Set 8.1: A 29 LYS NZ :NH3+ -167:sc= -1.08 (180deg=-1.8) USER MOD Set 8.2: A 57 MET CE :methyl -165:sc= -0.603 (180deg=-1.15) USER MOD Set 9.1: A 17 TYR OH : rot 30:sc= -1.4 USER MOD Set 9.2: A 38 ASN : amide:sc= -2.42! K(o=-3.8!,f=-1.8) USER MOD Set10.1: A 7 MET CE :methyl -168:sc= -0.229 (180deg=-0.784) USER MOD Set10.2: B 81 THR OG1 : rot 62:sc= -0.196 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.05 X(o=-1,f=-0.65) USER MOD Single : A 18 SER OG : rot 105:sc= 1.11 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0.00603 (180deg=0.00148) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -1.95 (180deg=-3.48!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -133:sc= 0.15 USER MOD Single : A 42 HIS : no HD1:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= -0.18 (180deg=-0.87) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.138) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -30:sc= 1.28 USER MOD Single : A 71 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.44) USER MOD Single : A 74 MET CE :methyl -176:sc= -1.63! (180deg=-1.64!) USER MOD Single : A 78 SER OG : rot -179:sc= 0.165 USER MOD Single : A 79 MET CE :methyl 172:sc= -0.372 (180deg=-0.393) USER MOD Single : A 82 THR OG1 : rot -92:sc= -0.442 USER MOD Single : A 84 CYS SG : rot -22:sc= 0.247 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.65) USER MOD Single : B 18 SER OG : rot 104:sc= 1.03 USER MOD Single : B 26 LYS NZ :NH3+ -173:sc= 0.00613 (180deg=0.00334) USER MOD Single : B 28 LYS NZ :NH3+ 153:sc= -1.98 (180deg=-3.48!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot -136:sc= 0.135 USER MOD Single : B 42 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single : B 48 LYS NZ :NH3+ 158:sc= -0.115 (180deg=-0.775) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.105) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot -35:sc= 1.29 USER MOD Single : B 71 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.5) USER MOD Single : B 74 MET CE :methyl -178:sc= -1.67! (180deg=-1.7!) USER MOD Single : B 78 SER OG : rot -176:sc= 0.0681 USER MOD Single : B 79 MET CE :methyl 171:sc= -0.374 (180deg=-0.388) USER MOD Single : B 82 THR OG1 : rot -90:sc= -0.451 USER MOD Single : B 84 CYS SG : rot -26:sc= 0.345 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.931 1.057 12.634 1.00 0.00 N ATOM 32 CA GLU A 2 -6.796 0.204 12.172 1.00 0.00 C ATOM 33 C GLU A 2 -6.005 0.920 11.069 1.00 0.00 C ATOM 34 O GLU A 2 -4.803 0.772 10.959 1.00 0.00 O ATOM 35 CB GLU A 2 -7.343 -1.119 11.630 1.00 0.00 C ATOM 36 CG GLU A 2 -8.079 -1.863 12.746 1.00 0.00 C ATOM 37 CD GLU A 2 -8.542 -3.229 12.233 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.969 -3.297 11.093 1.00 0.00 O ATOM 39 OE2 GLU A 2 -8.462 -4.183 12.989 1.00 0.00 O ATOM 0 HA GLU A 2 -6.132 0.012 13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.020 -0.931 10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.527 -1.732 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.423 -1.990 13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.936 -1.280 13.082 1.00 0.00 H new ATOM 46 N LEU A 3 -6.669 1.677 10.240 1.00 0.00 N ATOM 47 CA LEU A 3 -5.974 2.379 9.134 1.00 0.00 C ATOM 48 C LEU A 3 -5.058 3.494 9.675 1.00 0.00 C ATOM 49 O LEU A 3 -4.127 3.908 9.013 1.00 0.00 O ATOM 50 CB LEU A 3 -7.066 2.969 8.226 1.00 0.00 C ATOM 51 CG LEU A 3 -6.690 2.857 6.748 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.368 3.592 6.486 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.575 1.375 6.317 1.00 0.00 C ATOM 0 H LEU A 3 -7.675 1.839 10.286 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.337 1.688 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.007 2.449 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.227 4.016 8.483 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.479 3.321 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.107 3.507 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.478 4.644 6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.578 3.147 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.307 1.323 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.806 0.882 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.531 0.875 6.473 1.00 0.00 H new ATOM 65 N GLU A 4 -5.311 3.991 10.855 1.00 0.00 N ATOM 66 CA GLU A 4 -4.443 5.082 11.394 1.00 0.00 C ATOM 67 C GLU A 4 -3.087 4.513 11.811 1.00 0.00 C ATOM 68 O GLU A 4 -2.066 5.156 11.670 1.00 0.00 O ATOM 69 CB GLU A 4 -5.110 5.729 12.607 1.00 0.00 C ATOM 70 CG GLU A 4 -6.292 6.580 12.143 1.00 0.00 C ATOM 71 CD GLU A 4 -6.965 7.229 13.354 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.252 7.622 14.263 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.181 7.322 13.351 1.00 0.00 O ATOM 0 H GLU A 4 -6.072 3.694 11.465 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.299 5.831 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.451 4.961 13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.391 6.348 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.950 7.348 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.009 5.961 11.604 1.00 0.00 H new ATOM 80 N LYS A 5 -3.062 3.314 12.321 1.00 0.00 N ATOM 81 CA LYS A 5 -1.765 2.717 12.742 1.00 0.00 C ATOM 82 C LYS A 5 -0.908 2.461 11.501 1.00 0.00 C ATOM 83 O LYS A 5 0.267 2.767 11.473 1.00 0.00 O ATOM 84 CB LYS A 5 -2.032 1.394 13.486 1.00 0.00 C ATOM 85 CG LYS A 5 -2.308 1.681 14.973 1.00 0.00 C ATOM 86 CD LYS A 5 -3.120 0.529 15.607 1.00 0.00 C ATOM 87 CE LYS A 5 -4.622 0.833 15.519 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.397 -0.417 15.759 1.00 0.00 N ATOM 0 H LYS A 5 -3.881 2.723 12.464 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.237 3.398 13.409 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.884 0.881 13.041 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.173 0.730 13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.365 1.805 15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.856 2.618 15.073 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.900 -0.407 15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.828 0.398 16.649 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.894 1.589 16.255 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.864 1.241 14.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.415 -0.211 15.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.144 -1.125 15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.174 -0.788 16.705 1.00 0.00 H new ATOM 102 N ALA A 6 -1.486 1.903 10.476 1.00 0.00 N ATOM 103 CA ALA A 6 -0.703 1.631 9.243 1.00 0.00 C ATOM 104 C ALA A 6 -0.247 2.950 8.630 1.00 0.00 C ATOM 105 O ALA A 6 0.903 3.125 8.280 1.00 0.00 O ATOM 106 CB ALA A 6 -1.587 0.882 8.241 1.00 0.00 C ATOM 0 H ALA A 6 -2.466 1.624 10.440 1.00 0.00 H new ATOM 0 HA ALA A 6 0.169 1.025 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.018 0.680 7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.917 -0.060 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.456 1.492 7.995 1.00 0.00 H new ATOM 112 N MET A 7 -1.144 3.874 8.491 1.00 0.00 N ATOM 113 CA MET A 7 -0.783 5.183 7.891 1.00 0.00 C ATOM 114 C MET A 7 0.304 5.863 8.721 1.00 0.00 C ATOM 115 O MET A 7 1.178 6.516 8.191 1.00 0.00 O ATOM 116 CB MET A 7 -2.035 6.065 7.843 1.00 0.00 C ATOM 117 CG MET A 7 -1.741 7.362 7.088 1.00 0.00 C ATOM 118 SD MET A 7 -3.164 8.476 7.220 1.00 0.00 S ATOM 119 CE MET A 7 -4.221 7.672 5.988 1.00 0.00 C ATOM 0 H MET A 7 -2.121 3.781 8.769 1.00 0.00 H new ATOM 0 HA MET A 7 -0.399 5.030 6.882 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.848 5.528 7.354 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.367 6.293 8.856 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.852 7.841 7.499 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.531 7.146 6.040 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.066 8.320 5.756 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.646 7.486 5.081 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.588 6.726 6.385 1.00 0.00 H new ATOM 129 N VAL A 8 0.271 5.716 10.013 1.00 0.00 N ATOM 130 CA VAL A 8 1.321 6.360 10.853 1.00 0.00 C ATOM 131 C VAL A 8 2.554 5.458 10.876 1.00 0.00 C ATOM 132 O VAL A 8 3.678 5.914 10.799 1.00 0.00 O ATOM 133 CB VAL A 8 0.790 6.559 12.276 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.929 7.008 13.198 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.306 7.630 12.260 1.00 0.00 C ATOM 0 H VAL A 8 -0.432 5.182 10.524 1.00 0.00 H new ATOM 0 HA VAL A 8 1.587 7.332 10.438 1.00 0.00 H new ATOM 0 HB VAL A 8 0.381 5.618 12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.545 7.148 14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.710 6.248 13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.343 7.948 12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.687 7.775 13.271 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.107 8.568 11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.119 7.309 11.608 1.00 0.00 H new ATOM 145 N ALA A 9 2.345 4.178 10.981 1.00 0.00 N ATOM 146 CA ALA A 9 3.493 3.233 11.012 1.00 0.00 C ATOM 147 C ALA A 9 4.251 3.293 9.682 1.00 0.00 C ATOM 148 O ALA A 9 5.455 3.111 9.636 1.00 0.00 O ATOM 149 CB ALA A 9 2.974 1.812 11.235 1.00 0.00 C ATOM 0 H ALA A 9 1.425 3.743 11.047 1.00 0.00 H new ATOM 0 HA ALA A 9 4.166 3.511 11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.814 1.117 11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.438 1.765 12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.300 1.539 10.423 1.00 0.00 H new ATOM 155 N LEU A 10 3.567 3.538 8.594 1.00 0.00 N ATOM 156 CA LEU A 10 4.269 3.591 7.279 1.00 0.00 C ATOM 157 C LEU A 10 4.982 4.939 7.121 1.00 0.00 C ATOM 158 O LEU A 10 6.129 4.990 6.736 1.00 0.00 O ATOM 159 CB LEU A 10 3.235 3.383 6.158 1.00 0.00 C ATOM 160 CG LEU A 10 3.010 1.861 5.905 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.523 1.573 5.656 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.829 1.408 4.687 1.00 0.00 C ATOM 0 H LEU A 10 2.561 3.702 8.560 1.00 0.00 H new ATOM 0 HA LEU A 10 5.021 2.804 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.292 3.856 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.579 3.864 5.242 1.00 0.00 H new ATOM 0 HG LEU A 10 3.335 1.311 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.383 0.506 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.943 1.877 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.186 2.131 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.668 0.344 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.514 1.969 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.888 1.589 4.873 1.00 0.00 H new ATOM 174 N ILE A 11 4.320 6.026 7.414 1.00 0.00 N ATOM 175 CA ILE A 11 4.966 7.368 7.276 1.00 0.00 C ATOM 176 C ILE A 11 6.367 7.315 7.891 1.00 0.00 C ATOM 177 O ILE A 11 7.274 7.998 7.460 1.00 0.00 O ATOM 178 CB ILE A 11 4.111 8.416 8.010 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.817 8.690 7.205 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.909 9.718 8.200 1.00 0.00 C ATOM 181 CD1 ILE A 11 3.047 9.761 6.126 1.00 0.00 C ATOM 0 H ILE A 11 3.355 6.044 7.745 1.00 0.00 H new ATOM 0 HA ILE A 11 5.044 7.640 6.223 1.00 0.00 H new ATOM 0 HB ILE A 11 3.842 8.031 8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.475 7.767 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.027 9.016 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.292 10.450 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.804 9.514 8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.197 10.113 7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.120 9.931 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.365 10.691 6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.819 9.422 5.436 1.00 0.00 H new ATOM 193 N ASP A 12 6.551 6.494 8.887 1.00 0.00 N ATOM 194 CA ASP A 12 7.894 6.385 9.516 1.00 0.00 C ATOM 195 C ASP A 12 8.814 5.609 8.579 1.00 0.00 C ATOM 196 O ASP A 12 9.903 6.043 8.261 1.00 0.00 O ATOM 197 CB ASP A 12 7.784 5.646 10.852 1.00 0.00 C ATOM 198 CG ASP A 12 7.035 6.515 11.862 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.250 7.715 11.857 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.259 5.965 12.627 1.00 0.00 O ATOM 0 H ASP A 12 5.831 5.896 9.291 1.00 0.00 H new ATOM 0 HA ASP A 12 8.298 7.382 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.261 4.700 10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.778 5.408 11.230 1.00 0.00 H new ATOM 205 N VAL A 13 8.383 4.465 8.124 1.00 0.00 N ATOM 206 CA VAL A 13 9.236 3.674 7.199 1.00 0.00 C ATOM 207 C VAL A 13 9.228 4.330 5.818 1.00 0.00 C ATOM 208 O VAL A 13 10.161 4.187 5.053 1.00 0.00 O ATOM 209 CB VAL A 13 8.717 2.233 7.099 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.769 1.362 6.412 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.449 1.690 8.505 1.00 0.00 C ATOM 0 H VAL A 13 7.481 4.047 8.352 1.00 0.00 H new ATOM 0 HA VAL A 13 10.256 3.649 7.584 1.00 0.00 H new ATOM 0 HB VAL A 13 7.794 2.217 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.403 0.338 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.965 1.749 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.691 1.378 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.080 0.667 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.373 1.704 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.702 2.312 8.999 1.00 0.00 H new ATOM 221 N PHE A 14 8.182 5.041 5.479 1.00 0.00 N ATOM 222 CA PHE A 14 8.136 5.682 4.131 1.00 0.00 C ATOM 223 C PHE A 14 9.133 6.850 4.070 1.00 0.00 C ATOM 224 O PHE A 14 9.900 6.971 3.134 1.00 0.00 O ATOM 225 CB PHE A 14 6.700 6.194 3.855 1.00 0.00 C ATOM 226 CG PHE A 14 5.949 5.233 2.955 1.00 0.00 C ATOM 227 CD1 PHE A 14 6.029 3.854 3.180 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.174 5.725 1.896 1.00 0.00 C ATOM 229 CE1 PHE A 14 5.337 2.967 2.347 1.00 0.00 C ATOM 230 CE2 PHE A 14 4.483 4.838 1.064 1.00 0.00 C ATOM 231 CZ PHE A 14 4.564 3.459 1.289 1.00 0.00 C ATOM 0 H PHE A 14 7.367 5.204 6.070 1.00 0.00 H new ATOM 0 HA PHE A 14 8.410 4.949 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.164 6.312 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.743 7.178 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.625 3.474 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.110 6.789 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.400 1.903 2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.887 5.217 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.030 2.775 0.646 1.00 0.00 H new ATOM 241 N HIS A 15 9.113 7.725 5.038 1.00 0.00 N ATOM 242 CA HIS A 15 10.045 8.891 5.001 1.00 0.00 C ATOM 243 C HIS A 15 11.468 8.451 5.386 1.00 0.00 C ATOM 244 O HIS A 15 12.441 9.006 4.917 1.00 0.00 O ATOM 245 CB HIS A 15 9.534 9.978 5.984 1.00 0.00 C ATOM 246 CG HIS A 15 9.518 11.343 5.329 1.00 0.00 C ATOM 247 ND1 HIS A 15 8.673 12.352 5.765 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.216 11.875 4.268 1.00 0.00 C ATOM 249 CE1 HIS A 15 8.876 13.423 4.978 1.00 0.00 C ATOM 250 NE2 HIS A 15 9.805 13.186 4.049 1.00 0.00 N ATOM 0 H HIS A 15 8.496 7.685 5.849 1.00 0.00 H new ATOM 0 HA HIS A 15 10.077 9.299 3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.530 9.723 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.172 10.003 6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.968 11.354 3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.351 14.361 5.084 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.142 13.829 3.332 1.00 0.00 H new ATOM 258 N GLN A 16 11.598 7.478 6.246 1.00 0.00 N ATOM 259 CA GLN A 16 12.960 7.036 6.663 1.00 0.00 C ATOM 260 C GLN A 16 13.693 6.373 5.491 1.00 0.00 C ATOM 261 O GLN A 16 14.870 6.596 5.276 1.00 0.00 O ATOM 262 CB GLN A 16 12.836 6.042 7.821 1.00 0.00 C ATOM 263 CG GLN A 16 12.469 6.797 9.101 1.00 0.00 C ATOM 264 CD GLN A 16 12.023 5.805 10.176 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.271 6.153 11.065 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.458 4.576 10.135 1.00 0.00 N ATOM 0 H GLN A 16 10.824 6.972 6.676 1.00 0.00 H new ATOM 0 HA GLN A 16 13.532 7.907 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.074 5.296 7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.776 5.507 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.326 7.370 9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.670 7.510 8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.089 4.283 9.389 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.167 3.908 10.849 1.00 0.00 H new ATOM 275 N TYR A 17 13.016 5.558 4.728 1.00 0.00 N ATOM 276 CA TYR A 17 13.691 4.884 3.579 1.00 0.00 C ATOM 277 C TYR A 17 13.651 5.789 2.352 1.00 0.00 C ATOM 278 O TYR A 17 14.676 6.144 1.807 1.00 0.00 O ATOM 279 CB TYR A 17 12.995 3.546 3.286 1.00 0.00 C ATOM 280 CG TYR A 17 13.496 2.509 4.267 1.00 0.00 C ATOM 281 CD1 TYR A 17 12.928 2.418 5.542 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.544 1.653 3.905 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.405 1.470 6.456 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.022 0.708 4.819 1.00 0.00 C ATOM 285 CZ TYR A 17 14.453 0.616 6.095 1.00 0.00 C ATOM 286 OH TYR A 17 14.927 -0.313 6.998 1.00 0.00 O ATOM 0 H TYR A 17 12.029 5.330 4.849 1.00 0.00 H new ATOM 0 HA TYR A 17 14.733 4.689 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.914 3.656 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.202 3.229 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.121 3.079 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 17 14.983 1.723 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.964 1.398 7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.831 0.049 4.540 1.00 0.00 H new ATOM 0 HH TYR A 17 14.201 -0.588 7.596 1.00 0.00 H new ATOM 296 N SER A 18 12.490 6.178 1.911 1.00 0.00 N ATOM 297 CA SER A 18 12.426 7.070 0.722 1.00 0.00 C ATOM 298 C SER A 18 13.388 8.247 0.929 1.00 0.00 C ATOM 299 O SER A 18 13.885 8.832 -0.014 1.00 0.00 O ATOM 300 CB SER A 18 10.999 7.593 0.548 1.00 0.00 C ATOM 301 OG SER A 18 10.080 6.527 0.754 1.00 0.00 O ATOM 0 H SER A 18 11.590 5.921 2.317 1.00 0.00 H new ATOM 0 HA SER A 18 12.712 6.515 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.805 8.398 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.872 8.011 -0.451 1.00 0.00 H new ATOM 0 HG SER A 18 9.652 6.629 1.630 1.00 0.00 H new ATOM 307 N GLY A 19 13.646 8.600 2.167 1.00 0.00 N ATOM 308 CA GLY A 19 14.569 9.743 2.463 1.00 0.00 C ATOM 309 C GLY A 19 15.960 9.232 2.871 1.00 0.00 C ATOM 310 O GLY A 19 16.835 10.010 3.200 1.00 0.00 O ATOM 0 H GLY A 19 13.254 8.142 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.655 10.383 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.152 10.354 3.263 1.00 0.00 H new ATOM 314 N ARG A 20 16.189 7.943 2.848 1.00 0.00 N ATOM 315 CA ARG A 20 17.539 7.421 3.229 1.00 0.00 C ATOM 316 C ARG A 20 18.587 8.035 2.306 1.00 0.00 C ATOM 317 O ARG A 20 19.647 8.447 2.732 1.00 0.00 O ATOM 318 CB ARG A 20 17.556 5.892 3.081 1.00 0.00 C ATOM 319 CG ARG A 20 18.950 5.318 3.383 1.00 0.00 C ATOM 320 CD ARG A 20 18.976 3.835 3.002 1.00 0.00 C ATOM 321 NE ARG A 20 20.246 3.221 3.479 1.00 0.00 N ATOM 322 CZ ARG A 20 20.636 2.072 2.996 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.900 1.453 2.114 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.758 1.543 3.399 1.00 0.00 N ATOM 0 H ARG A 20 15.506 7.233 2.584 1.00 0.00 H new ATOM 0 HA ARG A 20 17.760 7.685 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.824 5.451 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.259 5.619 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.710 5.863 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.185 5.438 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.123 3.320 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.890 3.725 1.921 1.00 0.00 H new ATOM 0 HE ARG A 20 20.811 3.697 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.021 1.867 1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.204 0.556 1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.330 2.027 4.091 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.063 0.646 3.022 1.00 0.00 H new ATOM 338 N GLU A 21 18.290 8.104 1.044 1.00 0.00 N ATOM 339 CA GLU A 21 19.265 8.699 0.088 1.00 0.00 C ATOM 340 C GLU A 21 18.586 8.939 -1.262 1.00 0.00 C ATOM 341 O GLU A 21 17.469 8.519 -1.488 1.00 0.00 O ATOM 342 CB GLU A 21 20.464 7.752 -0.073 1.00 0.00 C ATOM 343 CG GLU A 21 20.019 6.411 -0.693 1.00 0.00 C ATOM 344 CD GLU A 21 20.944 5.284 -0.221 1.00 0.00 C ATOM 345 OE1 GLU A 21 22.148 5.476 -0.261 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.431 4.249 0.172 1.00 0.00 O ATOM 0 H GLU A 21 17.417 7.776 0.630 1.00 0.00 H new ATOM 0 HA GLU A 21 19.619 9.656 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.220 8.218 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.926 7.574 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.990 6.192 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.040 6.479 -1.781 1.00 0.00 H new ATOM 353 N GLY A 22 19.250 9.619 -2.157 1.00 0.00 N ATOM 354 CA GLY A 22 18.642 9.895 -3.492 1.00 0.00 C ATOM 355 C GLY A 22 17.781 11.157 -3.416 1.00 0.00 C ATOM 356 O GLY A 22 18.239 12.210 -3.019 1.00 0.00 O ATOM 0 H GLY A 22 20.188 9.996 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.425 10.022 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.034 9.047 -3.808 1.00 0.00 H new ATOM 360 N ASP A 23 16.535 11.061 -3.796 1.00 0.00 N ATOM 361 CA ASP A 23 15.644 12.255 -3.747 1.00 0.00 C ATOM 362 C ASP A 23 15.139 12.461 -2.318 1.00 0.00 C ATOM 363 O ASP A 23 15.642 11.875 -1.380 1.00 0.00 O ATOM 364 CB ASP A 23 14.457 12.051 -4.689 1.00 0.00 C ATOM 365 CG ASP A 23 14.953 11.494 -6.025 1.00 0.00 C ATOM 366 OD1 ASP A 23 15.687 10.519 -6.001 1.00 0.00 O ATOM 367 OD2 ASP A 23 14.592 12.052 -7.049 1.00 0.00 O ATOM 0 H ASP A 23 16.096 10.206 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 23 16.204 13.136 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.738 11.365 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.939 12.997 -4.847 1.00 0.00 H new ATOM 372 N LYS A 24 14.158 13.306 -2.143 1.00 0.00 N ATOM 373 CA LYS A 24 13.626 13.573 -0.772 1.00 0.00 C ATOM 374 C LYS A 24 12.509 12.581 -0.426 1.00 0.00 C ATOM 375 O LYS A 24 12.128 12.444 0.719 1.00 0.00 O ATOM 376 CB LYS A 24 13.079 15.009 -0.730 1.00 0.00 C ATOM 377 CG LYS A 24 12.538 15.355 0.667 1.00 0.00 C ATOM 378 CD LYS A 24 13.634 15.166 1.732 1.00 0.00 C ATOM 379 CE LYS A 24 13.341 16.049 2.949 1.00 0.00 C ATOM 380 NZ LYS A 24 11.938 15.831 3.399 1.00 0.00 N ATOM 0 H LYS A 24 13.700 13.825 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 24 14.426 13.454 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.868 15.710 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.285 15.121 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.183 16.385 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.683 14.720 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.682 14.120 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.607 15.421 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.033 15.813 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.493 17.098 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.782 16.325 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.282 16.203 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.769 14.813 3.528 1.00 0.00 H new ATOM 394 N HIS A 25 11.973 11.881 -1.392 1.00 0.00 N ATOM 395 CA HIS A 25 10.880 10.918 -1.064 1.00 0.00 C ATOM 396 C HIS A 25 10.625 9.956 -2.228 1.00 0.00 C ATOM 397 O HIS A 25 9.571 9.958 -2.832 1.00 0.00 O ATOM 398 CB HIS A 25 9.603 11.712 -0.740 1.00 0.00 C ATOM 399 CG HIS A 25 8.698 10.911 0.159 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.638 11.122 1.533 1.00 0.00 N ATOM 401 CD2 HIS A 25 7.803 9.903 -0.103 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.737 10.259 2.036 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.202 9.496 1.081 1.00 0.00 N ATOM 0 H HIS A 25 12.238 11.932 -2.376 1.00 0.00 H new ATOM 0 HA HIS A 25 11.177 10.321 -0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.866 12.653 -0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.080 11.963 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.598 9.490 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.479 10.192 3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.499 8.766 1.196 1.00 0.00 H new ATOM 411 N LYS A 26 11.578 9.112 -2.523 1.00 0.00 N ATOM 412 CA LYS A 26 11.402 8.113 -3.617 1.00 0.00 C ATOM 413 C LYS A 26 12.099 6.824 -3.181 1.00 0.00 C ATOM 414 O LYS A 26 13.059 6.852 -2.438 1.00 0.00 O ATOM 415 CB LYS A 26 12.022 8.643 -4.919 1.00 0.00 C ATOM 416 CG LYS A 26 10.997 9.511 -5.660 1.00 0.00 C ATOM 417 CD LYS A 26 11.661 10.204 -6.853 1.00 0.00 C ATOM 418 CE LYS A 26 12.329 9.165 -7.763 1.00 0.00 C ATOM 419 NZ LYS A 26 12.447 9.721 -9.140 1.00 0.00 N ATOM 0 H LYS A 26 12.480 9.072 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 26 10.344 7.927 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.915 9.227 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.334 7.811 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.167 8.894 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.581 10.256 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.917 10.767 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.403 10.920 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.315 8.907 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.742 8.247 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.740 8.968 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.527 10.102 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.156 10.482 -9.148 1.00 0.00 H new ATOM 433 N LEU A 27 11.617 5.694 -3.620 1.00 0.00 N ATOM 434 CA LEU A 27 12.239 4.395 -3.208 1.00 0.00 C ATOM 435 C LEU A 27 13.244 3.915 -4.268 1.00 0.00 C ATOM 436 O LEU A 27 12.913 3.721 -5.421 1.00 0.00 O ATOM 437 CB LEU A 27 11.120 3.348 -3.030 1.00 0.00 C ATOM 438 CG LEU A 27 11.549 2.223 -2.060 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.309 1.476 -1.570 1.00 0.00 C ATOM 440 CD2 LEU A 27 12.468 1.232 -2.778 1.00 0.00 C ATOM 0 H LEU A 27 10.818 5.610 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 27 12.777 4.532 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.221 3.835 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.865 2.918 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 27 12.079 2.667 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.609 0.682 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.647 2.170 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.785 1.042 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.764 0.444 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.939 0.793 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.356 1.753 -3.136 1.00 0.00 H new ATOM 452 N LYS A 28 14.467 3.694 -3.848 1.00 0.00 N ATOM 453 CA LYS A 28 15.537 3.187 -4.774 1.00 0.00 C ATOM 454 C LYS A 28 15.885 1.749 -4.358 1.00 0.00 C ATOM 455 O LYS A 28 15.669 1.353 -3.234 1.00 0.00 O ATOM 456 CB LYS A 28 16.791 4.093 -4.691 1.00 0.00 C ATOM 457 CG LYS A 28 16.664 5.043 -3.501 1.00 0.00 C ATOM 458 CD LYS A 28 18.007 5.701 -3.219 1.00 0.00 C ATOM 459 CE LYS A 28 18.507 6.428 -4.466 1.00 0.00 C ATOM 460 NZ LYS A 28 17.375 7.155 -5.108 1.00 0.00 N ATOM 0 H LYS A 28 14.776 3.845 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 28 15.182 3.202 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.687 3.481 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.901 4.663 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.913 5.804 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.326 4.495 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.909 6.405 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.733 4.948 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.298 7.129 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.938 5.714 -5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.746 7.943 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.848 6.503 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.740 7.527 -4.373 1.00 0.00 H new ATOM 474 N LYS A 29 16.419 0.964 -5.248 1.00 0.00 N ATOM 475 CA LYS A 29 16.763 -0.442 -4.880 1.00 0.00 C ATOM 476 C LYS A 29 17.526 -0.457 -3.549 1.00 0.00 C ATOM 477 O LYS A 29 17.238 -1.244 -2.669 1.00 0.00 O ATOM 478 CB LYS A 29 17.614 -1.075 -5.985 1.00 0.00 C ATOM 479 CG LYS A 29 16.920 -0.881 -7.346 1.00 0.00 C ATOM 480 CD LYS A 29 17.415 -1.939 -8.356 1.00 0.00 C ATOM 481 CE LYS A 29 17.343 -1.379 -9.783 1.00 0.00 C ATOM 482 NZ LYS A 29 16.119 -0.541 -9.924 1.00 0.00 N ATOM 0 H LYS A 29 16.633 1.229 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 29 15.846 -1.020 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.604 -0.619 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.756 -2.137 -5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.840 -0.961 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.125 0.119 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.440 -2.226 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.806 -2.840 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.231 -0.784 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.324 -2.195 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.948 -0.343 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.303 -1.049 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.251 0.355 -9.412 1.00 0.00 H new ATOM 496 N SER A 30 18.489 0.411 -3.389 1.00 0.00 N ATOM 497 CA SER A 30 19.252 0.445 -2.108 1.00 0.00 C ATOM 498 C SER A 30 18.266 0.503 -0.939 1.00 0.00 C ATOM 499 O SER A 30 18.594 0.189 0.184 1.00 0.00 O ATOM 500 CB SER A 30 20.148 1.688 -2.081 1.00 0.00 C ATOM 501 OG SER A 30 21.302 1.454 -2.876 1.00 0.00 O ATOM 0 H SER A 30 18.779 1.096 -4.087 1.00 0.00 H new ATOM 0 HA SER A 30 19.870 -0.449 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.602 2.552 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.439 1.918 -1.056 1.00 0.00 H new ATOM 0 HG SER A 30 21.876 2.248 -2.862 1.00 0.00 H new ATOM 507 N GLU A 31 17.047 0.872 -1.216 1.00 0.00 N ATOM 508 CA GLU A 31 16.004 0.929 -0.145 1.00 0.00 C ATOM 509 C GLU A 31 15.121 -0.300 -0.247 1.00 0.00 C ATOM 510 O GLU A 31 14.743 -0.867 0.745 1.00 0.00 O ATOM 511 CB GLU A 31 15.169 2.200 -0.291 1.00 0.00 C ATOM 512 CG GLU A 31 16.044 3.413 0.023 1.00 0.00 C ATOM 513 CD GLU A 31 15.262 4.688 -0.281 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.047 4.615 -0.303 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.891 5.712 -0.486 1.00 0.00 O ATOM 0 H GLU A 31 16.722 1.139 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 31 16.484 0.947 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.772 2.275 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.314 2.168 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.345 3.398 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.957 3.382 -0.572 1.00 0.00 H new ATOM 522 N LEU A 32 14.797 -0.725 -1.429 1.00 0.00 N ATOM 523 CA LEU A 32 13.936 -1.931 -1.561 1.00 0.00 C ATOM 524 C LEU A 32 14.692 -3.148 -1.026 1.00 0.00 C ATOM 525 O LEU A 32 14.182 -3.897 -0.219 1.00 0.00 O ATOM 526 CB LEU A 32 13.546 -2.124 -3.044 1.00 0.00 C ATOM 527 CG LEU A 32 12.090 -2.596 -3.164 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.691 -2.665 -4.640 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.948 -3.982 -2.534 1.00 0.00 C ATOM 0 H LEU A 32 15.087 -0.295 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 32 13.022 -1.808 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.675 -1.186 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.210 -2.854 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 32 11.440 -1.892 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.657 -3.000 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.789 -1.677 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.342 -3.367 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.914 -4.316 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.601 -4.685 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.228 -3.934 -1.482 1.00 0.00 H new ATOM 541 N LYS A 33 15.902 -3.345 -1.450 1.00 0.00 N ATOM 542 CA LYS A 33 16.674 -4.507 -0.940 1.00 0.00 C ATOM 543 C LYS A 33 16.996 -4.269 0.540 1.00 0.00 C ATOM 544 O LYS A 33 16.998 -5.182 1.342 1.00 0.00 O ATOM 545 CB LYS A 33 17.964 -4.651 -1.765 1.00 0.00 C ATOM 546 CG LYS A 33 18.956 -5.618 -1.067 1.00 0.00 C ATOM 547 CD LYS A 33 20.011 -4.819 -0.277 1.00 0.00 C ATOM 548 CE LYS A 33 20.582 -5.677 0.855 1.00 0.00 C ATOM 549 NZ LYS A 33 20.879 -7.045 0.343 1.00 0.00 N ATOM 0 H LYS A 33 16.390 -2.756 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 33 16.097 -5.427 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.725 -5.024 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.430 -3.674 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.414 -6.283 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.447 -6.246 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.813 -4.502 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.562 -3.915 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.490 -5.220 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.870 -5.732 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.583 -7.501 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.006 -7.611 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.255 -6.980 -0.624 1.00 0.00 H new ATOM 563 N GLU A 34 17.275 -3.046 0.901 1.00 0.00 N ATOM 564 CA GLU A 34 17.607 -2.753 2.331 1.00 0.00 C ATOM 565 C GLU A 34 16.324 -2.721 3.164 1.00 0.00 C ATOM 566 O GLU A 34 16.321 -3.061 4.330 1.00 0.00 O ATOM 567 CB GLU A 34 18.325 -1.406 2.433 1.00 0.00 C ATOM 568 CG GLU A 34 18.812 -1.178 3.866 1.00 0.00 C ATOM 569 CD GLU A 34 19.909 -2.191 4.201 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.034 -1.974 3.783 1.00 0.00 O ATOM 571 OE2 GLU A 34 19.605 -3.165 4.868 1.00 0.00 O ATOM 0 H GLU A 34 17.288 -2.240 0.276 1.00 0.00 H new ATOM 0 HA GLU A 34 18.263 -3.536 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.170 -1.382 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.651 -0.602 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.195 -0.163 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.981 -1.282 4.564 1.00 0.00 H new ATOM 578 N LEU A 35 15.234 -2.326 2.574 1.00 0.00 N ATOM 579 CA LEU A 35 13.948 -2.284 3.323 1.00 0.00 C ATOM 580 C LEU A 35 13.500 -3.718 3.585 1.00 0.00 C ATOM 581 O LEU A 35 12.954 -4.040 4.621 1.00 0.00 O ATOM 582 CB LEU A 35 12.900 -1.564 2.463 1.00 0.00 C ATOM 583 CG LEU A 35 11.490 -1.738 3.052 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.460 -1.270 4.507 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.503 -0.907 2.232 1.00 0.00 C ATOM 0 H LEU A 35 15.177 -2.029 1.600 1.00 0.00 H new ATOM 0 HA LEU A 35 14.067 -1.754 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.143 -0.503 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.925 -1.958 1.447 1.00 0.00 H new ATOM 0 HG LEU A 35 11.215 -2.792 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.456 -1.399 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.165 -1.859 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.738 -0.217 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.500 -1.024 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.791 0.144 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.513 -1.247 1.196 1.00 0.00 H new ATOM 597 N ILE A 36 13.721 -4.576 2.638 1.00 0.00 N ATOM 598 CA ILE A 36 13.303 -5.988 2.800 1.00 0.00 C ATOM 599 C ILE A 36 14.166 -6.664 3.867 1.00 0.00 C ATOM 600 O ILE A 36 13.692 -7.456 4.657 1.00 0.00 O ATOM 601 CB ILE A 36 13.453 -6.704 1.453 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.373 -6.194 0.499 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.290 -8.214 1.631 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.696 -6.638 -0.928 1.00 0.00 C ATOM 0 H ILE A 36 14.177 -4.358 1.752 1.00 0.00 H new ATOM 0 HA ILE A 36 12.262 -6.037 3.120 1.00 0.00 H new ATOM 0 HB ILE A 36 14.445 -6.501 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.398 -6.579 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.315 -5.107 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.399 -8.708 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.053 -8.584 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.302 -8.428 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.924 -6.273 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.663 -6.231 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.732 -7.727 -0.971 1.00 0.00 H new ATOM 616 N ASN A 37 15.430 -6.365 3.885 1.00 0.00 N ATOM 617 CA ASN A 37 16.338 -6.994 4.885 1.00 0.00 C ATOM 618 C ASN A 37 16.200 -6.313 6.258 1.00 0.00 C ATOM 619 O ASN A 37 16.560 -6.874 7.273 1.00 0.00 O ATOM 620 CB ASN A 37 17.781 -6.863 4.398 1.00 0.00 C ATOM 621 CG ASN A 37 17.958 -7.673 3.111 1.00 0.00 C ATOM 622 OD1 ASN A 37 19.063 -7.871 2.651 1.00 0.00 O ATOM 623 ND2 ASN A 37 16.904 -8.153 2.508 1.00 0.00 N ATOM 0 H ASN A 37 15.879 -5.708 3.247 1.00 0.00 H new ATOM 0 HA ASN A 37 16.067 -8.044 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.022 -5.815 4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.469 -7.221 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.010 -8.695 1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.975 -7.986 2.895 1.00 0.00 H new ATOM 630 N ASN A 38 15.736 -5.089 6.297 1.00 0.00 N ATOM 631 CA ASN A 38 15.638 -4.360 7.608 1.00 0.00 C ATOM 632 C ASN A 38 14.241 -4.467 8.247 1.00 0.00 C ATOM 633 O ASN A 38 14.101 -4.244 9.433 1.00 0.00 O ATOM 634 CB ASN A 38 15.975 -2.883 7.375 1.00 0.00 C ATOM 635 CG ASN A 38 17.486 -2.723 7.190 1.00 0.00 C ATOM 636 OD1 ASN A 38 17.982 -1.619 7.066 1.00 0.00 O ATOM 637 ND2 ASN A 38 18.245 -3.785 7.167 1.00 0.00 N ATOM 0 H ASN A 38 15.421 -4.561 5.483 1.00 0.00 H new ATOM 0 HA ASN A 38 16.343 -4.824 8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.450 -2.515 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.637 -2.285 8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.253 -3.689 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.830 -4.711 7.271 1.00 0.00 H new ATOM 644 N GLU A 39 13.212 -4.781 7.498 1.00 0.00 N ATOM 645 CA GLU A 39 11.835 -4.870 8.107 1.00 0.00 C ATOM 646 C GLU A 39 11.165 -6.188 7.718 1.00 0.00 C ATOM 647 O GLU A 39 10.712 -6.935 8.563 1.00 0.00 O ATOM 648 CB GLU A 39 10.988 -3.702 7.605 1.00 0.00 C ATOM 649 CG GLU A 39 11.512 -2.396 8.209 1.00 0.00 C ATOM 650 CD GLU A 39 11.184 -2.353 9.702 1.00 0.00 C ATOM 651 OE1 GLU A 39 11.981 -2.853 10.480 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.142 -1.818 10.045 1.00 0.00 O ATOM 0 H GLU A 39 13.258 -4.979 6.499 1.00 0.00 H new ATOM 0 HA GLU A 39 11.923 -4.828 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.025 -3.653 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.944 -3.850 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.589 -2.322 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.061 -1.543 7.703 1.00 0.00 H new ATOM 659 N LEU A 40 11.099 -6.488 6.452 1.00 0.00 N ATOM 660 CA LEU A 40 10.458 -7.764 6.026 1.00 0.00 C ATOM 661 C LEU A 40 11.503 -8.877 6.078 1.00 0.00 C ATOM 662 O LEU A 40 11.450 -9.825 5.324 1.00 0.00 O ATOM 663 CB LEU A 40 9.897 -7.628 4.600 1.00 0.00 C ATOM 664 CG LEU A 40 8.795 -6.544 4.521 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.603 -6.938 5.406 1.00 0.00 C ATOM 666 CD2 LEU A 40 9.330 -5.165 4.951 1.00 0.00 C ATOM 0 H LEU A 40 11.460 -5.907 5.695 1.00 0.00 H new ATOM 0 HA LEU A 40 9.631 -8.002 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.705 -7.377 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.490 -8.586 4.276 1.00 0.00 H new ATOM 0 HG LEU A 40 8.471 -6.473 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.833 -6.169 5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.194 -7.889 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.934 -7.036 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.530 -4.427 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.689 -5.218 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.150 -4.872 4.295 1.00 0.00 H new ATOM 678 N SER A 41 12.449 -8.786 6.985 1.00 0.00 N ATOM 679 CA SER A 41 13.476 -9.859 7.098 1.00 0.00 C ATOM 680 C SER A 41 12.905 -10.997 7.946 1.00 0.00 C ATOM 681 O SER A 41 13.371 -12.118 7.894 1.00 0.00 O ATOM 682 CB SER A 41 14.731 -9.295 7.776 1.00 0.00 C ATOM 683 OG SER A 41 14.347 -8.326 8.743 1.00 0.00 O ATOM 0 H SER A 41 12.550 -8.016 7.647 1.00 0.00 H new ATOM 0 HA SER A 41 13.739 -10.229 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.293 -10.098 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.388 -8.843 7.033 1.00 0.00 H new ATOM 0 HG SER A 41 14.898 -7.522 8.637 1.00 0.00 H new ATOM 689 N HIS A 42 11.888 -10.717 8.718 1.00 0.00 N ATOM 690 CA HIS A 42 11.273 -11.779 9.560 1.00 0.00 C ATOM 691 C HIS A 42 10.240 -12.521 8.717 1.00 0.00 C ATOM 692 O HIS A 42 9.886 -13.649 8.994 1.00 0.00 O ATOM 693 CB HIS A 42 10.588 -11.140 10.770 1.00 0.00 C ATOM 694 CG HIS A 42 9.943 -12.211 11.605 1.00 0.00 C ATOM 695 ND1 HIS A 42 10.679 -13.049 12.430 1.00 0.00 N ATOM 696 CD2 HIS A 42 8.633 -12.596 11.750 1.00 0.00 C ATOM 697 CE1 HIS A 42 9.815 -13.888 13.030 1.00 0.00 C ATOM 698 NE2 HIS A 42 8.559 -13.653 12.648 1.00 0.00 N ATOM 0 H HIS A 42 11.458 -9.796 8.800 1.00 0.00 H new ATOM 0 HA HIS A 42 12.037 -12.472 9.912 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.317 -10.590 11.365 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.838 -10.421 10.439 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.791 -12.147 11.244 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.103 -14.656 13.733 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.720 -14.146 12.952 1.00 0.00 H new ATOM 707 N PHE A 43 9.763 -11.883 7.677 1.00 0.00 N ATOM 708 CA PHE A 43 8.757 -12.521 6.778 1.00 0.00 C ATOM 709 C PHE A 43 9.441 -12.886 5.461 1.00 0.00 C ATOM 710 O PHE A 43 9.330 -14.000 4.988 1.00 0.00 O ATOM 711 CB PHE A 43 7.609 -11.532 6.517 1.00 0.00 C ATOM 712 CG PHE A 43 6.624 -11.583 7.667 1.00 0.00 C ATOM 713 CD1 PHE A 43 5.875 -12.745 7.887 1.00 0.00 C ATOM 714 CD2 PHE A 43 6.464 -10.476 8.513 1.00 0.00 C ATOM 715 CE1 PHE A 43 4.967 -12.803 8.951 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.555 -10.535 9.576 1.00 0.00 C ATOM 717 CZ PHE A 43 4.806 -11.698 9.795 1.00 0.00 C ATOM 0 H PHE A 43 10.032 -10.936 7.411 1.00 0.00 H new ATOM 0 HA PHE A 43 8.352 -13.420 7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.003 -10.522 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.106 -11.781 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.998 -13.597 7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.041 -9.579 8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.391 -13.700 9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.431 -9.683 10.228 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.104 -11.742 10.615 1.00 0.00 H new ATOM 727 N LEU A 44 10.156 -11.959 4.862 1.00 0.00 N ATOM 728 CA LEU A 44 10.857 -12.260 3.572 1.00 0.00 C ATOM 729 C LEU A 44 12.343 -12.522 3.849 1.00 0.00 C ATOM 730 O LEU A 44 13.002 -11.764 4.528 1.00 0.00 O ATOM 731 CB LEU A 44 10.706 -11.075 2.597 1.00 0.00 C ATOM 732 CG LEU A 44 9.420 -11.227 1.767 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.211 -11.388 2.694 1.00 0.00 C ATOM 734 CD2 LEU A 44 9.229 -9.983 0.892 1.00 0.00 C ATOM 0 H LEU A 44 10.283 -11.009 5.211 1.00 0.00 H new ATOM 0 HA LEU A 44 10.410 -13.145 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.679 -10.138 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.571 -11.027 1.935 1.00 0.00 H new ATOM 0 HG LEU A 44 9.505 -12.112 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.306 -11.495 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.343 -12.275 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.122 -10.509 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.318 -10.089 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.150 -9.100 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.083 -9.874 0.223 1.00 0.00 H new ATOM 746 N GLU A 45 12.872 -13.592 3.320 1.00 0.00 N ATOM 747 CA GLU A 45 14.311 -13.906 3.547 1.00 0.00 C ATOM 748 C GLU A 45 15.169 -12.722 3.096 1.00 0.00 C ATOM 749 O GLU A 45 14.849 -12.040 2.143 1.00 0.00 O ATOM 750 CB GLU A 45 14.696 -15.148 2.739 1.00 0.00 C ATOM 751 CG GLU A 45 16.141 -15.539 3.054 1.00 0.00 C ATOM 752 CD GLU A 45 16.448 -16.905 2.438 1.00 0.00 C ATOM 753 OE1 GLU A 45 15.558 -17.467 1.819 1.00 0.00 O ATOM 754 OE2 GLU A 45 17.565 -17.367 2.595 1.00 0.00 O ATOM 0 H GLU A 45 12.369 -14.263 2.740 1.00 0.00 H new ATOM 0 HA GLU A 45 14.478 -14.094 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.025 -15.973 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.587 -14.949 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.826 -14.788 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.292 -15.573 4.133 1.00 0.00 H new ATOM 761 N GLU A 46 16.257 -12.474 3.771 1.00 0.00 N ATOM 762 CA GLU A 46 17.133 -11.336 3.378 1.00 0.00 C ATOM 763 C GLU A 46 17.678 -11.572 1.970 1.00 0.00 C ATOM 764 O GLU A 46 18.544 -12.400 1.768 1.00 0.00 O ATOM 765 CB GLU A 46 18.313 -11.239 4.348 1.00 0.00 C ATOM 766 CG GLU A 46 17.802 -10.957 5.761 1.00 0.00 C ATOM 767 CD GLU A 46 17.187 -12.229 6.354 1.00 0.00 C ATOM 768 OE1 GLU A 46 17.366 -13.283 5.767 1.00 0.00 O ATOM 769 OE2 GLU A 46 16.545 -12.124 7.386 1.00 0.00 O ATOM 0 H GLU A 46 16.577 -13.010 4.578 1.00 0.00 H new ATOM 0 HA GLU A 46 16.552 -10.414 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.882 -12.169 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.991 -10.446 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.621 -10.610 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.059 -10.160 5.737 1.00 0.00 H new ATOM 776 N ILE A 47 17.197 -10.852 0.994 1.00 0.00 N ATOM 777 CA ILE A 47 17.725 -11.059 -0.380 1.00 0.00 C ATOM 778 C ILE A 47 19.179 -10.583 -0.421 1.00 0.00 C ATOM 779 O ILE A 47 19.486 -9.464 -0.058 1.00 0.00 O ATOM 780 CB ILE A 47 16.878 -10.281 -1.408 1.00 0.00 C ATOM 781 CG1 ILE A 47 17.210 -8.777 -1.361 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.392 -10.484 -1.103 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.175 -7.971 -2.160 1.00 0.00 C ATOM 0 H ILE A 47 16.472 -10.140 1.087 1.00 0.00 H new ATOM 0 HA ILE A 47 17.674 -12.117 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 47 17.108 -10.658 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.226 -8.435 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.206 -8.606 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.793 -9.934 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.150 -11.545 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.173 -10.117 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.426 -6.911 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.179 -8.302 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.184 -8.128 -1.734 1.00 0.00 H new ATOM 795 N LYS A 48 20.078 -11.424 -0.858 1.00 0.00 N ATOM 796 CA LYS A 48 21.516 -11.026 -0.929 1.00 0.00 C ATOM 797 C LYS A 48 21.842 -10.657 -2.375 1.00 0.00 C ATOM 798 O LYS A 48 22.864 -10.068 -2.666 1.00 0.00 O ATOM 799 CB LYS A 48 22.389 -12.202 -0.485 1.00 0.00 C ATOM 800 CG LYS A 48 22.251 -12.401 1.028 1.00 0.00 C ATOM 801 CD LYS A 48 23.096 -13.603 1.461 1.00 0.00 C ATOM 802 CE LYS A 48 22.877 -13.875 2.950 1.00 0.00 C ATOM 803 NZ LYS A 48 21.434 -14.153 3.198 1.00 0.00 N ATOM 0 H LYS A 48 19.878 -12.374 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 48 21.708 -10.175 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.090 -13.109 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.431 -12.013 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.577 -11.504 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.206 -12.563 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.823 -14.482 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.151 -13.407 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.482 -14.724 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.199 -13.016 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.332 -14.702 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.918 -13.255 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.043 -14.697 2.402 1.00 0.00 H new ATOM 817 N GLU A 49 20.962 -11.002 -3.281 1.00 0.00 N ATOM 818 CA GLU A 49 21.169 -10.688 -4.729 1.00 0.00 C ATOM 819 C GLU A 49 20.030 -9.789 -5.206 1.00 0.00 C ATOM 820 O GLU A 49 18.871 -10.148 -5.136 1.00 0.00 O ATOM 821 CB GLU A 49 21.163 -11.988 -5.537 1.00 0.00 C ATOM 822 CG GLU A 49 22.293 -12.898 -5.052 1.00 0.00 C ATOM 823 CD GLU A 49 22.470 -14.058 -6.035 1.00 0.00 C ATOM 824 OE1 GLU A 49 21.579 -14.267 -6.840 1.00 0.00 O ATOM 825 OE2 GLU A 49 23.495 -14.716 -5.964 1.00 0.00 O ATOM 0 H GLU A 49 20.094 -11.496 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 49 22.124 -10.182 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.203 -12.493 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.288 -11.770 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.221 -12.332 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.065 -13.281 -4.058 1.00 0.00 H new ATOM 832 N GLN A 50 20.346 -8.618 -5.682 1.00 0.00 N ATOM 833 CA GLN A 50 19.279 -7.693 -6.154 1.00 0.00 C ATOM 834 C GLN A 50 18.482 -8.350 -7.284 1.00 0.00 C ATOM 835 O GLN A 50 17.384 -7.943 -7.595 1.00 0.00 O ATOM 836 CB GLN A 50 19.920 -6.400 -6.665 1.00 0.00 C ATOM 837 CG GLN A 50 21.081 -6.736 -7.604 1.00 0.00 C ATOM 838 CD GLN A 50 21.663 -5.444 -8.179 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.077 -4.837 -9.054 1.00 0.00 O ATOM 840 NE2 GLN A 50 22.800 -4.994 -7.721 1.00 0.00 N ATOM 0 H GLN A 50 21.298 -8.261 -5.765 1.00 0.00 H new ATOM 0 HA GLN A 50 18.606 -7.468 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.178 -5.798 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.279 -5.804 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.852 -7.286 -7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.735 -7.382 -8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 50 23.292 -5.504 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.197 -4.133 -8.097 1.00 0.00 H new ATOM 849 N GLU A 51 19.035 -9.347 -7.921 1.00 0.00 N ATOM 850 CA GLU A 51 18.327 -10.012 -9.050 1.00 0.00 C ATOM 851 C GLU A 51 16.847 -10.199 -8.746 1.00 0.00 C ATOM 852 O GLU A 51 16.004 -9.973 -9.590 1.00 0.00 O ATOM 853 CB GLU A 51 18.967 -11.374 -9.327 1.00 0.00 C ATOM 854 CG GLU A 51 20.431 -11.182 -9.727 1.00 0.00 C ATOM 855 CD GLU A 51 20.981 -12.492 -10.293 1.00 0.00 C ATOM 856 OE1 GLU A 51 20.460 -13.536 -9.933 1.00 0.00 O ATOM 857 OE2 GLU A 51 21.913 -12.430 -11.077 1.00 0.00 O ATOM 0 H GLU A 51 19.955 -9.731 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 51 18.416 -9.372 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.902 -12.005 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.426 -11.886 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.515 -10.389 -10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.018 -10.872 -8.862 1.00 0.00 H new ATOM 864 N VAL A 52 16.507 -10.592 -7.557 1.00 0.00 N ATOM 865 CA VAL A 52 15.066 -10.759 -7.246 1.00 0.00 C ATOM 866 C VAL A 52 14.463 -9.379 -7.059 1.00 0.00 C ATOM 867 O VAL A 52 13.338 -9.127 -7.440 1.00 0.00 O ATOM 868 CB VAL A 52 14.894 -11.615 -5.981 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.874 -11.145 -4.905 1.00 0.00 C ATOM 870 CG2 VAL A 52 13.457 -11.496 -5.457 1.00 0.00 C ATOM 0 H VAL A 52 17.153 -10.803 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 52 14.555 -11.273 -8.060 1.00 0.00 H new ATOM 0 HB VAL A 52 15.098 -12.657 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.750 -11.753 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 52 16.895 -11.246 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.677 -10.100 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.345 -12.106 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.242 -10.455 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.761 -11.843 -6.221 1.00 0.00 H new ATOM 880 N VAL A 53 15.202 -8.474 -6.494 1.00 0.00 N ATOM 881 CA VAL A 53 14.654 -7.111 -6.316 1.00 0.00 C ATOM 882 C VAL A 53 14.473 -6.525 -7.714 1.00 0.00 C ATOM 883 O VAL A 53 13.659 -5.653 -7.943 1.00 0.00 O ATOM 884 CB VAL A 53 15.604 -6.265 -5.414 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.446 -5.268 -6.228 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.784 -5.475 -4.387 1.00 0.00 C ATOM 0 H VAL A 53 16.152 -8.617 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 53 13.692 -7.117 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 53 16.277 -6.966 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.091 -4.703 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.059 -5.811 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.786 -4.582 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.455 -4.887 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.095 -4.809 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.219 -6.167 -3.763 1.00 0.00 H new ATOM 896 N ASP A 54 15.221 -7.037 -8.654 1.00 0.00 N ATOM 897 CA ASP A 54 15.093 -6.554 -10.053 1.00 0.00 C ATOM 898 C ASP A 54 13.854 -7.203 -10.661 1.00 0.00 C ATOM 899 O ASP A 54 13.136 -6.600 -11.434 1.00 0.00 O ATOM 900 CB ASP A 54 16.334 -6.955 -10.855 1.00 0.00 C ATOM 901 CG ASP A 54 16.185 -6.474 -12.300 1.00 0.00 C ATOM 902 OD1 ASP A 54 15.162 -6.765 -12.898 1.00 0.00 O ATOM 903 OD2 ASP A 54 17.098 -5.825 -12.785 1.00 0.00 O ATOM 0 H ASP A 54 15.915 -7.770 -8.510 1.00 0.00 H new ATOM 0 HA ASP A 54 15.003 -5.468 -10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.227 -6.520 -10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.461 -8.037 -10.832 1.00 0.00 H new ATOM 908 N LYS A 55 13.592 -8.432 -10.301 1.00 0.00 N ATOM 909 CA LYS A 55 12.388 -9.124 -10.843 1.00 0.00 C ATOM 910 C LYS A 55 11.137 -8.571 -10.157 1.00 0.00 C ATOM 911 O LYS A 55 10.209 -8.130 -10.802 1.00 0.00 O ATOM 912 CB LYS A 55 12.494 -10.636 -10.588 1.00 0.00 C ATOM 913 CG LYS A 55 11.177 -11.351 -10.996 1.00 0.00 C ATOM 914 CD LYS A 55 10.317 -11.653 -9.752 1.00 0.00 C ATOM 915 CE LYS A 55 8.849 -11.824 -10.157 1.00 0.00 C ATOM 916 NZ LYS A 55 8.724 -12.957 -11.116 1.00 0.00 N ATOM 0 H LYS A 55 14.158 -8.984 -9.657 1.00 0.00 H new ATOM 0 HA LYS A 55 12.323 -8.950 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.329 -11.048 -11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.702 -10.819 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.616 -10.724 -11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.407 -12.279 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.676 -12.559 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.411 -10.842 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.237 -12.012 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.478 -10.906 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.725 -13.237 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.075 -12.662 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.284 -13.764 -10.775 1.00 0.00 H new ATOM 930 N VAL A 56 11.106 -8.576 -8.851 1.00 0.00 N ATOM 931 CA VAL A 56 9.910 -8.033 -8.152 1.00 0.00 C ATOM 932 C VAL A 56 9.678 -6.615 -8.671 1.00 0.00 C ATOM 933 O VAL A 56 8.562 -6.189 -8.892 1.00 0.00 O ATOM 934 CB VAL A 56 10.131 -8.034 -6.628 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.998 -6.839 -6.205 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.775 -7.955 -5.917 1.00 0.00 C ATOM 0 H VAL A 56 11.848 -8.928 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 56 9.035 -8.652 -8.350 1.00 0.00 H new ATOM 0 HB VAL A 56 10.645 -8.954 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.142 -6.858 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.967 -6.898 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.501 -5.911 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.929 -7.956 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.263 -7.038 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.167 -8.815 -6.197 1.00 0.00 H new ATOM 946 N MET A 57 10.744 -5.897 -8.887 1.00 0.00 N ATOM 947 CA MET A 57 10.621 -4.517 -9.417 1.00 0.00 C ATOM 948 C MET A 57 9.945 -4.580 -10.786 1.00 0.00 C ATOM 949 O MET A 57 9.324 -3.636 -11.230 1.00 0.00 O ATOM 950 CB MET A 57 12.023 -3.910 -9.545 1.00 0.00 C ATOM 951 CG MET A 57 11.955 -2.585 -10.308 1.00 0.00 C ATOM 952 SD MET A 57 13.487 -1.654 -10.037 1.00 0.00 S ATOM 953 CE MET A 57 13.123 -1.028 -8.374 1.00 0.00 C ATOM 0 H MET A 57 11.699 -6.211 -8.717 1.00 0.00 H new ATOM 0 HA MET A 57 10.024 -3.898 -8.748 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.449 -3.747 -8.555 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.682 -4.605 -10.065 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.814 -2.773 -11.372 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.098 -2.002 -9.971 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.814 -0.221 -8.130 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.100 -0.652 -8.343 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.236 -1.834 -7.649 1.00 0.00 H new ATOM 963 N GLU A 58 10.048 -5.698 -11.451 1.00 0.00 N ATOM 964 CA GLU A 58 9.399 -5.838 -12.785 1.00 0.00 C ATOM 965 C GLU A 58 7.898 -5.988 -12.584 1.00 0.00 C ATOM 966 O GLU A 58 7.096 -5.484 -13.346 1.00 0.00 O ATOM 967 CB GLU A 58 9.938 -7.088 -13.486 1.00 0.00 C ATOM 968 CG GLU A 58 9.542 -7.067 -14.962 1.00 0.00 C ATOM 969 CD GLU A 58 8.047 -7.361 -15.098 1.00 0.00 C ATOM 970 OE1 GLU A 58 7.577 -8.267 -14.428 1.00 0.00 O ATOM 971 OE2 GLU A 58 7.397 -6.677 -15.871 1.00 0.00 O ATOM 0 H GLU A 58 10.555 -6.522 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 58 9.612 -4.960 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.023 -7.129 -13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.542 -7.984 -13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.772 -6.094 -15.397 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.120 -7.808 -15.514 1.00 0.00 H new ATOM 978 N THR A 59 7.518 -6.688 -11.560 1.00 0.00 N ATOM 979 CA THR A 59 6.072 -6.891 -11.292 1.00 0.00 C ATOM 980 C THR A 59 5.482 -5.626 -10.677 1.00 0.00 C ATOM 981 O THR A 59 4.323 -5.316 -10.868 1.00 0.00 O ATOM 982 CB THR A 59 5.886 -8.054 -10.316 1.00 0.00 C ATOM 983 OG1 THR A 59 6.422 -9.240 -10.885 1.00 0.00 O ATOM 984 CG2 THR A 59 4.395 -8.244 -10.040 1.00 0.00 C ATOM 0 H THR A 59 8.149 -7.131 -10.892 1.00 0.00 H new ATOM 0 HA THR A 59 5.564 -7.115 -12.230 1.00 0.00 H new ATOM 0 HB THR A 59 6.405 -7.837 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.305 -9.985 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.256 -9.072 -9.345 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.986 -7.332 -9.605 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.877 -8.464 -10.974 1.00 0.00 H new ATOM 992 N LEU A 60 6.262 -4.896 -9.924 1.00 0.00 N ATOM 993 CA LEU A 60 5.721 -3.654 -9.285 1.00 0.00 C ATOM 994 C LEU A 60 5.935 -2.445 -10.199 1.00 0.00 C ATOM 995 O LEU A 60 5.035 -1.654 -10.396 1.00 0.00 O ATOM 996 CB LEU A 60 6.424 -3.418 -7.938 1.00 0.00 C ATOM 997 CG LEU A 60 5.693 -4.174 -6.817 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.277 -3.586 -6.590 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.592 -5.661 -7.189 1.00 0.00 C ATOM 0 H LEU A 60 7.241 -5.101 -9.723 1.00 0.00 H new ATOM 0 HA LEU A 60 4.651 -3.781 -9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.460 -3.753 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.446 -2.352 -7.713 1.00 0.00 H new ATOM 0 HG LEU A 60 6.258 -4.065 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.778 -4.136 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.360 -2.536 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.696 -3.672 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.074 -6.200 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.037 -5.766 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.593 -6.074 -7.314 1.00 0.00 H new ATOM 1011 N ASP A 61 7.097 -2.281 -10.768 1.00 0.00 N ATOM 1012 CA ASP A 61 7.319 -1.113 -11.666 1.00 0.00 C ATOM 1013 C ASP A 61 6.280 -1.120 -12.775 1.00 0.00 C ATOM 1014 O ASP A 61 6.392 -1.822 -13.761 1.00 0.00 O ATOM 1015 CB ASP A 61 8.725 -1.201 -12.246 1.00 0.00 C ATOM 1016 CG ASP A 61 9.039 0.069 -13.033 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.193 0.948 -13.066 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.120 0.139 -13.590 1.00 0.00 O ATOM 0 H ASP A 61 7.898 -2.901 -10.651 1.00 0.00 H new ATOM 0 HA ASP A 61 7.220 -0.182 -11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.452 -1.332 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.807 -2.072 -12.896 1.00 0.00 H new ATOM 1023 N GLU A 62 5.260 -0.331 -12.601 1.00 0.00 N ATOM 1024 CA GLU A 62 4.174 -0.254 -13.616 1.00 0.00 C ATOM 1025 C GLU A 62 4.516 0.838 -14.617 1.00 0.00 C ATOM 1026 O GLU A 62 4.279 0.708 -15.801 1.00 0.00 O ATOM 1027 CB GLU A 62 2.846 0.075 -12.923 1.00 0.00 C ATOM 1028 CG GLU A 62 2.282 -1.186 -12.265 1.00 0.00 C ATOM 1029 CD GLU A 62 1.703 -2.109 -13.340 1.00 0.00 C ATOM 1030 OE1 GLU A 62 0.918 -1.632 -14.143 1.00 0.00 O ATOM 1031 OE2 GLU A 62 2.055 -3.278 -13.342 1.00 0.00 O ATOM 0 H GLU A 62 5.130 0.272 -11.789 1.00 0.00 H new ATOM 0 HA GLU A 62 4.078 -1.210 -14.132 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.998 0.851 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.134 0.468 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.067 -1.702 -11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.508 -0.918 -11.546 1.00 0.00 H new ATOM 1038 N ASP A 63 5.088 1.909 -14.152 1.00 0.00 N ATOM 1039 CA ASP A 63 5.464 3.000 -15.080 1.00 0.00 C ATOM 1040 C ASP A 63 6.780 2.623 -15.750 1.00 0.00 C ATOM 1041 O ASP A 63 7.265 3.317 -16.623 1.00 0.00 O ATOM 1042 CB ASP A 63 5.636 4.306 -14.301 1.00 0.00 C ATOM 1043 CG ASP A 63 6.650 4.101 -13.175 1.00 0.00 C ATOM 1044 OD1 ASP A 63 6.955 2.958 -12.881 1.00 0.00 O ATOM 1045 OD2 ASP A 63 7.103 5.091 -12.626 1.00 0.00 O ATOM 0 H ASP A 63 5.310 2.074 -13.170 1.00 0.00 H new ATOM 0 HA ASP A 63 4.686 3.141 -15.830 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.974 5.098 -14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.679 4.624 -13.889 1.00 0.00 H new ATOM 1050 N GLY A 64 7.373 1.525 -15.348 1.00 0.00 N ATOM 1051 CA GLY A 64 8.662 1.124 -15.977 1.00 0.00 C ATOM 1052 C GLY A 64 9.714 2.166 -15.616 1.00 0.00 C ATOM 1053 O GLY A 64 10.456 2.631 -16.459 1.00 0.00 O ATOM 0 H GLY A 64 7.024 0.900 -14.622 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.967 0.139 -15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.551 1.055 -17.059 1.00 0.00 H new ATOM 1057 N ASP A 65 9.769 2.555 -14.366 1.00 0.00 N ATOM 1058 CA ASP A 65 10.759 3.592 -13.944 1.00 0.00 C ATOM 1059 C ASP A 65 11.969 2.923 -13.298 1.00 0.00 C ATOM 1060 O ASP A 65 12.941 3.572 -12.965 1.00 0.00 O ATOM 1061 CB ASP A 65 10.100 4.526 -12.926 1.00 0.00 C ATOM 1062 CG ASP A 65 9.430 3.692 -11.832 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.624 2.486 -11.831 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.734 4.271 -11.015 1.00 0.00 O ATOM 0 H ASP A 65 9.171 2.199 -13.620 1.00 0.00 H new ATOM 0 HA ASP A 65 11.084 4.158 -14.817 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.846 5.189 -12.488 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.362 5.158 -13.420 1.00 0.00 H new ATOM 1069 N GLY A 66 11.920 1.636 -13.104 1.00 0.00 N ATOM 1070 CA GLY A 66 13.077 0.952 -12.463 1.00 0.00 C ATOM 1071 C GLY A 66 13.136 1.390 -11.006 1.00 0.00 C ATOM 1072 O GLY A 66 13.990 0.980 -10.246 1.00 0.00 O ATOM 0 H GLY A 66 11.138 1.033 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.965 -0.130 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.004 1.210 -12.976 1.00 0.00 H new ATOM 1076 N GLU A 67 12.208 2.222 -10.621 1.00 0.00 N ATOM 1077 CA GLU A 67 12.141 2.715 -9.218 1.00 0.00 C ATOM 1078 C GLU A 67 10.720 2.476 -8.722 1.00 0.00 C ATOM 1079 O GLU A 67 9.863 2.061 -9.477 1.00 0.00 O ATOM 1080 CB GLU A 67 12.461 4.211 -9.181 1.00 0.00 C ATOM 1081 CG GLU A 67 13.945 4.419 -9.492 1.00 0.00 C ATOM 1082 CD GLU A 67 14.253 5.916 -9.548 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.314 6.695 -9.536 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.423 6.259 -9.602 1.00 0.00 O ATOM 0 H GLU A 67 11.479 2.588 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 67 12.862 2.195 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.847 4.744 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.222 4.621 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.558 3.940 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.197 3.950 -10.443 1.00 0.00 H new ATOM 1091 N CYS A 68 10.457 2.715 -7.465 1.00 0.00 N ATOM 1092 CA CYS A 68 9.078 2.481 -6.921 1.00 0.00 C ATOM 1093 C CYS A 68 8.569 3.742 -6.212 1.00 0.00 C ATOM 1094 O CYS A 68 8.848 3.964 -5.049 1.00 0.00 O ATOM 1095 CB CYS A 68 9.126 1.305 -5.932 1.00 0.00 C ATOM 1096 SG CYS A 68 8.877 -0.248 -6.831 1.00 0.00 S ATOM 0 H CYS A 68 11.135 3.063 -6.787 1.00 0.00 H new ATOM 0 HA CYS A 68 8.397 2.246 -7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.086 1.289 -5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.356 1.425 -5.170 1.00 0.00 H new ATOM 0 HG CYS A 68 8.129 -0.032 -7.872 1.00 0.00 H new ATOM 1102 N ASP A 69 7.837 4.572 -6.918 1.00 0.00 N ATOM 1103 CA ASP A 69 7.303 5.822 -6.301 1.00 0.00 C ATOM 1104 C ASP A 69 6.598 5.476 -4.987 1.00 0.00 C ATOM 1105 O ASP A 69 6.665 4.363 -4.517 1.00 0.00 O ATOM 1106 CB ASP A 69 6.310 6.484 -7.261 1.00 0.00 C ATOM 1107 CG ASP A 69 5.377 5.419 -7.842 1.00 0.00 C ATOM 1108 OD1 ASP A 69 5.785 4.750 -8.776 1.00 0.00 O ATOM 1109 OD2 ASP A 69 4.271 5.293 -7.343 1.00 0.00 O ATOM 0 H ASP A 69 7.588 4.434 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 69 8.124 6.511 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.731 7.243 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.846 6.991 -8.064 1.00 0.00 H new ATOM 1114 N PHE A 70 5.923 6.411 -4.383 1.00 0.00 N ATOM 1115 CA PHE A 70 5.233 6.128 -3.089 1.00 0.00 C ATOM 1116 C PHE A 70 3.901 5.378 -3.311 1.00 0.00 C ATOM 1117 O PHE A 70 3.462 4.623 -2.467 1.00 0.00 O ATOM 1118 CB PHE A 70 4.974 7.466 -2.352 1.00 0.00 C ATOM 1119 CG PHE A 70 5.016 8.622 -3.332 1.00 0.00 C ATOM 1120 CD1 PHE A 70 6.249 9.088 -3.805 1.00 0.00 C ATOM 1121 CD2 PHE A 70 3.828 9.227 -3.765 1.00 0.00 C ATOM 1122 CE1 PHE A 70 6.296 10.156 -4.710 1.00 0.00 C ATOM 1123 CE2 PHE A 70 3.876 10.294 -4.670 1.00 0.00 C ATOM 1124 CZ PHE A 70 5.109 10.758 -5.144 1.00 0.00 C ATOM 0 H PHE A 70 5.817 7.365 -4.729 1.00 0.00 H new ATOM 0 HA PHE A 70 5.875 5.486 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.003 7.435 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.724 7.612 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.165 8.623 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.876 8.870 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 70 7.248 10.515 -5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.960 10.760 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.144 11.580 -5.844 1.00 0.00 H new ATOM 1134 N GLN A 71 3.246 5.602 -4.416 1.00 0.00 N ATOM 1135 CA GLN A 71 1.938 4.933 -4.669 1.00 0.00 C ATOM 1136 C GLN A 71 2.163 3.469 -5.051 1.00 0.00 C ATOM 1137 O GLN A 71 1.415 2.583 -4.668 1.00 0.00 O ATOM 1138 CB GLN A 71 1.216 5.665 -5.811 1.00 0.00 C ATOM 1139 CG GLN A 71 -0.060 4.914 -6.178 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.918 5.786 -7.095 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -1.137 6.949 -6.817 1.00 0.00 O ATOM 1142 NE2 GLN A 71 -1.413 5.274 -8.188 1.00 0.00 N ATOM 0 H GLN A 71 3.562 6.224 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 71 1.329 4.968 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.975 6.684 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.870 5.737 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.187 3.977 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.616 4.658 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.230 4.298 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.983 5.849 -8.808 1.00 0.00 H new ATOM 1151 N GLU A 72 3.206 3.197 -5.780 1.00 0.00 N ATOM 1152 CA GLU A 72 3.498 1.795 -6.177 1.00 0.00 C ATOM 1153 C GLU A 72 4.292 1.133 -5.054 1.00 0.00 C ATOM 1154 O GLU A 72 4.106 -0.026 -4.747 1.00 0.00 O ATOM 1155 CB GLU A 72 4.288 1.831 -7.500 1.00 0.00 C ATOM 1156 CG GLU A 72 5.090 0.539 -7.740 1.00 0.00 C ATOM 1157 CD GLU A 72 5.853 0.672 -9.056 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.214 0.679 -10.094 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.067 0.774 -9.001 1.00 0.00 O ATOM 0 H GLU A 72 3.873 3.890 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 72 2.588 1.215 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.597 1.986 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.969 2.682 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.784 0.367 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.420 -0.320 -7.777 1.00 0.00 H new ATOM 1166 N PHE A 73 5.168 1.862 -4.431 1.00 0.00 N ATOM 1167 CA PHE A 73 5.960 1.275 -3.320 1.00 0.00 C ATOM 1168 C PHE A 73 5.001 0.650 -2.313 1.00 0.00 C ATOM 1169 O PHE A 73 5.172 -0.471 -1.888 1.00 0.00 O ATOM 1170 CB PHE A 73 6.779 2.383 -2.657 1.00 0.00 C ATOM 1171 CG PHE A 73 7.284 1.982 -1.286 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.594 0.646 -0.979 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.467 2.977 -0.320 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.079 0.318 0.293 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.954 2.647 0.944 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.259 1.321 1.252 1.00 0.00 C ATOM 0 H PHE A 73 5.371 2.839 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 73 6.637 0.507 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.626 2.636 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.167 3.281 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.458 -0.126 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.230 4.004 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.314 -0.708 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.095 3.419 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.635 1.068 2.232 1.00 0.00 H new ATOM 1186 N MET A 74 3.966 1.342 -1.941 1.00 0.00 N ATOM 1187 CA MET A 74 3.016 0.722 -0.986 1.00 0.00 C ATOM 1188 C MET A 74 2.557 -0.585 -1.618 1.00 0.00 C ATOM 1189 O MET A 74 2.472 -1.614 -0.978 1.00 0.00 O ATOM 1190 CB MET A 74 1.815 1.654 -0.757 1.00 0.00 C ATOM 1191 CG MET A 74 1.120 1.345 0.598 1.00 0.00 C ATOM 1192 SD MET A 74 1.464 2.671 1.791 1.00 0.00 S ATOM 1193 CE MET A 74 -0.088 2.570 2.726 1.00 0.00 C ATOM 0 H MET A 74 3.740 2.288 -2.248 1.00 0.00 H new ATOM 0 HA MET A 74 3.486 0.546 -0.018 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.148 2.692 -0.771 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.100 1.538 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.044 1.248 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.475 0.392 0.989 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.113 3.361 3.476 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.931 2.689 2.045 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.153 1.600 3.219 1.00 0.00 H new ATOM 1203 N ALA A 75 2.263 -0.533 -2.887 1.00 0.00 N ATOM 1204 CA ALA A 75 1.808 -1.773 -3.577 1.00 0.00 C ATOM 1205 C ALA A 75 2.818 -2.901 -3.322 1.00 0.00 C ATOM 1206 O ALA A 75 2.500 -4.065 -3.458 1.00 0.00 O ATOM 1207 CB ALA A 75 1.672 -1.500 -5.080 1.00 0.00 C ATOM 0 H ALA A 75 2.317 0.302 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 75 0.837 -2.079 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.339 -2.406 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.943 -0.706 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.637 -1.193 -5.483 1.00 0.00 H new ATOM 1213 N PHE A 76 4.028 -2.574 -2.944 1.00 0.00 N ATOM 1214 CA PHE A 76 5.019 -3.664 -2.679 1.00 0.00 C ATOM 1215 C PHE A 76 4.661 -4.346 -1.358 1.00 0.00 C ATOM 1216 O PHE A 76 4.458 -5.542 -1.311 1.00 0.00 O ATOM 1217 CB PHE A 76 6.459 -3.123 -2.621 1.00 0.00 C ATOM 1218 CG PHE A 76 7.392 -4.204 -2.101 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.436 -5.461 -2.723 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.200 -3.955 -0.981 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.282 -6.458 -2.228 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.049 -4.955 -0.492 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.088 -6.205 -1.117 1.00 0.00 C ATOM 0 H PHE A 76 4.369 -1.622 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 76 4.975 -4.381 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.777 -2.801 -3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.503 -2.248 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.816 -5.659 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.167 -2.991 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.312 -7.426 -2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.673 -4.761 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.743 -6.976 -0.739 1.00 0.00 H new ATOM 1233 N VAL A 77 4.555 -3.604 -0.289 1.00 0.00 N ATOM 1234 CA VAL A 77 4.184 -4.243 1.007 1.00 0.00 C ATOM 1235 C VAL A 77 2.875 -5.008 0.798 1.00 0.00 C ATOM 1236 O VAL A 77 2.597 -5.997 1.444 1.00 0.00 O ATOM 1237 CB VAL A 77 3.991 -3.169 2.082 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.397 -3.805 3.340 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.343 -2.547 2.430 1.00 0.00 C ATOM 0 H VAL A 77 4.707 -2.596 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 77 4.973 -4.921 1.334 1.00 0.00 H new ATOM 0 HB VAL A 77 3.317 -2.400 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.260 -3.040 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.434 -4.255 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.074 -4.574 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.206 -1.783 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.013 -3.320 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.775 -2.094 1.538 1.00 0.00 H new ATOM 1249 N SER A 78 2.079 -4.548 -0.115 1.00 0.00 N ATOM 1250 CA SER A 78 0.790 -5.221 -0.409 1.00 0.00 C ATOM 1251 C SER A 78 1.084 -6.583 -1.019 1.00 0.00 C ATOM 1252 O SER A 78 0.379 -7.546 -0.804 1.00 0.00 O ATOM 1253 CB SER A 78 0.012 -4.374 -1.409 1.00 0.00 C ATOM 1254 OG SER A 78 -1.352 -4.777 -1.414 1.00 0.00 O ATOM 0 H SER A 78 2.268 -3.720 -0.680 1.00 0.00 H new ATOM 0 HA SER A 78 0.205 -5.342 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.089 -3.319 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.439 -4.486 -2.406 1.00 0.00 H new ATOM 0 HG SER A 78 -1.850 -4.239 -2.065 1.00 0.00 H new ATOM 1260 N MET A 79 2.134 -6.659 -1.782 1.00 0.00 N ATOM 1261 CA MET A 79 2.513 -7.943 -2.430 1.00 0.00 C ATOM 1262 C MET A 79 3.148 -8.879 -1.403 1.00 0.00 C ATOM 1263 O MET A 79 2.972 -10.081 -1.456 1.00 0.00 O ATOM 1264 CB MET A 79 3.520 -7.652 -3.548 1.00 0.00 C ATOM 1265 CG MET A 79 3.831 -8.926 -4.349 1.00 0.00 C ATOM 1266 SD MET A 79 5.481 -8.768 -5.089 1.00 0.00 S ATOM 1267 CE MET A 79 5.033 -9.197 -6.788 1.00 0.00 C ATOM 0 H MET A 79 2.755 -5.876 -1.988 1.00 0.00 H new ATOM 0 HA MET A 79 1.624 -8.422 -2.841 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.120 -6.887 -4.214 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.440 -7.253 -3.120 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.792 -9.799 -3.698 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.082 -9.074 -5.127 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.886 -9.023 -7.444 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.748 -10.248 -6.835 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.195 -8.579 -7.110 1.00 0.00 H new ATOM 1277 N VAL A 80 3.871 -8.347 -0.458 1.00 0.00 N ATOM 1278 CA VAL A 80 4.494 -9.219 0.570 1.00 0.00 C ATOM 1279 C VAL A 80 3.438 -9.456 1.632 1.00 0.00 C ATOM 1280 O VAL A 80 3.376 -10.497 2.255 1.00 0.00 O ATOM 1281 CB VAL A 80 5.753 -8.549 1.182 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.454 -7.692 0.128 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.386 -7.662 2.384 1.00 0.00 C ATOM 0 H VAL A 80 4.056 -7.349 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 80 4.826 -10.160 0.131 1.00 0.00 H new ATOM 0 HB VAL A 80 6.418 -9.343 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.336 -7.226 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.754 -8.320 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.772 -6.918 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.290 -7.207 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.699 -6.879 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.909 -8.270 3.153 1.00 0.00 H new ATOM 1293 N THR A 81 2.592 -8.485 1.828 1.00 0.00 N ATOM 1294 CA THR A 81 1.524 -8.643 2.833 1.00 0.00 C ATOM 1295 C THR A 81 0.493 -9.604 2.274 1.00 0.00 C ATOM 1296 O THR A 81 -0.121 -10.362 2.998 1.00 0.00 O ATOM 1297 CB THR A 81 0.858 -7.292 3.107 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.797 -6.416 3.712 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.354 -7.478 4.035 1.00 0.00 C ATOM 0 H THR A 81 2.599 -7.593 1.333 1.00 0.00 H new ATOM 0 HA THR A 81 1.942 -9.024 3.765 1.00 0.00 H new ATOM 0 HB THR A 81 0.516 -6.864 2.165 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.576 -6.316 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.820 -6.511 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.076 -8.143 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.026 -7.913 4.979 1.00 0.00 H new ATOM 1307 N THR A 82 0.262 -9.566 0.990 1.00 0.00 N ATOM 1308 CA THR A 82 -0.766 -10.466 0.410 1.00 0.00 C ATOM 1309 C THR A 82 -0.256 -11.904 0.325 1.00 0.00 C ATOM 1310 O THR A 82 -1.009 -12.834 0.535 1.00 0.00 O ATOM 1311 CB THR A 82 -1.130 -9.962 -0.984 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.059 -9.683 -1.706 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.980 -8.688 -0.861 1.00 0.00 C ATOM 0 H THR A 82 0.737 -8.956 0.325 1.00 0.00 H new ATOM 0 HA THR A 82 -1.645 -10.461 1.055 1.00 0.00 H new ATOM 0 HB THR A 82 -1.703 -10.723 -1.514 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.304 -8.742 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.241 -8.327 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.891 -8.911 -0.306 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.412 -7.921 -0.334 1.00 0.00 H new ATOM 1321 N ALA A 83 0.999 -12.121 0.034 1.00 0.00 N ATOM 1322 CA ALA A 83 1.487 -13.523 -0.038 1.00 0.00 C ATOM 1323 C ALA A 83 1.321 -14.164 1.333 1.00 0.00 C ATOM 1324 O ALA A 83 0.833 -15.270 1.458 1.00 0.00 O ATOM 1325 CB ALA A 83 2.964 -13.533 -0.433 1.00 0.00 C ATOM 0 H ALA A 83 1.695 -11.399 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 83 0.917 -14.079 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.320 -14.562 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.083 -13.058 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.543 -12.986 0.311 1.00 0.00 H new ATOM 1331 N CYS A 84 1.709 -13.474 2.371 1.00 0.00 N ATOM 1332 CA CYS A 84 1.550 -14.057 3.731 1.00 0.00 C ATOM 1333 C CYS A 84 0.058 -14.185 4.033 1.00 0.00 C ATOM 1334 O CYS A 84 -0.344 -14.810 4.993 1.00 0.00 O ATOM 1335 CB CYS A 84 2.218 -13.156 4.772 1.00 0.00 C ATOM 1336 SG CYS A 84 1.305 -11.600 4.908 1.00 0.00 S ATOM 0 H CYS A 84 2.124 -12.543 2.337 1.00 0.00 H new ATOM 0 HA CYS A 84 2.024 -15.038 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.245 -13.659 5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.251 -12.959 4.487 1.00 0.00 H new ATOM 0 HG CYS A 84 0.623 -11.401 3.819 1.00 0.00 H new ATOM 1342 N HIS A 85 -0.770 -13.597 3.204 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.247 -13.679 3.417 1.00 0.00 C ATOM 1344 C HIS A 85 -2.828 -14.774 2.521 1.00 0.00 C ATOM 1345 O HIS A 85 -3.726 -15.496 2.909 1.00 0.00 O ATOM 1346 CB HIS A 85 -2.889 -12.334 3.054 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.280 -12.272 3.625 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -4.522 -12.415 4.980 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.510 -12.088 3.040 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -5.848 -12.317 5.168 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -6.500 -12.117 4.018 1.00 0.00 N ATOM 0 H HIS A 85 -0.483 -13.061 2.385 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.453 -13.913 4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.287 -11.514 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.923 -12.216 1.971 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -3.820 -12.567 5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.682 -11.943 1.984 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.330 -12.391 6.132 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.325 -14.903 1.321 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.854 -15.952 0.403 1.00 0.00 C ATOM 1361 C GLU A 86 -2.489 -17.331 0.949 1.00 0.00 C ATOM 1362 O GLU A 86 -3.330 -18.199 1.081 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.244 -15.767 -0.992 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.878 -16.754 -1.977 1.00 0.00 C ATOM 1365 CD GLU A 86 -4.364 -16.429 -2.151 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -4.667 -15.516 -2.902 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -5.174 -17.099 -1.529 1.00 0.00 O ATOM 0 H GLU A 86 -1.573 -14.329 0.939 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.938 -15.866 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.404 -14.745 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.166 -15.924 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.369 -16.699 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.760 -17.774 -1.611 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.246 -17.539 1.274 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.835 -18.862 1.821 1.00 0.00 C ATOM 1376 C PHE A 87 -1.682 -19.172 3.055 1.00 0.00 C ATOM 1377 O PHE A 87 -2.156 -20.276 3.237 1.00 0.00 O ATOM 1378 CB PHE A 87 0.643 -18.819 2.219 1.00 0.00 C ATOM 1379 CG PHE A 87 1.090 -20.202 2.632 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.382 -21.163 1.656 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.210 -20.525 3.989 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.796 -22.445 2.038 1.00 0.00 C ATOM 1383 CE2 PHE A 87 1.624 -21.806 4.371 1.00 0.00 C ATOM 1384 CZ PHE A 87 1.916 -22.766 3.395 1.00 0.00 C ATOM 0 H PHE A 87 -0.497 -16.852 1.185 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.981 -19.633 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.246 -18.464 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.790 -18.117 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.288 -20.915 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.983 -19.785 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.023 -23.186 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.718 -22.054 5.418 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.234 -23.755 3.689 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.879 -18.200 3.901 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.698 -18.426 5.124 1.00 0.00 C ATOM 1396 C PHE A 88 -4.122 -18.810 4.719 1.00 0.00 C ATOM 1397 O PHE A 88 -4.812 -19.511 5.433 1.00 0.00 O ATOM 1398 CB PHE A 88 -2.737 -17.137 5.949 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.376 -17.414 7.291 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -2.677 -18.145 8.258 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -4.665 -16.940 7.569 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.264 -18.402 9.504 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.252 -17.196 8.814 1.00 0.00 C ATOM 1404 CZ PHE A 88 -4.552 -17.928 9.781 1.00 0.00 C ATOM 0 H PHE A 88 -1.507 -17.256 3.798 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.258 -19.229 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.727 -16.752 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.300 -16.370 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.684 -18.511 8.044 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.206 -16.377 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.723 -18.965 10.250 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.245 -16.829 9.029 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.006 -18.127 10.741 1.00 0.00 H new ATOM 1494 N GLU B 2 7.875 -1.355 12.652 1.00 0.00 N ATOM 1495 CA GLU B 2 6.743 -0.489 12.207 1.00 0.00 C ATOM 1496 C GLU B 2 5.958 -1.174 11.080 1.00 0.00 C ATOM 1497 O GLU B 2 4.757 -1.020 10.965 1.00 0.00 O ATOM 1498 CB GLU B 2 7.292 0.847 11.705 1.00 0.00 C ATOM 1499 CG GLU B 2 8.003 1.568 12.853 1.00 0.00 C ATOM 1500 CD GLU B 2 8.481 2.941 12.375 1.00 0.00 C ATOM 1501 OE1 GLU B 2 8.921 3.032 11.241 1.00 0.00 O ATOM 1502 OE2 GLU B 2 8.398 3.877 13.153 1.00 0.00 O ATOM 0 HA GLU B 2 6.074 -0.320 13.051 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.985 0.681 10.880 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.481 1.465 11.320 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.326 1.681 13.700 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.850 0.976 13.199 1.00 0.00 H new ATOM 1509 N LEU B 3 6.628 -1.911 10.236 1.00 0.00 N ATOM 1510 CA LEU B 3 5.940 -2.582 9.106 1.00 0.00 C ATOM 1511 C LEU B 3 5.021 -3.711 9.608 1.00 0.00 C ATOM 1512 O LEU B 3 4.095 -4.107 8.930 1.00 0.00 O ATOM 1513 CB LEU B 3 7.039 -3.145 8.189 1.00 0.00 C ATOM 1514 CG LEU B 3 6.671 -2.993 6.711 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.350 -3.716 6.426 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.561 -1.500 6.319 1.00 0.00 C ATOM 0 H LEU B 3 7.633 -2.076 10.285 1.00 0.00 H new ATOM 0 HA LEU B 3 5.306 -1.876 8.570 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.978 -2.628 8.386 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.201 -4.198 8.418 1.00 0.00 H new ATOM 0 HG LEU B 3 7.462 -3.442 6.110 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.094 -3.604 5.372 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.456 -4.775 6.663 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.559 -3.284 7.040 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.299 -1.419 5.264 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.790 -1.021 6.922 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.517 -1.007 6.494 1.00 0.00 H new ATOM 1528 N GLU B 4 5.265 -4.241 10.777 1.00 0.00 N ATOM 1529 CA GLU B 4 4.394 -5.346 11.280 1.00 0.00 C ATOM 1530 C GLU B 4 3.037 -4.788 11.706 1.00 0.00 C ATOM 1531 O GLU B 4 2.017 -5.428 11.542 1.00 0.00 O ATOM 1532 CB GLU B 4 5.056 -6.024 12.479 1.00 0.00 C ATOM 1533 CG GLU B 4 6.241 -6.864 12.001 1.00 0.00 C ATOM 1534 CD GLU B 4 6.904 -7.546 13.199 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.185 -7.965 14.091 1.00 0.00 O ATOM 1536 OE2 GLU B 4 8.121 -7.637 13.204 1.00 0.00 O ATOM 0 H GLU B 4 6.022 -3.961 11.401 1.00 0.00 H new ATOM 0 HA GLU B 4 4.253 -6.073 10.480 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.394 -5.274 13.194 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.334 -6.656 12.997 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.903 -7.613 11.285 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.963 -6.232 11.484 1.00 0.00 H new ATOM 1543 N LYS B 5 3.010 -3.605 12.248 1.00 0.00 N ATOM 1544 CA LYS B 5 1.711 -3.019 12.678 1.00 0.00 C ATOM 1545 C LYS B 5 0.861 -2.731 11.441 1.00 0.00 C ATOM 1546 O LYS B 5 -0.314 -3.032 11.399 1.00 0.00 O ATOM 1547 CB LYS B 5 1.975 -1.718 13.459 1.00 0.00 C ATOM 1548 CG LYS B 5 2.231 -2.043 14.942 1.00 0.00 C ATOM 1549 CD LYS B 5 3.042 -0.913 15.614 1.00 0.00 C ATOM 1550 CE LYS B 5 4.544 -1.210 15.512 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.320 0.027 15.810 1.00 0.00 N ATOM 0 H LYS B 5 3.829 -3.019 12.412 1.00 0.00 H new ATOM 0 HA LYS B 5 1.178 -3.717 13.324 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.835 -1.198 13.037 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.121 -1.048 13.366 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.281 -2.174 15.460 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.772 -2.985 15.025 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.818 0.040 15.135 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.752 -0.819 16.661 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.817 -2.000 16.212 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.786 -1.571 14.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.338 -0.176 15.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.067 0.768 15.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.097 0.353 16.772 1.00 0.00 H new ATOM 1565 N ALA B 6 1.446 -2.146 10.435 1.00 0.00 N ATOM 1566 CA ALA B 6 0.666 -1.841 9.209 1.00 0.00 C ATOM 1567 C ALA B 6 0.216 -3.140 8.551 1.00 0.00 C ATOM 1568 O ALA B 6 -0.931 -3.300 8.181 1.00 0.00 O ATOM 1569 CB ALA B 6 1.543 -1.053 8.235 1.00 0.00 C ATOM 0 H ALA B 6 2.427 -1.867 10.410 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.210 -1.249 9.474 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.973 -0.827 7.333 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.863 -0.123 8.704 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.419 -1.647 7.972 1.00 0.00 H new ATOM 1575 N MET B 7 1.114 -4.061 8.397 1.00 0.00 N ATOM 1576 CA MET B 7 0.757 -5.352 7.756 1.00 0.00 C ATOM 1577 C MET B 7 -0.335 -6.055 8.559 1.00 0.00 C ATOM 1578 O MET B 7 -1.206 -6.691 8.005 1.00 0.00 O ATOM 1579 CB MET B 7 2.012 -6.232 7.691 1.00 0.00 C ATOM 1580 CG MET B 7 1.723 -7.505 6.896 1.00 0.00 C ATOM 1581 SD MET B 7 3.143 -8.624 7.011 1.00 0.00 S ATOM 1582 CE MET B 7 4.210 -7.793 5.804 1.00 0.00 C ATOM 0 H MET B 7 2.088 -3.977 8.689 1.00 0.00 H new ATOM 0 HA MET B 7 0.380 -5.171 6.750 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.828 -5.680 7.224 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.337 -6.490 8.699 1.00 0.00 H new ATOM 0 HG2 MET B 7 0.829 -7.994 7.284 1.00 0.00 H new ATOM 0 HG3 MET B 7 1.524 -7.258 5.853 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.056 -8.437 5.562 1.00 0.00 H new ATOM 0 HE2 MET B 7 3.641 -7.585 4.898 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.576 -6.857 6.225 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.311 -5.946 9.855 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.368 -6.613 10.670 1.00 0.00 C ATOM 1594 C VAL B 8 -2.601 -5.712 10.710 1.00 0.00 C ATOM 1595 O VAL B 8 -3.723 -6.165 10.614 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.844 -6.850 12.089 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -1.990 -7.326 12.988 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.250 -7.920 12.053 1.00 0.00 C ATOM 0 H VAL B 8 0.389 -5.428 10.386 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.633 -7.573 10.227 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.436 -5.920 12.485 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.615 -7.494 13.997 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.772 -6.567 13.013 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.400 -8.256 12.594 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.625 -8.091 13.062 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.162 -8.848 11.657 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.067 -7.584 11.414 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.392 -4.436 10.852 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.541 -3.492 10.901 1.00 0.00 C ATOM 1610 C ALA B 9 -4.290 -3.517 9.565 1.00 0.00 C ATOM 1611 O ALA B 9 -5.493 -3.335 9.517 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.024 -2.078 11.168 1.00 0.00 C ATOM 0 H ALA B 9 -1.472 -4.004 10.937 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.220 -3.791 11.699 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.864 -1.384 11.204 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.495 -2.058 12.121 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.344 -1.782 10.369 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.600 -3.730 8.475 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.294 -3.748 7.157 1.00 0.00 C ATOM 1620 C LEU B 10 -5.004 -5.091 6.958 1.00 0.00 C ATOM 1621 O LEU B 10 -6.148 -5.132 6.563 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.254 -3.510 6.048 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.029 -1.980 5.837 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.539 -1.683 5.609 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -3.840 -1.499 4.624 1.00 0.00 C ATOM 0 H LEU B 10 -2.593 -3.891 8.442 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.047 -2.960 7.119 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.312 -3.990 6.314 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.593 -3.967 5.118 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.361 -1.452 6.731 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.400 -0.612 5.464 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.966 -2.009 6.477 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.193 -2.217 4.724 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.680 -0.430 4.480 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.516 -2.038 3.733 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.900 -1.687 4.797 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.343 -6.185 7.225 1.00 0.00 N ATOM 1638 CA ILE B 11 -4.988 -7.524 7.046 1.00 0.00 C ATOM 1639 C ILE B 11 -6.391 -7.486 7.654 1.00 0.00 C ATOM 1640 O ILE B 11 -7.297 -8.157 7.198 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.137 -8.590 7.758 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.838 -8.842 6.954 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.934 -9.897 7.906 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -3.062 -9.879 5.841 1.00 0.00 C ATOM 0 H ILE B 11 -3.380 -6.212 7.561 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.060 -7.769 5.986 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.876 -8.231 8.753 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.491 -7.906 6.517 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.054 -9.190 7.626 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.320 -10.642 8.411 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.834 -9.710 8.492 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.214 -10.266 6.919 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.131 -10.034 5.295 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -3.385 -10.822 6.282 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -3.829 -9.517 5.156 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.583 -6.693 8.671 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.928 -6.601 9.294 1.00 0.00 C ATOM 1658 C ASP B 12 -8.844 -5.801 8.372 1.00 0.00 C ATOM 1659 O ASP B 12 -9.930 -6.229 8.034 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.828 -5.899 10.649 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.083 -6.797 11.640 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -7.298 -7.997 11.598 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.314 -6.268 12.425 1.00 0.00 O ATOM 0 H ASP B 12 -5.865 -6.106 9.096 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.331 -7.603 9.444 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.305 -4.949 10.540 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.825 -5.672 11.027 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.412 -4.645 7.952 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.258 -3.829 7.042 1.00 0.00 C ATOM 1670 C VAL B 13 -9.241 -4.446 5.644 1.00 0.00 C ATOM 1671 O VAL B 13 -10.169 -4.282 4.877 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.737 -2.385 6.985 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.782 -1.495 6.312 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.482 -1.881 8.408 1.00 0.00 C ATOM 0 H VAL B 13 -7.513 -4.232 8.199 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.280 -3.815 7.420 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.809 -2.354 6.414 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.414 -0.470 6.271 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -9.969 -1.855 5.300 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.709 -1.525 6.885 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.112 -0.856 8.370 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.412 -1.911 8.977 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.740 -2.517 8.892 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.193 -5.147 5.292 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.138 -5.753 3.927 1.00 0.00 C ATOM 1686 C PHE B 14 -9.134 -6.920 3.827 1.00 0.00 C ATOM 1687 O PHE B 14 -9.894 -7.015 2.884 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.701 -6.257 3.645 1.00 0.00 C ATOM 1689 CG PHE B 14 -5.945 -5.271 2.776 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -6.026 -3.898 3.041 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.166 -5.733 1.708 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -5.331 -2.989 2.238 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -4.469 -4.823 0.905 1.00 0.00 C ATOM 1694 CZ PHE B 14 -4.552 -3.451 1.171 1.00 0.00 C ATOM 0 H PHE B 14 -7.381 -5.325 5.883 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.408 -4.999 3.187 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.170 -6.401 4.586 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.742 -7.228 3.151 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -6.625 -3.542 3.866 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.103 -6.792 1.504 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.395 -1.930 2.441 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -3.868 -5.179 0.081 1.00 0.00 H new ATOM 0 HZ PHE B 14 -4.014 -2.748 0.552 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.120 -7.820 4.772 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.050 -8.986 4.696 1.00 0.00 C ATOM 1706 C HIS B 15 -11.476 -8.558 5.084 1.00 0.00 C ATOM 1707 O HIS B 15 -12.446 -9.100 4.596 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.543 -10.098 5.651 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.525 -11.447 4.961 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -8.685 -12.467 5.376 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.216 -11.948 3.883 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -8.884 -13.516 4.560 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -9.805 -13.254 3.632 1.00 0.00 N ATOM 0 H HIS B 15 -8.510 -7.801 5.589 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.075 -9.366 3.675 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.540 -9.852 6.000 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.184 -10.145 6.531 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -10.963 -11.411 3.318 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -8.361 -14.457 4.645 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -10.137 -13.877 2.896 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.611 -7.608 5.969 1.00 0.00 N ATOM 1722 CA GLN B 16 -12.976 -7.177 6.391 1.00 0.00 C ATOM 1723 C GLN B 16 -13.702 -6.482 5.234 1.00 0.00 C ATOM 1724 O GLN B 16 -14.877 -6.701 5.007 1.00 0.00 O ATOM 1725 CB GLN B 16 -12.856 -6.215 7.576 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.502 -7.006 8.837 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.061 -6.044 9.943 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -11.316 -6.416 10.826 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -12.495 -4.813 9.930 1.00 0.00 N ATOM 0 H GLN B 16 -10.840 -7.113 6.417 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.551 -8.055 6.683 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.089 -5.467 7.375 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.794 -5.679 7.721 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.364 -7.586 9.168 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.704 -7.716 8.620 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -13.121 -4.501 9.188 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.208 -4.163 10.662 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.021 -5.647 4.499 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.690 -4.941 3.364 1.00 0.00 C ATOM 1740 C TYR B 17 -13.641 -5.811 2.112 1.00 0.00 C ATOM 1741 O TYR B 17 -14.662 -6.153 1.551 1.00 0.00 O ATOM 1742 CB TYR B 17 -12.994 -3.595 3.114 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.503 -2.586 4.119 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -12.944 -2.531 5.401 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.547 -1.719 3.773 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.428 -1.608 6.336 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.031 -0.798 4.709 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.472 -0.743 5.990 1.00 0.00 C ATOM 1749 OH TYR B 17 -14.951 0.163 6.914 1.00 0.00 O ATOM 0 H TYR B 17 -12.035 -5.422 4.632 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.734 -4.755 3.615 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -11.914 -3.707 3.206 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.194 -3.250 2.099 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.140 -3.200 5.669 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -14.979 -1.761 2.784 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -12.995 -1.564 7.325 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.836 -0.130 4.442 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.227 0.763 7.190 1.00 0.00 H new ATOM 1759 N SER B 18 -12.476 -6.189 1.668 1.00 0.00 N ATOM 1760 CA SER B 18 -12.404 -7.048 0.454 1.00 0.00 C ATOM 1761 C SER B 18 -13.368 -8.232 0.623 1.00 0.00 C ATOM 1762 O SER B 18 -13.860 -8.790 -0.338 1.00 0.00 O ATOM 1763 CB SER B 18 -10.976 -7.566 0.276 1.00 0.00 C ATOM 1764 OG SER B 18 -10.058 -6.507 0.516 1.00 0.00 O ATOM 0 H SER B 18 -11.579 -5.944 2.087 1.00 0.00 H new ATOM 0 HA SER B 18 -12.684 -6.469 -0.426 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.787 -8.389 0.965 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.842 -7.957 -0.733 1.00 0.00 H new ATOM 0 HG SER B 18 -9.647 -6.624 1.398 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.633 -8.618 1.849 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.556 -9.769 2.110 1.00 0.00 C ATOM 1772 C GLY B 19 -15.951 -9.270 2.521 1.00 0.00 C ATOM 1773 O GLY B 19 -16.826 -10.057 2.822 1.00 0.00 O ATOM 0 H GLY B 19 -13.246 -8.182 2.686 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.635 -10.387 1.216 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.144 -10.400 2.898 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.181 -7.980 2.533 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.536 -7.471 2.920 1.00 0.00 C ATOM 1779 C ARG B 20 -18.577 -8.060 1.973 1.00 0.00 C ATOM 1780 O ARG B 20 -19.639 -8.485 2.381 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.553 -5.938 2.810 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.948 -5.372 3.122 1.00 0.00 C ATOM 1783 CD ARG B 20 -18.971 -3.881 2.782 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.244 -3.280 3.266 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.629 -2.117 2.815 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.886 -1.472 1.956 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.752 -1.596 3.225 1.00 0.00 N ATOM 0 H ARG B 20 -15.497 -7.262 2.294 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.763 -7.764 3.945 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.823 -5.514 3.499 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.253 -5.640 1.805 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.706 -5.901 2.545 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.187 -5.521 4.175 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.121 -3.379 3.244 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.877 -3.741 1.705 1.00 0.00 H new ATOM 0 HE ARG B 20 -20.815 -3.777 3.950 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -19.006 -1.877 1.638 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -20.186 -0.563 1.603 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.331 -2.097 3.899 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.052 -0.687 2.872 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.272 -8.093 0.713 1.00 0.00 N ATOM 1802 CA GLU B 21 -19.240 -8.663 -0.266 1.00 0.00 C ATOM 1803 C GLU B 21 -18.553 -8.865 -1.617 1.00 0.00 C ATOM 1804 O GLU B 21 -17.435 -8.439 -1.825 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.439 -7.714 -0.408 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.991 -6.356 -0.988 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.920 -5.241 -0.491 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -22.124 -5.432 -0.542 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.409 -4.217 -0.069 1.00 0.00 O ATOM 0 H GLU B 21 -17.397 -7.752 0.314 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.594 -9.631 0.089 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -21.190 -8.163 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.908 -7.563 0.564 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.964 -6.145 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.005 -6.394 -2.077 1.00 0.00 H new ATOM 1816 N GLY B 22 -19.210 -9.523 -2.535 1.00 0.00 N ATOM 1817 CA GLY B 22 -18.593 -9.760 -3.873 1.00 0.00 C ATOM 1818 C GLY B 22 -17.734 -11.024 -3.825 1.00 0.00 C ATOM 1819 O GLY B 22 -18.195 -12.087 -3.459 1.00 0.00 O ATOM 0 H GLY B 22 -20.148 -9.907 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -19.370 -9.865 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -17.982 -8.904 -4.160 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.486 -10.916 -4.194 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.595 -12.111 -4.173 1.00 0.00 C ATOM 1825 C ASP B 23 -15.100 -12.357 -2.746 1.00 0.00 C ATOM 1826 O ASP B 23 -15.610 -11.798 -1.796 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.400 -11.876 -5.100 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.891 -11.286 -6.423 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -15.624 -10.312 -6.379 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -14.526 -11.820 -7.459 1.00 0.00 O ATOM 0 H ASP B 23 -16.045 -10.052 -4.509 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.151 -12.983 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.688 -11.198 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.875 -12.814 -5.280 1.00 0.00 H new ATOM 1835 N LYS B 24 -14.117 -13.204 -2.589 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.595 -13.510 -1.223 1.00 0.00 C ATOM 1837 C LYS B 24 -12.480 -12.527 -0.843 1.00 0.00 C ATOM 1838 O LYS B 24 -12.108 -12.423 0.308 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.048 -14.945 -1.220 1.00 0.00 C ATOM 1840 CG LYS B 24 -12.516 -15.332 0.171 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.619 -15.173 1.234 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.330 -16.088 2.430 1.00 0.00 C ATOM 1843 NZ LYS B 24 -11.930 -15.877 2.893 1.00 0.00 N ATOM 0 H LYS B 24 -13.651 -13.699 -3.350 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.399 -13.413 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.835 -15.638 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -12.249 -15.035 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -12.162 -16.363 0.157 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -11.662 -14.705 0.428 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -13.671 -14.135 1.564 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -14.589 -15.420 0.803 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -14.028 -15.876 3.240 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.477 -17.130 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -11.792 -16.352 3.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -11.270 -16.273 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -11.750 -14.858 3.001 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.937 -11.801 -1.787 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.847 -10.847 -1.425 1.00 0.00 C ATOM 1859 C HIS B 25 -10.588 -9.853 -2.560 1.00 0.00 C ATOM 1860 O HIS B 25 -9.529 -9.835 -3.156 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.569 -11.648 -1.117 1.00 0.00 C ATOM 1862 CG HIS B 25 -8.671 -10.872 -0.189 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -8.621 -11.122 1.179 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -7.774 -9.856 -0.416 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -7.723 -10.273 1.714 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -7.181 -9.483 0.784 1.00 0.00 N ATOM 0 H HIS B 25 -12.195 -11.826 -2.774 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.149 -10.276 -0.547 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.832 -12.604 -0.663 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.040 -11.870 -2.044 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -7.562 -9.415 -1.379 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -7.473 -10.236 2.764 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -6.478 -8.757 0.925 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.537 -9.001 -2.838 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.355 -7.972 -3.904 1.00 0.00 C ATOM 1876 C LYS B 26 -12.055 -6.696 -3.438 1.00 0.00 C ATOM 1877 O LYS B 26 -13.020 -6.744 -2.702 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.967 -8.464 -5.225 1.00 0.00 C ATOM 1879 CG LYS B 26 -10.940 -9.319 -5.978 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.598 -9.974 -7.197 1.00 0.00 C ATOM 1881 CE LYS B 26 -12.237 -8.903 -8.088 1.00 0.00 C ATOM 1882 NZ LYS B 26 -12.374 -9.431 -9.475 1.00 0.00 N ATOM 0 H LYS B 26 -12.441 -8.973 -2.367 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.295 -7.783 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.866 -9.047 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.267 -7.614 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.102 -8.699 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.537 -10.085 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.855 -10.534 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.355 -10.687 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.215 -8.623 -7.695 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.624 -8.002 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.696 -8.670 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.454 -9.787 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.068 -10.205 -9.485 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.570 -5.554 -3.844 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.196 -4.266 -3.399 1.00 0.00 C ATOM 1898 C LEU B 27 -13.195 -3.758 -4.451 1.00 0.00 C ATOM 1899 O LEU B 27 -12.858 -3.530 -5.596 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.077 -3.226 -3.187 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.509 -2.126 -2.189 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.270 -1.392 -1.675 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -12.427 -1.118 -2.885 1.00 0.00 C ATOM 0 H LEU B 27 -10.767 -5.453 -4.465 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.740 -4.427 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.181 -3.724 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -10.816 -2.770 -4.142 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.041 -2.590 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.572 -0.616 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -9.610 -2.100 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.743 -0.936 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -12.726 -0.347 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -11.896 -0.657 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -13.313 -1.631 -3.259 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.422 -3.551 -4.034 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.486 -3.019 -4.952 1.00 0.00 C ATOM 1917 C LYS B 28 -15.837 -1.594 -4.499 1.00 0.00 C ATOM 1918 O LYS B 28 -15.626 -1.228 -3.363 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.739 -3.929 -4.904 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.620 -4.908 -3.736 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.966 -5.573 -3.481 1.00 0.00 C ATOM 1922 CE LYS B 28 -18.458 -6.266 -4.750 1.00 0.00 C ATOM 1923 NZ LYS B 28 -17.321 -6.972 -5.407 1.00 0.00 N ATOM 0 H LYS B 28 -14.738 -3.731 -3.081 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.125 -3.004 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.637 -3.322 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -16.839 -4.476 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.867 -5.664 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.289 -4.382 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.874 -6.299 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.693 -4.828 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.248 -6.976 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.888 -5.534 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.683 -7.776 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.824 -6.314 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.662 -7.319 -4.681 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.367 -0.784 -5.369 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.712 0.611 -4.964 1.00 0.00 C ATOM 1939 C LYS B 29 -17.483 0.589 -3.640 1.00 0.00 C ATOM 1940 O LYS B 29 -17.202 1.352 -2.736 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.556 1.274 -6.056 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.852 1.119 -7.417 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.342 2.203 -8.402 1.00 0.00 C ATOM 1944 CE LYS B 29 -17.271 1.679 -9.842 1.00 0.00 C ATOM 1945 NZ LYS B 29 -16.046 0.848 -10.010 1.00 0.00 N ATOM 0 H LYS B 29 -16.577 -1.022 -6.338 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.795 1.185 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.545 0.818 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.700 2.330 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.773 1.198 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.052 0.129 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.366 2.488 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.730 3.099 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.158 1.088 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.256 2.513 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.888 0.663 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.226 1.355 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.167 -0.054 -9.507 1.00 0.00 H new ATOM 1959 N SER B 30 -18.445 -0.284 -3.510 1.00 0.00 N ATOM 1960 CA SER B 30 -19.218 -0.353 -2.235 1.00 0.00 C ATOM 1961 C SER B 30 -18.239 -0.442 -1.060 1.00 0.00 C ATOM 1962 O SER B 30 -18.577 -0.159 0.068 1.00 0.00 O ATOM 1963 CB SER B 30 -20.112 -1.595 -2.246 1.00 0.00 C ATOM 1964 OG SER B 30 -21.263 -1.339 -3.040 1.00 0.00 O ATOM 0 H SER B 30 -18.729 -0.950 -4.228 1.00 0.00 H new ATOM 0 HA SER B 30 -19.838 0.538 -2.133 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.564 -2.448 -2.645 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.408 -1.853 -1.229 1.00 0.00 H new ATOM 0 HG SER B 30 -21.837 -2.133 -3.050 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.018 -0.800 -1.341 1.00 0.00 N ATOM 1971 CA GLU B 31 -15.981 -0.887 -0.265 1.00 0.00 C ATOM 1972 C GLU B 31 -15.100 0.345 -0.327 1.00 0.00 C ATOM 1973 O GLU B 31 -14.730 0.886 0.681 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.145 -2.152 -0.438 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.018 -3.374 -0.158 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.238 -4.639 -0.498 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.022 -4.569 -0.514 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.869 -5.655 -0.739 1.00 0.00 O ATOM 0 H GLU B 31 -16.687 -1.039 -2.276 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.468 -0.934 0.709 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.744 -2.201 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.293 -2.135 0.242 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.318 -3.389 0.890 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.932 -3.326 -0.751 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.767 0.801 -1.496 1.00 0.00 N ATOM 1986 CA LEU B 32 -13.907 2.011 -1.589 1.00 0.00 C ATOM 1987 C LEU B 32 -14.666 3.213 -1.028 1.00 0.00 C ATOM 1988 O LEU B 32 -14.162 3.941 -0.199 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.506 2.245 -3.065 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.047 2.717 -3.161 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.640 2.829 -4.632 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -11.907 4.084 -2.490 1.00 0.00 C ATOM 0 H LEU B 32 -15.049 0.393 -2.387 1.00 0.00 H new ATOM 0 HA LEU B 32 -12.998 1.872 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.634 1.323 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.165 2.989 -3.513 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.401 1.997 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.605 3.164 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.738 1.855 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.287 3.548 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.872 4.419 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.555 4.803 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.195 4.006 -1.442 1.00 0.00 H new ATOM 2004 N LYS B 33 -15.875 3.419 -1.451 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.649 4.566 -0.915 1.00 0.00 C ATOM 2006 C LYS B 33 -16.981 4.288 0.554 1.00 0.00 C ATOM 2007 O LYS B 33 -16.989 5.179 1.381 1.00 0.00 O ATOM 2008 CB LYS B 33 -17.933 4.735 -1.746 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.931 5.681 -1.027 1.00 0.00 C ATOM 2010 CD LYS B 33 -19.987 4.857 -0.262 1.00 0.00 C ATOM 2011 CE LYS B 33 -20.565 5.684 0.889 1.00 0.00 C ATOM 2012 NZ LYS B 33 -20.866 7.064 0.412 1.00 0.00 N ATOM 0 H LYS B 33 -16.360 2.846 -2.142 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.071 5.488 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.686 5.138 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.398 3.763 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.394 6.330 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -19.421 6.327 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.785 4.555 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -19.536 3.944 0.126 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.472 5.214 1.268 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -19.856 5.721 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -21.634 7.469 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -20.016 7.656 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -21.158 7.030 -0.586 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.262 3.054 0.879 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.603 2.722 2.299 1.00 0.00 C ATOM 2028 C GLU B 34 -16.325 2.668 3.140 1.00 0.00 C ATOM 2029 O GLU B 34 -16.330 2.977 4.315 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.321 1.372 2.360 1.00 0.00 C ATOM 2031 CG GLU B 34 -18.816 1.108 3.786 1.00 0.00 C ATOM 2032 CD GLU B 34 -19.919 2.109 4.139 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -21.040 1.903 3.707 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -19.621 3.067 4.835 1.00 0.00 O ATOM 0 H GLU B 34 -17.271 2.266 0.231 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.261 3.494 2.697 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.162 1.366 1.667 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.645 0.576 2.047 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.195 0.089 3.868 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -17.990 1.198 4.491 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.232 2.291 2.547 1.00 0.00 N ATOM 2042 CA LEU B 35 -13.950 2.231 3.302 1.00 0.00 C ATOM 2043 C LEU B 35 -13.504 3.656 3.606 1.00 0.00 C ATOM 2044 O LEU B 35 -12.964 3.950 4.654 1.00 0.00 O ATOM 2045 CB LEU B 35 -12.898 1.534 2.428 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.493 1.688 3.030 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.474 1.181 4.472 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.506 0.875 2.194 1.00 0.00 C ATOM 0 H LEU B 35 -15.169 2.020 1.566 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.074 1.678 4.233 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.143 0.476 2.332 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.916 1.957 1.424 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.213 2.741 3.025 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.472 1.297 4.885 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.181 1.756 5.069 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -11.755 0.128 4.491 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.505 0.977 2.612 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -10.799 -0.175 2.205 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.510 1.242 1.168 1.00 0.00 H new ATOM 2060 N ILE B 36 -13.719 4.541 2.682 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.303 5.947 2.883 1.00 0.00 C ATOM 2062 C ILE B 36 -14.174 6.594 3.961 1.00 0.00 C ATOM 2063 O ILE B 36 -13.706 7.366 4.774 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.446 6.696 1.554 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.358 6.212 0.595 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.292 8.203 1.774 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.679 6.688 -0.823 1.00 0.00 C ATOM 0 H ILE B 36 -14.170 4.348 1.788 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.264 5.989 3.211 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.433 6.501 1.135 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.386 6.595 0.907 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.295 5.124 0.619 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.396 8.722 0.821 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.062 8.551 2.463 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.308 8.411 2.195 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.903 6.343 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.642 6.284 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -12.720 7.777 -0.841 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.438 6.292 3.964 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.352 6.894 4.975 1.00 0.00 C ATOM 2081 C ASN B 37 -16.222 6.176 6.330 1.00 0.00 C ATOM 2082 O ASN B 37 -16.591 6.708 7.358 1.00 0.00 O ATOM 2083 CB ASN B 37 -17.793 6.779 4.476 1.00 0.00 C ATOM 2084 CG ASN B 37 -17.962 7.623 3.212 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -19.066 7.830 2.748 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -16.905 8.122 2.629 1.00 0.00 N ATOM 0 H ASN B 37 -15.883 5.651 3.307 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.082 7.941 5.113 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.035 5.737 4.266 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.485 7.117 5.248 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -17.006 8.685 1.785 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -15.978 7.949 3.018 1.00 0.00 H new ATOM 2093 N ASN B 38 -15.757 4.952 6.339 1.00 0.00 N ATOM 2094 CA ASN B 38 -15.667 4.188 7.630 1.00 0.00 C ATOM 2095 C ASN B 38 -14.274 4.277 8.281 1.00 0.00 C ATOM 2096 O ASN B 38 -14.140 4.022 9.462 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.001 2.717 7.354 1.00 0.00 C ATOM 2098 CG ASN B 38 -17.511 2.562 7.158 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.006 1.463 7.004 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -18.270 3.624 7.159 1.00 0.00 N ATOM 0 H ASN B 38 -15.436 4.446 5.513 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.376 4.633 8.328 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -15.472 2.374 6.465 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.666 2.095 8.184 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.278 3.531 7.031 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.855 4.547 7.288 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.240 4.612 7.549 1.00 0.00 N ATOM 2108 CA GLU B 39 -11.866 4.686 8.169 1.00 0.00 C ATOM 2109 C GLU B 39 -11.195 6.015 7.821 1.00 0.00 C ATOM 2110 O GLU B 39 -10.748 6.738 8.689 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.012 3.532 7.642 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.540 2.210 8.204 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.224 2.125 9.699 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -12.027 2.604 10.484 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -10.186 1.581 10.035 1.00 0.00 O ATOM 0 H GLU B 39 -13.280 4.837 6.555 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.962 4.614 9.252 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.039 3.513 6.552 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.971 3.673 7.933 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.616 2.139 8.045 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.084 1.371 7.677 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.122 6.349 6.564 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.480 7.636 6.175 1.00 0.00 C ATOM 2124 C LEU B 40 -11.527 8.745 6.251 1.00 0.00 C ATOM 2125 O LEU B 40 -11.470 9.714 5.522 1.00 0.00 O ATOM 2126 CB LEU B 40 -9.910 7.541 4.750 1.00 0.00 C ATOM 2127 CG LEU B 40 -8.806 6.460 4.648 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -7.619 6.831 5.550 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -9.342 5.070 5.038 1.00 0.00 C ATOM 0 H LEU B 40 -11.478 5.788 5.790 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.657 7.856 6.855 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.713 7.308 4.051 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.502 8.508 4.456 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.476 6.418 3.610 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.848 6.064 5.471 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.209 7.791 5.236 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.956 6.901 6.584 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.541 4.335 4.955 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -9.706 5.096 6.065 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -10.158 4.794 4.370 1.00 0.00 H new ATOM 2141 N SER B 41 -12.476 8.631 7.151 1.00 0.00 N ATOM 2142 CA SER B 41 -13.506 9.699 7.288 1.00 0.00 C ATOM 2143 C SER B 41 -12.940 10.814 8.168 1.00 0.00 C ATOM 2144 O SER B 41 -13.405 11.936 8.143 1.00 0.00 O ATOM 2145 CB SER B 41 -14.764 9.116 7.940 1.00 0.00 C ATOM 2146 OG SER B 41 -14.384 8.127 8.888 1.00 0.00 O ATOM 0 H SER B 41 -12.578 7.845 7.793 1.00 0.00 H new ATOM 0 HA SER B 41 -13.765 10.096 6.307 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.334 9.906 8.429 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.412 8.679 7.181 1.00 0.00 H new ATOM 0 HG SER B 41 -14.963 7.342 8.792 1.00 0.00 H new ATOM 2152 N HIS B 42 -11.930 10.512 8.939 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.320 11.552 9.813 1.00 0.00 C ATOM 2154 C HIS B 42 -10.282 12.314 8.997 1.00 0.00 C ATOM 2155 O HIS B 42 -9.930 13.435 9.306 1.00 0.00 O ATOM 2156 CB HIS B 42 -10.642 10.880 11.008 1.00 0.00 C ATOM 2157 CG HIS B 42 -10.001 11.928 11.876 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -10.743 12.743 12.720 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -8.692 12.309 12.041 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -9.883 13.566 13.349 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -8.625 13.341 12.969 1.00 0.00 N ATOM 0 H HIS B 42 -11.501 9.588 9.000 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.086 12.236 10.178 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.374 10.314 11.584 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -9.891 10.170 10.662 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -7.846 11.874 11.529 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -10.175 14.314 14.071 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -7.788 13.826 13.292 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.798 11.706 7.942 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.786 12.370 7.068 1.00 0.00 C ATOM 2172 C PHE B 43 -9.462 12.772 5.756 1.00 0.00 C ATOM 2173 O PHE B 43 -9.348 13.900 5.316 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.636 11.389 6.787 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.658 11.410 7.943 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -5.909 12.565 8.198 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -6.503 10.282 8.761 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.007 12.594 9.268 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.599 10.312 9.830 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.852 11.468 10.084 1.00 0.00 C ATOM 0 H PHE B 43 -10.065 10.767 7.647 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.384 13.256 7.560 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.029 10.382 6.648 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.128 11.663 5.862 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -6.027 13.435 7.568 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.081 9.390 8.567 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -4.430 13.486 9.464 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.478 9.442 10.459 1.00 0.00 H new ATOM 0 HZ PHE B 43 -4.156 11.491 10.910 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.174 11.862 5.129 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.867 12.198 3.843 1.00 0.00 C ATOM 2192 C LEU B 44 -12.354 12.449 4.117 1.00 0.00 C ATOM 2193 O LEU B 44 -13.015 11.672 4.771 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.707 11.041 2.835 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.417 11.216 2.022 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.217 11.354 2.964 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -9.217 9.995 1.121 1.00 0.00 C ATOM 0 H LEU B 44 -10.304 10.903 5.452 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.419 13.096 3.418 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.684 10.089 3.365 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.566 11.012 2.165 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.498 12.116 1.413 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.306 11.478 2.378 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.356 12.224 3.606 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.133 10.459 3.580 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -8.301 10.116 0.542 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.142 9.098 1.735 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.065 9.900 0.443 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.880 13.534 3.618 1.00 0.00 N ATOM 2210 CA GLU B 45 -14.320 13.841 3.846 1.00 0.00 C ATOM 2211 C GLU B 45 -15.174 12.671 3.353 1.00 0.00 C ATOM 2212 O GLU B 45 -14.849 12.016 2.382 1.00 0.00 O ATOM 2213 CB GLU B 45 -14.695 15.110 3.075 1.00 0.00 C ATOM 2214 CG GLU B 45 -16.152 15.478 3.367 1.00 0.00 C ATOM 2215 CD GLU B 45 -16.451 16.866 2.799 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -15.558 17.446 2.203 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -17.568 17.326 2.969 1.00 0.00 O ATOM 0 H GLU B 45 -12.373 14.222 3.061 1.00 0.00 H new ATOM 0 HA GLU B 45 -14.498 13.996 4.910 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -14.038 15.930 3.363 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.557 14.952 2.005 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -16.821 14.740 2.923 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -16.333 15.467 4.442 1.00 0.00 H new ATOM 2224 N GLU B 46 -16.266 12.403 4.014 1.00 0.00 N ATOM 2225 CA GLU B 46 -17.141 11.277 3.583 1.00 0.00 C ATOM 2226 C GLU B 46 -17.676 11.553 2.180 1.00 0.00 C ATOM 2227 O GLU B 46 -18.541 12.387 1.995 1.00 0.00 O ATOM 2228 CB GLU B 46 -18.327 11.151 4.544 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.824 10.832 5.952 1.00 0.00 C ATOM 2230 CD GLU B 46 -17.214 12.085 6.582 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -17.392 13.156 6.024 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -16.576 11.953 7.616 1.00 0.00 O ATOM 0 H GLU B 46 -16.590 12.915 4.834 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.561 10.354 3.585 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.898 12.079 4.554 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -19.001 10.365 4.203 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.646 10.468 6.568 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.080 10.036 5.911 1.00 0.00 H new ATOM 2239 N ILE B 47 -17.189 10.859 1.189 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.708 11.101 -0.184 1.00 0.00 C ATOM 2241 C ILE B 47 -19.162 10.626 -0.247 1.00 0.00 C ATOM 2242 O ILE B 47 -19.470 9.497 0.080 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.852 10.354 -1.227 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -17.188 8.849 -1.229 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.367 10.544 -0.908 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.140 8.068 -2.040 1.00 0.00 C ATOM 0 H ILE B 47 -16.465 10.145 1.268 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.657 12.166 -0.413 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.072 10.764 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.218 8.475 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.179 8.691 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.765 10.015 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.122 11.606 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -15.154 10.147 0.085 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.391 7.007 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.131 8.431 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.155 8.211 -1.596 1.00 0.00 H new ATOM 2258 N LYS B 48 -20.058 11.479 -0.665 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.496 11.083 -0.757 1.00 0.00 C ATOM 2260 C LYS B 48 -21.813 10.753 -2.214 1.00 0.00 C ATOM 2261 O LYS B 48 -22.834 10.171 -2.527 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.371 12.247 -0.286 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.244 12.403 1.233 1.00 0.00 C ATOM 2264 CD LYS B 48 -23.081 13.600 1.691 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.883 13.819 3.191 1.00 0.00 C ATOM 2266 NZ LYS B 48 -21.445 14.102 3.464 1.00 0.00 N ATOM 0 H LYS B 48 -19.856 12.438 -0.948 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.692 10.214 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -22.067 13.168 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.411 12.067 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.583 11.495 1.733 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -21.200 12.548 1.509 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.788 14.494 1.141 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -24.135 13.424 1.475 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -23.500 14.650 3.533 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -23.203 12.936 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -21.356 14.604 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -20.918 13.207 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -21.057 14.693 2.701 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.927 11.124 -3.104 1.00 0.00 N ATOM 2281 CA GLU B 49 -21.127 10.849 -4.562 1.00 0.00 C ATOM 2282 C GLU B 49 -19.984 9.963 -5.056 1.00 0.00 C ATOM 2283 O GLU B 49 -18.827 10.322 -4.970 1.00 0.00 O ATOM 2284 CB GLU B 49 -21.116 12.169 -5.334 1.00 0.00 C ATOM 2285 CG GLU B 49 -22.244 13.069 -4.828 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.418 14.252 -5.781 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.522 14.484 -6.576 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -23.445 14.907 -5.703 1.00 0.00 O ATOM 0 H GLU B 49 -20.061 11.613 -2.880 1.00 0.00 H new ATOM 0 HA GLU B 49 -22.082 10.347 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.155 12.668 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -21.239 11.979 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -23.173 12.503 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -22.015 13.427 -3.824 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.296 8.806 -5.564 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.225 7.896 -6.053 1.00 0.00 C ATOM 2297 C GLN B 50 -18.421 8.583 -7.163 1.00 0.00 C ATOM 2298 O GLN B 50 -17.318 8.184 -7.476 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.865 6.617 -6.599 1.00 0.00 C ATOM 2300 CG GLN B 50 -21.010 6.979 -7.549 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.593 5.701 -8.157 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.007 5.116 -9.046 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -22.731 5.243 -7.713 1.00 0.00 N ATOM 0 H GLN B 50 -21.247 8.450 -5.662 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.554 7.651 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -19.119 6.021 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.240 6.007 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.785 7.524 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.647 7.637 -8.338 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -23.222 5.735 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -23.129 4.393 -8.112 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.970 9.595 -7.776 1.00 0.00 N ATOM 2313 CA GLU B 51 -18.254 10.292 -8.884 1.00 0.00 C ATOM 2314 C GLU B 51 -16.777 10.471 -8.564 1.00 0.00 C ATOM 2315 O GLU B 51 -15.929 10.269 -9.409 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.893 11.660 -9.128 1.00 0.00 C ATOM 2317 CG GLU B 51 -20.357 11.480 -9.537 1.00 0.00 C ATOM 2318 CD GLU B 51 -20.905 12.805 -10.071 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -20.387 13.838 -9.679 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -21.833 12.765 -10.862 1.00 0.00 O ATOM 0 H GLU B 51 -19.891 9.973 -7.556 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.336 9.677 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.830 12.268 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.350 12.192 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.440 10.706 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.946 11.149 -8.682 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.444 10.831 -7.364 1.00 0.00 N ATOM 2328 CA VAL B 52 -15.005 10.991 -7.039 1.00 0.00 C ATOM 2329 C VAL B 52 -14.402 9.606 -6.885 1.00 0.00 C ATOM 2330 O VAL B 52 -13.275 9.365 -7.268 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.844 11.809 -5.750 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.828 11.306 -4.694 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -13.410 11.680 -5.220 1.00 0.00 C ATOM 0 H VAL B 52 -17.095 11.020 -6.601 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.489 11.528 -7.835 1.00 0.00 H new ATOM 0 HB VAL B 52 -15.050 12.857 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.711 11.889 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -16.847 11.414 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.629 10.256 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -13.306 12.264 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -13.193 10.633 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -12.711 12.051 -5.969 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.144 8.687 -6.350 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.600 7.319 -6.205 1.00 0.00 C ATOM 2345 C VAL B 53 -14.409 6.773 -7.618 1.00 0.00 C ATOM 2346 O VAL B 53 -13.595 5.905 -7.866 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.558 6.452 -5.333 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.385 5.472 -6.180 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.752 5.643 -4.310 1.00 0.00 C ATOM 0 H VAL B 53 -16.096 8.822 -6.009 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.642 7.307 -5.686 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.239 7.140 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.037 4.890 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.990 6.030 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.715 4.800 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.431 5.041 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.054 4.989 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.198 6.323 -3.663 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.150 7.309 -8.550 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.013 6.865 -9.960 1.00 0.00 C ATOM 2361 C ASP B 54 -13.771 7.530 -10.542 1.00 0.00 C ATOM 2362 O ASP B 54 -13.048 6.949 -11.328 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.250 7.286 -10.759 1.00 0.00 C ATOM 2364 CG ASP B 54 -16.091 6.847 -12.215 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -15.063 7.151 -12.797 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -17.001 6.214 -12.724 1.00 0.00 O ATOM 0 H ASP B 54 -15.846 8.038 -8.391 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.922 5.780 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -17.145 6.836 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.380 8.367 -10.706 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.511 8.748 -10.148 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.304 9.458 -10.662 1.00 0.00 C ATOM 2373 C LYS B 55 -11.057 8.883 -9.983 1.00 0.00 C ATOM 2374 O LYS B 55 -10.126 8.461 -10.633 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.414 10.960 -10.360 1.00 0.00 C ATOM 2376 CG LYS B 55 -11.099 11.689 -10.744 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.241 11.955 -9.491 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.772 12.133 -9.890 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.643 13.308 -10.799 1.00 0.00 N ATOM 0 H LYS B 55 -14.082 9.282 -9.493 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.231 9.319 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -13.249 11.388 -10.914 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.624 11.110 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.536 11.085 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.331 12.632 -11.240 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.598 12.848 -8.979 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.338 11.125 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.158 12.278 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.407 11.234 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.641 13.575 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.014 13.062 -11.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.184 14.107 -10.412 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.034 8.853 -8.677 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.842 8.290 -7.984 1.00 0.00 C ATOM 2395 C VAL B 56 -9.608 6.888 -8.540 1.00 0.00 C ATOM 2396 O VAL B 56 -8.491 6.466 -8.764 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.074 8.251 -6.460 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.942 7.046 -6.074 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.727 8.155 -5.737 1.00 0.00 C ATOM 0 H VAL B 56 -11.780 9.190 -8.068 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.965 8.913 -8.159 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.590 9.165 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.093 7.037 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.907 7.117 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.443 6.126 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -8.893 8.128 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.211 7.246 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.117 9.023 -5.988 1.00 0.00 H new ATOM 2409 N MET B 57 -10.673 6.177 -8.783 1.00 0.00 N ATOM 2410 CA MET B 57 -10.547 4.812 -9.349 1.00 0.00 C ATOM 2411 C MET B 57 -9.860 4.913 -10.713 1.00 0.00 C ATOM 2412 O MET B 57 -9.236 3.982 -11.178 1.00 0.00 O ATOM 2413 CB MET B 57 -11.946 4.207 -9.503 1.00 0.00 C ATOM 2414 CG MET B 57 -11.872 2.909 -10.307 1.00 0.00 C ATOM 2415 SD MET B 57 -13.401 1.966 -10.069 1.00 0.00 S ATOM 2416 CE MET B 57 -13.047 1.304 -8.419 1.00 0.00 C ATOM 0 H MET B 57 -11.629 6.487 -8.612 1.00 0.00 H new ATOM 0 HA MET B 57 -9.955 4.175 -8.692 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.376 4.011 -8.521 1.00 0.00 H new ATOM 0 HB3 MET B 57 -12.604 4.917 -10.004 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.729 3.131 -11.365 1.00 0.00 H new ATOM 0 HG3 MET B 57 -11.014 2.318 -9.987 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.713 0.466 -8.213 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.012 0.964 -8.378 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.203 2.083 -7.673 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.960 6.049 -11.349 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.302 6.225 -12.674 1.00 0.00 C ATOM 2428 C GLU B 58 -7.802 6.372 -12.460 1.00 0.00 C ATOM 2429 O GLU B 58 -6.997 5.891 -13.232 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.839 7.494 -13.344 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.433 7.516 -14.818 1.00 0.00 C ATOM 2432 CD GLU B 58 -7.938 7.816 -14.936 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -7.473 8.702 -14.239 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -7.281 7.154 -15.725 1.00 0.00 O ATOM 0 H GLU B 58 -10.470 6.864 -11.007 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.509 5.363 -13.308 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.925 7.530 -13.256 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.449 8.376 -12.837 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.659 6.556 -15.282 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.009 8.272 -15.353 1.00 0.00 H new ATOM 2441 N THR B 59 -7.430 7.042 -11.414 1.00 0.00 N ATOM 2442 CA THR B 59 -5.985 7.238 -11.131 1.00 0.00 C ATOM 2443 C THR B 59 -5.400 5.957 -10.549 1.00 0.00 C ATOM 2444 O THR B 59 -4.239 5.652 -10.741 1.00 0.00 O ATOM 2445 CB THR B 59 -5.807 8.374 -10.123 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.340 9.574 -10.664 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.317 8.558 -9.831 1.00 0.00 C ATOM 0 H THR B 59 -8.066 7.465 -10.738 1.00 0.00 H new ATOM 0 HA THR B 59 -5.470 7.488 -12.058 1.00 0.00 H new ATOM 0 HB THR B 59 -6.332 8.132 -9.199 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.228 10.302 -10.018 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.184 9.367 -9.113 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.911 7.635 -9.417 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.793 8.803 -10.755 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.184 5.206 -9.821 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.646 3.947 -9.212 1.00 0.00 C ATOM 2457 C LEU B 60 -5.854 2.765 -10.160 1.00 0.00 C ATOM 2458 O LEU B 60 -4.953 1.978 -10.372 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.359 3.675 -7.877 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.636 4.402 -6.731 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.220 3.808 -6.509 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.535 5.898 -7.063 1.00 0.00 C ATOM 0 H LEU B 60 -7.164 5.404 -9.621 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.577 4.069 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.394 4.011 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.382 2.603 -7.680 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.207 4.269 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.727 4.338 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.304 2.751 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.632 3.918 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.023 6.417 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.974 6.028 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.536 6.312 -7.184 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.011 2.618 -10.741 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.226 1.473 -11.673 1.00 0.00 C ATOM 2476 C ASP B 61 -6.181 1.511 -12.775 1.00 0.00 C ATOM 2477 O ASP B 61 -6.288 2.238 -13.743 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.628 1.576 -12.259 1.00 0.00 C ATOM 2479 CG ASP B 61 -8.937 0.330 -13.082 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.091 -0.547 -13.136 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.015 0.275 -13.646 1.00 0.00 O ATOM 0 H ASP B 61 -7.813 3.235 -10.614 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.129 0.528 -11.139 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.360 1.685 -11.458 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.706 2.465 -12.885 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.161 0.718 -12.614 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.068 0.666 -13.625 1.00 0.00 C ATOM 2488 C GLU B 62 -4.405 -0.397 -14.657 1.00 0.00 C ATOM 2489 O GLU B 62 -4.161 -0.235 -15.837 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.744 0.319 -12.934 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.187 1.564 -12.238 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.603 2.518 -13.283 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -0.814 2.062 -14.095 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -1.955 3.685 -13.255 1.00 0.00 O ATOM 0 H GLU B 62 -5.036 0.096 -11.816 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.968 1.635 -14.114 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.899 -0.478 -12.207 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.027 -0.053 -13.666 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.977 2.063 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.417 1.279 -11.521 1.00 0.00 H new ATOM 2501 N ASP B 63 -4.979 -1.480 -14.226 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.348 -2.546 -15.187 1.00 0.00 C ATOM 2503 C ASP B 63 -6.661 -2.149 -15.854 1.00 0.00 C ATOM 2504 O ASP B 63 -7.136 -2.818 -16.750 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.525 -3.873 -14.445 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.545 -3.698 -13.319 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -6.853 -2.562 -12.997 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -7.001 -4.703 -12.797 1.00 0.00 O ATOM 0 H ASP B 63 -5.208 -1.672 -13.251 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.565 -2.667 -15.936 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -5.860 -4.646 -15.136 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.570 -4.203 -14.036 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.257 -1.065 -15.425 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.541 -0.646 -16.051 1.00 0.00 C ATOM 2515 C GLY B 64 -9.596 -1.697 -15.725 1.00 0.00 C ATOM 2516 O GLY B 64 -10.333 -2.140 -16.584 1.00 0.00 O ATOM 0 H GLY B 64 -6.913 -0.461 -14.678 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.847 0.330 -15.674 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.423 -0.548 -17.130 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.659 -2.120 -14.487 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.651 -3.169 -14.100 1.00 0.00 C ATOM 2522 C ASP B 65 -11.866 -2.520 -13.444 1.00 0.00 C ATOM 2523 O ASP B 65 -12.840 -3.177 -13.137 1.00 0.00 O ATOM 2524 CB ASP B 65 -9.998 -4.127 -13.102 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.334 -3.324 -11.982 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.524 -2.119 -11.951 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.645 -3.927 -11.175 1.00 0.00 O ATOM 0 H ASP B 65 -9.066 -1.784 -13.728 1.00 0.00 H new ATOM 0 HA ASP B 65 -10.969 -3.711 -14.991 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.747 -4.801 -12.686 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.257 -4.746 -13.608 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.818 -1.239 -13.213 1.00 0.00 N ATOM 2533 CA GLY B 66 -12.980 -0.572 -12.560 1.00 0.00 C ATOM 2534 C GLY B 66 -13.047 -1.050 -11.117 1.00 0.00 C ATOM 2535 O GLY B 66 -13.906 -0.662 -10.351 1.00 0.00 O ATOM 0 H GLY B 66 -11.034 -0.629 -13.445 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.868 0.512 -12.598 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.904 -0.815 -13.085 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.121 -1.890 -10.749 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.061 -2.421 -9.359 1.00 0.00 C ATOM 2541 C GLU B 67 -10.643 -2.196 -8.849 1.00 0.00 C ATOM 2542 O GLU B 67 -9.782 -1.762 -9.587 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.381 -3.919 -9.370 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.863 -4.120 -9.695 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.170 -5.615 -9.791 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.231 -6.394 -9.794 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.339 -5.957 -9.860 1.00 0.00 O ATOM 0 H GLU B 67 -11.388 -2.238 -11.367 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.784 -1.919 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.763 -4.429 -10.109 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.147 -4.359 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.480 -3.661 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.109 -3.627 -10.635 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.388 -2.470 -7.597 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.013 -2.251 -7.038 1.00 0.00 C ATOM 2556 C CYS B 68 -8.507 -3.529 -6.361 1.00 0.00 C ATOM 2557 O CYS B 68 -8.793 -3.784 -5.206 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.066 -1.102 -6.018 1.00 0.00 C ATOM 2559 SG CYS B 68 -8.813 0.474 -6.874 1.00 0.00 S ATOM 0 H CYS B 68 -11.070 -2.837 -6.933 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.328 -1.994 -7.846 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -10.028 -1.100 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.299 -1.242 -5.256 1.00 0.00 H new ATOM 0 HG CYS B 68 -7.975 0.306 -7.854 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.772 -4.339 -7.086 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.241 -5.606 -6.501 1.00 0.00 C ATOM 2567 C ASP B 69 -6.544 -5.295 -5.173 1.00 0.00 C ATOM 2568 O ASP B 69 -6.614 -4.195 -4.673 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.243 -6.240 -7.470 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.305 -5.163 -8.016 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -5.703 -4.471 -8.938 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -4.204 -5.049 -7.503 1.00 0.00 O ATOM 0 H ASP B 69 -7.518 -4.174 -8.060 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.062 -6.301 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.668 -7.014 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.774 -6.724 -8.290 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.873 -6.247 -4.591 1.00 0.00 N ATOM 2578 CA PHE B 70 -5.190 -6.000 -3.283 1.00 0.00 C ATOM 2579 C PHE B 70 -3.858 -5.243 -3.478 1.00 0.00 C ATOM 2580 O PHE B 70 -3.424 -4.512 -2.611 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.934 -7.355 -2.582 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.971 -8.485 -3.593 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -6.202 -8.937 -4.085 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -3.782 -9.078 -4.037 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -6.244 -9.978 -5.021 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -3.824 -10.119 -4.973 1.00 0.00 C ATOM 2587 CZ PHE B 70 -5.055 -10.569 -5.465 1.00 0.00 C ATOM 0 H PHE B 70 -5.765 -7.191 -4.963 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.836 -5.377 -2.664 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.966 -7.337 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.687 -7.522 -1.812 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -7.120 -8.482 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.832 -8.732 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -7.194 -10.325 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.907 -10.575 -5.315 1.00 0.00 H new ATOM 0 HZ PHE B 70 -5.087 -11.372 -6.187 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.197 -5.436 -4.585 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.887 -4.760 -4.811 1.00 0.00 C ATOM 2599 C GLN B 71 -2.112 -3.286 -5.155 1.00 0.00 C ATOM 2600 O GLN B 71 -1.365 -2.412 -4.743 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.157 -5.460 -5.968 1.00 0.00 C ATOM 2602 CG GLN B 71 0.119 -4.698 -6.308 1.00 0.00 C ATOM 2603 CD GLN B 71 0.986 -5.546 -7.241 1.00 0.00 C ATOM 2604 OE1 GLN B 71 1.202 -6.715 -6.992 1.00 0.00 O ATOM 2605 NE2 GLN B 71 1.493 -5.004 -8.314 1.00 0.00 N ATOM 0 H GLN B 71 -3.509 -6.037 -5.348 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.284 -4.820 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.916 -6.486 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -1.806 -5.510 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.127 -3.749 -6.785 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.669 -4.463 -5.397 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.312 -4.022 -8.524 1.00 0.00 H new ATOM 0 HE22 GLN B 71 2.070 -5.562 -8.943 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.148 -2.995 -5.882 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.439 -1.582 -6.242 1.00 0.00 C ATOM 2616 C GLU B 72 -4.240 -0.952 -5.106 1.00 0.00 C ATOM 2617 O GLU B 72 -4.058 0.198 -4.766 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.220 -1.585 -7.569 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.025 -0.290 -7.776 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.777 -0.384 -9.102 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.129 -0.365 -10.135 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.993 -0.482 -9.060 1.00 0.00 O ATOM 0 H GLU B 72 -3.812 -3.679 -6.246 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.530 -0.996 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.524 -1.714 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -4.898 -2.438 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.726 -0.146 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.358 0.572 -7.781 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.119 -1.700 -4.507 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.920 -1.142 -3.386 1.00 0.00 C ATOM 2631 C PHE B 73 -4.968 -0.545 -2.357 1.00 0.00 C ATOM 2632 O PHE B 73 -5.141 0.564 -1.903 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.743 -2.268 -2.759 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.257 -1.906 -1.380 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.569 -0.578 -1.038 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.445 -2.927 -0.442 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.062 -0.285 0.239 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.939 -2.631 0.828 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.248 -1.314 1.170 1.00 0.00 C ATOM 0 H PHE B 73 -5.318 -2.672 -4.744 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.595 -0.365 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.586 -2.504 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.132 -3.168 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.429 0.214 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.207 -3.948 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.299 0.734 0.506 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.083 -3.423 1.548 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.631 -1.088 2.154 1.00 0.00 H new ATOM 2649 N MET B 74 -3.935 -1.244 -1.998 1.00 0.00 N ATOM 2650 CA MET B 74 -2.991 -0.651 -1.021 1.00 0.00 C ATOM 2651 C MET B 74 -2.528 0.672 -1.614 1.00 0.00 C ATOM 2652 O MET B 74 -2.446 1.684 -0.947 1.00 0.00 O ATOM 2653 CB MET B 74 -1.794 -1.590 -0.809 1.00 0.00 C ATOM 2654 CG MET B 74 -1.105 -1.322 0.558 1.00 0.00 C ATOM 2655 SD MET B 74 -1.453 -2.679 1.712 1.00 0.00 S ATOM 2656 CE MET B 74 0.086 -2.596 2.669 1.00 0.00 C ATOM 0 H MET B 74 -3.706 -2.181 -2.330 1.00 0.00 H new ATOM 0 HA MET B 74 -3.466 -0.500 -0.052 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.129 -2.626 -0.853 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.074 -1.453 -1.615 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.029 -1.221 0.418 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.462 -0.380 0.975 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.089 -3.384 3.422 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.937 -2.728 2.001 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.157 -1.625 3.160 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.226 0.656 -2.881 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.766 1.914 -3.536 1.00 0.00 C ATOM 2668 C ALA B 75 -2.780 3.033 -3.256 1.00 0.00 C ATOM 2669 O ALA B 75 -2.462 4.202 -3.357 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.621 1.682 -5.045 1.00 0.00 C ATOM 0 H ALA B 75 -2.276 -0.163 -3.487 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.797 2.209 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.285 2.602 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.891 0.892 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.584 1.387 -5.462 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.992 2.696 -2.894 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.984 3.779 -2.605 1.00 0.00 C ATOM 2678 C PHE B 76 -4.636 4.423 -1.265 1.00 0.00 C ATOM 2679 O PHE B 76 -4.435 5.616 -1.184 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.425 3.236 -2.574 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.361 4.302 -2.029 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.407 5.572 -2.622 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.174 4.022 -0.917 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.258 6.554 -2.106 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.027 5.009 -0.409 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.066 6.273 -1.003 1.00 0.00 C ATOM 0 H PHE B 76 -4.334 1.741 -2.787 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.933 4.520 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.736 2.944 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.474 2.342 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.785 5.791 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.141 3.046 -0.455 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.290 7.532 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.655 4.793 0.443 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.723 7.034 -0.608 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.536 3.651 -0.215 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.172 4.255 1.099 1.00 0.00 C ATOM 2698 C VAL B 77 -2.864 5.027 0.920 1.00 0.00 C ATOM 2699 O VAL B 77 -2.591 5.997 1.594 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.986 3.154 2.148 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.405 3.761 3.424 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.340 2.515 2.469 1.00 0.00 C ATOM 0 H VAL B 77 -4.688 2.642 -0.209 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.963 4.924 1.438 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.307 2.396 1.757 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.272 2.979 4.171 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.441 4.219 3.203 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.087 4.519 3.810 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.205 1.732 3.215 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.018 3.275 2.858 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.762 2.083 1.562 1.00 0.00 H new ATOM 2712 N SER B 78 -2.060 4.591 -0.001 1.00 0.00 N ATOM 2713 CA SER B 78 -0.771 5.274 -0.268 1.00 0.00 C ATOM 2714 C SER B 78 -1.064 6.652 -0.842 1.00 0.00 C ATOM 2715 O SER B 78 -0.363 7.608 -0.596 1.00 0.00 O ATOM 2716 CB SER B 78 0.016 4.456 -1.287 1.00 0.00 C ATOM 2717 OG SER B 78 1.378 4.860 -1.266 1.00 0.00 O ATOM 0 H SER B 78 -2.244 3.778 -0.589 1.00 0.00 H new ATOM 0 HA SER B 78 -0.192 5.371 0.650 1.00 0.00 H new ATOM 0 HB2 SER B 78 -0.063 3.394 -1.056 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.401 4.598 -2.284 1.00 0.00 H new ATOM 0 HG SER B 78 1.873 4.378 -1.961 1.00 0.00 H new ATOM 2723 N MET B 79 -2.108 6.747 -1.609 1.00 0.00 N ATOM 2724 CA MET B 79 -2.483 8.049 -2.224 1.00 0.00 C ATOM 2725 C MET B 79 -3.124 8.956 -1.175 1.00 0.00 C ATOM 2726 O MET B 79 -2.948 10.159 -1.195 1.00 0.00 O ATOM 2727 CB MET B 79 -3.484 7.787 -3.354 1.00 0.00 C ATOM 2728 CG MET B 79 -3.788 9.082 -4.124 1.00 0.00 C ATOM 2729 SD MET B 79 -5.434 8.948 -4.873 1.00 0.00 S ATOM 2730 CE MET B 79 -4.979 9.418 -6.559 1.00 0.00 C ATOM 0 H MET B 79 -2.727 5.970 -1.840 1.00 0.00 H new ATOM 0 HA MET B 79 -1.593 8.540 -2.617 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.081 7.039 -4.037 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.407 7.379 -2.941 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.749 9.939 -3.451 1.00 0.00 H new ATOM 0 HG3 MET B 79 -3.035 9.248 -4.895 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.824 9.246 -7.225 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.708 10.473 -6.582 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.130 8.818 -6.887 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.854 8.399 -0.251 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.483 9.242 0.797 1.00 0.00 C ATOM 2742 C VAL B 80 -3.435 9.449 1.873 1.00 0.00 C ATOM 2743 O VAL B 80 -3.380 10.470 2.529 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.746 8.555 1.379 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.437 7.726 0.298 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.390 7.637 2.561 1.00 0.00 C ATOM 0 H VAL B 80 -4.041 7.399 -0.178 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.811 10.196 0.383 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.414 9.340 1.733 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.322 7.248 0.717 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.731 8.376 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.751 6.962 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.297 7.171 2.946 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.699 6.864 2.226 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.921 8.225 3.350 1.00 0.00 H new ATOM 2756 N THR B 81 -2.587 8.475 2.045 1.00 0.00 N ATOM 2757 CA THR B 81 -1.526 8.606 3.063 1.00 0.00 C ATOM 2758 C THR B 81 -0.492 9.581 2.538 1.00 0.00 C ATOM 2759 O THR B 81 0.118 10.318 3.285 1.00 0.00 O ATOM 2760 CB THR B 81 -0.859 7.249 3.305 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.802 6.354 3.877 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.343 7.413 4.250 1.00 0.00 C ATOM 0 H THR B 81 -2.588 7.599 1.523 1.00 0.00 H new ATOM 0 HA THR B 81 -1.953 8.960 4.001 1.00 0.00 H new ATOM 0 HB THR B 81 -0.507 6.848 2.354 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.547 6.222 3.254 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.811 6.442 4.416 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.068 8.093 3.802 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.004 7.820 5.203 1.00 0.00 H new ATOM 2770 N THR B 82 -0.255 9.579 1.253 1.00 0.00 N ATOM 2771 CA THR B 82 0.776 10.495 0.703 1.00 0.00 C ATOM 2772 C THR B 82 0.267 11.934 0.654 1.00 0.00 C ATOM 2773 O THR B 82 1.018 12.860 0.891 1.00 0.00 O ATOM 2774 CB THR B 82 1.149 10.028 -0.701 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.034 9.770 -1.438 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.998 8.749 -0.606 1.00 0.00 C ATOM 0 H THR B 82 -0.727 8.988 0.569 1.00 0.00 H new ATOM 0 HA THR B 82 1.651 10.473 1.353 1.00 0.00 H new ATOM 0 HB THR B 82 1.726 10.802 -1.207 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.299 8.834 -1.315 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.265 8.414 -1.608 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.905 8.956 -0.039 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.426 7.969 -0.104 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.988 12.161 0.364 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.474 13.564 0.328 1.00 0.00 C ATOM 2786 C ALA B 83 -1.317 14.166 1.718 1.00 0.00 C ATOM 2787 O ALA B 83 -0.831 15.268 1.876 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.950 13.587 -0.073 1.00 0.00 C ATOM 0 H ALA B 83 -1.684 11.446 0.154 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.899 14.139 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.304 14.618 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.066 13.139 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.533 13.021 0.653 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.712 13.447 2.734 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.562 13.993 4.110 1.00 0.00 C ATOM 2796 C CYS B 84 -0.071 14.115 4.424 1.00 0.00 C ATOM 2797 O CYS B 84 0.325 14.715 5.403 1.00 0.00 O ATOM 2798 CB CYS B 84 -2.235 13.061 5.122 1.00 0.00 C ATOM 2799 SG CYS B 84 -1.320 11.505 5.221 1.00 0.00 S ATOM 0 H CYS B 84 -2.127 12.517 2.671 1.00 0.00 H new ATOM 0 HA CYS B 84 -2.038 14.972 4.174 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.269 13.537 6.102 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -3.266 12.869 4.825 1.00 0.00 H new ATOM 0 HG CYS B 84 -0.700 11.294 4.098 1.00 0.00 H new ATOM 2805 N HIS B 85 0.762 13.548 3.585 1.00 0.00 N ATOM 2806 CA HIS B 85 2.237 13.624 3.808 1.00 0.00 C ATOM 2807 C HIS B 85 2.824 14.745 2.946 1.00 0.00 C ATOM 2808 O HIS B 85 3.719 15.456 3.359 1.00 0.00 O ATOM 2809 CB HIS B 85 2.882 12.290 3.412 1.00 0.00 C ATOM 2810 CG HIS B 85 4.270 12.213 3.990 1.00 0.00 C ATOM 2811 ND1 HIS B 85 4.503 12.320 5.350 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.503 12.045 3.408 1.00 0.00 C ATOM 2813 CE1 HIS B 85 5.829 12.216 5.545 1.00 0.00 C ATOM 2814 NE2 HIS B 85 6.488 12.048 4.392 1.00 0.00 N ATOM 0 H HIS B 85 0.480 13.033 2.751 1.00 0.00 H new ATOM 0 HA HIS B 85 2.436 13.828 4.860 1.00 0.00 H new ATOM 0 HB2 HIS B 85 2.278 11.459 3.777 1.00 0.00 H new ATOM 0 HB3 HIS B 85 2.923 12.202 2.326 1.00 0.00 H new ATOM 0 HD1 HIS B 85 3.796 12.454 6.073 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.681 11.928 2.349 1.00 0.00 H new ATOM 0 HE1 HIS B 85 6.305 12.262 6.514 1.00 0.00 H new ATOM 2822 N GLU B 86 2.329 14.907 1.747 1.00 0.00 N ATOM 2823 CA GLU B 86 2.864 15.981 0.862 1.00 0.00 C ATOM 2824 C GLU B 86 2.495 17.344 1.442 1.00 0.00 C ATOM 2825 O GLU B 86 3.333 18.210 1.601 1.00 0.00 O ATOM 2826 CB GLU B 86 2.263 15.833 -0.541 1.00 0.00 C ATOM 2827 CG GLU B 86 2.903 16.849 -1.495 1.00 0.00 C ATOM 2828 CD GLU B 86 4.389 16.528 -1.669 1.00 0.00 C ATOM 2829 OE1 GLU B 86 4.696 15.637 -2.444 1.00 0.00 O ATOM 2830 OE2 GLU B 86 5.194 17.178 -1.025 1.00 0.00 O ATOM 0 H GLU B 86 1.580 14.344 1.344 1.00 0.00 H new ATOM 0 HA GLU B 86 3.949 15.898 0.798 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.427 14.821 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.185 15.987 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU B 86 2.400 16.822 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU B 86 2.783 17.858 -1.101 1.00 0.00 H new ATOM 2837 N PHE B 87 1.250 17.542 1.768 1.00 0.00 N ATOM 2838 CA PHE B 87 0.833 18.849 2.347 1.00 0.00 C ATOM 2839 C PHE B 87 1.672 19.127 3.593 1.00 0.00 C ATOM 2840 O PHE B 87 2.145 20.225 3.807 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.648 18.795 2.732 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.100 20.165 3.181 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.387 21.152 2.230 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.229 20.450 4.545 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.803 22.423 2.644 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -1.645 21.721 4.959 1.00 0.00 C ATOM 2847 CZ PHE B 87 -1.932 22.708 4.009 1.00 0.00 C ATOM 0 H PHE B 87 0.503 16.856 1.659 1.00 0.00 H new ATOM 0 HA PHE B 87 0.982 19.641 1.613 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.244 18.464 1.882 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.801 18.069 3.531 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.287 20.933 1.177 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -1.008 19.689 5.279 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.025 23.184 1.910 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.745 21.940 6.012 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.253 23.689 4.328 1.00 0.00 H new ATOM 2857 N PHE B 88 1.865 18.131 4.414 1.00 0.00 N ATOM 2858 CA PHE B 88 2.677 18.324 5.647 1.00 0.00 C ATOM 2859 C PHE B 88 4.104 18.719 5.262 1.00 0.00 C ATOM 2860 O PHE B 88 4.789 19.399 5.999 1.00 0.00 O ATOM 2861 CB PHE B 88 2.707 17.014 6.438 1.00 0.00 C ATOM 2862 CG PHE B 88 3.337 17.253 7.791 1.00 0.00 C ATOM 2863 CD1 PHE B 88 2.632 17.956 8.774 1.00 0.00 C ATOM 2864 CD2 PHE B 88 4.625 16.770 8.063 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.212 18.177 10.029 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.204 16.990 9.319 1.00 0.00 C ATOM 2867 CZ PHE B 88 4.498 17.693 10.301 1.00 0.00 C ATOM 0 H PHE B 88 1.494 17.190 4.283 1.00 0.00 H new ATOM 0 HA PHE B 88 2.236 19.112 6.257 1.00 0.00 H new ATOM 0 HB2 PHE B 88 1.695 16.628 6.560 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.272 16.260 5.891 1.00 0.00 H new ATOM 0 HD1 PHE B 88 1.640 18.328 8.565 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.170 16.229 7.304 1.00 0.00 H new ATOM 0 HE1 PHE B 88 2.668 18.721 10.787 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.195 16.617 9.529 1.00 0.00 H new ATOM 0 HZ PHE B 88 4.945 17.863 11.269 1.00 0.00 H new