USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 22 THR OG1 : rot -110:sc= -5.39! USER MOD Set 1.2: A 41 LYS NZ :NH3+ -144:sc= -0.45 (180deg=-2.07!) USER MOD Set 2.1: A 35 ASN : amide:sc= -28.8! C(o=-75!,f=-90!) USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.219 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -46.3! C(o=-75!,f=-86!) USER MOD Set 2.4: A 76 THR OG1 : rot 107:sc= 0.204 USER MOD Set 3.1: A 27 LYS NZ :NH3+ -115:sc= -12.6! (180deg=-1.43!) USER MOD Set 3.2: A 117 HIS : no HD1:sc= -16.3! C(o=-29!,f=-15!) USER MOD Single : A 4 GLN : amide:sc= -3.97! C(o=-4!,f=-14!) USER MOD Single : A 6 TYR OH : rot 30:sc= -4.13! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.438 USER MOD Single : A 11 SER OG : rot -84:sc= -19.1! USER MOD Single : A 16 TYR OH : rot -130:sc= -0.854 USER MOD Single : A 20 HIS : no HE2:sc= -30.5! C(o=-30!,f=-27!) USER MOD Single : A 21 SER OG : rot 130:sc= -2.74! USER MOD Single : A 24 SER OG : rot 170:sc= 0.0128 USER MOD Single : A 26 MET CE :methyl 133:sc= -20.8! (180deg=-28.6!) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0.669 (180deg=0.176) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -1.45 (180deg=-2.21!) USER MOD Single : A 44 ASN : amide:sc= -17.1! C(o=-17!,f=-20!) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -5.41! (180deg=-7.71!) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= -0.502 (180deg=-0.509) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -160:sc= 0.00503 USER MOD Single : A 63 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -18.1! C(o=-18!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -2.92! (180deg=-3.17!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -29.8! C(o=-30!,f=-22!) USER MOD Single : A 81 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.4!) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= 0.232 (180deg=-0.337) USER MOD Single : A 85 GLN : amide:sc= -0.84 K(o=-0.84,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 95:sc= -1.87! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.8) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HE2:sc= -0.949 K(o=-0.95,f=-7.9!) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N GLN A 4 -2.085 -2.872 8.465 1.00 1.00 N ATOM 27 CA GLN A 4 -1.940 -1.549 7.794 1.00 1.00 C ATOM 28 C GLN A 4 -2.326 -1.661 6.316 1.00 1.00 C ATOM 29 O GLN A 4 -2.761 -2.695 5.853 1.00 1.00 O ATOM 30 CB GLN A 4 -0.461 -1.192 7.937 1.00 1.00 C ATOM 31 CG GLN A 4 -0.314 0.002 8.881 1.00 1.00 C ATOM 32 CD GLN A 4 -1.499 0.951 8.694 1.00 1.00 C ATOM 33 OE1 GLN A 4 -1.992 1.117 7.596 1.00 1.00 O ATOM 34 NE2 GLN A 4 -1.980 1.586 9.727 1.00 1.00 N ATOM 0 HA GLN A 4 -2.586 -0.789 8.234 1.00 1.00 H new ATOM 0 HB2 GLN A 4 0.094 -2.046 8.324 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.038 -0.952 6.962 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -0.270 -0.342 9.914 1.00 1.00 H new ATOM 0 HG3 GLN A 4 0.620 0.526 8.679 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -1.567 1.447 10.649 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -2.770 2.221 9.613 1.00 1.00 H new ATOM 43 N ILE A 5 -2.165 -0.601 5.572 1.00 1.00 N ATOM 44 CA ILE A 5 -2.517 -0.644 4.124 1.00 1.00 C ATOM 45 C ILE A 5 -1.253 -0.499 3.271 1.00 1.00 C ATOM 46 O ILE A 5 -0.856 0.592 2.913 1.00 1.00 O ATOM 47 CB ILE A 5 -3.450 0.546 3.909 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.897 0.054 3.837 1.00 1.00 C ATOM 49 CG2 ILE A 5 -3.088 1.251 2.601 1.00 1.00 C ATOM 50 CD1 ILE A 5 -5.295 -0.564 5.180 1.00 1.00 C ATOM 0 H ILE A 5 -1.805 0.294 5.904 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.987 -1.585 3.839 1.00 1.00 H new ATOM 0 HB ILE A 5 -3.343 1.244 4.740 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -5.562 0.883 3.595 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -5.002 -0.683 3.040 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.754 2.100 2.449 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -2.058 1.603 2.650 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -3.194 0.553 1.770 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -6.326 -0.914 5.128 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -4.637 -1.404 5.403 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -5.206 0.186 5.966 1.00 1.00 H new ATOM 62 N TYR A 6 -0.614 -1.591 2.949 1.00 1.00 N ATOM 63 CA TYR A 6 0.626 -1.515 2.124 1.00 1.00 C ATOM 64 C TYR A 6 0.322 -0.894 0.759 1.00 1.00 C ATOM 65 O TYR A 6 -0.820 -0.757 0.367 1.00 1.00 O ATOM 66 CB TYR A 6 1.084 -2.965 1.963 1.00 1.00 C ATOM 67 CG TYR A 6 0.362 -3.836 2.962 1.00 1.00 C ATOM 68 CD1 TYR A 6 0.511 -3.599 4.335 1.00 1.00 C ATOM 69 CD2 TYR A 6 -0.459 -4.880 2.518 1.00 1.00 C ATOM 70 CE1 TYR A 6 -0.158 -4.406 5.262 1.00 1.00 C ATOM 71 CE2 TYR A 6 -1.128 -5.687 3.446 1.00 1.00 C ATOM 72 CZ TYR A 6 -0.978 -5.450 4.817 1.00 1.00 C ATOM 73 OH TYR A 6 -1.637 -6.246 5.732 1.00 1.00 O ATOM 0 H TYR A 6 -0.897 -2.532 3.221 1.00 1.00 H new ATOM 0 HA TYR A 6 1.391 -0.894 2.589 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.881 -3.311 0.950 1.00 1.00 H new ATOM 0 HB3 TYR A 6 2.161 -3.036 2.114 1.00 1.00 H new ATOM 0 HD1 TYR A 6 1.143 -2.793 4.678 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -0.576 -5.063 1.460 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -0.042 -4.224 6.320 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -1.760 -6.493 3.104 1.00 1.00 H new ATOM 0 HH TYR A 6 -1.833 -5.724 6.538 1.00 1.00 H new ATOM 83 N SER A 7 1.338 -0.517 0.031 1.00 1.00 N ATOM 84 CA SER A 7 1.111 0.096 -1.310 1.00 1.00 C ATOM 85 C SER A 7 1.746 -0.766 -2.404 1.00 1.00 C ATOM 86 O SER A 7 2.735 -1.437 -2.184 1.00 1.00 O ATOM 87 CB SER A 7 1.792 1.462 -1.240 1.00 1.00 C ATOM 88 OG SER A 7 1.703 2.095 -2.511 1.00 1.00 O ATOM 0 H SER A 7 2.316 -0.607 0.307 1.00 1.00 H new ATOM 0 HA SER A 7 0.051 0.180 -1.551 1.00 1.00 H new ATOM 0 HB2 SER A 7 1.316 2.080 -0.479 1.00 1.00 H new ATOM 0 HB3 SER A 7 2.836 1.347 -0.950 1.00 1.00 H new ATOM 0 HG SER A 7 2.137 2.973 -2.470 1.00 1.00 H new ATOM 94 N ALA A 8 1.185 -0.753 -3.582 1.00 1.00 N ATOM 95 CA ALA A 8 1.755 -1.569 -4.692 1.00 1.00 C ATOM 96 C ALA A 8 1.524 -0.865 -6.033 1.00 1.00 C ATOM 97 O ALA A 8 0.630 -0.055 -6.170 1.00 1.00 O ATOM 98 CB ALA A 8 0.992 -2.893 -4.643 1.00 1.00 C ATOM 0 H ALA A 8 0.355 -0.212 -3.824 1.00 1.00 H new ATOM 0 HA ALA A 8 2.830 -1.716 -4.589 1.00 1.00 H new ATOM 0 HB1 ALA A 8 1.355 -3.551 -5.432 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.148 -3.367 -3.674 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.072 -2.705 -4.788 1.00 1.00 H new ATOM 104 N ARG A 9 2.323 -1.165 -7.021 1.00 1.00 N ATOM 105 CA ARG A 9 2.141 -0.505 -8.345 1.00 1.00 C ATOM 106 C ARG A 9 2.195 -1.539 -9.473 1.00 1.00 C ATOM 107 O ARG A 9 3.211 -2.161 -9.711 1.00 1.00 O ATOM 108 CB ARG A 9 3.307 0.478 -8.463 1.00 1.00 C ATOM 109 CG ARG A 9 3.635 0.707 -9.940 1.00 1.00 C ATOM 110 CD ARG A 9 3.384 2.174 -10.297 1.00 1.00 C ATOM 111 NE ARG A 9 4.739 2.749 -10.529 1.00 1.00 N ATOM 112 CZ ARG A 9 5.576 2.143 -11.325 1.00 1.00 C ATOM 113 NH1 ARG A 9 5.230 1.033 -11.916 1.00 1.00 N ATOM 114 NH2 ARG A 9 6.762 2.649 -11.531 1.00 1.00 N ATOM 0 H ARG A 9 3.090 -1.835 -6.969 1.00 1.00 H new ATOM 0 HA ARG A 9 1.175 -0.006 -8.423 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.049 1.424 -7.986 1.00 1.00 H new ATOM 0 HB3 ARG A 9 4.181 0.086 -7.942 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.675 0.446 -10.137 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.020 0.059 -10.565 1.00 1.00 H new ATOM 0 HD2 ARG A 9 2.759 2.263 -11.186 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.867 2.694 -9.491 1.00 1.00 H new ATOM 0 HE ARG A 9 5.012 3.616 -10.066 1.00 1.00 H new ATOM 0 HH11 ARG A 9 4.304 0.637 -11.756 1.00 1.00 H new ATOM 0 HH12 ARG A 9 5.886 0.561 -12.538 1.00 1.00 H new ATOM 0 HH21 ARG A 9 7.033 3.517 -11.070 1.00 1.00 H new ATOM 0 HH22 ARG A 9 7.417 2.176 -12.153 1.00 1.00 H new ATOM 127 N TYR A 10 1.107 -1.725 -10.168 1.00 1.00 N ATOM 128 CA TYR A 10 1.092 -2.715 -11.282 1.00 1.00 C ATOM 129 C TYR A 10 0.202 -2.213 -12.423 1.00 1.00 C ATOM 130 O TYR A 10 -0.583 -1.301 -12.255 1.00 1.00 O ATOM 131 CB TYR A 10 0.511 -3.991 -10.669 1.00 1.00 C ATOM 132 CG TYR A 10 1.165 -4.249 -9.333 1.00 1.00 C ATOM 133 CD1 TYR A 10 2.538 -4.515 -9.265 1.00 1.00 C ATOM 134 CD2 TYR A 10 0.399 -4.220 -8.162 1.00 1.00 C ATOM 135 CE1 TYR A 10 3.144 -4.754 -8.027 1.00 1.00 C ATOM 136 CE2 TYR A 10 1.006 -4.459 -6.922 1.00 1.00 C ATOM 137 CZ TYR A 10 2.378 -4.726 -6.855 1.00 1.00 C ATOM 138 OH TYR A 10 2.976 -4.961 -5.634 1.00 1.00 O ATOM 0 H TYR A 10 0.227 -1.234 -10.013 1.00 1.00 H new ATOM 0 HA TYR A 10 2.084 -2.880 -11.703 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.567 -3.890 -10.545 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.677 -4.836 -11.337 1.00 1.00 H new ATOM 0 HD1 TYR A 10 3.129 -4.536 -10.169 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -0.660 -4.013 -8.214 1.00 1.00 H new ATOM 0 HE1 TYR A 10 4.203 -4.960 -7.975 1.00 1.00 H new ATOM 0 HE2 TYR A 10 0.415 -4.437 -6.018 1.00 1.00 H new ATOM 0 HH TYR A 10 3.909 -4.663 -5.664 1.00 1.00 H new ATOM 148 N SER A 11 0.316 -2.803 -13.580 1.00 1.00 N ATOM 149 CA SER A 11 -0.525 -2.363 -14.730 1.00 1.00 C ATOM 150 C SER A 11 -0.315 -0.870 -15.004 1.00 1.00 C ATOM 151 O SER A 11 -1.208 -0.181 -15.458 1.00 1.00 O ATOM 152 CB SER A 11 -1.964 -2.632 -14.291 1.00 1.00 C ATOM 153 OG SER A 11 -2.063 -3.963 -13.803 1.00 1.00 O ATOM 0 H SER A 11 0.956 -3.572 -13.780 1.00 1.00 H new ATOM 0 HA SER A 11 -0.273 -2.890 -15.651 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.258 -1.925 -13.516 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.646 -2.488 -15.129 1.00 1.00 H new ATOM 0 HG SER A 11 -2.198 -4.578 -14.554 1.00 1.00 H new ATOM 159 N GLY A 12 0.860 -0.365 -14.740 1.00 1.00 N ATOM 160 CA GLY A 12 1.126 1.080 -14.993 1.00 1.00 C ATOM 161 C GLY A 12 0.392 1.933 -13.957 1.00 1.00 C ATOM 162 O GLY A 12 0.573 3.134 -13.888 1.00 1.00 O ATOM 0 H GLY A 12 1.647 -0.891 -14.360 1.00 1.00 H new ATOM 0 HA2 GLY A 12 2.197 1.275 -14.945 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.798 1.349 -15.997 1.00 1.00 H new ATOM 166 N VAL A 13 -0.434 1.327 -13.150 1.00 1.00 N ATOM 167 CA VAL A 13 -1.178 2.109 -12.122 1.00 1.00 C ATOM 168 C VAL A 13 -0.866 1.573 -10.724 1.00 1.00 C ATOM 169 O VAL A 13 -0.952 0.387 -10.471 1.00 1.00 O ATOM 170 CB VAL A 13 -2.654 1.902 -12.460 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.466 3.099 -11.962 1.00 1.00 C ATOM 172 CG2 VAL A 13 -2.816 1.771 -13.976 1.00 1.00 C ATOM 0 H VAL A 13 -0.626 0.325 -13.157 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.904 3.164 -12.125 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.013 0.994 -11.976 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.518 2.951 -12.204 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.351 3.193 -10.882 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.108 4.008 -12.445 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -3.868 1.623 -14.218 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.456 2.679 -14.460 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.239 0.917 -14.331 1.00 1.00 H new ATOM 182 N ASP A 14 -0.496 2.432 -9.814 1.00 1.00 N ATOM 183 CA ASP A 14 -0.169 1.964 -8.436 1.00 1.00 C ATOM 184 C ASP A 14 -1.449 1.761 -7.621 1.00 1.00 C ATOM 185 O ASP A 14 -2.480 2.337 -7.906 1.00 1.00 O ATOM 186 CB ASP A 14 0.680 3.083 -7.831 1.00 1.00 C ATOM 187 CG ASP A 14 0.303 4.417 -8.477 1.00 1.00 C ATOM 188 OD1 ASP A 14 -0.169 4.396 -9.602 1.00 1.00 O ATOM 189 OD2 ASP A 14 0.494 5.438 -7.836 1.00 1.00 O ATOM 0 H ASP A 14 -0.406 3.437 -9.964 1.00 1.00 H new ATOM 0 HA ASP A 14 0.355 1.008 -8.440 1.00 1.00 H new ATOM 0 HB2 ASP A 14 0.522 3.131 -6.754 1.00 1.00 H new ATOM 0 HB3 ASP A 14 1.739 2.877 -7.989 1.00 1.00 H new ATOM 194 N VAL A 15 -1.387 0.937 -6.612 1.00 1.00 N ATOM 195 CA VAL A 15 -2.593 0.681 -5.773 1.00 1.00 C ATOM 196 C VAL A 15 -2.170 0.361 -4.336 1.00 1.00 C ATOM 197 O VAL A 15 -0.998 0.312 -4.022 1.00 1.00 O ATOM 198 CB VAL A 15 -3.274 -0.528 -6.415 1.00 1.00 C ATOM 199 CG1 VAL A 15 -2.860 -0.628 -7.884 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.849 -1.801 -5.679 1.00 1.00 C ATOM 0 H VAL A 15 -0.549 0.427 -6.331 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.259 1.543 -5.727 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.356 -0.412 -6.350 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -3.346 -1.490 -8.341 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -3.160 0.279 -8.409 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -1.778 -0.744 -7.950 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -3.334 -2.664 -6.135 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.767 -1.915 -5.745 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -3.143 -1.731 -4.632 1.00 1.00 H new ATOM 210 N TYR A 16 -3.113 0.130 -3.465 1.00 1.00 N ATOM 211 CA TYR A 16 -2.760 -0.199 -2.053 1.00 1.00 C ATOM 212 C TYR A 16 -3.361 -1.555 -1.678 1.00 1.00 C ATOM 213 O TYR A 16 -4.488 -1.854 -2.015 1.00 1.00 O ATOM 214 CB TYR A 16 -3.382 0.917 -1.214 1.00 1.00 C ATOM 215 CG TYR A 16 -3.897 2.006 -2.124 1.00 1.00 C ATOM 216 CD1 TYR A 16 -3.121 2.440 -3.205 1.00 1.00 C ATOM 217 CD2 TYR A 16 -5.151 2.581 -1.887 1.00 1.00 C ATOM 218 CE1 TYR A 16 -3.599 3.450 -4.050 1.00 1.00 C ATOM 219 CE2 TYR A 16 -5.629 3.591 -2.732 1.00 1.00 C ATOM 220 CZ TYR A 16 -4.853 4.025 -3.813 1.00 1.00 C ATOM 221 OH TYR A 16 -5.324 5.020 -4.645 1.00 1.00 O ATOM 0 H TYR A 16 -4.112 0.154 -3.668 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.684 -0.266 -1.895 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.196 0.520 -0.608 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.642 1.324 -0.525 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -2.154 1.996 -3.388 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -5.750 2.246 -1.053 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -3.000 3.785 -4.884 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -6.596 4.035 -2.549 1.00 1.00 H new ATOM 0 HH TYR A 16 -5.632 5.779 -4.106 1.00 1.00 H new ATOM 231 N GLU A 17 -2.623 -2.382 -0.990 1.00 1.00 N ATOM 232 CA GLU A 17 -3.167 -3.718 -0.611 1.00 1.00 C ATOM 233 C GLU A 17 -3.195 -3.877 0.911 1.00 1.00 C ATOM 234 O GLU A 17 -2.172 -3.894 1.565 1.00 1.00 O ATOM 235 CB GLU A 17 -2.206 -4.730 -1.235 1.00 1.00 C ATOM 236 CG GLU A 17 -1.181 -5.173 -0.189 1.00 1.00 C ATOM 237 CD GLU A 17 -0.407 -6.385 -0.713 1.00 1.00 C ATOM 238 OE1 GLU A 17 -1.015 -7.211 -1.372 1.00 1.00 O ATOM 239 OE2 GLU A 17 0.781 -6.465 -0.446 1.00 1.00 O ATOM 0 H GLU A 17 -1.672 -2.193 -0.675 1.00 1.00 H new ATOM 0 HA GLU A 17 -4.191 -3.854 -0.960 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -2.760 -5.593 -1.605 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.699 -4.286 -2.091 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -0.493 -4.356 0.030 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -1.684 -5.425 0.744 1.00 1.00 H new ATOM 246 N PHE A 18 -4.365 -3.999 1.475 1.00 1.00 N ATOM 247 CA PHE A 18 -4.470 -4.161 2.953 1.00 1.00 C ATOM 248 C PHE A 18 -5.248 -5.437 3.285 1.00 1.00 C ATOM 249 O PHE A 18 -6.118 -5.855 2.546 1.00 1.00 O ATOM 250 CB PHE A 18 -5.234 -2.928 3.434 1.00 1.00 C ATOM 251 CG PHE A 18 -5.764 -2.167 2.242 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.902 -1.814 1.197 1.00 1.00 C ATOM 253 CD2 PHE A 18 -7.117 -1.814 2.183 1.00 1.00 C ATOM 254 CE1 PHE A 18 -5.395 -1.108 0.093 1.00 1.00 C ATOM 255 CE2 PHE A 18 -7.609 -1.108 1.079 1.00 1.00 C ATOM 256 CZ PHE A 18 -6.747 -0.755 0.034 1.00 1.00 C ATOM 0 H PHE A 18 -5.254 -3.994 0.976 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.494 -4.246 3.432 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.057 -3.227 4.083 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.578 -2.288 4.025 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.858 -2.086 1.242 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.782 -2.086 2.989 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -4.731 -0.836 -0.714 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -8.653 -0.836 1.033 1.00 1.00 H new ATOM 0 HZ PHE A 18 -7.126 -0.210 -0.818 1.00 1.00 H new ATOM 266 N ILE A 19 -4.944 -6.061 4.390 1.00 1.00 N ATOM 267 CA ILE A 19 -5.668 -7.306 4.765 1.00 1.00 C ATOM 268 C ILE A 19 -6.992 -6.959 5.449 1.00 1.00 C ATOM 269 O ILE A 19 -7.039 -6.156 6.360 1.00 1.00 O ATOM 270 CB ILE A 19 -4.732 -8.026 5.734 1.00 1.00 C ATOM 271 CG1 ILE A 19 -4.580 -7.191 7.006 1.00 1.00 C ATOM 272 CG2 ILE A 19 -3.363 -8.211 5.079 1.00 1.00 C ATOM 273 CD1 ILE A 19 -5.213 -5.816 6.790 1.00 1.00 C ATOM 0 H ILE A 19 -4.225 -5.762 5.049 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.912 -7.923 3.900 1.00 1.00 H new ATOM 0 HB ILE A 19 -5.148 -9.002 5.985 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -5.059 -7.696 7.845 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -3.525 -7.082 7.259 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -2.695 -8.725 5.771 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -3.471 -8.804 4.171 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -2.945 -7.236 4.828 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -5.105 -5.220 7.696 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -4.714 -5.312 5.962 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -6.271 -5.935 6.558 1.00 1.00 H new ATOM 285 N HIS A 20 -8.066 -7.559 5.020 1.00 1.00 N ATOM 286 CA HIS A 20 -9.386 -7.266 5.646 1.00 1.00 C ATOM 287 C HIS A 20 -10.290 -8.498 5.556 1.00 1.00 C ATOM 288 O HIS A 20 -9.857 -9.612 5.776 1.00 1.00 O ATOM 289 CB HIS A 20 -9.967 -6.113 4.829 1.00 1.00 C ATOM 290 CG HIS A 20 -9.207 -4.850 5.129 1.00 1.00 C ATOM 291 ND1 HIS A 20 -9.763 -3.807 5.852 1.00 1.00 N ATOM 292 CD2 HIS A 20 -7.934 -4.447 4.810 1.00 1.00 C ATOM 293 CE1 HIS A 20 -8.835 -2.836 5.943 1.00 1.00 C ATOM 294 NE2 HIS A 20 -7.701 -3.176 5.324 1.00 1.00 N ATOM 0 H HIS A 20 -8.088 -8.241 4.262 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.298 -7.009 6.702 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.907 -6.341 3.765 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -11.022 -5.980 5.068 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -10.704 -3.780 6.244 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -7.221 -5.029 4.245 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -8.988 -1.897 6.454 1.00 1.00 H new ATOM 302 N SER A 21 -11.536 -8.311 5.219 1.00 1.00 N ATOM 303 CA SER A 21 -12.454 -9.479 5.103 1.00 1.00 C ATOM 304 C SER A 21 -11.967 -10.404 3.987 1.00 1.00 C ATOM 305 O SER A 21 -11.972 -11.612 4.119 1.00 1.00 O ATOM 306 CB SER A 21 -13.816 -8.883 4.753 1.00 1.00 C ATOM 307 OG SER A 21 -13.791 -8.412 3.412 1.00 1.00 O ATOM 0 H SER A 21 -11.957 -7.404 5.020 1.00 1.00 H new ATOM 0 HA SER A 21 -12.498 -10.070 6.018 1.00 1.00 H new ATOM 0 HB2 SER A 21 -14.596 -9.635 4.872 1.00 1.00 H new ATOM 0 HB3 SER A 21 -14.054 -8.066 5.434 1.00 1.00 H new ATOM 0 HG SER A 21 -14.568 -8.762 2.928 1.00 1.00 H new ATOM 313 N THR A 22 -11.528 -9.841 2.895 1.00 1.00 N ATOM 314 CA THR A 22 -11.020 -10.677 1.773 1.00 1.00 C ATOM 315 C THR A 22 -9.499 -10.784 1.871 1.00 1.00 C ATOM 316 O THR A 22 -8.834 -11.225 0.955 1.00 1.00 O ATOM 317 CB THR A 22 -11.428 -9.930 0.503 1.00 1.00 C ATOM 318 OG1 THR A 22 -12.626 -10.495 -0.012 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.316 -10.050 -0.541 1.00 1.00 C ATOM 0 H THR A 22 -11.500 -8.835 2.732 1.00 1.00 H new ATOM 0 HA THR A 22 -11.421 -11.691 1.786 1.00 1.00 H new ATOM 0 HB THR A 22 -11.592 -8.878 0.736 1.00 1.00 H new ATOM 0 HG1 THR A 22 -12.431 -10.971 -0.846 1.00 1.00 H new ATOM 0 HG21 THR A 22 -10.608 -9.517 -1.446 1.00 1.00 H new ATOM 0 HG22 THR A 22 -9.397 -9.617 -0.145 1.00 1.00 H new ATOM 0 HG23 THR A 22 -10.150 -11.101 -0.776 1.00 1.00 H new ATOM 327 N GLY A 23 -8.944 -10.368 2.976 1.00 1.00 N ATOM 328 CA GLY A 23 -7.466 -10.425 3.135 1.00 1.00 C ATOM 329 C GLY A 23 -6.869 -9.087 2.697 1.00 1.00 C ATOM 330 O GLY A 23 -7.191 -8.047 3.239 1.00 1.00 O ATOM 0 H GLY A 23 -9.452 -9.991 3.776 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -7.206 -10.632 4.173 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.053 -11.236 2.535 1.00 1.00 H new ATOM 334 N SER A 24 -6.009 -9.102 1.718 1.00 1.00 N ATOM 335 CA SER A 24 -5.396 -7.827 1.244 1.00 1.00 C ATOM 336 C SER A 24 -6.396 -7.047 0.386 1.00 1.00 C ATOM 337 O SER A 24 -7.065 -7.600 -0.464 1.00 1.00 O ATOM 338 CB SER A 24 -4.192 -8.255 0.407 1.00 1.00 C ATOM 339 OG SER A 24 -3.026 -7.602 0.893 1.00 1.00 O ATOM 0 H SER A 24 -5.703 -9.941 1.225 1.00 1.00 H new ATOM 0 HA SER A 24 -5.108 -7.175 2.069 1.00 1.00 H new ATOM 0 HB2 SER A 24 -4.065 -9.336 0.458 1.00 1.00 H new ATOM 0 HB3 SER A 24 -4.354 -8.002 -0.641 1.00 1.00 H new ATOM 0 HG SER A 24 -2.233 -7.991 0.470 1.00 1.00 H new ATOM 345 N ILE A 25 -6.503 -5.764 0.603 1.00 1.00 N ATOM 346 CA ILE A 25 -7.459 -4.949 -0.199 1.00 1.00 C ATOM 347 C ILE A 25 -6.697 -3.982 -1.107 1.00 1.00 C ATOM 348 O ILE A 25 -5.877 -3.207 -0.655 1.00 1.00 O ATOM 349 CB ILE A 25 -8.282 -4.177 0.832 1.00 1.00 C ATOM 350 CG1 ILE A 25 -9.024 -5.163 1.737 1.00 1.00 C ATOM 351 CG2 ILE A 25 -9.297 -3.286 0.112 1.00 1.00 C ATOM 352 CD1 ILE A 25 -9.788 -4.393 2.815 1.00 1.00 C ATOM 0 H ILE A 25 -5.970 -5.245 1.301 1.00 1.00 H new ATOM 0 HA ILE A 25 -8.086 -5.564 -0.844 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.617 -3.559 1.435 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.715 -5.765 1.147 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.317 -5.851 2.200 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.884 -2.735 0.847 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.771 -2.582 -0.533 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.960 -3.905 -0.492 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -10.316 -5.096 3.459 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.087 -3.810 3.412 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -10.507 -3.723 2.343 1.00 1.00 H new ATOM 364 N MET A 26 -6.954 -4.024 -2.386 1.00 1.00 N ATOM 365 CA MET A 26 -6.235 -3.112 -3.323 1.00 1.00 C ATOM 366 C MET A 26 -7.129 -1.930 -3.705 1.00 1.00 C ATOM 367 O MET A 26 -8.312 -1.916 -3.426 1.00 1.00 O ATOM 368 CB MET A 26 -5.927 -3.969 -4.551 1.00 1.00 C ATOM 369 CG MET A 26 -4.432 -4.294 -4.585 1.00 1.00 C ATOM 370 SD MET A 26 -4.081 -5.363 -6.003 1.00 1.00 S ATOM 371 CE MET A 26 -2.334 -5.657 -5.637 1.00 1.00 C ATOM 0 H MET A 26 -7.630 -4.650 -2.823 1.00 1.00 H new ATOM 0 HA MET A 26 -5.331 -2.695 -2.879 1.00 1.00 H new ATOM 0 HB2 MET A 26 -6.509 -4.890 -4.520 1.00 1.00 H new ATOM 0 HB3 MET A 26 -6.216 -3.439 -5.459 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.850 -3.375 -4.656 1.00 1.00 H new ATOM 0 HG3 MET A 26 -4.135 -4.789 -3.660 1.00 1.00 H new ATOM 0 HE1 MET A 26 -2.118 -6.722 -5.726 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.716 -5.101 -6.342 1.00 1.00 H new ATOM 0 HE3 MET A 26 -2.114 -5.326 -4.622 1.00 1.00 H new ATOM 381 N LYS A 27 -6.571 -0.936 -4.342 1.00 1.00 N ATOM 382 CA LYS A 27 -7.388 0.247 -4.743 1.00 1.00 C ATOM 383 C LYS A 27 -6.819 0.878 -6.017 1.00 1.00 C ATOM 384 O LYS A 27 -5.628 0.856 -6.255 1.00 1.00 O ATOM 385 CB LYS A 27 -7.276 1.220 -3.568 1.00 1.00 C ATOM 386 CG LYS A 27 -8.394 0.937 -2.563 1.00 1.00 C ATOM 387 CD LYS A 27 -8.842 2.249 -1.915 1.00 1.00 C ATOM 388 CE LYS A 27 -8.058 2.474 -0.620 1.00 1.00 C ATOM 389 NZ LYS A 27 -7.831 3.945 -0.561 1.00 1.00 N ATOM 0 H LYS A 27 -5.586 -0.891 -4.602 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.423 -0.020 -4.957 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -6.304 1.115 -3.086 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -7.345 2.248 -3.925 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -9.236 0.461 -3.065 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.044 0.243 -1.799 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -8.678 3.080 -2.601 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -9.911 2.216 -1.704 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -8.619 2.126 0.247 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -7.114 1.929 -0.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.812 4.142 -0.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -8.330 4.405 -1.349 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -8.192 4.316 0.341 1.00 1.00 H new ATOM 402 N ARG A 28 -7.664 1.441 -6.838 1.00 1.00 N ATOM 403 CA ARG A 28 -7.173 2.074 -8.097 1.00 1.00 C ATOM 404 C ARG A 28 -6.560 3.445 -7.795 1.00 1.00 C ATOM 405 O ARG A 28 -7.211 4.323 -7.263 1.00 1.00 O ATOM 406 CB ARG A 28 -8.415 2.223 -8.974 1.00 1.00 C ATOM 407 CG ARG A 28 -8.221 1.440 -10.275 1.00 1.00 C ATOM 408 CD ARG A 28 -6.834 0.794 -10.282 1.00 1.00 C ATOM 409 NE ARG A 28 -6.753 0.075 -11.583 1.00 1.00 N ATOM 410 CZ ARG A 28 -5.628 -0.471 -11.959 1.00 1.00 C ATOM 411 NH1 ARG A 28 -4.575 -0.390 -11.193 1.00 1.00 N ATOM 412 NH2 ARG A 28 -5.559 -1.101 -13.101 1.00 1.00 N ATOM 0 H ARG A 28 -8.672 1.490 -6.692 1.00 1.00 H new ATOM 0 HA ARG A 28 -6.399 1.481 -8.584 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -9.293 1.855 -8.444 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.593 3.276 -9.194 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -8.991 0.674 -10.369 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -8.328 2.106 -11.132 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -6.048 1.544 -10.196 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -6.713 0.108 -9.443 1.00 1.00 H new ATOM 0 HE ARG A 28 -7.577 0.009 -12.181 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -4.630 0.100 -10.300 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -3.696 -0.817 -11.487 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -6.383 -1.166 -13.698 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -4.681 -1.528 -13.396 1.00 1.00 H new ATOM 425 N LYS A 29 -5.314 3.635 -8.131 1.00 1.00 N ATOM 426 CA LYS A 29 -4.660 4.949 -7.862 1.00 1.00 C ATOM 427 C LYS A 29 -5.358 6.064 -8.648 1.00 1.00 C ATOM 428 O LYS A 29 -5.624 7.129 -8.128 1.00 1.00 O ATOM 429 CB LYS A 29 -3.222 4.779 -8.340 1.00 1.00 C ATOM 430 CG LYS A 29 -2.281 5.556 -7.419 1.00 1.00 C ATOM 431 CD LYS A 29 -2.625 7.045 -7.475 1.00 1.00 C ATOM 432 CE LYS A 29 -2.716 7.602 -6.053 1.00 1.00 C ATOM 433 NZ LYS A 29 -4.031 8.298 -5.997 1.00 1.00 N ATOM 0 H LYS A 29 -4.720 2.938 -8.580 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.712 5.226 -6.809 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.952 3.723 -8.345 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.124 5.138 -9.364 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.371 5.189 -6.396 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.246 5.399 -7.723 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -1.864 7.584 -8.040 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.572 7.191 -7.995 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.659 6.805 -5.312 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -1.896 8.289 -5.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -4.371 8.318 -5.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -3.924 9.272 -6.346 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -4.718 7.791 -6.591 1.00 1.00 H new ATOM 446 N LYS A 30 -5.653 5.826 -9.897 1.00 1.00 N ATOM 447 CA LYS A 30 -6.331 6.872 -10.715 1.00 1.00 C ATOM 448 C LYS A 30 -7.638 7.307 -10.045 1.00 1.00 C ATOM 449 O LYS A 30 -7.861 8.475 -9.796 1.00 1.00 O ATOM 450 CB LYS A 30 -6.616 6.201 -12.058 1.00 1.00 C ATOM 451 CG LYS A 30 -5.416 6.392 -12.988 1.00 1.00 C ATOM 452 CD LYS A 30 -5.346 7.853 -13.438 1.00 1.00 C ATOM 453 CE LYS A 30 -3.883 8.295 -13.513 1.00 1.00 C ATOM 454 NZ LYS A 30 -3.359 8.129 -12.129 1.00 1.00 N ATOM 0 H LYS A 30 -5.454 4.953 -10.386 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.720 7.767 -10.827 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -6.811 5.139 -11.912 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.511 6.630 -12.509 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.496 6.114 -12.474 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.506 5.737 -13.855 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.822 7.968 -14.412 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.893 8.486 -12.739 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -3.323 7.686 -14.223 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -3.800 9.330 -13.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -2.565 8.783 -11.978 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.114 8.337 -11.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -3.032 7.151 -11.997 1.00 1.00 H new ATOM 467 N ASP A 31 -8.503 6.375 -9.754 1.00 1.00 N ATOM 468 CA ASP A 31 -9.795 6.735 -9.101 1.00 1.00 C ATOM 469 C ASP A 31 -9.789 6.292 -7.635 1.00 1.00 C ATOM 470 O ASP A 31 -10.785 6.380 -6.946 1.00 1.00 O ATOM 471 CB ASP A 31 -10.863 5.976 -9.888 1.00 1.00 C ATOM 472 CG ASP A 31 -11.747 6.972 -10.640 1.00 1.00 C ATOM 473 OD1 ASP A 31 -11.224 7.668 -11.495 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.930 7.022 -10.349 1.00 1.00 O ATOM 0 H ASP A 31 -8.372 5.381 -9.940 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.974 7.810 -9.106 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.392 5.289 -10.591 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.469 5.374 -9.211 1.00 1.00 H new ATOM 479 N ASP A 32 -8.672 5.818 -7.155 1.00 1.00 N ATOM 480 CA ASP A 32 -8.600 5.371 -5.734 1.00 1.00 C ATOM 481 C ASP A 32 -9.866 4.599 -5.351 1.00 1.00 C ATOM 482 O ASP A 32 -10.604 4.997 -4.472 1.00 1.00 O ATOM 483 CB ASP A 32 -8.491 6.659 -4.918 1.00 1.00 C ATOM 484 CG ASP A 32 -7.736 7.715 -5.728 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.433 7.445 -6.878 1.00 1.00 O ATOM 486 OD2 ASP A 32 -7.473 8.774 -5.184 1.00 1.00 O ATOM 0 H ASP A 32 -7.806 5.721 -7.685 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.758 4.702 -5.557 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -9.485 7.025 -4.661 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.971 6.465 -3.980 1.00 1.00 H new ATOM 491 N TRP A 33 -10.121 3.498 -6.002 1.00 1.00 N ATOM 492 CA TRP A 33 -11.338 2.701 -5.671 1.00 1.00 C ATOM 493 C TRP A 33 -11.023 1.701 -4.556 1.00 1.00 C ATOM 494 O TRP A 33 -9.881 1.358 -4.323 1.00 1.00 O ATOM 495 CB TRP A 33 -11.699 1.966 -6.962 1.00 1.00 C ATOM 496 CG TRP A 33 -11.037 2.638 -8.121 1.00 1.00 C ATOM 497 CD1 TRP A 33 -10.474 3.867 -8.087 1.00 1.00 C ATOM 498 CD2 TRP A 33 -10.861 2.143 -9.480 1.00 1.00 C ATOM 499 NE1 TRP A 33 -9.963 4.159 -9.338 1.00 1.00 N ATOM 500 CE2 TRP A 33 -10.177 3.127 -10.231 1.00 1.00 C ATOM 501 CE3 TRP A 33 -11.224 0.948 -10.127 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -9.863 2.933 -11.577 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -10.910 0.750 -11.481 1.00 1.00 C ATOM 504 CH2 TRP A 33 -10.231 1.740 -12.205 1.00 1.00 C ATOM 0 H TRP A 33 -9.541 3.115 -6.748 1.00 1.00 H new ATOM 0 HA TRP A 33 -12.158 3.327 -5.318 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.381 0.925 -6.901 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.780 1.961 -7.100 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -10.431 4.515 -7.224 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.486 5.030 -9.573 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -11.747 0.178 -9.579 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -9.339 3.699 -12.129 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -11.193 -0.171 -11.968 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -9.993 1.581 -13.246 1.00 1.00 H new ATOM 515 N VAL A 34 -12.026 1.226 -3.869 1.00 1.00 N ATOM 516 CA VAL A 34 -11.780 0.244 -2.775 1.00 1.00 C ATOM 517 C VAL A 34 -12.454 -1.088 -3.111 1.00 1.00 C ATOM 518 O VAL A 34 -13.477 -1.128 -3.765 1.00 1.00 O ATOM 519 CB VAL A 34 -12.414 0.868 -1.532 1.00 1.00 C ATOM 520 CG1 VAL A 34 -11.578 0.515 -0.300 1.00 1.00 C ATOM 521 CG2 VAL A 34 -12.466 2.388 -1.694 1.00 1.00 C ATOM 0 H VAL A 34 -13.004 1.475 -4.018 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.719 0.040 -2.629 1.00 1.00 H new ATOM 0 HB VAL A 34 -13.425 0.481 -1.408 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -12.030 0.960 0.586 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -11.541 -0.568 -0.184 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -10.566 0.901 -0.424 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -12.918 2.833 -0.808 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -11.455 2.775 -1.819 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -13.062 2.640 -2.571 1.00 1.00 H new ATOM 531 N ASN A 35 -11.889 -2.179 -2.671 1.00 1.00 N ATOM 532 CA ASN A 35 -12.501 -3.504 -2.972 1.00 1.00 C ATOM 533 C ASN A 35 -13.877 -3.616 -2.307 1.00 1.00 C ATOM 534 O ASN A 35 -13.987 -3.909 -1.133 1.00 1.00 O ATOM 535 CB ASN A 35 -11.533 -4.528 -2.379 1.00 1.00 C ATOM 536 CG ASN A 35 -12.286 -5.822 -2.064 1.00 1.00 C ATOM 537 OD1 ASN A 35 -12.972 -5.911 -1.066 1.00 1.00 O ATOM 538 ND2 ASN A 35 -12.186 -6.836 -2.880 1.00 1.00 N ATOM 0 H ASN A 35 -11.033 -2.210 -2.118 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.653 -3.657 -4.040 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.724 -4.728 -3.081 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -11.077 -4.130 -1.472 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -12.684 -7.703 -2.679 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -11.610 -6.761 -3.718 1.00 1.00 H new ATOM 545 N ALA A 36 -14.925 -3.387 -3.050 1.00 1.00 N ATOM 546 CA ALA A 36 -16.292 -3.480 -2.462 1.00 1.00 C ATOM 547 C ALA A 36 -16.427 -4.756 -1.625 1.00 1.00 C ATOM 548 O ALA A 36 -17.193 -4.810 -0.683 1.00 1.00 O ATOM 549 CB ALA A 36 -17.239 -3.525 -3.661 1.00 1.00 C ATOM 0 H ALA A 36 -14.894 -3.139 -4.039 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.511 -2.642 -1.800 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.268 -3.594 -3.309 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -17.118 -2.619 -4.254 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -17.007 -4.395 -4.276 1.00 1.00 H new ATOM 555 N THR A 37 -15.685 -5.780 -1.950 1.00 1.00 N ATOM 556 CA THR A 37 -15.778 -7.040 -1.156 1.00 1.00 C ATOM 557 C THR A 37 -15.368 -6.763 0.290 1.00 1.00 C ATOM 558 O THR A 37 -16.034 -7.159 1.224 1.00 1.00 O ATOM 559 CB THR A 37 -14.798 -8.012 -1.814 1.00 1.00 C ATOM 560 OG1 THR A 37 -15.069 -8.083 -3.208 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.962 -9.397 -1.188 1.00 1.00 C ATOM 0 H THR A 37 -15.023 -5.800 -2.725 1.00 1.00 H new ATOM 0 HA THR A 37 -16.789 -7.446 -1.139 1.00 1.00 H new ATOM 0 HB THR A 37 -13.777 -7.664 -1.661 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.441 -8.704 -3.632 1.00 1.00 H new ATOM 0 HG21 THR A 37 -14.265 -10.092 -1.655 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.756 -9.340 -0.119 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.982 -9.748 -1.343 1.00 1.00 H new ATOM 569 N HIS A 38 -14.283 -6.063 0.477 1.00 1.00 N ATOM 570 CA HIS A 38 -13.842 -5.738 1.861 1.00 1.00 C ATOM 571 C HIS A 38 -14.911 -4.872 2.527 1.00 1.00 C ATOM 572 O HIS A 38 -15.075 -4.875 3.731 1.00 1.00 O ATOM 573 CB HIS A 38 -12.536 -4.961 1.693 1.00 1.00 C ATOM 574 CG HIS A 38 -11.451 -5.901 1.245 1.00 1.00 C ATOM 575 ND1 HIS A 38 -10.956 -5.895 -0.050 1.00 1.00 N ATOM 576 CD2 HIS A 38 -10.758 -6.883 1.908 1.00 1.00 C ATOM 577 CE1 HIS A 38 -10.007 -6.847 -0.125 1.00 1.00 C ATOM 578 NE2 HIS A 38 -9.847 -7.480 1.040 1.00 1.00 N ATOM 0 H HIS A 38 -13.685 -5.703 -0.267 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.696 -6.621 2.484 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -12.666 -4.163 0.962 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -12.257 -4.488 2.635 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -10.898 -7.152 2.945 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -9.444 -7.071 -1.019 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -9.197 -8.238 1.249 1.00 1.00 H new ATOM 586 N ILE A 39 -15.651 -4.145 1.736 1.00 1.00 N ATOM 587 CA ILE A 39 -16.732 -3.284 2.290 1.00 1.00 C ATOM 588 C ILE A 39 -18.036 -4.081 2.343 1.00 1.00 C ATOM 589 O ILE A 39 -18.728 -4.101 3.342 1.00 1.00 O ATOM 590 CB ILE A 39 -16.850 -2.125 1.301 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.940 -0.978 1.747 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.299 -1.638 1.248 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.651 -1.006 0.926 1.00 1.00 C ATOM 0 H ILE A 39 -15.552 -4.111 0.721 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.523 -2.934 3.301 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.548 -2.464 0.310 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.448 -0.023 1.614 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.711 -1.072 2.808 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.379 -0.812 0.542 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.946 -2.454 0.926 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.606 -1.301 2.238 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -14.001 -0.190 1.242 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -14.141 -1.957 1.081 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.890 -0.891 -0.131 1.00 1.00 H new ATOM 605 N LEU A 40 -18.367 -4.749 1.271 1.00 1.00 N ATOM 606 CA LEU A 40 -19.616 -5.562 1.245 1.00 1.00 C ATOM 607 C LEU A 40 -19.317 -6.991 1.705 1.00 1.00 C ATOM 608 O LEU A 40 -19.979 -7.529 2.572 1.00 1.00 O ATOM 609 CB LEU A 40 -20.068 -5.550 -0.216 1.00 1.00 C ATOM 610 CG LEU A 40 -21.496 -5.011 -0.304 1.00 1.00 C ATOM 611 CD1 LEU A 40 -22.355 -5.656 0.784 1.00 1.00 C ATOM 612 CD2 LEU A 40 -21.479 -3.493 -0.106 1.00 1.00 C ATOM 0 H LEU A 40 -17.823 -4.766 0.408 1.00 1.00 H new ATOM 0 HA LEU A 40 -20.384 -5.166 1.909 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.397 -4.930 -0.810 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.022 -6.557 -0.630 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.914 -5.248 -1.283 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -23.373 -5.271 0.720 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -22.367 -6.737 0.645 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -21.939 -5.421 1.764 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.496 -3.107 -0.168 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -21.061 -3.258 0.873 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -20.867 -3.032 -0.881 1.00 1.00 H new ATOM 624 N LYS A 41 -18.316 -7.608 1.135 1.00 1.00 N ATOM 625 CA LYS A 41 -17.967 -8.999 1.543 1.00 1.00 C ATOM 626 C LYS A 41 -17.455 -9.004 2.984 1.00 1.00 C ATOM 627 O LYS A 41 -17.540 -9.994 3.683 1.00 1.00 O ATOM 628 CB LYS A 41 -16.861 -9.431 0.577 1.00 1.00 C ATOM 629 CG LYS A 41 -16.521 -10.903 0.817 1.00 1.00 C ATOM 630 CD LYS A 41 -15.060 -11.158 0.438 1.00 1.00 C ATOM 631 CE LYS A 41 -14.662 -12.573 0.863 1.00 1.00 C ATOM 632 NZ LYS A 41 -14.444 -13.310 -0.412 1.00 1.00 N ATOM 0 H LYS A 41 -17.726 -7.209 0.405 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.823 -9.672 1.504 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -17.186 -9.285 -0.453 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.975 -8.814 0.722 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.686 -11.159 1.863 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -17.178 -11.540 0.225 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.926 -11.039 -0.637 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -14.414 -10.426 0.923 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -13.758 -12.563 1.473 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -15.444 -13.041 1.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -14.765 -14.293 -0.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.983 -12.852 -1.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -13.432 -13.301 -0.650 1.00 1.00 H new ATOM 645 N ALA A 42 -16.932 -7.897 3.434 1.00 1.00 N ATOM 646 CA ALA A 42 -16.426 -7.828 4.832 1.00 1.00 C ATOM 647 C ALA A 42 -17.592 -8.000 5.808 1.00 1.00 C ATOM 648 O ALA A 42 -17.413 -8.378 6.948 1.00 1.00 O ATOM 649 CB ALA A 42 -15.810 -6.434 4.966 1.00 1.00 C ATOM 0 H ALA A 42 -16.834 -7.038 2.893 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.700 -8.610 5.054 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -15.414 -6.307 5.973 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -15.003 -6.322 4.242 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.574 -5.679 4.778 1.00 1.00 H new ATOM 655 N ALA A 43 -18.785 -7.722 5.359 1.00 1.00 N ATOM 656 CA ALA A 43 -19.970 -7.866 6.252 1.00 1.00 C ATOM 657 C ALA A 43 -21.057 -8.696 5.565 1.00 1.00 C ATOM 658 O ALA A 43 -22.097 -8.965 6.134 1.00 1.00 O ATOM 659 CB ALA A 43 -20.459 -6.437 6.493 1.00 1.00 C ATOM 0 H ALA A 43 -18.991 -7.401 4.413 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.724 -8.377 7.183 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.333 -6.456 7.144 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.667 -5.856 6.966 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.726 -5.978 5.541 1.00 1.00 H new ATOM 665 N ASN A 44 -20.831 -9.105 4.345 1.00 1.00 N ATOM 666 CA ASN A 44 -21.859 -9.914 3.631 1.00 1.00 C ATOM 667 C ASN A 44 -21.247 -11.218 3.112 1.00 1.00 C ATOM 668 O ASN A 44 -21.850 -11.928 2.332 1.00 1.00 O ATOM 669 CB ASN A 44 -22.316 -9.035 2.467 1.00 1.00 C ATOM 670 CG ASN A 44 -21.665 -9.523 1.171 1.00 1.00 C ATOM 671 OD1 ASN A 44 -22.288 -10.207 0.384 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.427 -9.200 0.916 1.00 1.00 N ATOM 0 H ASN A 44 -19.981 -8.914 3.814 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.687 -10.193 4.282 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -23.402 -9.069 2.376 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.044 -7.996 2.654 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -19.983 -9.522 0.056 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -19.903 -8.626 1.577 1.00 1.00 H new ATOM 679 N PHE A 45 -20.055 -11.539 3.535 1.00 1.00 N ATOM 680 CA PHE A 45 -19.412 -12.797 3.059 1.00 1.00 C ATOM 681 C PHE A 45 -19.677 -12.988 1.564 1.00 1.00 C ATOM 682 O PHE A 45 -20.644 -12.485 1.027 1.00 1.00 O ATOM 683 CB PHE A 45 -20.075 -13.912 3.869 1.00 1.00 C ATOM 684 CG PHE A 45 -19.077 -14.489 4.844 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.708 -14.446 4.552 1.00 1.00 C ATOM 686 CD2 PHE A 45 -19.520 -15.066 6.039 1.00 1.00 C ATOM 687 CE1 PHE A 45 -16.783 -14.980 5.456 1.00 1.00 C ATOM 688 CE2 PHE A 45 -18.595 -15.600 6.944 1.00 1.00 C ATOM 689 CZ PHE A 45 -17.226 -15.558 6.652 1.00 1.00 C ATOM 0 H PHE A 45 -19.500 -10.986 4.188 1.00 1.00 H new ATOM 0 HA PHE A 45 -18.330 -12.787 3.192 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.939 -13.521 4.406 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -20.440 -14.693 3.202 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.366 -14.001 3.629 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -20.576 -15.099 6.263 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -15.727 -14.946 5.231 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -18.937 -16.044 7.867 1.00 1.00 H new ATOM 0 HZ PHE A 45 -16.512 -15.971 7.349 1.00 1.00 H new ATOM 699 N ALA A 46 -18.825 -13.707 0.885 1.00 1.00 N ATOM 700 CA ALA A 46 -19.032 -13.920 -0.575 1.00 1.00 C ATOM 701 C ALA A 46 -20.048 -15.040 -0.814 1.00 1.00 C ATOM 702 O ALA A 46 -19.709 -16.204 -0.883 1.00 1.00 O ATOM 703 CB ALA A 46 -17.659 -14.312 -1.121 1.00 1.00 C ATOM 0 H ALA A 46 -17.997 -14.155 1.277 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.425 -13.030 -1.066 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -17.731 -14.486 -2.195 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.948 -13.508 -0.930 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -17.318 -15.222 -0.628 1.00 1.00 H new ATOM 709 N LYS A 47 -21.291 -14.681 -0.948 1.00 1.00 N ATOM 710 CA LYS A 47 -22.354 -15.694 -1.193 1.00 1.00 C ATOM 711 C LYS A 47 -23.366 -15.114 -2.178 1.00 1.00 C ATOM 712 O LYS A 47 -23.120 -14.094 -2.792 1.00 1.00 O ATOM 713 CB LYS A 47 -23.001 -15.937 0.171 1.00 1.00 C ATOM 714 CG LYS A 47 -21.992 -16.614 1.102 1.00 1.00 C ATOM 715 CD LYS A 47 -22.736 -17.291 2.254 1.00 1.00 C ATOM 716 CE LYS A 47 -24.200 -16.845 2.251 1.00 1.00 C ATOM 717 NZ LYS A 47 -24.822 -17.576 1.113 1.00 1.00 N ATOM 0 H LYS A 47 -21.621 -13.717 -0.898 1.00 1.00 H new ATOM 0 HA LYS A 47 -21.971 -16.622 -1.617 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -23.332 -14.992 0.602 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -23.886 -16.564 0.059 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -21.408 -17.350 0.549 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -21.289 -15.877 1.492 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -22.675 -18.375 2.153 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -22.268 -17.033 3.204 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -24.690 -17.091 3.193 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -24.284 -15.766 2.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -25.333 -16.903 0.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -24.081 -18.050 0.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -25.488 -18.286 1.479 1.00 1.00 H new ATOM 730 N ALA A 48 -24.505 -15.727 -2.332 1.00 1.00 N ATOM 731 CA ALA A 48 -25.499 -15.158 -3.281 1.00 1.00 C ATOM 732 C ALA A 48 -25.693 -13.687 -2.932 1.00 1.00 C ATOM 733 O ALA A 48 -26.049 -12.875 -3.763 1.00 1.00 O ATOM 734 CB ALA A 48 -26.785 -15.951 -3.045 1.00 1.00 C ATOM 0 H ALA A 48 -24.787 -16.581 -1.852 1.00 1.00 H new ATOM 0 HA ALA A 48 -25.192 -15.223 -4.325 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -27.565 -15.585 -3.712 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -26.603 -17.007 -3.244 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -27.105 -15.826 -2.010 1.00 1.00 H new ATOM 740 N LYS A 49 -25.422 -13.336 -1.705 1.00 1.00 N ATOM 741 CA LYS A 49 -25.541 -11.915 -1.291 1.00 1.00 C ATOM 742 C LYS A 49 -24.447 -11.097 -1.983 1.00 1.00 C ATOM 743 O LYS A 49 -24.712 -10.093 -2.615 1.00 1.00 O ATOM 744 CB LYS A 49 -25.335 -11.922 0.224 1.00 1.00 C ATOM 745 CG LYS A 49 -26.625 -11.478 0.917 1.00 1.00 C ATOM 746 CD LYS A 49 -26.639 -9.954 1.045 1.00 1.00 C ATOM 747 CE LYS A 49 -27.578 -9.362 -0.008 1.00 1.00 C ATOM 748 NZ LYS A 49 -28.525 -8.508 0.759 1.00 1.00 N ATOM 0 H LYS A 49 -25.122 -13.977 -0.970 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.501 -11.474 -1.560 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -25.055 -12.921 0.559 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.517 -11.254 0.493 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -27.491 -11.813 0.346 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.697 -11.937 1.903 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.967 -9.665 2.044 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -25.632 -9.558 0.913 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -27.027 -8.777 -0.745 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -28.105 -10.146 -0.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -29.233 -8.107 0.112 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -29.003 -9.083 1.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -28.001 -7.737 1.220 1.00 1.00 H new ATOM 761 N ARG A 50 -23.213 -11.528 -1.872 1.00 1.00 N ATOM 762 CA ARG A 50 -22.103 -10.781 -2.525 1.00 1.00 C ATOM 763 C ARG A 50 -22.294 -10.778 -4.042 1.00 1.00 C ATOM 764 O ARG A 50 -21.840 -9.887 -4.731 1.00 1.00 O ATOM 765 CB ARG A 50 -20.834 -11.546 -2.146 1.00 1.00 C ATOM 766 CG ARG A 50 -19.606 -10.768 -2.624 1.00 1.00 C ATOM 767 CD ARG A 50 -18.818 -11.621 -3.621 1.00 1.00 C ATOM 768 NE ARG A 50 -19.372 -11.262 -4.956 1.00 1.00 N ATOM 769 CZ ARG A 50 -19.009 -11.934 -6.015 1.00 1.00 C ATOM 770 NH1 ARG A 50 -18.160 -12.917 -5.903 1.00 1.00 N ATOM 771 NH2 ARG A 50 -19.495 -11.620 -7.184 1.00 1.00 N ATOM 0 H ARG A 50 -22.932 -12.363 -1.358 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.061 -9.739 -2.207 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.791 -11.687 -1.066 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.847 -12.538 -2.597 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.914 -9.833 -3.093 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -18.975 -10.506 -1.775 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -17.751 -11.408 -3.566 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -18.941 -12.684 -3.415 1.00 1.00 H new ATOM 0 HE ARG A 50 -20.035 -10.492 -5.043 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -17.780 -13.161 -4.988 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -17.876 -13.442 -6.730 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -20.158 -10.850 -7.270 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -19.212 -12.145 -8.012 1.00 1.00 H new ATOM 784 N THR A 51 -22.971 -11.763 -4.567 1.00 1.00 N ATOM 785 CA THR A 51 -23.195 -11.805 -6.039 1.00 1.00 C ATOM 786 C THR A 51 -24.107 -10.651 -6.450 1.00 1.00 C ATOM 787 O THR A 51 -23.974 -10.091 -7.519 1.00 1.00 O ATOM 788 CB THR A 51 -23.870 -13.151 -6.304 1.00 1.00 C ATOM 789 OG1 THR A 51 -22.900 -14.186 -6.240 1.00 1.00 O ATOM 790 CG2 THR A 51 -24.513 -13.136 -7.692 1.00 1.00 C ATOM 0 H THR A 51 -23.377 -12.537 -4.042 1.00 1.00 H new ATOM 0 HA THR A 51 -22.270 -11.704 -6.607 1.00 1.00 H new ATOM 0 HB THR A 51 -24.639 -13.327 -5.552 1.00 1.00 H new ATOM 0 HG1 THR A 51 -23.332 -15.050 -6.408 1.00 1.00 H new ATOM 0 HG21 THR A 51 -24.994 -14.096 -7.881 1.00 1.00 H new ATOM 0 HG22 THR A 51 -25.258 -12.341 -7.740 1.00 1.00 H new ATOM 0 HG23 THR A 51 -23.746 -12.960 -8.446 1.00 1.00 H new ATOM 798 N ARG A 52 -25.025 -10.284 -5.601 1.00 1.00 N ATOM 799 CA ARG A 52 -25.937 -9.154 -5.934 1.00 1.00 C ATOM 800 C ARG A 52 -25.367 -7.858 -5.356 1.00 1.00 C ATOM 801 O ARG A 52 -25.015 -6.944 -6.075 1.00 1.00 O ATOM 802 CB ARG A 52 -27.268 -9.504 -5.267 1.00 1.00 C ATOM 803 CG ARG A 52 -28.390 -8.680 -5.902 1.00 1.00 C ATOM 804 CD ARG A 52 -29.472 -8.398 -4.857 1.00 1.00 C ATOM 805 NE ARG A 52 -29.989 -9.739 -4.466 1.00 1.00 N ATOM 806 CZ ARG A 52 -30.669 -9.880 -3.362 1.00 1.00 C ATOM 807 NH1 ARG A 52 -30.895 -8.846 -2.598 1.00 1.00 N ATOM 808 NH2 ARG A 52 -31.121 -11.055 -3.019 1.00 1.00 N ATOM 0 H ARG A 52 -25.184 -10.717 -4.691 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.056 -9.009 -7.008 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.475 -10.568 -5.381 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.215 -9.302 -4.197 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -27.992 -7.743 -6.290 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.818 -9.219 -6.747 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.062 -7.867 -3.998 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -30.265 -7.774 -5.269 1.00 1.00 H new ATOM 0 HE ARG A 52 -29.811 -10.547 -5.062 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -30.540 -7.928 -2.864 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -31.427 -8.956 -1.735 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -30.943 -11.864 -3.614 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -31.653 -11.165 -2.156 1.00 1.00 H new ATOM 821 N ILE A 53 -25.273 -7.778 -4.059 1.00 1.00 N ATOM 822 CA ILE A 53 -24.724 -6.546 -3.426 1.00 1.00 C ATOM 823 C ILE A 53 -23.449 -6.110 -4.154 1.00 1.00 C ATOM 824 O ILE A 53 -23.304 -4.967 -4.537 1.00 1.00 O ATOM 825 CB ILE A 53 -24.410 -6.946 -1.984 1.00 1.00 C ATOM 826 CG1 ILE A 53 -25.587 -7.737 -1.407 1.00 1.00 C ATOM 827 CG2 ILE A 53 -24.181 -5.688 -1.144 1.00 1.00 C ATOM 828 CD1 ILE A 53 -26.880 -6.944 -1.604 1.00 1.00 C ATOM 0 H ILE A 53 -25.553 -8.512 -3.409 1.00 1.00 H new ATOM 0 HA ILE A 53 -25.421 -5.709 -3.471 1.00 1.00 H new ATOM 0 HB ILE A 53 -23.512 -7.564 -1.965 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -25.664 -8.706 -1.899 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -25.424 -7.930 -0.347 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -23.957 -5.973 -0.116 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -23.344 -5.124 -1.555 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -25.079 -5.070 -1.162 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -27.718 -7.507 -1.193 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -26.801 -5.985 -1.091 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -27.044 -6.774 -2.668 1.00 1.00 H new ATOM 840 N LEU A 54 -22.530 -7.014 -4.363 1.00 1.00 N ATOM 841 CA LEU A 54 -21.277 -6.641 -5.085 1.00 1.00 C ATOM 842 C LEU A 54 -21.603 -6.316 -6.545 1.00 1.00 C ATOM 843 O LEU A 54 -21.332 -5.237 -7.032 1.00 1.00 O ATOM 844 CB LEU A 54 -20.385 -7.880 -4.993 1.00 1.00 C ATOM 845 CG LEU A 54 -18.949 -7.457 -4.673 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.295 -6.877 -5.927 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.963 -6.398 -3.569 1.00 1.00 C ATOM 0 H LEU A 54 -22.591 -7.988 -4.068 1.00 1.00 H new ATOM 0 HA LEU A 54 -20.791 -5.763 -4.660 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.758 -8.552 -4.220 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.412 -8.430 -5.934 1.00 1.00 H new ATOM 0 HG LEU A 54 -18.382 -8.325 -4.337 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -17.273 -6.576 -5.698 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -18.284 -7.631 -6.714 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -18.862 -6.009 -6.265 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.941 -6.097 -3.341 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -19.531 -5.530 -3.904 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -19.428 -6.812 -2.674 1.00 1.00 H new ATOM 859 N GLU A 55 -22.183 -7.254 -7.243 1.00 1.00 N ATOM 860 CA GLU A 55 -22.531 -7.021 -8.673 1.00 1.00 C ATOM 861 C GLU A 55 -23.542 -5.881 -8.797 1.00 1.00 C ATOM 862 O GLU A 55 -23.337 -4.938 -9.531 1.00 1.00 O ATOM 863 CB GLU A 55 -23.151 -8.331 -9.146 1.00 1.00 C ATOM 864 CG GLU A 55 -22.092 -9.171 -9.862 1.00 1.00 C ATOM 865 CD GLU A 55 -22.664 -9.699 -11.179 1.00 1.00 C ATOM 866 OE1 GLU A 55 -23.544 -9.052 -11.721 1.00 1.00 O ATOM 867 OE2 GLU A 55 -22.211 -10.741 -11.623 1.00 1.00 O ATOM 0 H GLU A 55 -22.432 -8.175 -6.883 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.661 -6.739 -9.266 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.553 -8.882 -8.296 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.985 -8.129 -9.818 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -21.204 -8.569 -10.054 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -21.782 -10.002 -9.228 1.00 1.00 H new ATOM 874 N LYS A 56 -24.631 -5.956 -8.081 1.00 1.00 N ATOM 875 CA LYS A 56 -25.648 -4.868 -8.163 1.00 1.00 C ATOM 876 C LYS A 56 -25.152 -3.635 -7.411 1.00 1.00 C ATOM 877 O LYS A 56 -25.107 -2.545 -7.947 1.00 1.00 O ATOM 878 CB LYS A 56 -26.899 -5.440 -7.495 1.00 1.00 C ATOM 879 CG LYS A 56 -27.698 -6.253 -8.516 1.00 1.00 C ATOM 880 CD LYS A 56 -27.985 -5.389 -9.746 1.00 1.00 C ATOM 881 CE LYS A 56 -28.501 -6.275 -10.883 1.00 1.00 C ATOM 882 NZ LYS A 56 -27.869 -5.725 -12.114 1.00 1.00 N ATOM 0 H LYS A 56 -24.860 -6.720 -7.445 1.00 1.00 H new ATOM 0 HA LYS A 56 -25.845 -4.559 -9.190 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -26.617 -6.071 -6.652 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.513 -4.632 -7.097 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -27.139 -7.143 -8.806 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.633 -6.595 -8.073 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.723 -4.625 -9.503 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -27.079 -4.869 -10.058 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -28.223 -7.318 -10.728 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -29.589 -6.241 -10.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -28.174 -6.280 -12.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -28.157 -4.733 -12.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -26.834 -5.777 -12.026 1.00 1.00 H new ATOM 895 N GLU A 57 -24.769 -3.798 -6.176 1.00 1.00 N ATOM 896 CA GLU A 57 -24.265 -2.632 -5.399 1.00 1.00 C ATOM 897 C GLU A 57 -23.095 -1.988 -6.146 1.00 1.00 C ATOM 898 O GLU A 57 -23.020 -0.784 -6.285 1.00 1.00 O ATOM 899 CB GLU A 57 -23.802 -3.211 -4.063 1.00 1.00 C ATOM 900 CG GLU A 57 -24.016 -2.175 -2.957 1.00 1.00 C ATOM 901 CD GLU A 57 -23.488 -0.817 -3.423 1.00 1.00 C ATOM 902 OE1 GLU A 57 -22.292 -0.710 -3.639 1.00 1.00 O ATOM 903 OE2 GLU A 57 -24.289 0.094 -3.556 1.00 1.00 O ATOM 0 H GLU A 57 -24.783 -4.685 -5.672 1.00 1.00 H new ATOM 0 HA GLU A 57 -25.023 -1.862 -5.258 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -24.358 -4.121 -3.836 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.749 -3.487 -4.119 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -25.076 -2.101 -2.713 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -23.501 -2.485 -2.048 1.00 1.00 H new ATOM 910 N VAL A 58 -22.180 -2.786 -6.628 1.00 1.00 N ATOM 911 CA VAL A 58 -21.015 -2.224 -7.366 1.00 1.00 C ATOM 912 C VAL A 58 -21.336 -2.099 -8.859 1.00 1.00 C ATOM 913 O VAL A 58 -21.106 -1.070 -9.465 1.00 1.00 O ATOM 914 CB VAL A 58 -19.882 -3.224 -7.144 1.00 1.00 C ATOM 915 CG1 VAL A 58 -18.563 -2.469 -6.963 1.00 1.00 C ATOM 916 CG2 VAL A 58 -20.168 -4.052 -5.888 1.00 1.00 C ATOM 0 H VAL A 58 -22.190 -3.802 -6.542 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.752 -1.226 -7.016 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.809 -3.885 -8.008 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -17.754 -3.182 -6.805 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -18.356 -1.878 -7.856 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -18.638 -1.808 -6.100 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.359 -4.765 -5.730 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.242 -3.390 -5.025 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -21.107 -4.591 -6.013 1.00 1.00 H new ATOM 926 N LEU A 59 -21.865 -3.131 -9.463 1.00 1.00 N ATOM 927 CA LEU A 59 -22.189 -3.043 -10.918 1.00 1.00 C ATOM 928 C LEU A 59 -22.635 -1.623 -11.255 1.00 1.00 C ATOM 929 O LEU A 59 -22.185 -1.028 -12.215 1.00 1.00 O ATOM 930 CB LEU A 59 -23.337 -4.027 -11.144 1.00 1.00 C ATOM 931 CG LEU A 59 -23.976 -3.749 -12.505 1.00 1.00 C ATOM 932 CD1 LEU A 59 -24.981 -2.604 -12.372 1.00 1.00 C ATOM 933 CD2 LEU A 59 -22.886 -3.356 -13.505 1.00 1.00 C ATOM 0 H LEU A 59 -22.085 -4.022 -9.018 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.331 -3.280 -11.547 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -22.967 -5.051 -11.105 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.080 -3.926 -10.353 1.00 1.00 H new ATOM 0 HG LEU A 59 -24.490 -4.644 -12.857 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.437 -2.405 -13.342 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -25.756 -2.881 -11.657 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.468 -1.708 -12.022 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.338 -3.157 -14.477 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.375 -2.460 -13.152 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.168 -4.170 -13.599 1.00 1.00 H new ATOM 945 N LYS A 60 -23.506 -1.067 -10.459 1.00 1.00 N ATOM 946 CA LYS A 60 -23.966 0.326 -10.721 1.00 1.00 C ATOM 947 C LYS A 60 -22.832 1.294 -10.389 1.00 1.00 C ATOM 948 O LYS A 60 -22.877 2.466 -10.711 1.00 1.00 O ATOM 949 CB LYS A 60 -25.153 0.541 -9.781 1.00 1.00 C ATOM 950 CG LYS A 60 -26.455 0.229 -10.522 1.00 1.00 C ATOM 951 CD LYS A 60 -26.835 1.416 -11.409 1.00 1.00 C ATOM 952 CE LYS A 60 -26.159 1.271 -12.775 1.00 1.00 C ATOM 953 NZ LYS A 60 -27.257 1.442 -13.767 1.00 1.00 N ATOM 0 H LYS A 60 -23.918 -1.515 -9.641 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.250 0.491 -11.760 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.058 -0.101 -8.905 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.164 1.570 -9.422 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -26.334 -0.668 -11.129 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -27.253 0.025 -9.808 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -27.917 1.461 -11.530 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -26.528 2.349 -10.937 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -25.382 2.023 -12.913 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -25.682 0.296 -12.878 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -26.872 1.356 -14.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -27.979 0.709 -13.616 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -27.688 2.381 -13.649 1.00 1.00 H new ATOM 966 N GLU A 61 -21.808 0.798 -9.750 1.00 1.00 N ATOM 967 CA GLU A 61 -20.651 1.664 -9.391 1.00 1.00 C ATOM 968 C GLU A 61 -19.421 1.252 -10.205 1.00 1.00 C ATOM 969 O GLU A 61 -19.525 0.553 -11.193 1.00 1.00 O ATOM 970 CB GLU A 61 -20.416 1.418 -7.900 1.00 1.00 C ATOM 971 CG GLU A 61 -21.080 2.533 -7.089 1.00 1.00 C ATOM 972 CD GLU A 61 -21.675 3.572 -8.040 1.00 1.00 C ATOM 973 OE1 GLU A 61 -20.926 4.118 -8.834 1.00 1.00 O ATOM 974 OE2 GLU A 61 -22.870 3.806 -7.959 1.00 1.00 O ATOM 0 H GLU A 61 -21.723 -0.176 -9.460 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.838 2.717 -9.602 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.826 0.450 -7.611 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.347 1.388 -7.689 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -21.861 2.118 -6.452 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -20.349 3.003 -6.431 1.00 1.00 H new ATOM 981 N THR A 62 -18.258 1.680 -9.801 1.00 1.00 N ATOM 982 CA THR A 62 -17.025 1.313 -10.556 1.00 1.00 C ATOM 983 C THR A 62 -16.552 -0.088 -10.158 1.00 1.00 C ATOM 984 O THR A 62 -15.376 -0.323 -9.960 1.00 1.00 O ATOM 985 CB THR A 62 -15.988 2.363 -10.157 1.00 1.00 C ATOM 986 OG1 THR A 62 -16.610 3.638 -10.090 1.00 1.00 O ATOM 987 CG2 THR A 62 -14.865 2.394 -11.195 1.00 1.00 C ATOM 0 H THR A 62 -18.107 2.268 -8.981 1.00 1.00 H new ATOM 0 HA THR A 62 -17.193 1.294 -11.633 1.00 1.00 H new ATOM 0 HB THR A 62 -15.571 2.110 -9.182 1.00 1.00 H new ATOM 0 HG1 THR A 62 -15.928 4.339 -10.152 1.00 1.00 H new ATOM 0 HG21 THR A 62 -14.126 3.143 -10.910 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.389 1.415 -11.245 1.00 1.00 H new ATOM 0 HG23 THR A 62 -15.279 2.646 -12.171 1.00 1.00 H new ATOM 995 N HIS A 63 -17.455 -1.023 -10.042 1.00 1.00 N ATOM 996 CA HIS A 63 -17.050 -2.408 -9.661 1.00 1.00 C ATOM 997 C HIS A 63 -16.120 -2.991 -10.729 1.00 1.00 C ATOM 998 O HIS A 63 -16.500 -3.158 -11.871 1.00 1.00 O ATOM 999 CB HIS A 63 -18.356 -3.200 -9.596 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.543 -3.966 -10.876 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -18.792 -3.336 -12.085 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -18.522 -5.311 -11.152 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -18.909 -4.292 -13.025 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -18.754 -5.515 -12.509 1.00 1.00 N ATOM 0 H HIS A 63 -18.455 -0.889 -10.194 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.511 -2.438 -8.714 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.336 -3.886 -8.749 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.196 -2.524 -9.439 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.351 -6.092 -10.426 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -19.104 -4.095 -14.069 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -18.797 -6.406 -13.003 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.901 -3.294 -10.371 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.951 -3.855 -11.376 1.00 1.00 C ATOM 1014 C GLU A 64 -13.194 -5.052 -10.797 1.00 1.00 C ATOM 1015 O GLU A 64 -12.887 -5.097 -9.622 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.981 -2.714 -11.677 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.416 -1.995 -12.957 1.00 1.00 C ATOM 1018 CD GLU A 64 -14.330 -2.912 -13.772 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -15.482 -3.054 -13.394 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -13.863 -3.455 -14.758 1.00 1.00 O ATOM 0 H GLU A 64 -14.523 -3.178 -9.431 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.466 -4.211 -12.268 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.959 -2.012 -10.843 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.970 -3.104 -11.792 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -13.938 -1.071 -12.708 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -12.542 -1.718 -13.546 1.00 1.00 H new ATOM 1027 N LYS A 65 -12.882 -6.017 -11.619 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.134 -7.207 -11.124 1.00 1.00 C ATOM 1029 C LYS A 65 -10.662 -7.099 -11.532 1.00 1.00 C ATOM 1030 O LYS A 65 -10.339 -6.618 -12.600 1.00 1.00 O ATOM 1031 CB LYS A 65 -12.795 -8.406 -11.805 1.00 1.00 C ATOM 1032 CG LYS A 65 -12.305 -8.507 -13.252 1.00 1.00 C ATOM 1033 CD LYS A 65 -12.603 -7.197 -13.984 1.00 1.00 C ATOM 1034 CE LYS A 65 -12.179 -7.323 -15.449 1.00 1.00 C ATOM 1035 NZ LYS A 65 -13.379 -6.915 -16.231 1.00 1.00 N ATOM 0 H LYS A 65 -13.113 -6.032 -12.612 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.162 -7.295 -10.038 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -12.556 -9.322 -11.264 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -13.879 -8.297 -11.784 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -11.235 -8.711 -13.271 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -12.797 -9.338 -13.757 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -13.666 -6.966 -13.921 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -12.070 -6.373 -13.509 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -11.326 -6.681 -15.670 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -11.880 -8.344 -15.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -13.168 -6.975 -17.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.173 -7.548 -16.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -13.636 -5.937 -15.988 1.00 1.00 H new ATOM 1048 N VAL A 66 -9.767 -7.539 -10.692 1.00 1.00 N ATOM 1049 CA VAL A 66 -8.318 -7.453 -11.036 1.00 1.00 C ATOM 1050 C VAL A 66 -7.872 -8.714 -11.781 1.00 1.00 C ATOM 1051 O VAL A 66 -8.198 -9.821 -11.401 1.00 1.00 O ATOM 1052 CB VAL A 66 -7.598 -7.343 -9.694 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.245 -8.296 -8.688 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -6.125 -7.716 -9.879 1.00 1.00 C ATOM 0 H VAL A 66 -9.974 -7.954 -9.784 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.100 -6.607 -11.687 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.672 -6.321 -9.322 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -7.731 -8.218 -7.730 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -9.295 -8.032 -8.559 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -8.171 -9.319 -9.057 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -5.607 -7.639 -8.923 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -6.052 -8.739 -10.249 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -5.665 -7.037 -10.597 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.124 -8.553 -12.838 1.00 1.00 N ATOM 1065 CA GLN A 67 -6.654 -9.739 -13.608 1.00 1.00 C ATOM 1066 C GLN A 67 -5.227 -9.509 -14.113 1.00 1.00 C ATOM 1067 O GLN A 67 -4.901 -8.454 -14.620 1.00 1.00 O ATOM 1068 CB GLN A 67 -7.626 -9.860 -14.783 1.00 1.00 C ATOM 1069 CG GLN A 67 -8.533 -11.073 -14.572 1.00 1.00 C ATOM 1070 CD GLN A 67 -9.012 -11.106 -13.119 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -8.907 -12.117 -12.455 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -9.539 -10.033 -12.596 1.00 1.00 N ATOM 0 H GLN A 67 -6.818 -7.651 -13.202 1.00 1.00 H new ATOM 0 HA GLN A 67 -6.634 -10.644 -13.001 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.226 -8.954 -14.867 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -7.073 -9.964 -15.717 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.388 -11.023 -15.247 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -7.993 -11.990 -14.809 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -9.627 -9.184 -13.154 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -9.863 -10.043 -11.629 1.00 1.00 H new ATOM 1081 N GLY A 68 -4.374 -10.488 -13.980 1.00 1.00 N ATOM 1082 CA GLY A 68 -2.970 -10.322 -14.454 1.00 1.00 C ATOM 1083 C GLY A 68 -2.095 -9.817 -13.305 1.00 1.00 C ATOM 1084 O GLY A 68 -0.911 -9.595 -13.466 1.00 1.00 O ATOM 0 H GLY A 68 -4.588 -11.395 -13.564 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -2.587 -11.272 -14.826 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -2.937 -9.618 -15.286 1.00 1.00 H new ATOM 1088 N GLY A 69 -2.666 -9.633 -12.147 1.00 1.00 N ATOM 1089 CA GLY A 69 -1.863 -9.143 -10.990 1.00 1.00 C ATOM 1090 C GLY A 69 -2.112 -7.646 -10.791 1.00 1.00 C ATOM 1091 O GLY A 69 -1.459 -6.999 -9.996 1.00 1.00 O ATOM 0 H GLY A 69 -3.653 -9.800 -11.951 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.135 -9.690 -10.088 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -0.803 -9.326 -11.166 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.052 -7.092 -11.505 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.346 -5.638 -11.354 1.00 1.00 C ATOM 1097 C PHE A 70 -4.616 -5.440 -10.523 1.00 1.00 C ATOM 1098 O PHE A 70 -5.700 -5.297 -11.053 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.555 -5.128 -12.780 1.00 1.00 C ATOM 1100 CG PHE A 70 -2.619 -5.856 -13.716 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -1.313 -6.153 -13.309 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -3.059 -6.236 -14.989 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -0.446 -6.829 -14.175 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -2.192 -6.911 -15.857 1.00 1.00 C ATOM 1105 CZ PHE A 70 -0.886 -7.208 -15.450 1.00 1.00 C ATOM 0 H PHE A 70 -3.630 -7.583 -12.187 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.545 -5.105 -10.843 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.589 -5.286 -13.087 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.370 -4.055 -12.825 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.974 -5.860 -12.326 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -4.067 -6.009 -15.302 1.00 1.00 H new ATOM 0 HE1 PHE A 70 0.561 -7.058 -13.861 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -2.531 -7.202 -16.840 1.00 1.00 H new ATOM 0 HZ PHE A 70 -0.217 -7.729 -16.119 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.493 -5.433 -9.223 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.698 -5.246 -8.366 1.00 1.00 C ATOM 1117 C GLY A 71 -6.280 -6.613 -7.998 1.00 1.00 C ATOM 1118 O GLY A 71 -7.450 -6.738 -7.688 1.00 1.00 O ATOM 0 H GLY A 71 -3.614 -5.548 -8.719 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.433 -4.697 -7.463 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.444 -4.651 -8.894 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.470 -7.639 -8.025 1.00 1.00 N ATOM 1123 CA LYS A 72 -5.982 -8.996 -7.682 1.00 1.00 C ATOM 1124 C LYS A 72 -6.244 -9.077 -6.183 1.00 1.00 C ATOM 1125 O LYS A 72 -6.707 -10.076 -5.670 1.00 1.00 O ATOM 1126 CB LYS A 72 -4.865 -9.959 -8.086 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.020 -11.272 -7.315 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.514 -11.088 -5.884 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.429 -12.126 -5.588 1.00 1.00 C ATOM 1130 NZ LYS A 72 -3.272 -12.108 -4.109 1.00 1.00 N ATOM 0 H LYS A 72 -4.481 -7.595 -8.269 1.00 1.00 H new ATOM 0 HA LYS A 72 -6.917 -9.232 -8.189 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -4.904 -10.148 -9.159 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -3.893 -9.514 -7.876 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.066 -11.579 -7.305 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.460 -12.065 -7.811 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -4.115 -10.082 -5.755 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.338 -11.197 -5.179 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.722 -13.115 -5.942 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -2.494 -11.873 -6.087 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.416 -12.636 -3.844 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.188 -11.125 -3.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -4.102 -12.551 -3.666 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.976 -8.013 -5.481 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.234 -8.001 -4.020 1.00 1.00 C ATOM 1145 C TYR A 73 -7.594 -7.352 -3.764 1.00 1.00 C ATOM 1146 O TYR A 73 -8.245 -7.617 -2.773 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.110 -7.155 -3.420 1.00 1.00 C ATOM 1148 CG TYR A 73 -3.777 -7.788 -3.736 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -3.697 -9.162 -3.994 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.620 -7.001 -3.772 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -2.461 -9.748 -4.287 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.383 -7.587 -4.065 1.00 1.00 C ATOM 1153 CZ TYR A 73 -1.304 -8.961 -4.323 1.00 1.00 C ATOM 1154 OH TYR A 73 -0.085 -9.539 -4.612 1.00 1.00 O ATOM 0 H TYR A 73 -5.588 -7.149 -5.860 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.254 -8.999 -3.583 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -5.148 -6.143 -3.823 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.239 -7.074 -2.341 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -4.590 -9.769 -3.967 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.682 -5.941 -3.574 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -2.399 -10.808 -4.485 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -0.490 -6.980 -4.092 1.00 1.00 H new ATOM 0 HH TYR A 73 0.614 -8.853 -4.597 1.00 1.00 H new ATOM 1164 N GLN A 74 -8.029 -6.503 -4.660 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.350 -5.838 -4.474 1.00 1.00 C ATOM 1166 C GLN A 74 -10.447 -6.617 -5.206 1.00 1.00 C ATOM 1167 O GLN A 74 -11.505 -6.871 -4.667 1.00 1.00 O ATOM 1168 CB GLN A 74 -9.180 -4.447 -5.084 1.00 1.00 C ATOM 1169 CG GLN A 74 -10.081 -4.314 -6.314 1.00 1.00 C ATOM 1170 CD GLN A 74 -9.280 -4.649 -7.573 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -8.264 -4.039 -7.840 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -9.698 -5.600 -8.363 1.00 1.00 N ATOM 0 H GLN A 74 -7.527 -6.243 -5.509 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.644 -5.791 -3.426 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.435 -3.683 -4.350 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -8.139 -4.286 -5.364 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -10.936 -4.984 -6.225 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -10.476 -3.300 -6.381 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -10.551 -6.112 -8.138 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -9.171 -5.832 -9.205 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.204 -6.998 -6.433 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.237 -7.758 -7.192 1.00 1.00 C ATOM 1183 C GLY A 75 -12.378 -6.814 -7.574 1.00 1.00 C ATOM 1184 O GLY A 75 -12.617 -6.545 -8.734 1.00 1.00 O ATOM 0 H GLY A 75 -9.338 -6.816 -6.940 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.797 -8.197 -8.088 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.617 -8.581 -6.587 1.00 1.00 H new ATOM 1188 N THR A 76 -13.077 -6.304 -6.598 1.00 1.00 N ATOM 1189 CA THR A 76 -14.200 -5.366 -6.885 1.00 1.00 C ATOM 1190 C THR A 76 -14.005 -4.073 -6.092 1.00 1.00 C ATOM 1191 O THR A 76 -14.759 -3.767 -5.190 1.00 1.00 O ATOM 1192 CB THR A 76 -15.459 -6.099 -6.420 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.174 -7.483 -6.275 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.573 -5.911 -7.452 1.00 1.00 C ATOM 0 H THR A 76 -12.918 -6.497 -5.609 1.00 1.00 H new ATOM 0 HA THR A 76 -14.260 -5.093 -7.939 1.00 1.00 H new ATOM 0 HB THR A 76 -15.782 -5.692 -5.462 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.131 -7.710 -5.323 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.469 -6.434 -7.119 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.792 -4.849 -7.561 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.252 -6.316 -8.412 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.990 -3.318 -6.412 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.740 -2.052 -5.665 1.00 1.00 C ATOM 1204 C TRP A 77 -13.726 -0.967 -6.098 1.00 1.00 C ATOM 1205 O TRP A 77 -14.332 -1.043 -7.149 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.311 -1.651 -6.030 1.00 1.00 C ATOM 1207 CG TRP A 77 -11.047 -1.985 -7.463 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.976 -2.424 -8.342 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.791 -1.914 -8.198 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.371 -2.627 -9.570 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.023 -2.327 -9.530 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.485 -1.535 -7.839 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.996 -2.362 -10.475 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.449 -1.570 -8.787 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.705 -1.982 -10.102 1.00 1.00 C ATOM 0 H TRP A 77 -12.324 -3.522 -7.157 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.868 -2.181 -4.590 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.168 -0.583 -5.863 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.601 -2.172 -5.388 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -13.020 -2.589 -8.122 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.860 -2.957 -10.402 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.277 -1.215 -6.829 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.198 -2.681 -11.487 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.449 -1.278 -8.501 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.904 -2.006 -10.826 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.883 0.048 -5.295 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.819 1.151 -5.649 1.00 1.00 C ATOM 1228 C VAL A 78 -14.216 2.495 -5.232 1.00 1.00 C ATOM 1229 O VAL A 78 -13.257 2.539 -4.486 1.00 1.00 O ATOM 1230 CB VAL A 78 -16.093 0.864 -4.852 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.240 0.557 -5.816 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.859 -0.341 -3.939 1.00 1.00 C ATOM 0 H VAL A 78 -13.400 0.161 -4.404 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.016 1.203 -6.720 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.349 1.735 -4.249 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -18.148 0.353 -5.248 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.406 1.414 -6.469 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.985 -0.315 -6.419 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.765 -0.548 -3.370 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.604 -1.211 -4.543 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -15.041 -0.124 -3.252 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.799 3.552 -5.728 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.309 4.911 -5.397 1.00 1.00 C ATOM 1244 C PRO A 79 -14.271 5.099 -3.877 1.00 1.00 C ATOM 1245 O PRO A 79 -15.295 5.162 -3.226 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.337 5.843 -6.036 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.043 5.016 -7.066 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.953 3.578 -6.628 1.00 1.00 C ATOM 0 HA PRO A 79 -13.299 5.101 -5.759 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -16.037 6.224 -5.292 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.853 6.707 -6.491 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.084 5.325 -7.158 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.583 5.148 -8.045 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.863 3.258 -6.120 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.811 2.910 -7.478 1.00 1.00 H new ATOM 1256 N LEU A 80 -13.100 5.183 -3.306 1.00 1.00 N ATOM 1257 CA LEU A 80 -13.003 5.361 -1.828 1.00 1.00 C ATOM 1258 C LEU A 80 -13.868 6.538 -1.370 1.00 1.00 C ATOM 1259 O LEU A 80 -14.416 6.529 -0.284 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.525 5.650 -1.563 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.220 7.107 -1.912 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -9.708 7.333 -1.892 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -11.763 7.421 -3.309 1.00 1.00 C ATOM 0 H LEU A 80 -12.208 5.136 -3.798 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.355 4.483 -1.286 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -11.288 5.458 -0.517 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.901 4.984 -2.159 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.694 7.761 -1.180 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -9.492 8.372 -2.141 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -9.320 7.110 -0.898 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.233 6.679 -2.623 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.546 8.460 -3.559 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -11.289 6.765 -4.039 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.841 7.262 -3.325 1.00 1.00 H new ATOM 1275 N ASN A 81 -14.002 7.546 -2.191 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.838 8.718 -1.799 1.00 1.00 C ATOM 1277 C ASN A 81 -16.271 8.259 -1.524 1.00 1.00 C ATOM 1278 O ASN A 81 -16.997 8.869 -0.766 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.796 9.657 -3.005 1.00 1.00 C ATOM 1280 CG ASN A 81 -14.398 11.060 -2.544 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -14.650 11.437 -1.416 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -13.783 11.857 -3.374 1.00 1.00 N ATOM 0 H ASN A 81 -13.570 7.608 -3.113 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.476 9.207 -0.895 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.082 9.288 -3.742 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.771 9.685 -3.492 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -13.514 12.795 -3.076 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -13.571 11.542 -4.321 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.673 7.177 -2.128 1.00 1.00 N ATOM 1290 CA ILE A 82 -18.049 6.658 -1.900 1.00 1.00 C ATOM 1291 C ILE A 82 -17.970 5.307 -1.189 1.00 1.00 C ATOM 1292 O ILE A 82 -18.858 4.925 -0.452 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.654 6.500 -3.295 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -17.536 6.252 -4.310 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -19.410 7.775 -3.672 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -17.200 7.559 -5.030 1.00 1.00 C ATOM 0 H ILE A 82 -16.105 6.627 -2.773 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.651 7.320 -1.277 1.00 1.00 H new ATOM 0 HB ILE A 82 -19.343 5.655 -3.298 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -16.651 5.865 -3.805 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -17.847 5.497 -5.032 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -19.841 7.662 -4.667 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -20.206 7.953 -2.949 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -18.722 8.620 -3.669 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -16.404 7.382 -5.753 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -18.085 7.927 -5.548 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -16.871 8.301 -4.302 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.903 4.585 -1.401 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.757 3.262 -0.734 1.00 1.00 C ATOM 1310 C ALA A 83 -16.660 3.450 0.780 1.00 1.00 C ATOM 1311 O ALA A 83 -17.459 2.923 1.529 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.456 2.680 -1.288 1.00 1.00 C ATOM 0 H ALA A 83 -16.128 4.855 -2.007 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.607 2.605 -0.921 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.277 1.701 -0.843 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.535 2.578 -2.370 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.627 3.346 -1.046 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.691 4.195 1.243 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.555 4.404 2.712 1.00 1.00 C ATOM 1320 C LYS A 84 -16.846 4.989 3.288 1.00 1.00 C ATOM 1321 O LYS A 84 -17.240 4.678 4.394 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.403 5.397 2.866 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.950 6.749 3.330 1.00 1.00 C ATOM 1324 CD LYS A 84 -14.116 7.875 2.718 1.00 1.00 C ATOM 1325 CE LYS A 84 -13.558 8.761 3.835 1.00 1.00 C ATOM 1326 NZ LYS A 84 -14.750 9.422 4.434 1.00 1.00 N ATOM 0 H LYS A 84 -14.991 4.665 0.669 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.365 3.472 3.244 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.678 5.020 3.587 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.879 5.512 1.917 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.994 6.852 3.033 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -14.921 6.811 4.418 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -13.300 7.458 2.128 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -14.729 8.469 2.040 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -13.020 8.170 4.576 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.855 9.496 3.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -14.469 10.332 4.851 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -15.464 9.585 3.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -15.151 8.811 5.174 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.514 5.831 2.547 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.779 6.424 3.063 1.00 1.00 C ATOM 1341 C GLN A 85 -19.859 5.345 3.149 1.00 1.00 C ATOM 1342 O GLN A 85 -20.765 5.419 3.956 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.165 7.496 2.047 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.491 8.138 2.458 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.979 9.064 1.343 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -22.160 9.321 1.224 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.113 9.582 0.516 1.00 1.00 N ATOM 0 H GLN A 85 -17.240 6.132 1.612 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.664 6.844 4.062 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.384 8.255 1.989 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.255 7.055 1.054 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.235 7.366 2.655 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.363 8.701 3.382 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.121 9.367 0.615 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.428 10.202 -0.230 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.759 4.335 2.333 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.768 3.240 2.378 1.00 1.00 C ATOM 1358 C LEU A 86 -20.349 2.209 3.425 1.00 1.00 C ATOM 1359 O LEU A 86 -21.158 1.712 4.184 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.757 2.627 0.981 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.724 1.444 0.933 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -23.125 1.911 1.332 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -21.762 0.874 -0.487 1.00 1.00 C ATOM 0 H LEU A 86 -19.023 4.219 1.637 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.763 3.594 2.648 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -21.045 3.375 0.242 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.750 2.297 0.725 1.00 1.00 H new ATOM 0 HG LEU A 86 -21.388 0.673 1.626 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.814 1.067 1.297 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -23.099 2.317 2.343 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -23.462 2.683 0.640 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -22.451 0.030 -0.522 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -22.097 1.646 -1.180 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -20.764 0.539 -0.772 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.085 1.888 3.472 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.610 0.894 4.473 1.00 1.00 C ATOM 1377 C ALA A 87 -18.240 1.599 5.780 1.00 1.00 C ATOM 1378 O ALA A 87 -18.801 1.325 6.822 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.375 0.252 3.839 1.00 1.00 C ATOM 0 H ALA A 87 -18.363 2.271 2.862 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.372 0.154 4.716 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.964 -0.495 4.518 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.655 -0.225 2.900 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.625 1.019 3.647 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.294 2.500 5.739 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.881 3.214 6.977 1.00 1.00 C ATOM 1387 C GLU A 88 -18.074 3.418 7.907 1.00 1.00 C ATOM 1388 O GLU A 88 -17.920 3.560 9.104 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.342 4.552 6.488 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.373 5.651 6.752 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.676 7.013 6.763 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -15.530 7.073 6.349 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -17.301 7.972 7.185 1.00 1.00 O ATOM 0 H GLU A 88 -16.789 2.771 4.896 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.140 2.655 7.548 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.408 4.787 6.998 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.119 4.498 5.422 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -18.145 5.632 5.983 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.869 5.477 7.707 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.265 3.419 7.378 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.457 3.597 8.249 1.00 1.00 C ATOM 1402 C LYS A 89 -20.637 2.361 9.128 1.00 1.00 C ATOM 1403 O LYS A 89 -19.981 2.199 10.138 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.635 3.750 7.285 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.663 4.713 7.884 1.00 1.00 C ATOM 1406 CD LYS A 89 -22.893 4.366 9.356 1.00 1.00 C ATOM 1407 CE LYS A 89 -24.068 5.184 9.895 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.818 4.245 10.774 1.00 1.00 N ATOM 0 H LYS A 89 -19.463 3.305 6.384 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.368 4.457 8.913 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.285 4.126 6.324 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.095 2.779 7.099 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -22.310 5.740 7.793 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -23.601 4.648 7.333 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -23.099 3.301 9.462 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -21.994 4.576 9.935 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -23.721 6.054 10.452 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -24.696 5.554 9.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -25.640 4.733 11.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -25.142 3.430 10.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -24.196 3.915 11.540 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.518 1.481 8.743 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.742 0.242 9.543 1.00 1.00 C ATOM 1423 C PHE A 90 -21.229 -0.979 8.776 1.00 1.00 C ATOM 1424 O PHE A 90 -21.343 -2.102 9.227 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.257 0.158 9.733 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.680 -1.292 9.760 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -23.315 -2.106 10.838 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.435 -1.821 8.706 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.705 -3.451 10.862 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -24.825 -3.165 8.731 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.460 -3.980 9.809 1.00 1.00 C ATOM 0 H PHE A 90 -22.095 1.566 7.906 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.214 0.265 10.496 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.546 0.650 10.662 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.766 0.682 8.924 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -22.733 -1.697 11.651 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -24.716 -1.192 7.874 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -23.423 -4.080 11.693 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -25.408 -3.573 7.918 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.761 -5.017 9.828 1.00 1.00 H new ATOM 1441 N SER A 91 -20.679 -0.768 7.612 1.00 1.00 N ATOM 1442 CA SER A 91 -20.176 -1.911 6.801 1.00 1.00 C ATOM 1443 C SER A 91 -19.023 -2.631 7.506 1.00 1.00 C ATOM 1444 O SER A 91 -19.231 -3.470 8.359 1.00 1.00 O ATOM 1445 CB SER A 91 -19.692 -1.284 5.495 1.00 1.00 C ATOM 1446 OG SER A 91 -20.768 -0.588 4.881 1.00 1.00 O ATOM 0 H SER A 91 -20.556 0.151 7.187 1.00 1.00 H new ATOM 0 HA SER A 91 -20.951 -2.661 6.642 1.00 1.00 H new ATOM 0 HB2 SER A 91 -18.866 -0.600 5.691 1.00 1.00 H new ATOM 0 HB3 SER A 91 -19.314 -2.057 4.825 1.00 1.00 H new ATOM 0 HG SER A 91 -20.732 0.358 5.133 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.808 -2.305 7.155 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.631 -2.960 7.798 1.00 1.00 C ATOM 1454 C VAL A 92 -15.735 -1.902 8.448 1.00 1.00 C ATOM 1455 O VAL A 92 -14.597 -2.162 8.786 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.894 -3.659 6.656 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -15.124 -2.625 5.835 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -14.913 -4.682 7.234 1.00 1.00 C ATOM 0 H VAL A 92 -17.578 -1.609 6.446 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.921 -3.660 8.582 1.00 1.00 H new ATOM 0 HB VAL A 92 -16.616 -4.166 6.016 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.599 -3.125 5.021 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -15.821 -1.895 5.423 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -14.402 -2.117 6.475 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -14.387 -5.181 6.421 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -14.192 -4.173 7.874 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -15.461 -5.421 7.819 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.229 -0.704 8.601 1.00 1.00 N ATOM 1469 CA TYR A 93 -15.386 0.371 9.202 1.00 1.00 C ATOM 1470 C TYR A 93 -14.360 -0.239 10.159 1.00 1.00 C ATOM 1471 O TYR A 93 -13.168 -0.140 9.947 1.00 1.00 O ATOM 1472 CB TYR A 93 -16.366 1.265 9.962 1.00 1.00 C ATOM 1473 CG TYR A 93 -16.882 0.529 11.175 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -17.438 -0.748 11.035 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -16.806 1.124 12.440 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -17.916 -1.431 12.160 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -17.285 0.441 13.564 1.00 1.00 C ATOM 1478 CZ TYR A 93 -17.840 -0.836 13.425 1.00 1.00 C ATOM 1479 OH TYR A 93 -18.312 -1.509 14.533 1.00 1.00 O ATOM 0 H TYR A 93 -17.174 -0.423 8.338 1.00 1.00 H new ATOM 0 HA TYR A 93 -14.827 0.929 8.450 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -15.872 2.188 10.266 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -17.196 1.546 9.314 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -17.498 -1.207 10.059 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -16.378 2.110 12.549 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -18.343 -2.417 12.052 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -17.226 0.900 14.540 1.00 1.00 H new ATOM 0 HH TYR A 93 -18.183 -0.956 15.331 1.00 1.00 H new ATOM 1489 N ASP A 94 -14.805 -0.869 11.212 1.00 1.00 N ATOM 1490 CA ASP A 94 -13.839 -1.478 12.172 1.00 1.00 C ATOM 1491 C ASP A 94 -12.712 -2.184 11.414 1.00 1.00 C ATOM 1492 O ASP A 94 -11.551 -1.852 11.556 1.00 1.00 O ATOM 1493 CB ASP A 94 -14.661 -2.489 12.974 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.469 -3.365 12.017 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -16.569 -2.969 11.666 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -14.975 -4.419 11.649 1.00 1.00 O ATOM 0 H ASP A 94 -15.790 -0.988 11.449 1.00 1.00 H new ATOM 0 HA ASP A 94 -13.370 -0.732 12.814 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -14.002 -3.109 13.582 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -15.330 -1.968 13.659 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.044 -3.153 10.607 1.00 1.00 N ATOM 1502 CA GLN A 95 -11.991 -3.878 9.838 1.00 1.00 C ATOM 1503 C GLN A 95 -11.076 -2.880 9.125 1.00 1.00 C ATOM 1504 O GLN A 95 -9.872 -3.040 9.094 1.00 1.00 O ATOM 1505 CB GLN A 95 -12.756 -4.726 8.822 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.408 -6.202 9.022 1.00 1.00 C ATOM 1507 CD GLN A 95 -13.677 -7.047 8.896 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -14.002 -7.520 7.826 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -14.411 -7.260 9.954 1.00 1.00 N ATOM 0 H GLN A 95 -13.998 -3.475 10.446 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.356 -4.487 10.481 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.829 -4.575 8.941 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.501 -4.416 7.809 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -11.673 -6.517 8.281 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -11.955 -6.350 10.002 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -14.138 -6.863 10.853 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -15.258 -7.824 9.882 1.00 1.00 H new ATOM 1518 N LEU A 96 -11.637 -1.853 8.549 1.00 1.00 N ATOM 1519 CA LEU A 96 -10.797 -0.847 7.836 1.00 1.00 C ATOM 1520 C LEU A 96 -10.171 0.127 8.837 1.00 1.00 C ATOM 1521 O LEU A 96 -10.040 1.306 8.571 1.00 1.00 O ATOM 1522 CB LEU A 96 -11.763 -0.112 6.907 1.00 1.00 C ATOM 1523 CG LEU A 96 -12.844 -1.080 6.424 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.215 -0.410 6.529 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -12.572 -1.458 4.965 1.00 1.00 C ATOM 0 H LEU A 96 -12.640 -1.666 8.541 1.00 1.00 H new ATOM 0 HA LEU A 96 -9.976 -1.310 7.288 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.220 0.728 7.431 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.222 0.300 6.055 1.00 1.00 H new ATOM 0 HG LEU A 96 -12.831 -1.977 7.043 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -14.985 -1.101 6.185 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.409 -0.139 7.567 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -14.230 0.487 5.911 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -13.341 -2.148 4.618 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -12.586 -0.560 4.348 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -11.595 -1.936 4.889 1.00 1.00 H new ATOM 1537 N LYS A 97 -9.783 -0.353 9.988 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.165 0.550 11.000 1.00 1.00 C ATOM 1539 C LYS A 97 -7.932 1.241 10.410 1.00 1.00 C ATOM 1540 O LYS A 97 -7.796 2.445 10.494 1.00 1.00 O ATOM 1541 CB LYS A 97 -8.766 -0.367 12.157 1.00 1.00 C ATOM 1542 CG LYS A 97 -7.241 -0.455 12.237 1.00 1.00 C ATOM 1543 CD LYS A 97 -6.833 -1.867 12.665 1.00 1.00 C ATOM 1544 CE LYS A 97 -7.969 -2.506 13.466 1.00 1.00 C ATOM 1545 NZ LYS A 97 -7.445 -2.616 14.856 1.00 1.00 N ATOM 0 H LYS A 97 -9.867 -1.330 10.270 1.00 1.00 H new ATOM 0 HA LYS A 97 -9.846 1.338 11.322 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -9.168 0.017 13.094 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -9.191 -1.360 12.011 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -6.801 -0.216 11.269 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -6.861 0.277 12.950 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -6.607 -2.473 11.788 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -5.926 -1.828 13.268 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -8.870 -1.893 13.431 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -8.233 -3.485 13.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -8.169 -3.046 15.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -6.591 -3.210 14.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -7.209 -1.669 15.214 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.072 0.448 9.830 1.00 1.00 N ATOM 1559 CA PRO A 98 -5.834 0.986 9.216 1.00 1.00 C ATOM 1560 C PRO A 98 -6.179 1.881 8.021 1.00 1.00 C ATOM 1561 O PRO A 98 -5.845 3.049 7.991 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.073 -0.258 8.758 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.086 -1.359 8.717 1.00 1.00 C ATOM 1564 CD PRO A 98 -7.174 -1.007 9.696 1.00 1.00 C ATOM 0 HA PRO A 98 -5.252 1.599 9.904 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -4.623 -0.103 7.777 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -4.262 -0.497 9.446 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.494 -1.468 7.712 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -5.627 -2.312 8.979 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.155 -1.306 9.327 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -7.027 -1.507 10.653 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.848 1.341 7.038 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.215 2.162 5.848 1.00 1.00 C ATOM 1574 C LEU A 99 -7.767 3.518 6.295 1.00 1.00 C ATOM 1575 O LEU A 99 -7.520 4.534 5.676 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.295 1.353 5.127 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.451 1.869 3.696 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -7.706 3.197 3.547 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -7.865 0.846 2.720 1.00 1.00 C ATOM 0 H LEU A 99 -7.156 0.369 7.007 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.360 2.364 5.203 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -8.026 0.297 5.116 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -9.242 1.436 5.660 1.00 1.00 H new ATOM 0 HG LEU A 99 -9.508 2.019 3.478 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -7.818 3.564 2.527 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.120 3.927 4.243 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -6.649 3.047 3.765 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -7.975 1.212 1.699 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -6.808 0.697 2.940 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -8.394 -0.101 2.825 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.508 3.541 7.368 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.071 4.830 7.858 1.00 1.00 C ATOM 1593 C PHE A 100 -8.061 5.532 8.768 1.00 1.00 C ATOM 1594 O PHE A 100 -8.105 6.732 8.953 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.323 4.443 8.645 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.477 4.246 7.691 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.250 4.245 6.310 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.772 4.064 8.189 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.320 4.062 5.426 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.842 3.881 7.305 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.616 3.880 5.924 1.00 1.00 C ATOM 0 H PHE A 100 -8.748 2.722 7.927 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.299 5.518 7.044 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.143 3.527 9.208 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.565 5.221 9.369 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.250 4.385 5.927 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.946 4.065 9.255 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.146 4.061 4.360 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.842 3.741 7.689 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.441 3.739 5.242 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.149 4.790 9.334 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.133 5.412 10.231 1.00 1.00 C ATOM 1613 C ASP A 101 -5.182 6.292 9.418 1.00 1.00 C ATOM 1614 O ASP A 101 -4.711 7.311 9.887 1.00 1.00 O ATOM 1615 CB ASP A 101 -5.379 4.234 10.850 1.00 1.00 C ATOM 1616 CG ASP A 101 -4.158 3.900 9.989 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -4.066 4.432 8.895 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -3.338 3.118 10.439 1.00 1.00 O ATOM 0 H ASP A 101 -7.063 3.781 9.215 1.00 1.00 H new ATOM 0 HA ASP A 101 -6.585 6.050 10.990 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.065 4.482 11.864 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -6.035 3.366 10.922 1.00 1.00 H new ATOM 1805 N LYS A 116 -0.418 6.440 -0.836 1.00 1.00 N ATOM 1806 CA LYS A 116 -1.066 7.691 -0.344 1.00 1.00 C ATOM 1807 C LYS A 116 -2.433 7.876 -1.008 1.00 1.00 C ATOM 1808 O LYS A 116 -2.699 7.339 -2.066 1.00 1.00 O ATOM 1809 CB LYS A 116 -0.116 8.816 -0.752 1.00 1.00 C ATOM 1810 CG LYS A 116 -0.611 10.140 -0.168 1.00 1.00 C ATOM 1811 CD LYS A 116 -0.687 11.192 -1.277 1.00 1.00 C ATOM 1812 CE LYS A 116 0.720 11.700 -1.595 1.00 1.00 C ATOM 1813 NZ LYS A 116 0.509 12.973 -2.338 1.00 1.00 N ATOM 0 HA LYS A 116 -1.236 7.671 0.732 1.00 1.00 H new ATOM 0 HB2 LYS A 116 0.891 8.603 -0.395 1.00 1.00 H new ATOM 0 HB3 LYS A 116 -0.061 8.884 -1.839 1.00 1.00 H new ATOM 0 HG2 LYS A 116 -1.592 10.005 0.287 1.00 1.00 H new ATOM 0 HG3 LYS A 116 0.062 10.476 0.621 1.00 1.00 H new ATOM 0 HD2 LYS A 116 -1.141 10.762 -2.170 1.00 1.00 H new ATOM 0 HD3 LYS A 116 -1.322 12.021 -0.964 1.00 1.00 H new ATOM 0 HE2 LYS A 116 1.296 11.865 -0.684 1.00 1.00 H new ATOM 0 HE3 LYS A 116 1.274 10.979 -2.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 1.430 13.384 -2.592 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 -0.036 12.784 -3.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 -0.015 13.642 -1.738 1.00 1.00 H new ATOM 1826 N HIS A 117 -3.302 8.632 -0.396 1.00 1.00 N ATOM 1827 CA HIS A 117 -4.652 8.852 -0.992 1.00 1.00 C ATOM 1828 C HIS A 117 -4.792 10.299 -1.470 1.00 1.00 C ATOM 1829 O HIS A 117 -4.157 11.198 -0.956 1.00 1.00 O ATOM 1830 CB HIS A 117 -5.636 8.564 0.141 1.00 1.00 C ATOM 1831 CG HIS A 117 -5.764 7.077 0.331 1.00 1.00 C ATOM 1832 ND1 HIS A 117 -6.918 6.492 0.828 1.00 1.00 N ATOM 1833 CD2 HIS A 117 -4.891 6.045 0.098 1.00 1.00 C ATOM 1834 CE1 HIS A 117 -6.710 5.164 0.876 1.00 1.00 C ATOM 1835 NE2 HIS A 117 -5.490 4.837 0.443 1.00 1.00 N ATOM 0 H HIS A 117 -3.137 9.107 0.491 1.00 1.00 H new ATOM 0 HA HIS A 117 -4.829 8.215 -1.858 1.00 1.00 H new ATOM 0 HB2 HIS A 117 -5.291 9.031 1.064 1.00 1.00 H new ATOM 0 HB3 HIS A 117 -6.609 8.997 -0.090 1.00 1.00 H new ATOM 0 HD2 HIS A 117 -3.890 6.153 -0.294 1.00 1.00 H new ATOM 0 HE1 HIS A 117 -7.441 4.449 1.223 1.00 1.00 H new ATOM 0 HE2 HIS A 117 -5.084 3.903 0.379 1.00 1.00 H new ATOM 1843 N HIS A 118 -5.622 10.532 -2.450 1.00 1.00 N ATOM 1844 CA HIS A 118 -5.804 11.921 -2.961 1.00 1.00 C ATOM 1845 C HIS A 118 -6.101 12.877 -1.801 1.00 1.00 C ATOM 1846 O HIS A 118 -6.844 12.555 -0.894 1.00 1.00 O ATOM 1847 CB HIS A 118 -7.001 11.840 -3.908 1.00 1.00 C ATOM 1848 CG HIS A 118 -7.127 13.132 -4.669 1.00 1.00 C ATOM 1849 ND1 HIS A 118 -7.295 14.351 -4.032 1.00 1.00 N ATOM 1850 CD2 HIS A 118 -7.114 13.409 -6.014 1.00 1.00 C ATOM 1851 CE1 HIS A 118 -7.375 15.298 -4.985 1.00 1.00 C ATOM 1852 NE2 HIS A 118 -7.271 14.778 -6.211 1.00 1.00 N ATOM 0 H HIS A 118 -6.182 9.820 -2.919 1.00 1.00 H new ATOM 0 HA HIS A 118 -4.912 12.297 -3.462 1.00 1.00 H new ATOM 0 HB2 HIS A 118 -6.874 11.008 -4.601 1.00 1.00 H new ATOM 0 HB3 HIS A 118 -7.913 11.648 -3.343 1.00 1.00 H new ATOM 0 HD1 HIS A 118 -7.348 14.503 -3.025 1.00 1.00 H new ATOM 0 HD2 HIS A 118 -6.999 12.676 -6.799 1.00 1.00 H new ATOM 0 HE1 HIS A 118 -7.507 16.351 -4.783 1.00 1.00 H new ATOM 1860 N HIS A 119 -5.526 14.047 -1.821 1.00 1.00 N ATOM 1861 CA HIS A 119 -5.772 15.020 -0.718 1.00 1.00 C ATOM 1862 C HIS A 119 -7.237 15.469 -0.720 1.00 1.00 C ATOM 1863 O HIS A 119 -7.900 15.459 -1.739 1.00 1.00 O ATOM 1864 CB HIS A 119 -4.850 16.202 -1.018 1.00 1.00 C ATOM 1865 CG HIS A 119 -4.526 16.924 0.260 1.00 1.00 C ATOM 1866 ND1 HIS A 119 -5.255 18.019 0.695 1.00 1.00 N ATOM 1867 CD2 HIS A 119 -3.555 16.720 1.208 1.00 1.00 C ATOM 1868 CE1 HIS A 119 -4.716 18.430 1.857 1.00 1.00 C ATOM 1869 NE2 HIS A 119 -3.676 17.673 2.216 1.00 1.00 N ATOM 0 H HIS A 119 -4.896 14.373 -2.554 1.00 1.00 H new ATOM 0 HA HIS A 119 -5.575 14.587 0.263 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -3.933 15.850 -1.492 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -5.331 16.883 -1.720 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -2.810 15.939 1.177 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -5.080 19.270 2.430 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -3.096 17.772 3.049 1.00 1.00 H new ATOM 1877 N ALA A 120 -7.744 15.862 0.416 1.00 1.00 N ATOM 1878 CA ALA A 120 -9.163 16.314 0.489 1.00 1.00 C ATOM 1879 C ALA A 120 -9.557 17.050 -0.795 1.00 1.00 C ATOM 1880 O ALA A 120 -8.723 17.385 -1.612 1.00 1.00 O ATOM 1881 CB ALA A 120 -9.215 17.262 1.687 1.00 1.00 C ATOM 0 H ALA A 120 -7.235 15.890 1.300 1.00 1.00 H new ATOM 0 HA ALA A 120 -9.855 15.479 0.598 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -10.230 17.639 1.809 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -8.917 16.726 2.588 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -8.535 18.097 1.520 1.00 1.00 H new ATOM 1887 N SER A 121 -10.824 17.309 -0.973 1.00 1.00 N ATOM 1888 CA SER A 121 -11.275 18.029 -2.197 1.00 1.00 C ATOM 1889 C SER A 121 -11.386 19.526 -1.904 1.00 1.00 C ATOM 1890 O SER A 121 -12.218 19.957 -1.131 1.00 1.00 O ATOM 1891 CB SER A 121 -12.647 17.440 -2.522 1.00 1.00 C ATOM 1892 OG SER A 121 -12.494 16.385 -3.462 1.00 1.00 O ATOM 0 H SER A 121 -11.567 17.053 -0.323 1.00 1.00 H new ATOM 0 HA SER A 121 -10.581 17.915 -3.029 1.00 1.00 H new ATOM 0 HB2 SER A 121 -13.120 17.067 -1.613 1.00 1.00 H new ATOM 0 HB3 SER A 121 -13.300 18.212 -2.928 1.00 1.00 H new ATOM 0 HG SER A 121 -13.372 16.004 -3.672 1.00 1.00 H new ATOM 1898 N LYS A 122 -10.555 20.323 -2.515 1.00 1.00 N ATOM 1899 CA LYS A 122 -10.620 21.792 -2.268 1.00 1.00 C ATOM 1900 C LYS A 122 -11.054 22.526 -3.538 1.00 1.00 C ATOM 1901 O LYS A 122 -10.236 22.918 -4.348 1.00 1.00 O ATOM 1902 CB LYS A 122 -9.197 22.190 -1.876 1.00 1.00 C ATOM 1903 CG LYS A 122 -9.150 22.512 -0.381 1.00 1.00 C ATOM 1904 CD LYS A 122 -8.285 23.753 -0.153 1.00 1.00 C ATOM 1905 CE LYS A 122 -6.896 23.328 0.328 1.00 1.00 C ATOM 1906 NZ LYS A 122 -5.953 24.256 -0.356 1.00 1.00 N ATOM 0 H LYS A 122 -9.835 20.023 -3.173 1.00 1.00 H new ATOM 0 HA LYS A 122 -11.343 22.049 -1.494 1.00 1.00 H new ATOM 0 HB2 LYS A 122 -8.505 21.380 -2.106 1.00 1.00 H new ATOM 0 HB3 LYS A 122 -8.878 23.056 -2.456 1.00 1.00 H new ATOM 0 HG2 LYS A 122 -10.158 22.684 -0.003 1.00 1.00 H new ATOM 0 HG3 LYS A 122 -8.743 21.665 0.172 1.00 1.00 H new ATOM 0 HD2 LYS A 122 -8.202 24.326 -1.077 1.00 1.00 H new ATOM 0 HD3 LYS A 122 -8.753 24.405 0.585 1.00 1.00 H new ATOM 0 HE2 LYS A 122 -6.812 23.407 1.412 1.00 1.00 H new ATOM 0 HE3 LYS A 122 -6.688 22.290 0.067 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 -4.978 24.028 -0.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 -6.051 24.153 -1.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 -6.171 25.236 -0.083 1.00 1.00 H new ATOM 1919 N VAL A 123 -12.332 22.721 -3.723 1.00 1.00 N ATOM 1920 CA VAL A 123 -12.805 23.432 -4.945 1.00 1.00 C ATOM 1921 C VAL A 123 -12.698 24.946 -4.751 1.00 1.00 C ATOM 1922 O VAL A 123 -12.840 25.454 -3.656 1.00 1.00 O ATOM 1923 CB VAL A 123 -14.267 23.013 -5.104 1.00 1.00 C ATOM 1924 CG1 VAL A 123 -15.001 24.039 -5.969 1.00 1.00 C ATOM 1925 CG2 VAL A 123 -14.332 21.640 -5.776 1.00 1.00 C ATOM 0 H VAL A 123 -13.067 22.420 -3.083 1.00 1.00 H new ATOM 0 HA VAL A 123 -12.211 23.183 -5.824 1.00 1.00 H new ATOM 0 HB VAL A 123 -14.739 22.961 -4.123 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -16.043 23.740 -6.082 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -14.954 25.018 -5.491 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -14.530 24.091 -6.950 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -15.374 21.340 -5.890 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -13.860 21.692 -6.757 1.00 1.00 H new ATOM 0 HG23 VAL A 123 -13.809 20.908 -5.160 1.00 1.00 H new ATOM 1935 N ASP A 124 -12.449 25.672 -5.806 1.00 1.00 N ATOM 1936 CA ASP A 124 -12.333 27.154 -5.682 1.00 1.00 C ATOM 1937 C ASP A 124 -13.632 27.741 -5.122 1.00 1.00 C ATOM 1938 O ASP A 124 -14.660 27.100 -5.267 1.00 1.00 O ATOM 1939 CB ASP A 124 -12.089 27.653 -7.106 1.00 1.00 C ATOM 1940 CG ASP A 124 -11.111 26.715 -7.816 1.00 1.00 C ATOM 1941 OD1 ASP A 124 -10.313 26.096 -7.132 1.00 1.00 O ATOM 1942 OD2 ASP A 124 -11.178 26.632 -9.031 1.00 1.00 O ATOM 0 H ASP A 124 -12.321 25.304 -6.749 1.00 1.00 H new ATOM 0 HA ASP A 124 -11.533 27.450 -5.004 1.00 1.00 H new ATOM 0 HB2 ASP A 124 -13.030 27.696 -7.654 1.00 1.00 H new ATOM 0 HB3 ASP A 124 -11.687 28.666 -7.084 1.00 1.00 H new