USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 46 TYR OH : rot 15:sc= -0.515 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 GLN : amide:sc= -14.3! C(o=-14!,f=-19!) USER MOD Set 2.2: A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -155:sc= -0.771 (180deg=-2.51!) USER MOD Single : A 13 LYS NZ :NH3+ -126:sc= -1.26 (180deg=-1.72) USER MOD Single : A 14 CYS SG : rot 136:sc= -0.252! USER MOD Single : A 15 SER OG : rot -21:sc= -0.294 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.22 F(o=-2.1,f=-1.2) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -1.21! C(o=-1.2!,f=-4.3!) USER MOD Single : A 19 THR OG1 : rot 49:sc= 0.026 USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.003) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -7.72! C(o=-8.8!,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= -1.43 (180deg=-3.66!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -5.35 K(o=-5.4,f=-10!) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -7.17! C(o=-8.7!,f=-7.2!) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.01) USER MOD Single : A 40 THR OG1 : rot 140:sc= 0.00227 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 52 ASN : amide:sc= -7.08! C(o=-7.1!,f=-11!) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.222 (180deg=-0.817) USER MOD Single : A 54 ASN : amide:sc= -0.0962 K(o=-0.096,f=-0.94!) USER MOD Single : A 55 LYS NZ :NH3+ 143:sc= 0.00996 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -120:sc= -1.46! USER MOD Single : A 65 MET CE :methyl -163:sc= -0.34 (180deg=-0.792) USER MOD Single : A 67 TYR OH : rot -125:sc= 1.05 USER MOD Single : A 70 ASN : amide:sc= -2.7 K(o=-2.7,f=-8.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 80 MET CE :methyl 167:sc= 0 (180deg=-0.322) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.0077 (180deg=-0.513) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -0.519 (180deg=-1.74!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= -1.73 (180deg=-4.07!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -62:sc= 1.67 USER MOD Single : A 103 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.174 0.487 -0.131 1.00 73.12 N ATOM 2 CA GLY A 1 2.021 0.364 -1.571 1.00 23.12 C ATOM 3 C GLY A 1 2.047 -1.104 -2.002 1.00 15.10 C ATOM 4 O GLY A 1 3.113 -1.659 -2.265 1.00 23.01 O ATOM 0 H1 GLY A 1 2.153 1.492 0.136 1.00 73.12 H new ATOM 0 H2 GLY A 1 1.397 -0.014 0.345 1.00 73.12 H new ATOM 0 H3 GLY A 1 3.082 0.071 0.158 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.081 0.821 -1.881 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.821 0.908 -2.073 1.00 23.12 H new ATOM 8 N ASP A 2 0.861 -1.691 -2.061 1.00 31.34 N ATOM 9 CA ASP A 2 0.733 -3.083 -2.456 1.00 62.51 C ATOM 10 C ASP A 2 1.254 -3.254 -3.885 1.00 14.32 C ATOM 11 O ASP A 2 0.561 -2.923 -4.845 1.00 25.10 O ATOM 12 CB ASP A 2 -0.730 -3.532 -2.429 1.00 74.02 C ATOM 13 CG ASP A 2 -1.280 -3.861 -1.040 1.00 73.22 C ATOM 14 OD1 ASP A 2 -1.828 -2.991 -0.348 1.00 54.32 O ATOM 15 OD2 ASP A 2 -1.124 -5.086 -0.668 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.021 -1.227 -1.842 1.00 31.34 H new ATOM 0 HA ASP A 2 1.308 -3.686 -1.754 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.344 -2.746 -2.869 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.836 -4.412 -3.063 1.00 74.02 H new ATOM 21 N VAL A 3 2.471 -3.770 -3.980 1.00 32.11 N ATOM 22 CA VAL A 3 3.092 -3.988 -5.274 1.00 21.23 C ATOM 23 C VAL A 3 2.396 -5.156 -5.978 1.00 32.03 C ATOM 24 O VAL A 3 2.505 -5.305 -7.195 1.00 72.34 O ATOM 25 CB VAL A 3 4.597 -4.205 -5.103 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.879 -5.324 -4.099 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.266 -4.493 -6.448 1.00 25.11 C ATOM 0 H VAL A 3 3.043 -4.043 -3.181 1.00 32.11 H new ATOM 0 HA VAL A 3 2.974 -3.109 -5.907 1.00 21.23 H new ATOM 0 HB VAL A 3 5.025 -3.284 -4.707 1.00 43.02 H new ATOM 0 HG11 VAL A 3 5.956 -5.458 -3.996 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.452 -5.061 -3.131 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.430 -6.252 -4.453 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.335 -4.643 -6.298 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.831 -5.392 -6.886 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.109 -3.650 -7.120 1.00 25.11 H new ATOM 37 N GLU A 4 1.699 -5.954 -5.184 1.00 73.22 N ATOM 38 CA GLU A 4 0.986 -7.103 -5.715 1.00 63.21 C ATOM 39 C GLU A 4 -0.309 -6.656 -6.396 1.00 2.11 C ATOM 40 O GLU A 4 -0.542 -6.970 -7.562 1.00 24.52 O ATOM 41 CB GLU A 4 0.703 -8.129 -4.617 1.00 11.11 C ATOM 42 CG GLU A 4 1.980 -8.870 -4.215 1.00 4.20 C ATOM 43 CD GLU A 4 1.704 -9.865 -3.086 1.00 44.00 C ATOM 44 OE1 GLU A 4 0.683 -9.748 -2.392 1.00 12.45 O ATOM 45 OE2 GLU A 4 2.596 -10.787 -2.942 1.00 23.24 O1- ATOM 0 H GLU A 4 1.613 -5.828 -4.176 1.00 73.22 H new ATOM 0 HA GLU A 4 1.618 -7.585 -6.461 1.00 63.21 H new ATOM 0 HB2 GLU A 4 0.280 -7.628 -3.746 1.00 11.11 H new ATOM 0 HB3 GLU A 4 -0.042 -8.844 -4.966 1.00 11.11 H new ATOM 0 HG2 GLU A 4 2.386 -9.397 -5.078 1.00 4.20 H new ATOM 0 HG3 GLU A 4 2.736 -8.153 -3.896 1.00 4.20 H new ATOM 53 N LYS A 5 -1.117 -5.930 -5.638 1.00 75.34 N ATOM 54 CA LYS A 5 -2.384 -5.437 -6.154 1.00 44.05 C ATOM 55 C LYS A 5 -2.127 -4.602 -7.411 1.00 71.23 C ATOM 56 O LYS A 5 -2.596 -4.946 -8.495 1.00 12.12 O ATOM 57 CB LYS A 5 -3.150 -4.685 -5.063 1.00 52.33 C ATOM 58 CG LYS A 5 -3.577 -5.634 -3.941 1.00 25.44 C ATOM 59 CD LYS A 5 -4.803 -6.452 -4.351 1.00 53.34 C ATOM 60 CE LYS A 5 -6.021 -5.549 -4.554 1.00 54.44 C ATOM 61 NZ LYS A 5 -7.272 -6.309 -4.333 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.920 -5.671 -4.671 1.00 75.34 H new ATOM 0 HA LYS A 5 -3.025 -6.268 -6.448 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.524 -3.892 -4.655 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -4.029 -4.207 -5.494 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -2.754 -6.305 -3.694 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -3.802 -5.061 -3.041 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -4.591 -6.995 -5.272 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -5.021 -7.196 -3.585 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -5.975 -4.705 -3.865 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -6.012 -5.137 -5.563 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -8.089 -5.681 -4.475 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -7.322 -7.100 -5.007 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -7.285 -6.681 -3.362 1.00 55.34 H new ATOM 74 N GLY A 6 -1.383 -3.523 -7.225 1.00 50.24 N ATOM 75 CA GLY A 6 -1.059 -2.636 -8.329 1.00 73.13 C ATOM 76 C GLY A 6 -0.695 -3.435 -9.583 1.00 54.42 C ATOM 77 O GLY A 6 -1.044 -3.043 -10.696 1.00 0.33 O ATOM 0 H GLY A 6 -0.994 -3.242 -6.325 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.909 -1.987 -8.541 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.226 -1.990 -8.050 1.00 73.13 H new ATOM 81 N LYS A 7 0.000 -4.540 -9.361 1.00 72.11 N ATOM 82 CA LYS A 7 0.416 -5.398 -10.459 1.00 33.13 C ATOM 83 C LYS A 7 -0.820 -5.856 -11.237 1.00 72.23 C ATOM 84 O LYS A 7 -0.952 -5.568 -12.425 1.00 11.22 O ATOM 85 CB LYS A 7 1.279 -6.550 -9.943 1.00 21.32 C ATOM 86 CG LYS A 7 1.969 -7.279 -11.098 1.00 61.52 C ATOM 87 CD LYS A 7 2.786 -8.466 -10.587 1.00 32.11 C ATOM 88 CE LYS A 7 4.181 -8.021 -10.142 1.00 14.32 C ATOM 89 NZ LYS A 7 5.004 -9.192 -9.767 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.286 -4.862 -8.437 1.00 72.11 H new ATOM 0 HA LYS A 7 1.047 -4.846 -11.156 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.029 -6.166 -9.251 1.00 21.32 H new ATOM 0 HB3 LYS A 7 0.659 -7.251 -9.384 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.222 -7.627 -11.811 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.621 -6.587 -11.632 1.00 61.52 H new ATOM 0 HD2 LYS A 7 2.267 -8.937 -9.752 1.00 32.11 H new ATOM 0 HD3 LYS A 7 2.873 -9.217 -11.372 1.00 32.11 H new ATOM 0 HE2 LYS A 7 4.667 -7.470 -10.947 1.00 14.32 H new ATOM 0 HE3 LYS A 7 4.099 -7.341 -9.294 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 5.947 -8.872 -9.468 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 4.547 -9.701 -8.984 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 5.098 -9.827 -10.585 1.00 44.20 H new ATOM 102 N LYS A 8 -1.694 -6.562 -10.534 1.00 14.31 N ATOM 103 CA LYS A 8 -2.914 -7.063 -11.144 1.00 71.23 C ATOM 104 C LYS A 8 -3.659 -5.904 -11.809 1.00 33.24 C ATOM 105 O LYS A 8 -4.178 -6.049 -12.915 1.00 33.30 O ATOM 106 CB LYS A 8 -3.753 -7.825 -10.116 1.00 4.10 C ATOM 107 CG LYS A 8 -2.897 -8.836 -9.351 1.00 33.13 C ATOM 108 CD LYS A 8 -3.764 -9.940 -8.742 1.00 22.11 C ATOM 109 CE LYS A 8 -2.914 -11.147 -8.341 1.00 14.34 C ATOM 110 NZ LYS A 8 -2.322 -10.942 -7.000 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.581 -6.799 -9.548 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.681 -7.784 -11.928 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -4.204 -7.122 -9.416 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.570 -8.342 -10.619 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -2.160 -9.276 -10.023 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -2.344 -8.326 -8.562 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -4.289 -9.554 -7.868 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -4.524 -10.248 -9.460 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -3.528 -12.047 -8.340 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -2.123 -11.302 -9.074 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -1.748 -11.771 -6.743 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -1.720 -10.094 -7.012 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -3.082 -10.817 -6.301 1.00 11.43 H new ATOM 123 N ILE A 9 -3.689 -4.781 -11.108 1.00 15.44 N ATOM 124 CA ILE A 9 -4.362 -3.599 -11.616 1.00 60.11 C ATOM 125 C ILE A 9 -3.687 -3.151 -12.915 1.00 15.22 C ATOM 126 O ILE A 9 -4.180 -3.435 -14.005 1.00 74.43 O ATOM 127 CB ILE A 9 -4.416 -2.508 -10.544 1.00 1.54 C ATOM 128 CG1 ILE A 9 -5.021 -3.047 -9.245 1.00 64.24 C ATOM 129 CG2 ILE A 9 -5.160 -1.274 -11.054 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.474 -2.293 -8.032 1.00 25.42 C ATOM 0 H ILE A 9 -3.257 -4.665 -10.191 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.400 -3.828 -11.857 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.395 -2.197 -10.320 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -6.106 -2.952 -9.278 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.797 -4.109 -9.149 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.184 -0.515 -10.272 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.648 -0.877 -11.931 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -6.180 -1.549 -11.323 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.920 -2.695 -7.122 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.391 -2.411 -7.988 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.721 -1.235 -8.120 1.00 25.42 H new ATOM 142 N PHE A 10 -2.569 -2.459 -12.754 1.00 13.32 N ATOM 143 CA PHE A 10 -1.821 -1.969 -13.899 1.00 72.43 C ATOM 144 C PHE A 10 -1.866 -2.973 -15.053 1.00 75.11 C ATOM 145 O PHE A 10 -2.021 -2.586 -16.211 1.00 2.34 O ATOM 146 CB PHE A 10 -0.370 -1.796 -13.445 1.00 70.22 C ATOM 147 CG PHE A 10 0.358 -0.630 -14.118 1.00 44.23 C ATOM 148 CD1 PHE A 10 0.219 0.631 -13.628 1.00 42.21 C ATOM 149 CD2 PHE A 10 1.143 -0.855 -15.204 1.00 11.20 C ATOM 150 CE1 PHE A 10 0.895 1.714 -14.253 1.00 53.34 C ATOM 151 CE2 PHE A 10 1.819 0.226 -15.829 1.00 43.23 C ATOM 152 CZ PHE A 10 1.680 1.487 -15.340 1.00 42.41 C ATOM 0 H PHE A 10 -2.163 -2.226 -11.848 1.00 13.32 H new ATOM 0 HA PHE A 10 -2.251 -1.031 -14.251 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.353 -1.647 -12.365 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.176 -2.717 -13.648 1.00 70.22 H new ATOM 0 HD1 PHE A 10 -0.405 0.809 -12.765 1.00 42.21 H new ATOM 0 HD2 PHE A 10 1.253 -1.857 -15.592 1.00 11.20 H new ATOM 0 HE1 PHE A 10 0.785 2.716 -13.865 1.00 53.34 H new ATOM 0 HE2 PHE A 10 2.443 0.047 -16.692 1.00 43.23 H new ATOM 0 HZ PHE A 10 2.194 2.309 -15.815 1.00 42.41 H new ATOM 162 N ILE A 11 -1.727 -4.242 -14.697 1.00 62.12 N ATOM 163 CA ILE A 11 -1.749 -5.304 -15.688 1.00 45.21 C ATOM 164 C ILE A 11 -2.899 -5.058 -16.667 1.00 24.11 C ATOM 165 O ILE A 11 -2.698 -5.062 -17.880 1.00 4.32 O ATOM 166 CB ILE A 11 -1.804 -6.671 -15.007 1.00 64.23 C ATOM 167 CG1 ILE A 11 -0.406 -7.136 -14.594 1.00 24.22 C ATOM 168 CG2 ILE A 11 -2.511 -7.699 -15.893 1.00 33.21 C ATOM 169 CD1 ILE A 11 -0.484 -8.260 -13.560 1.00 43.25 C ATOM 0 H ILE A 11 -1.599 -4.558 -13.736 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.828 -5.301 -16.270 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.393 -6.573 -14.095 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.140 -7.482 -15.472 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.153 -6.296 -14.182 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -2.536 -8.662 -15.384 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -3.530 -7.368 -16.093 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.971 -7.800 -16.835 1.00 33.21 H new ATOM 0 HD11 ILE A 11 0.524 -8.571 -13.284 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -1.009 -7.903 -12.674 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -1.022 -9.108 -13.984 1.00 43.25 H new ATOM 181 N MET A 12 -4.080 -4.849 -16.103 1.00 20.04 N ATOM 182 CA MET A 12 -5.262 -4.602 -16.910 1.00 73.11 C ATOM 183 C MET A 12 -5.764 -3.168 -16.723 1.00 2.53 C ATOM 184 O MET A 12 -6.946 -2.889 -16.923 1.00 61.15 O ATOM 185 CB MET A 12 -6.365 -5.586 -16.516 1.00 10.44 C ATOM 186 CG MET A 12 -7.334 -5.818 -17.677 1.00 20.33 C ATOM 187 SD MET A 12 -8.978 -6.119 -17.050 1.00 23.32 S ATOM 188 CE MET A 12 -8.581 -7.003 -15.551 1.00 74.43 C ATOM 0 H MET A 12 -4.243 -4.846 -15.096 1.00 20.04 H new ATOM 0 HA MET A 12 -4.998 -4.740 -17.959 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.920 -6.534 -16.214 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.910 -5.201 -15.654 1.00 10.44 H new ATOM 0 HG2 MET A 12 -7.340 -4.949 -18.335 1.00 20.33 H new ATOM 0 HG3 MET A 12 -7.002 -6.668 -18.274 1.00 20.33 H new ATOM 0 HE1 MET A 12 -9.422 -7.637 -15.269 1.00 74.43 H new ATOM 0 HE2 MET A 12 -7.699 -7.622 -15.716 1.00 74.43 H new ATOM 0 HE3 MET A 12 -8.379 -6.291 -14.751 1.00 74.43 H new ATOM 198 N LYS A 13 -4.842 -2.298 -16.340 1.00 3.23 N ATOM 199 CA LYS A 13 -5.177 -0.900 -16.123 1.00 42.12 C ATOM 200 C LYS A 13 -4.342 -0.028 -17.063 1.00 34.24 C ATOM 201 O LYS A 13 -4.882 0.617 -17.960 1.00 23.10 O ATOM 202 CB LYS A 13 -5.021 -0.535 -14.645 1.00 13.54 C ATOM 203 CG LYS A 13 -6.100 0.458 -14.209 1.00 61.54 C ATOM 204 CD LYS A 13 -7.293 -0.268 -13.584 1.00 54.44 C ATOM 205 CE LYS A 13 -8.078 -1.046 -14.642 1.00 54.34 C ATOM 206 NZ LYS A 13 -8.543 -0.138 -15.714 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.863 -2.533 -16.174 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.224 -0.717 -16.364 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.084 -1.436 -14.035 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.035 -0.103 -14.475 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.682 1.163 -13.491 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -6.433 1.039 -15.069 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -6.943 -0.951 -12.811 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.949 0.454 -13.098 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.450 -1.829 -15.067 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.933 -1.540 -14.179 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -9.571 -0.239 -15.833 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -8.319 0.845 -15.458 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -8.066 -0.381 -16.606 1.00 20.13 H new ATOM 219 N CYS A 14 -3.039 -0.038 -16.825 1.00 0.42 N ATOM 220 CA CYS A 14 -2.124 0.745 -17.639 1.00 73.31 C ATOM 221 C CYS A 14 -1.422 -0.201 -18.615 1.00 61.22 C ATOM 222 O CYS A 14 -1.424 0.035 -19.822 1.00 3.21 O ATOM 223 CB CYS A 14 -1.125 1.522 -16.779 1.00 23.12 C ATOM 224 SG CYS A 14 -1.865 2.429 -15.372 1.00 24.50 S ATOM 0 H CYS A 14 -2.595 -0.575 -16.081 1.00 0.42 H new ATOM 0 HA CYS A 14 -2.682 1.496 -18.199 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.381 0.825 -16.393 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -0.597 2.233 -17.414 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.140 2.247 -14.309 1.00 24.50 H new ATOM 229 N SER A 15 -0.839 -1.251 -18.057 1.00 53.01 N ATOM 230 CA SER A 15 -0.135 -2.233 -18.864 1.00 44.23 C ATOM 231 C SER A 15 -0.892 -2.476 -20.171 1.00 0.15 C ATOM 232 O SER A 15 -0.285 -2.788 -21.195 1.00 13.43 O ATOM 233 CB SER A 15 0.043 -3.548 -18.101 1.00 10.33 C ATOM 234 OG SER A 15 1.058 -3.453 -17.105 1.00 53.25 O ATOM 0 H SER A 15 -0.840 -1.444 -17.055 1.00 53.01 H new ATOM 0 HA SER A 15 0.856 -1.840 -19.093 1.00 44.23 H new ATOM 0 HB2 SER A 15 -0.901 -3.826 -17.632 1.00 10.33 H new ATOM 0 HB3 SER A 15 0.296 -4.343 -18.802 1.00 10.33 H new ATOM 0 HG SER A 15 1.658 -2.708 -17.319 1.00 53.25 H new ATOM 240 N GLN A 16 -2.205 -2.324 -20.094 1.00 52.31 N ATOM 241 CA GLN A 16 -3.051 -2.523 -21.259 1.00 24.53 C ATOM 242 C GLN A 16 -2.398 -1.911 -22.499 1.00 24.04 C ATOM 243 O GLN A 16 -2.302 -2.561 -23.540 1.00 52.22 O ATOM 244 CB GLN A 16 -4.446 -1.938 -21.028 1.00 34.30 C ATOM 245 CG GLN A 16 -5.046 -2.452 -19.718 1.00 64.14 C ATOM 246 CD GLN A 16 -6.575 -2.463 -19.782 1.00 25.22 C ATOM 247 OE1 GLN A 16 -7.090 -3.614 -20.205 1.00 33.12 O flip ATOM 248 NE2 GLN A 16 -7.243 -1.492 -19.467 1.00 5.30 N flip ATOM 0 H GLN A 16 -2.705 -2.065 -19.243 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.165 -3.594 -21.424 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.388 -0.850 -21.003 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -5.098 -2.204 -21.860 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -4.680 -3.459 -19.516 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -4.718 -1.822 -18.892 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -6.784 -0.638 -19.150 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -8.261 -1.534 -19.520 1.00 5.30 H new ATOM 257 N CYS A 17 -1.967 -0.667 -22.350 1.00 3.32 N ATOM 258 CA CYS A 17 -1.326 0.040 -23.446 1.00 24.21 C ATOM 259 C CYS A 17 0.122 0.334 -23.047 1.00 61.52 C ATOM 260 O CYS A 17 1.048 0.046 -23.802 1.00 14.11 O ATOM 261 CB CYS A 17 -2.085 1.314 -23.817 1.00 30.04 C ATOM 262 SG CYS A 17 -3.858 1.312 -23.364 1.00 4.14 S ATOM 0 H CYS A 17 -2.049 -0.130 -21.487 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.336 -0.584 -24.340 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.602 2.162 -23.332 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.000 1.471 -24.892 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.399 2.438 -23.723 1.00 4.14 H new ATOM 267 N HIS A 18 0.270 0.903 -21.860 1.00 62.50 N ATOM 268 CA HIS A 18 1.589 1.239 -21.351 1.00 4.04 C ATOM 269 C HIS A 18 2.437 -0.031 -21.244 1.00 22.22 C ATOM 270 O HIS A 18 1.935 -1.135 -21.445 1.00 62.34 O ATOM 271 CB HIS A 18 1.484 1.996 -20.026 1.00 40.31 C ATOM 272 CG HIS A 18 0.975 3.410 -20.164 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.728 4.424 -20.730 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.216 3.969 -19.806 1.00 25.02 C ATOM 275 CE1 HIS A 18 1.012 5.539 -20.707 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.192 5.254 -20.134 1.00 53.31 N ATOM 0 H HIS A 18 -0.501 1.140 -21.236 1.00 62.50 H new ATOM 0 HA HIS A 18 2.091 1.911 -22.047 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.822 1.446 -19.357 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.466 2.019 -19.554 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.673 4.329 -21.102 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.040 3.453 -19.335 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.327 6.504 -21.077 1.00 64.43 H new ATOM 284 N THR A 19 3.707 0.170 -20.927 1.00 13.43 N ATOM 285 CA THR A 19 4.630 -0.944 -20.790 1.00 60.21 C ATOM 286 C THR A 19 5.848 -0.530 -19.964 1.00 32.10 C ATOM 287 O THR A 19 6.653 0.289 -20.406 1.00 32.41 O ATOM 288 CB THR A 19 4.986 -1.438 -22.194 1.00 74.25 C ATOM 289 OG1 THR A 19 5.094 -0.243 -22.964 1.00 32.15 O ATOM 290 CG2 THR A 19 3.839 -2.205 -22.856 1.00 61.22 C ATOM 0 H THR A 19 4.119 1.088 -20.761 1.00 13.43 H new ATOM 0 HA THR A 19 4.174 -1.770 -20.245 1.00 60.21 H new ATOM 0 HB THR A 19 5.866 -2.079 -22.140 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.668 0.398 -22.495 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.146 -2.532 -23.849 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.585 -3.075 -22.250 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.968 -1.555 -22.941 1.00 61.22 H new ATOM 298 N VAL A 20 5.947 -1.114 -18.779 1.00 73.30 N ATOM 299 CA VAL A 20 7.054 -0.816 -17.887 1.00 62.41 C ATOM 300 C VAL A 20 8.249 -1.697 -18.252 1.00 42.31 C ATOM 301 O VAL A 20 8.802 -2.386 -17.396 1.00 23.32 O ATOM 302 CB VAL A 20 6.612 -0.982 -16.432 1.00 73.02 C ATOM 303 CG1 VAL A 20 5.275 -0.281 -16.180 1.00 11.15 C ATOM 304 CG2 VAL A 20 6.536 -2.461 -16.047 1.00 54.03 C ATOM 0 H VAL A 20 5.278 -1.793 -18.416 1.00 73.30 H new ATOM 0 HA VAL A 20 7.368 0.221 -18.002 1.00 62.41 H new ATOM 0 HB VAL A 20 7.363 -0.509 -15.799 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.985 -0.415 -15.138 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.376 0.783 -16.395 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.511 -0.711 -16.828 1.00 11.15 H new ATOM 0 HG21 VAL A 20 6.220 -2.551 -15.008 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.817 -2.968 -16.690 1.00 54.03 H new ATOM 0 HG23 VAL A 20 7.517 -2.919 -16.168 1.00 54.03 H new ATOM 314 N GLU A 21 8.613 -1.647 -19.526 1.00 2.20 N ATOM 315 CA GLU A 21 9.734 -2.432 -20.015 1.00 22.52 C ATOM 316 C GLU A 21 10.635 -1.573 -20.904 1.00 34.35 C ATOM 317 O GLU A 21 10.178 -1.008 -21.897 1.00 52.54 O ATOM 318 CB GLU A 21 9.247 -3.674 -20.765 1.00 61.35 C ATOM 319 CG GLU A 21 8.028 -3.350 -21.630 1.00 1.24 C ATOM 320 CD GLU A 21 7.921 -4.317 -22.810 1.00 73.45 C ATOM 321 OE1 GLU A 21 8.610 -4.138 -23.825 1.00 31.11 O ATOM 322 OE2 GLU A 21 7.084 -5.286 -22.646 1.00 44.15 O1- ATOM 0 H GLU A 21 8.151 -1.075 -20.234 1.00 2.20 H new ATOM 0 HA GLU A 21 10.317 -2.770 -19.159 1.00 22.52 H new ATOM 0 HB2 GLU A 21 10.049 -4.062 -21.392 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.993 -4.458 -20.051 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.123 -3.407 -21.025 1.00 1.24 H new ATOM 0 HG3 GLU A 21 8.101 -2.327 -21.999 1.00 1.24 H new ATOM 330 N LYS A 22 11.901 -1.503 -20.518 1.00 34.22 N ATOM 331 CA LYS A 22 12.870 -0.723 -21.268 1.00 44.40 C ATOM 332 C LYS A 22 12.627 -0.919 -22.765 1.00 4.32 C ATOM 333 O LYS A 22 12.086 -1.943 -23.181 1.00 2.32 O ATOM 334 CB LYS A 22 14.293 -1.068 -20.824 1.00 74.13 C ATOM 335 CG LYS A 22 15.259 0.076 -21.141 1.00 50.22 C ATOM 336 CD LYS A 22 16.545 -0.049 -20.321 1.00 63.22 C ATOM 337 CE LYS A 22 17.348 1.253 -20.360 1.00 63.42 C ATOM 338 NZ LYS A 22 17.867 1.501 -21.724 1.00 43.00 N1+ ATOM 0 H LYS A 22 12.278 -1.974 -19.695 1.00 34.22 H new ATOM 0 HA LYS A 22 12.746 0.340 -21.062 1.00 44.40 H new ATOM 0 HB2 LYS A 22 14.304 -1.272 -19.753 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.624 -1.978 -21.325 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.499 0.070 -22.204 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.779 1.031 -20.928 1.00 50.22 H new ATOM 0 HD2 LYS A 22 16.300 -0.299 -19.289 1.00 63.22 H new ATOM 0 HD3 LYS A 22 17.151 -0.866 -20.711 1.00 63.22 H new ATOM 0 HE2 LYS A 22 16.718 2.085 -20.047 1.00 63.42 H new ATOM 0 HE3 LYS A 22 18.176 1.198 -19.654 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 18.438 2.370 -21.726 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 18.458 0.699 -22.022 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 17.071 1.609 -22.384 1.00 43.00 H new ATOM 351 N GLY A 23 13.039 0.077 -23.535 1.00 52.14 N ATOM 352 CA GLY A 23 12.873 0.027 -24.977 1.00 30.32 C ATOM 353 C GLY A 23 11.451 -0.394 -25.352 1.00 2.14 C ATOM 354 O GLY A 23 11.243 -1.060 -26.365 1.00 23.14 O ATOM 0 H GLY A 23 13.488 0.924 -23.187 1.00 52.14 H new ATOM 0 HA2 GLY A 23 13.091 1.005 -25.406 1.00 30.32 H new ATOM 0 HA3 GLY A 23 13.589 -0.675 -25.405 1.00 30.32 H new ATOM 358 N GLY A 24 10.508 0.012 -24.513 1.00 32.53 N ATOM 359 CA GLY A 24 9.111 -0.315 -24.743 1.00 33.34 C ATOM 360 C GLY A 24 8.683 0.071 -26.161 1.00 72.53 C ATOM 361 O GLY A 24 9.511 0.487 -26.971 1.00 13.20 O ATOM 0 H GLY A 24 10.684 0.564 -23.674 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.954 -1.383 -24.590 1.00 33.34 H new ATOM 0 HA3 GLY A 24 8.488 0.206 -24.017 1.00 33.34 H new ATOM 365 N LYS A 25 7.392 -0.079 -26.417 1.00 11.42 N ATOM 366 CA LYS A 25 6.845 0.249 -27.723 1.00 2.02 C ATOM 367 C LYS A 25 5.936 1.473 -27.597 1.00 31.52 C ATOM 368 O LYS A 25 5.386 1.735 -26.528 1.00 72.44 O ATOM 369 CB LYS A 25 6.154 -0.970 -28.335 1.00 24.30 C ATOM 370 CG LYS A 25 7.058 -2.203 -28.273 1.00 22.43 C ATOM 371 CD LYS A 25 7.890 -2.337 -29.551 1.00 53.42 C ATOM 372 CE LYS A 25 9.033 -3.335 -29.358 1.00 11.53 C ATOM 373 NZ LYS A 25 9.590 -3.746 -30.666 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.709 -0.423 -25.743 1.00 11.42 H new ATOM 0 HA LYS A 25 7.644 0.515 -28.415 1.00 2.02 H new ATOM 0 HB2 LYS A 25 5.224 -1.170 -27.803 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.890 -0.760 -29.372 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.720 -2.130 -27.410 1.00 22.43 H new ATOM 0 HG3 LYS A 25 6.451 -3.097 -28.135 1.00 22.43 H new ATOM 0 HD2 LYS A 25 7.252 -2.664 -30.372 1.00 53.42 H new ATOM 0 HD3 LYS A 25 8.295 -1.364 -29.829 1.00 53.42 H new ATOM 0 HE2 LYS A 25 9.816 -2.886 -28.748 1.00 11.53 H new ATOM 0 HE3 LYS A 25 8.672 -4.211 -28.819 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 10.365 -4.423 -30.516 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 8.844 -4.194 -31.236 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 9.953 -2.910 -31.167 1.00 63.31 H new ATOM 386 N HIS A 26 5.806 2.190 -28.703 1.00 25.51 N ATOM 387 CA HIS A 26 4.973 3.380 -28.730 1.00 74.44 C ATOM 388 C HIS A 26 3.550 3.001 -29.141 1.00 45.22 C ATOM 389 O HIS A 26 2.911 3.715 -29.912 1.00 2.22 O ATOM 390 CB HIS A 26 5.585 4.452 -29.634 1.00 11.11 C ATOM 391 CG HIS A 26 6.651 5.286 -28.963 1.00 12.42 C ATOM 392 ND1 HIS A 26 7.383 6.338 -29.428 1.00 62.23 N flip ATOM 393 CD2 HIS A 26 7.064 5.067 -27.660 1.00 45.21 C flip ATOM 394 CE1 HIS A 26 8.199 6.742 -28.461 1.00 75.04 C flip ATOM 395 NE2 HIS A 26 8.003 5.955 -27.364 1.00 43.14 N flip ATOM 0 H HIS A 26 6.264 1.970 -29.588 1.00 25.51 H new ATOM 0 HA HIS A 26 4.922 3.815 -27.732 1.00 74.44 H new ATOM 0 HB2 HIS A 26 6.014 3.970 -30.512 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.792 5.111 -29.988 1.00 11.11 H new ATOM 0 HD1 HIS A 26 7.315 6.746 -30.361 1.00 62.23 H new ATOM 0 HD2 HIS A 26 6.686 4.303 -26.997 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.902 7.559 -28.532 1.00 75.04 H new ATOM 403 N LYS A 27 3.093 1.877 -28.607 1.00 44.03 N ATOM 404 CA LYS A 27 1.757 1.394 -28.908 1.00 53.42 C ATOM 405 C LYS A 27 0.734 2.469 -28.536 1.00 34.44 C ATOM 406 O LYS A 27 1.093 3.627 -28.329 1.00 33.44 O ATOM 407 CB LYS A 27 1.508 0.046 -28.228 1.00 74.10 C ATOM 408 CG LYS A 27 2.568 -0.978 -28.635 1.00 42.43 C ATOM 409 CD LYS A 27 2.130 -1.757 -29.877 1.00 54.03 C ATOM 410 CE LYS A 27 0.984 -2.715 -29.546 1.00 14.52 C ATOM 411 NZ LYS A 27 -0.323 -2.055 -29.767 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.625 1.287 -27.967 1.00 44.03 H new ATOM 0 HA LYS A 27 1.651 1.210 -29.977 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.517 0.174 -27.146 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.518 -0.323 -28.497 1.00 74.10 H new ATOM 0 HG2 LYS A 27 3.512 -0.470 -28.834 1.00 42.43 H new ATOM 0 HG3 LYS A 27 2.746 -1.670 -27.811 1.00 42.43 H new ATOM 0 HD2 LYS A 27 1.814 -1.061 -30.655 1.00 54.03 H new ATOM 0 HD3 LYS A 27 2.975 -2.319 -30.275 1.00 54.03 H new ATOM 0 HE2 LYS A 27 1.057 -3.608 -30.167 1.00 14.52 H new ATOM 0 HE3 LYS A 27 1.063 -3.041 -28.509 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -0.769 -1.852 -28.850 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 -0.179 -1.166 -30.287 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 -0.940 -2.683 -30.320 1.00 5.14 H new ATOM 424 N THR A 28 -0.520 2.048 -28.461 1.00 74.51 N ATOM 425 CA THR A 28 -1.597 2.959 -28.117 1.00 2.42 C ATOM 426 C THR A 28 -1.143 3.935 -27.029 1.00 41.14 C ATOM 427 O THR A 28 -1.622 5.066 -26.964 1.00 32.05 O ATOM 428 CB THR A 28 -2.814 2.124 -27.714 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.314 1.621 -28.949 1.00 43.31 O ATOM 430 CG2 THR A 28 -3.959 2.982 -27.169 1.00 32.01 C ATOM 0 H THR A 28 -0.814 1.087 -28.633 1.00 74.51 H new ATOM 0 HA THR A 28 -1.878 3.578 -28.969 1.00 2.42 H new ATOM 0 HB THR A 28 -2.519 1.393 -26.962 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.104 1.066 -28.780 1.00 43.31 H new ATOM 0 HG21 THR A 28 -4.797 2.340 -26.898 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.619 3.526 -26.288 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.277 3.692 -27.933 1.00 32.01 H new ATOM 438 N GLY A 29 -0.223 3.461 -26.201 1.00 64.54 N ATOM 439 CA GLY A 29 0.301 4.277 -25.119 1.00 55.30 C ATOM 440 C GLY A 29 1.831 4.299 -25.140 1.00 1.42 C ATOM 441 O GLY A 29 2.461 3.371 -25.645 1.00 41.14 O ATOM 0 H GLY A 29 0.173 2.523 -26.258 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.082 5.294 -25.207 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.048 3.887 -24.163 1.00 55.30 H new ATOM 445 N PRO A 30 2.398 5.395 -24.570 1.00 74.54 N ATOM 446 CA PRO A 30 3.842 5.549 -24.519 1.00 74.11 C ATOM 447 C PRO A 30 4.454 4.636 -23.455 1.00 24.32 C ATOM 448 O PRO A 30 3.734 4.049 -22.649 1.00 24.23 O ATOM 449 CB PRO A 30 4.070 7.025 -24.238 1.00 41.30 C ATOM 450 CG PRO A 30 2.757 7.552 -23.684 1.00 54.01 C ATOM 451 CD PRO A 30 1.683 6.513 -23.962 1.00 12.13 C ATOM 0 HA PRO A 30 4.330 5.254 -25.448 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.880 7.166 -23.522 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.352 7.557 -25.147 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.841 7.737 -22.613 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.499 8.502 -24.152 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.179 6.209 -23.045 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.917 6.904 -24.632 1.00 12.13 H new ATOM 459 N ASN A 31 5.775 4.547 -23.485 1.00 21.33 N ATOM 460 CA ASN A 31 6.492 3.717 -22.532 1.00 33.24 C ATOM 461 C ASN A 31 6.587 4.450 -21.193 1.00 11.33 C ATOM 462 O ASN A 31 6.685 5.676 -21.158 1.00 70.42 O ATOM 463 CB ASN A 31 7.915 3.428 -23.015 1.00 44.34 C ATOM 464 CG ASN A 31 8.733 2.734 -21.925 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.551 3.336 -21.247 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.469 1.437 -21.793 1.00 71.13 N ATOM 0 H ASN A 31 6.368 5.036 -24.155 1.00 21.33 H new ATOM 0 HA ASN A 31 5.949 2.778 -22.427 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.880 2.799 -23.905 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.402 4.360 -23.302 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.963 0.885 -21.092 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.772 0.995 -22.393 1.00 71.13 H new ATOM 473 N LEU A 32 6.556 3.669 -20.124 1.00 25.52 N ATOM 474 CA LEU A 32 6.636 4.229 -18.785 1.00 3.12 C ATOM 475 C LEU A 32 7.996 3.883 -18.174 1.00 43.31 C ATOM 476 O LEU A 32 8.428 4.518 -17.213 1.00 21.41 O ATOM 477 CB LEU A 32 5.447 3.770 -17.939 1.00 53.22 C ATOM 478 CG LEU A 32 4.100 4.414 -18.271 1.00 2.33 C ATOM 479 CD1 LEU A 32 3.080 4.158 -17.160 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.263 5.907 -18.566 1.00 64.04 C ATOM 0 H LEU A 32 6.477 2.653 -20.157 1.00 25.52 H new ATOM 0 HA LEU A 32 6.569 5.316 -18.822 1.00 3.12 H new ATOM 0 HB2 LEU A 32 5.347 2.690 -18.045 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.674 3.968 -16.891 1.00 53.22 H new ATOM 0 HG LEU A 32 3.713 3.947 -19.177 1.00 2.33 H new ATOM 0 HD11 LEU A 32 2.131 4.627 -17.422 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.934 3.084 -17.041 1.00 33.31 H new ATOM 0 HD13 LEU A 32 3.447 4.580 -16.225 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.290 6.340 -18.799 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.683 6.407 -17.693 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.932 6.039 -19.416 1.00 64.04 H new ATOM 492 N HIS A 33 8.631 2.877 -18.757 1.00 23.30 N ATOM 493 CA HIS A 33 9.933 2.439 -18.282 1.00 74.15 C ATOM 494 C HIS A 33 10.867 3.646 -18.157 1.00 20.01 C ATOM 495 O HIS A 33 11.314 4.195 -19.162 1.00 41.10 O ATOM 496 CB HIS A 33 10.500 1.342 -19.184 1.00 31.34 C ATOM 497 CG HIS A 33 11.739 0.675 -18.636 1.00 51.32 C ATOM 498 ND1 HIS A 33 11.896 -0.506 -17.971 1.00 11.24 N flip ATOM 499 CD2 HIS A 33 13.001 1.231 -18.748 1.00 72.42 C flip ATOM 500 CE1 HIS A 33 13.184 -0.663 -17.692 1.00 33.45 C flip ATOM 501 NE2 HIS A 33 13.871 0.413 -18.173 1.00 33.01 N flip ATOM 0 H HIS A 33 8.269 2.353 -19.553 1.00 23.30 H new ATOM 0 HA HIS A 33 9.832 1.997 -17.291 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.733 0.585 -19.344 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.732 1.771 -20.159 1.00 31.34 H new ATOM 0 HD1 HIS A 33 11.150 -1.158 -17.729 1.00 11.24 H new ATOM 0 HD2 HIS A 33 13.237 2.172 -19.223 1.00 72.42 H new ATOM 0 HE1 HIS A 33 13.617 -1.504 -17.170 1.00 33.45 H new ATOM 509 N GLY A 34 11.133 4.022 -16.914 1.00 13.14 N ATOM 510 CA GLY A 34 12.004 5.151 -16.645 1.00 20.04 C ATOM 511 C GLY A 34 11.273 6.476 -16.878 1.00 32.42 C ATOM 512 O GLY A 34 11.805 7.376 -17.526 1.00 44.34 O ATOM 0 H GLY A 34 10.760 3.564 -16.083 1.00 13.14 H new ATOM 0 HA2 GLY A 34 12.359 5.104 -15.616 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.883 5.098 -17.288 1.00 20.04 H new ATOM 516 N LEU A 35 10.066 6.551 -16.338 1.00 32.24 N ATOM 517 CA LEU A 35 9.257 7.750 -16.479 1.00 31.25 C ATOM 518 C LEU A 35 9.558 8.703 -15.320 1.00 52.04 C ATOM 519 O LEU A 35 10.215 9.727 -15.509 1.00 22.11 O ATOM 520 CB LEU A 35 7.776 7.385 -16.605 1.00 41.23 C ATOM 521 CG LEU A 35 6.780 8.474 -16.202 1.00 31.03 C ATOM 522 CD1 LEU A 35 6.722 9.582 -17.256 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.401 7.877 -15.919 1.00 1.05 C ATOM 0 H LEU A 35 9.628 5.801 -15.802 1.00 32.24 H new ATOM 0 HA LEU A 35 9.512 8.275 -17.399 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.578 7.104 -17.640 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.586 6.503 -15.994 1.00 41.23 H new ATOM 0 HG LEU A 35 7.129 8.931 -15.276 1.00 31.03 H new ATOM 0 HD11 LEU A 35 6.007 10.343 -16.945 1.00 5.42 H new ATOM 0 HD12 LEU A 35 7.708 10.033 -17.364 1.00 5.42 H new ATOM 0 HD13 LEU A 35 6.410 9.160 -18.211 1.00 5.42 H new ATOM 0 HD21 LEU A 35 4.712 8.672 -15.635 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.030 7.378 -16.814 1.00 1.05 H new ATOM 0 HD23 LEU A 35 5.477 7.155 -15.106 1.00 1.05 H new ATOM 535 N PHE A 36 9.065 8.333 -14.148 1.00 20.52 N ATOM 536 CA PHE A 36 9.274 9.143 -12.959 1.00 73.41 C ATOM 537 C PHE A 36 10.675 9.756 -12.952 1.00 62.01 C ATOM 538 O PHE A 36 11.669 9.042 -12.838 1.00 45.32 O ATOM 539 CB PHE A 36 9.133 8.211 -11.754 1.00 3.55 C ATOM 540 CG PHE A 36 7.770 7.522 -11.656 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.566 6.327 -12.272 1.00 55.31 C ATOM 542 CD2 PHE A 36 6.762 8.104 -10.953 1.00 21.25 C ATOM 543 CE1 PHE A 36 6.302 5.688 -12.181 1.00 43.54 C ATOM 544 CE2 PHE A 36 5.498 7.465 -10.862 1.00 11.12 C ATOM 545 CZ PHE A 36 5.294 6.270 -11.478 1.00 24.50 C ATOM 0 H PHE A 36 8.521 7.483 -13.995 1.00 20.52 H new ATOM 0 HA PHE A 36 8.550 9.958 -12.932 1.00 73.41 H new ATOM 0 HB2 PHE A 36 9.911 7.449 -11.804 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.306 8.784 -10.843 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.366 5.864 -12.831 1.00 55.31 H new ATOM 0 HD2 PHE A 36 6.923 9.053 -10.464 1.00 21.25 H new ATOM 0 HE1 PHE A 36 6.141 4.739 -12.670 1.00 43.54 H new ATOM 0 HE2 PHE A 36 4.698 7.928 -10.303 1.00 11.12 H new ATOM 0 HZ PHE A 36 4.332 5.784 -11.409 1.00 24.50 H new ATOM 555 N GLY A 37 10.709 11.076 -13.078 1.00 72.03 N ATOM 556 CA GLY A 37 11.972 11.794 -13.087 1.00 54.23 C ATOM 557 C GLY A 37 12.193 12.494 -14.430 1.00 11.10 C ATOM 558 O GLY A 37 13.288 12.982 -14.706 1.00 34.13 O ATOM 0 H GLY A 37 9.882 11.666 -13.175 1.00 72.03 H new ATOM 0 HA2 GLY A 37 11.982 12.530 -12.283 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.791 11.100 -12.895 1.00 54.23 H new ATOM 562 N ARG A 38 11.137 12.521 -15.228 1.00 20.32 N ATOM 563 CA ARG A 38 11.202 13.154 -16.535 1.00 21.31 C ATOM 564 C ARG A 38 9.913 13.928 -16.816 1.00 12.13 C ATOM 565 O ARG A 38 8.828 13.497 -16.426 1.00 64.01 O ATOM 566 CB ARG A 38 11.417 12.116 -17.639 1.00 72.11 C ATOM 567 CG ARG A 38 10.112 11.387 -17.966 1.00 4.21 C ATOM 568 CD ARG A 38 10.386 10.089 -18.730 1.00 70.22 C ATOM 569 NE ARG A 38 11.068 10.388 -20.009 1.00 24.34 N ATOM 570 CZ ARG A 38 11.524 9.447 -20.863 1.00 4.41 C ATOM 571 NH1 ARG A 38 11.373 8.136 -20.579 1.00 32.22 N ATOM 572 NH2 ARG A 38 12.120 9.828 -21.977 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.231 12.115 -14.995 1.00 20.32 H new ATOM 0 HA ARG A 38 12.048 13.842 -16.528 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.799 12.606 -18.535 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.172 11.395 -17.324 1.00 72.11 H new ATOM 0 HG2 ARG A 38 9.575 11.164 -17.044 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.469 12.035 -18.561 1.00 4.21 H new ATOM 0 HD2 ARG A 38 11.004 9.425 -18.125 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.449 9.566 -18.922 1.00 70.22 H new ATOM 0 HE ARG A 38 11.202 11.367 -20.261 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.912 7.851 -19.715 1.00 32.22 H new ATOM 0 HH12 ARG A 38 11.720 7.430 -21.229 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.231 10.821 -22.182 1.00 41.32 H new ATOM 0 HH22 ARG A 38 12.470 9.130 -22.633 1.00 41.32 H new ATOM 585 N LYS A 39 10.072 15.058 -17.490 1.00 13.22 N ATOM 586 CA LYS A 39 8.934 15.895 -17.827 1.00 74.33 C ATOM 587 C LYS A 39 8.049 15.163 -18.837 1.00 3.51 C ATOM 588 O LYS A 39 8.272 13.988 -19.127 1.00 62.53 O ATOM 589 CB LYS A 39 9.403 17.271 -18.304 1.00 1.41 C ATOM 590 CG LYS A 39 9.872 18.128 -17.127 1.00 54.01 C ATOM 591 CD LYS A 39 10.763 19.276 -17.607 1.00 44.05 C ATOM 592 CE LYS A 39 11.094 20.230 -16.456 1.00 41.14 C ATOM 593 NZ LYS A 39 9.946 21.121 -16.175 1.00 34.23 N1+ ATOM 0 H LYS A 39 10.972 15.413 -17.812 1.00 13.22 H new ATOM 0 HA LYS A 39 8.323 16.081 -16.943 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.216 17.154 -19.020 1.00 1.41 H new ATOM 0 HB3 LYS A 39 8.590 17.776 -18.825 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.008 18.530 -16.598 1.00 54.01 H new ATOM 0 HG3 LYS A 39 10.421 17.509 -16.417 1.00 54.01 H new ATOM 0 HD2 LYS A 39 11.685 18.874 -18.028 1.00 44.05 H new ATOM 0 HD3 LYS A 39 10.260 19.823 -18.404 1.00 44.05 H new ATOM 0 HE2 LYS A 39 11.345 19.658 -15.563 1.00 41.14 H new ATOM 0 HE3 LYS A 39 11.971 20.826 -16.710 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 10.216 21.817 -15.451 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 9.670 21.617 -17.046 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 9.144 20.556 -15.830 1.00 34.23 H new ATOM 606 N THR A 40 7.062 15.887 -19.345 1.00 65.31 N ATOM 607 CA THR A 40 6.142 15.321 -20.317 1.00 31.43 C ATOM 608 C THR A 40 6.680 15.512 -21.736 1.00 44.43 C ATOM 609 O THR A 40 7.509 16.389 -21.976 1.00 33.44 O ATOM 610 CB THR A 40 4.769 15.959 -20.096 1.00 11.21 C ATOM 611 OG1 THR A 40 4.965 17.330 -20.432 1.00 13.44 O ATOM 612 CG2 THR A 40 4.369 15.991 -18.619 1.00 70.11 C ATOM 0 H THR A 40 6.879 16.861 -19.102 1.00 65.31 H new ATOM 0 HA THR A 40 6.041 14.244 -20.185 1.00 31.43 H new ATOM 0 HB THR A 40 4.018 15.410 -20.664 1.00 11.21 H new ATOM 0 HG1 THR A 40 4.186 17.660 -20.927 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.387 16.453 -18.518 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.333 14.974 -18.230 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.102 16.569 -18.056 1.00 70.11 H new ATOM 620 N GLY A 41 6.187 14.679 -22.640 1.00 74.22 N ATOM 621 CA GLY A 41 6.607 14.745 -24.029 1.00 71.51 C ATOM 622 C GLY A 41 8.117 14.531 -24.155 1.00 41.34 C ATOM 623 O GLY A 41 8.866 15.479 -24.387 1.00 43.02 O ATOM 0 H GLY A 41 5.499 13.953 -22.437 1.00 74.22 H new ATOM 0 HA2 GLY A 41 6.079 13.988 -24.609 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.337 15.714 -24.449 1.00 71.51 H new ATOM 627 N GLN A 42 8.520 13.279 -23.995 1.00 44.12 N ATOM 628 CA GLN A 42 9.927 12.927 -24.089 1.00 73.11 C ATOM 629 C GLN A 42 10.147 11.909 -25.209 1.00 50.22 C ATOM 630 O GLN A 42 10.827 12.200 -26.192 1.00 50.14 O ATOM 631 CB GLN A 42 10.448 12.393 -22.753 1.00 52.53 C ATOM 632 CG GLN A 42 9.684 13.011 -21.580 1.00 41.42 C ATOM 633 CD GLN A 42 8.532 12.106 -21.138 1.00 13.22 C ATOM 634 OE1 GLN A 42 8.711 11.135 -20.421 1.00 42.03 O ATOM 635 NE2 GLN A 42 7.344 12.476 -21.607 1.00 33.53 N ATOM 0 H GLN A 42 7.897 12.495 -23.801 1.00 44.12 H new ATOM 0 HA GLN A 42 10.491 13.828 -24.329 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.347 11.308 -22.727 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.511 12.616 -22.658 1.00 52.53 H new ATOM 0 HG2 GLN A 42 10.364 13.174 -20.744 1.00 41.42 H new ATOM 0 HG3 GLN A 42 9.294 13.987 -21.869 1.00 41.42 H new ATOM 0 HE21 GLN A 42 7.265 13.300 -22.203 1.00 33.53 H new ATOM 0 HE22 GLN A 42 6.512 11.936 -21.371 1.00 33.53 H new ATOM 644 N ALA A 43 9.558 10.737 -25.024 1.00 21.43 N ATOM 645 CA ALA A 43 9.680 9.673 -26.008 1.00 13.43 C ATOM 646 C ALA A 43 9.584 10.271 -27.413 1.00 25.42 C ATOM 647 O ALA A 43 8.496 10.620 -27.869 1.00 21.44 O ATOM 648 CB ALA A 43 8.608 8.613 -25.749 1.00 52.04 C ATOM 0 H ALA A 43 8.995 10.500 -24.207 1.00 21.43 H new ATOM 0 HA ALA A 43 10.649 9.182 -25.925 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.699 7.815 -26.486 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.739 8.199 -24.749 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.620 9.068 -25.827 1.00 52.04 H new ATOM 654 N PRO A 44 10.766 10.373 -28.077 1.00 54.23 N ATOM 655 CA PRO A 44 10.824 10.922 -29.421 1.00 32.32 C ATOM 656 C PRO A 44 10.294 9.918 -30.447 1.00 45.34 C ATOM 657 O PRO A 44 10.173 8.730 -30.152 1.00 73.41 O ATOM 658 CB PRO A 44 12.286 11.277 -29.638 1.00 53.35 C ATOM 659 CG PRO A 44 13.065 10.491 -28.595 1.00 23.34 C ATOM 660 CD PRO A 44 12.073 9.969 -27.568 1.00 50.12 C ATOM 0 HA PRO A 44 10.192 11.801 -29.544 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.607 11.013 -30.646 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.449 12.348 -29.522 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.602 9.665 -29.062 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.811 11.126 -28.117 1.00 23.34 H new ATOM 0 HD2 PRO A 44 12.141 8.886 -27.467 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.263 10.394 -26.582 1.00 50.12 H new ATOM 668 N GLY A 45 9.993 10.433 -31.630 1.00 22.12 N ATOM 669 CA GLY A 45 9.479 9.596 -32.701 1.00 73.44 C ATOM 670 C GLY A 45 8.082 9.072 -32.365 1.00 55.25 C ATOM 671 O GLY A 45 7.555 8.206 -33.063 1.00 72.31 O ATOM 0 H GLY A 45 10.095 11.419 -31.870 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.444 10.167 -33.629 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.155 8.758 -32.869 1.00 73.44 H new ATOM 675 N TYR A 46 7.520 9.619 -31.297 1.00 11.53 N ATOM 676 CA TYR A 46 6.193 9.218 -30.860 1.00 1.24 C ATOM 677 C TYR A 46 5.132 10.202 -31.355 1.00 3.31 C ATOM 678 O TYR A 46 5.455 11.318 -31.757 1.00 11.32 O ATOM 679 CB TYR A 46 6.226 9.248 -29.331 1.00 41.13 C ATOM 680 CG TYR A 46 4.975 8.665 -28.671 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.356 7.560 -29.219 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.466 9.245 -27.526 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.179 7.012 -28.597 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.288 8.697 -26.905 1.00 32.21 C ATOM 685 CZ TYR A 46 2.703 7.607 -27.471 1.00 34.24 C ATOM 686 OH TYR A 46 1.591 7.090 -26.883 1.00 1.12 O ATOM 0 H TYR A 46 7.960 10.337 -30.721 1.00 11.53 H new ATOM 0 HA TYR A 46 5.940 8.233 -31.254 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.099 8.694 -28.986 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.352 10.279 -29.000 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.755 7.106 -30.114 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.951 10.109 -27.096 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.685 6.148 -29.016 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.878 9.141 -26.010 1.00 32.21 H new ATOM 0 HH TYR A 46 1.419 6.194 -27.240 1.00 1.12 H new ATOM 696 N SER A 47 3.887 9.752 -31.311 1.00 12.14 N ATOM 697 CA SER A 47 2.776 10.578 -31.751 1.00 63.25 C ATOM 698 C SER A 47 2.038 11.150 -30.539 1.00 53.23 C ATOM 699 O SER A 47 0.808 11.154 -30.501 1.00 5.24 O ATOM 700 CB SER A 47 1.812 9.782 -32.632 1.00 53.34 C ATOM 701 OG SER A 47 1.276 10.575 -33.688 1.00 2.34 O ATOM 0 H SER A 47 3.623 8.825 -30.977 1.00 12.14 H new ATOM 0 HA SER A 47 3.175 11.399 -32.347 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.332 8.921 -33.053 1.00 53.34 H new ATOM 0 HB3 SER A 47 0.997 9.394 -32.020 1.00 53.34 H new ATOM 0 HG SER A 47 0.666 10.031 -34.229 1.00 2.34 H new ATOM 707 N TYR A 48 2.820 11.621 -29.578 1.00 51.45 N ATOM 708 CA TYR A 48 2.256 12.193 -28.367 1.00 53.45 C ATOM 709 C TYR A 48 1.072 13.106 -28.693 1.00 22.32 C ATOM 710 O TYR A 48 0.857 13.461 -29.851 1.00 41.51 O ATOM 711 CB TYR A 48 3.371 13.032 -27.739 1.00 50.11 C ATOM 712 CG TYR A 48 4.131 12.316 -26.620 1.00 52.33 C ATOM 713 CD1 TYR A 48 3.437 11.622 -25.648 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.510 12.364 -26.581 1.00 33.34 C ATOM 715 CE1 TYR A 48 4.152 10.949 -24.595 1.00 15.30 C ATOM 716 CE2 TYR A 48 6.225 11.691 -25.529 1.00 74.44 C ATOM 717 CZ TYR A 48 5.511 11.016 -24.587 1.00 60.15 C ATOM 718 OH TYR A 48 6.186 10.381 -23.593 1.00 3.35 O ATOM 0 H TYR A 48 3.839 11.618 -29.614 1.00 51.45 H new ATOM 0 HA TYR A 48 1.897 11.407 -27.702 1.00 53.45 H new ATOM 0 HB2 TYR A 48 4.077 13.321 -28.517 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.941 13.951 -27.342 1.00 50.11 H new ATOM 0 HD1 TYR A 48 2.358 11.584 -25.678 1.00 54.41 H new ATOM 0 HD2 TYR A 48 6.053 12.907 -27.341 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.622 10.403 -23.829 1.00 15.30 H new ATOM 0 HE2 TYR A 48 7.304 11.721 -25.488 1.00 74.44 H new ATOM 0 HH TYR A 48 7.062 10.094 -23.924 1.00 3.35 H new ATOM 728 N THR A 49 0.333 13.458 -27.651 1.00 35.11 N ATOM 729 CA THR A 49 -0.824 14.322 -27.811 1.00 64.22 C ATOM 730 C THR A 49 -0.428 15.786 -27.615 1.00 54.14 C ATOM 731 O THR A 49 0.514 16.086 -26.884 1.00 75.51 O ATOM 732 CB THR A 49 -1.906 13.849 -26.838 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.376 14.163 -25.552 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.051 12.326 -26.819 1.00 63.01 C ATOM 0 H THR A 49 0.513 13.160 -26.692 1.00 35.11 H new ATOM 0 HA THR A 49 -1.227 14.260 -28.822 1.00 64.22 H new ATOM 0 HB THR A 49 -2.860 14.301 -27.108 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.014 13.891 -24.860 1.00 51.35 H new ATOM 0 HG21 THR A 49 -2.832 12.044 -26.113 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.318 11.974 -27.815 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.106 11.874 -26.516 1.00 63.01 H new ATOM 742 N ALA A 50 -1.168 16.660 -28.282 1.00 24.34 N ATOM 743 CA ALA A 50 -0.906 18.087 -28.190 1.00 24.32 C ATOM 744 C ALA A 50 -1.050 18.535 -26.735 1.00 54.32 C ATOM 745 O ALA A 50 -0.593 19.616 -26.366 1.00 62.11 O ATOM 746 CB ALA A 50 -1.848 18.841 -29.130 1.00 42.13 C ATOM 0 H ALA A 50 -1.949 16.408 -28.888 1.00 24.34 H new ATOM 0 HA ALA A 50 0.114 18.311 -28.503 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.651 19.911 -29.061 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.684 18.507 -30.155 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.881 18.643 -28.845 1.00 42.13 H new ATOM 752 N ALA A 51 -1.688 17.682 -25.947 1.00 13.53 N ATOM 753 CA ALA A 51 -1.899 17.977 -24.540 1.00 20.33 C ATOM 754 C ALA A 51 -0.816 17.284 -23.711 1.00 71.23 C ATOM 755 O ALA A 51 -0.429 17.778 -22.652 1.00 42.11 O ATOM 756 CB ALA A 51 -3.310 17.544 -24.134 1.00 31.52 C ATOM 0 H ALA A 51 -2.066 16.786 -26.256 1.00 13.53 H new ATOM 0 HA ALA A 51 -1.821 19.048 -24.356 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.469 17.765 -23.079 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.043 18.085 -24.732 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.424 16.473 -24.302 1.00 31.52 H new ATOM 762 N ASN A 52 -0.356 16.152 -24.223 1.00 33.55 N ATOM 763 CA ASN A 52 0.675 15.387 -23.541 1.00 3.30 C ATOM 764 C ASN A 52 1.830 16.318 -23.169 1.00 32.21 C ATOM 765 O ASN A 52 2.464 16.140 -22.129 1.00 0.33 O ATOM 766 CB ASN A 52 1.229 14.284 -24.445 1.00 62.11 C ATOM 767 CG ASN A 52 2.523 13.705 -23.872 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.600 13.854 -24.427 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.360 13.037 -22.734 1.00 24.25 N ATOM 0 H ASN A 52 -0.678 15.746 -25.102 1.00 33.55 H new ATOM 0 HA ASN A 52 0.231 14.937 -22.653 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.488 13.492 -24.554 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.415 14.685 -25.441 1.00 62.11 H new ATOM 0 HD21 ASN A 52 3.164 12.612 -22.272 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.431 12.950 -22.322 1.00 24.25 H new ATOM 776 N LYS A 53 2.070 17.289 -24.037 1.00 51.52 N ATOM 777 CA LYS A 53 3.139 18.248 -23.812 1.00 63.12 C ATOM 778 C LYS A 53 2.565 19.497 -23.140 1.00 71.04 C ATOM 779 O LYS A 53 3.151 20.022 -22.196 1.00 34.03 O ATOM 780 CB LYS A 53 3.882 18.538 -25.118 1.00 51.14 C ATOM 781 CG LYS A 53 4.169 17.246 -25.885 1.00 72.33 C ATOM 782 CD LYS A 53 3.246 17.111 -27.097 1.00 61.33 C ATOM 783 CE LYS A 53 3.841 17.814 -28.319 1.00 25.12 C ATOM 784 NZ LYS A 53 3.508 19.255 -28.301 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.543 17.433 -24.898 1.00 51.52 H new ATOM 0 HA LYS A 53 3.885 17.835 -23.133 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.287 19.208 -25.738 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.818 19.052 -24.901 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.209 17.237 -26.212 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.035 16.389 -25.224 1.00 72.33 H new ATOM 0 HD2 LYS A 53 3.086 16.056 -27.321 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.271 17.539 -26.866 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.923 17.685 -28.329 1.00 25.12 H new ATOM 0 HE3 LYS A 53 3.457 17.357 -29.231 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 3.626 19.650 -29.256 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 2.522 19.380 -27.994 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 4.142 19.750 -27.641 1.00 11.21 H new ATOM 797 N ASN A 54 1.425 19.935 -23.654 1.00 23.11 N ATOM 798 CA ASN A 54 0.765 21.112 -23.115 1.00 62.43 C ATOM 799 C ASN A 54 0.861 21.092 -21.588 1.00 74.05 C ATOM 800 O ASN A 54 1.143 22.115 -20.967 1.00 24.23 O ATOM 801 CB ASN A 54 -0.716 21.135 -23.495 1.00 40.12 C ATOM 802 CG ASN A 54 -1.301 22.540 -23.337 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.166 23.185 -22.310 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.957 22.976 -24.408 1.00 32.23 N ATOM 0 H ASN A 54 0.942 19.496 -24.438 1.00 23.11 H new ATOM 0 HA ASN A 54 1.257 21.993 -23.528 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.836 20.801 -24.526 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -1.267 20.435 -22.867 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.385 23.902 -24.402 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -2.032 22.385 -25.236 1.00 32.23 H new ATOM 811 N LYS A 55 0.622 19.915 -21.028 1.00 72.24 N ATOM 812 CA LYS A 55 0.679 19.748 -19.585 1.00 1.14 C ATOM 813 C LYS A 55 1.883 20.513 -19.034 1.00 53.42 C ATOM 814 O LYS A 55 1.732 21.600 -18.479 1.00 12.22 O ATOM 815 CB LYS A 55 0.672 18.263 -19.217 1.00 73.04 C ATOM 816 CG LYS A 55 0.318 18.065 -17.742 1.00 64.50 C ATOM 817 CD LYS A 55 -1.013 18.738 -17.402 1.00 75.50 C ATOM 818 CE LYS A 55 -0.787 20.095 -16.732 1.00 64.34 C ATOM 819 NZ LYS A 55 -1.877 21.033 -17.082 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.389 19.068 -21.547 1.00 72.24 H new ATOM 0 HA LYS A 55 -0.209 20.173 -19.117 1.00 1.14 H new ATOM 0 HB2 LYS A 55 -0.047 17.733 -19.842 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.651 17.830 -19.421 1.00 73.04 H new ATOM 0 HG2 LYS A 55 0.258 17.000 -17.519 1.00 64.50 H new ATOM 0 HG3 LYS A 55 1.109 18.478 -17.116 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.600 18.871 -18.311 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.592 18.094 -16.740 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -0.740 19.970 -15.650 1.00 64.34 H new ATOM 0 HE3 LYS A 55 0.171 20.508 -17.047 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -2.101 21.628 -16.259 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.575 21.636 -17.873 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -2.722 20.495 -17.360 1.00 3.42 H new ATOM 832 N GLY A 56 3.053 19.914 -19.207 1.00 41.10 N ATOM 833 CA GLY A 56 4.283 20.525 -18.733 1.00 23.55 C ATOM 834 C GLY A 56 4.429 20.363 -17.219 1.00 73.03 C ATOM 835 O GLY A 56 4.142 21.288 -16.462 1.00 71.12 O ATOM 0 H GLY A 56 3.175 19.013 -19.669 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.136 20.069 -19.235 1.00 23.55 H new ATOM 0 HA3 GLY A 56 4.290 21.584 -18.991 1.00 23.55 H new ATOM 839 N ILE A 57 4.876 19.179 -16.823 1.00 34.25 N ATOM 840 CA ILE A 57 5.063 18.884 -15.413 1.00 4.20 C ATOM 841 C ILE A 57 6.078 17.749 -15.265 1.00 44.42 C ATOM 842 O ILE A 57 6.536 17.187 -16.259 1.00 10.04 O ATOM 843 CB ILE A 57 3.718 18.598 -14.743 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.941 17.526 -15.507 1.00 23.30 C ATOM 845 CG2 ILE A 57 2.906 19.883 -14.572 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.255 16.129 -14.967 1.00 51.13 C ATOM 0 H ILE A 57 5.114 18.414 -17.454 1.00 34.25 H new ATOM 0 HA ILE A 57 5.474 19.750 -14.893 1.00 4.20 H new ATOM 0 HB ILE A 57 3.911 18.204 -13.745 1.00 10.34 H new ATOM 0 HG12 ILE A 57 1.871 17.719 -15.425 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.193 17.575 -16.566 1.00 23.30 H new ATOM 0 HG21 ILE A 57 1.955 19.651 -14.093 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.463 20.585 -13.952 1.00 35.13 H new ATOM 0 HG23 ILE A 57 2.721 20.329 -15.549 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.689 15.386 -15.529 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.321 15.929 -15.073 1.00 51.13 H new ATOM 0 HD13 ILE A 57 2.979 16.075 -13.914 1.00 51.13 H new ATOM 858 N ILE A 58 6.400 17.446 -14.016 1.00 31.21 N ATOM 859 CA ILE A 58 7.353 16.388 -13.724 1.00 43.43 C ATOM 860 C ILE A 58 6.628 15.230 -13.036 1.00 60.14 C ATOM 861 O ILE A 58 6.440 15.246 -11.820 1.00 21.20 O ATOM 862 CB ILE A 58 8.535 16.936 -12.924 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.256 18.041 -13.698 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.487 15.812 -12.511 1.00 60.01 C ATOM 865 CD1 ILE A 58 10.663 18.272 -13.143 1.00 11.43 C ATOM 0 H ILE A 58 6.018 17.915 -13.194 1.00 31.21 H new ATOM 0 HA ILE A 58 7.779 15.994 -14.647 1.00 43.43 H new ATOM 0 HB ILE A 58 8.148 17.383 -12.008 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.317 17.771 -14.752 1.00 53.42 H new ATOM 0 HG13 ILE A 58 8.682 18.965 -13.639 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.319 16.230 -11.943 1.00 60.01 H new ATOM 0 HG22 ILE A 58 8.952 15.091 -11.893 1.00 60.01 H new ATOM 0 HG23 ILE A 58 9.870 15.314 -13.402 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.153 19.062 -13.711 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.597 18.566 -12.095 1.00 11.43 H new ATOM 0 HD13 ILE A 58 11.242 17.353 -13.226 1.00 11.43 H new ATOM 877 N TRP A 59 6.239 14.253 -13.842 1.00 42.03 N ATOM 878 CA TRP A 59 5.539 13.089 -13.325 1.00 53.42 C ATOM 879 C TRP A 59 6.283 12.605 -12.079 1.00 35.14 C ATOM 880 O TRP A 59 7.510 12.658 -12.025 1.00 11.40 O ATOM 881 CB TRP A 59 5.404 12.008 -14.398 1.00 61.43 C ATOM 882 CG TRP A 59 4.703 12.482 -15.674 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.189 12.505 -16.922 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.361 13.003 -15.774 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.262 13.000 -17.816 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.115 13.314 -17.096 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.387 13.207 -14.781 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.901 13.844 -17.546 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.179 13.738 -15.247 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.916 14.055 -16.574 1.00 21.05 C ATOM 0 H TRP A 59 6.395 14.243 -14.850 1.00 42.03 H new ATOM 0 HA TRP A 59 4.518 13.347 -13.043 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.397 11.641 -14.656 1.00 61.43 H new ATOM 0 HB3 TRP A 59 4.851 11.166 -13.983 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.181 12.177 -17.194 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.394 13.115 -18.821 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.558 12.972 -13.741 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.733 14.078 -18.587 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.396 13.914 -14.524 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.044 14.462 -16.854 1.00 21.05 H new ATOM 901 N GLY A 60 5.508 12.143 -11.108 1.00 53.12 N ATOM 902 CA GLY A 60 6.078 11.650 -9.866 1.00 65.12 C ATOM 903 C GLY A 60 5.057 10.822 -9.084 1.00 54.35 C ATOM 904 O GLY A 60 4.305 10.044 -9.670 1.00 52.13 O ATOM 0 H GLY A 60 4.490 12.100 -11.157 1.00 53.12 H new ATOM 0 HA2 GLY A 60 6.956 11.042 -10.081 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.413 12.490 -9.257 1.00 65.12 H new ATOM 908 N GLU A 61 5.062 11.017 -7.774 1.00 1.21 N ATOM 909 CA GLU A 61 4.146 10.299 -6.906 1.00 74.52 C ATOM 910 C GLU A 61 2.841 11.082 -6.747 1.00 21.13 C ATOM 911 O GLU A 61 1.756 10.506 -6.804 1.00 72.12 O ATOM 912 CB GLU A 61 4.785 10.017 -5.545 1.00 44.23 C ATOM 913 CG GLU A 61 5.823 8.897 -5.648 1.00 1.31 C ATOM 914 CD GLU A 61 6.937 9.086 -4.617 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.034 8.304 -3.659 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.721 10.086 -4.837 1.00 43.33 O1- ATOM 0 H GLU A 61 5.687 11.663 -7.292 1.00 1.21 H new ATOM 0 HA GLU A 61 3.917 9.339 -7.368 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.259 10.923 -5.167 1.00 44.23 H new ATOM 0 HB3 GLU A 61 4.013 9.738 -4.828 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.339 7.933 -5.493 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.249 8.883 -6.651 1.00 1.31 H new ATOM 924 N ASP A 62 2.990 12.383 -6.551 1.00 52.34 N ATOM 925 CA ASP A 62 1.837 13.252 -6.383 1.00 22.22 C ATOM 926 C ASP A 62 1.259 13.595 -7.757 1.00 44.15 C ATOM 927 O ASP A 62 0.093 13.312 -8.033 1.00 22.13 O ATOM 928 CB ASP A 62 2.229 14.561 -5.695 1.00 1.41 C ATOM 929 CG ASP A 62 2.410 14.466 -4.178 1.00 52.20 C ATOM 930 OD1 ASP A 62 2.920 13.462 -3.658 1.00 2.01 O ATOM 931 OD2 ASP A 62 1.997 15.492 -3.514 1.00 21.24 O1- ATOM 0 H ASP A 62 3.892 12.857 -6.505 1.00 52.34 H new ATOM 0 HA ASP A 62 1.106 12.727 -5.769 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.159 14.921 -6.135 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.465 15.309 -5.908 1.00 1.41 H new ATOM 937 N THR A 63 2.099 14.201 -8.584 1.00 72.52 N ATOM 938 CA THR A 63 1.685 14.585 -9.922 1.00 21.51 C ATOM 939 C THR A 63 0.783 13.511 -10.531 1.00 21.32 C ATOM 940 O THR A 63 -0.213 13.825 -11.181 1.00 40.52 O ATOM 941 CB THR A 63 2.945 14.861 -10.745 1.00 0.41 C ATOM 942 OG1 THR A 63 3.863 13.857 -10.321 1.00 52.45 O ATOM 943 CG2 THR A 63 3.624 16.175 -10.355 1.00 31.44 C ATOM 0 H THR A 63 3.064 14.435 -8.353 1.00 72.52 H new ATOM 0 HA THR A 63 1.085 15.495 -9.905 1.00 21.51 H new ATOM 0 HB THR A 63 2.688 14.886 -11.804 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.660 14.282 -9.941 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.512 16.322 -10.969 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.933 17.003 -10.513 1.00 31.44 H new ATOM 0 HG23 THR A 63 3.912 16.138 -9.304 1.00 31.44 H new ATOM 951 N LEU A 64 1.166 12.263 -10.300 1.00 13.22 N ATOM 952 CA LEU A 64 0.405 11.139 -10.819 1.00 63.53 C ATOM 953 C LEU A 64 -0.922 11.035 -10.063 1.00 64.34 C ATOM 954 O LEU A 64 -1.986 10.977 -10.676 1.00 55.10 O ATOM 955 CB LEU A 64 1.240 9.859 -10.773 1.00 44.42 C ATOM 956 CG LEU A 64 2.139 9.600 -11.984 1.00 60.21 C ATOM 957 CD1 LEU A 64 2.767 8.208 -11.913 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.373 9.818 -13.291 1.00 52.11 C ATOM 0 H LEU A 64 1.993 12.006 -9.761 1.00 13.22 H new ATOM 0 HA LEU A 64 0.163 11.296 -11.870 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.866 9.889 -9.881 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.564 9.012 -10.660 1.00 44.42 H new ATOM 0 HG LEU A 64 2.955 10.322 -11.965 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.401 8.050 -12.786 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.369 8.126 -11.008 1.00 64.04 H new ATOM 0 HD13 LEU A 64 1.980 7.454 -11.895 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.034 9.628 -14.136 1.00 52.11 H new ATOM 0 HD22 LEU A 64 0.524 9.136 -13.333 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.014 10.846 -13.335 1.00 52.11 H new ATOM 970 N MET A 65 -0.814 11.015 -8.742 1.00 33.24 N ATOM 971 CA MET A 65 -1.991 10.920 -7.896 1.00 54.13 C ATOM 972 C MET A 65 -2.974 12.054 -8.194 1.00 25.33 C ATOM 973 O MET A 65 -4.143 11.981 -7.820 1.00 22.02 O ATOM 974 CB MET A 65 -1.570 10.981 -6.426 1.00 42.51 C ATOM 975 CG MET A 65 -2.676 10.442 -5.517 1.00 50.02 C ATOM 976 SD MET A 65 -2.040 10.189 -3.868 1.00 13.13 S ATOM 977 CE MET A 65 -1.665 8.446 -3.943 1.00 15.21 C ATOM 0 H MET A 65 0.071 11.063 -8.237 1.00 33.24 H new ATOM 0 HA MET A 65 -2.487 9.972 -8.102 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.659 10.400 -6.280 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.339 12.010 -6.152 1.00 42.51 H new ATOM 0 HG2 MET A 65 -3.510 11.143 -5.491 1.00 50.02 H new ATOM 0 HG3 MET A 65 -3.061 9.503 -5.916 1.00 50.02 H new ATOM 0 HE1 MET A 65 -1.547 8.055 -2.932 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.479 7.920 -4.442 1.00 15.21 H new ATOM 0 HE3 MET A 65 -0.740 8.296 -4.500 1.00 15.21 H new ATOM 987 N GLU A 66 -2.463 13.076 -8.864 1.00 74.14 N ATOM 988 CA GLU A 66 -3.281 14.224 -9.216 1.00 73.33 C ATOM 989 C GLU A 66 -3.707 14.142 -10.684 1.00 2.43 C ATOM 990 O GLU A 66 -4.634 14.832 -11.105 1.00 72.31 O ATOM 991 CB GLU A 66 -2.542 15.533 -8.932 1.00 53.20 C ATOM 992 CG GLU A 66 -3.519 16.639 -8.531 1.00 12.14 C ATOM 993 CD GLU A 66 -2.794 17.774 -7.805 1.00 45.11 C ATOM 994 OE1 GLU A 66 -3.066 18.027 -6.622 1.00 41.11 O ATOM 995 OE2 GLU A 66 -1.919 18.403 -8.513 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.492 13.133 -9.173 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.177 14.210 -8.596 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.815 15.379 -8.135 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.984 15.839 -9.817 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -4.016 17.029 -9.419 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.295 16.227 -7.886 1.00 12.14 H new ATOM 1003 N TYR A 67 -3.009 13.293 -11.423 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.302 13.113 -12.835 1.00 3.25 C ATOM 1005 C TYR A 67 -4.244 11.927 -13.051 1.00 54.14 C ATOM 1006 O TYR A 67 -5.341 12.090 -13.585 1.00 20.25 O ATOM 1007 CB TYR A 67 -1.961 12.814 -13.510 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.091 12.242 -14.922 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.495 13.054 -15.962 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -1.801 10.913 -15.158 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -2.616 12.516 -17.292 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -1.922 10.374 -16.487 1.00 44.34 C ATOM 1013 CZ TYR A 67 -2.325 11.202 -17.490 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.439 10.693 -18.745 1.00 60.35 O ATOM 0 H TYR A 67 -2.241 12.722 -11.071 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.786 14.000 -13.243 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.375 13.732 -13.553 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.404 12.109 -12.893 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -2.721 14.094 -15.778 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -1.483 10.277 -14.345 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -2.931 13.142 -18.114 1.00 20.05 H new ATOM 0 HE2 TYR A 67 -1.698 9.336 -16.684 1.00 44.34 H new ATOM 0 HH TYR A 67 -3.040 9.919 -18.731 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.782 10.760 -12.627 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.571 9.547 -12.768 1.00 1.14 C ATOM 1026 C LEU A 68 -5.986 9.801 -12.247 1.00 70.03 C ATOM 1027 O LEU A 68 -6.952 9.245 -12.768 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.867 8.370 -12.090 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.431 8.097 -12.540 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -1.816 6.943 -11.745 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -2.366 7.852 -14.049 1.00 54.34 C ATOM 0 H LEU A 68 -2.872 10.628 -12.186 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.663 9.271 -13.819 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.862 8.546 -11.014 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.458 7.471 -12.263 1.00 71.15 H new ATOM 0 HG LEU A 68 -1.834 8.985 -12.332 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -0.795 6.770 -12.085 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.807 7.196 -10.685 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.407 6.040 -11.898 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.334 7.661 -14.342 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -2.982 6.990 -14.304 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -2.736 8.731 -14.577 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.065 10.642 -11.226 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.346 10.975 -10.628 1.00 44.21 C ATOM 1045 C GLU A 69 -8.296 11.537 -11.688 1.00 21.20 C ATOM 1046 O GLU A 69 -9.465 11.157 -11.743 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.172 11.960 -9.471 1.00 23.33 C ATOM 1048 CG GLU A 69 -7.152 13.404 -9.978 1.00 33.31 C ATOM 1049 CD GLU A 69 -6.937 14.387 -8.826 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -6.301 15.434 -9.014 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -7.460 14.031 -7.701 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.262 11.103 -10.798 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.783 10.063 -10.222 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -7.985 11.833 -8.756 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.244 11.744 -8.941 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -6.358 13.523 -10.715 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -8.092 13.629 -10.482 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.758 12.432 -12.503 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.543 13.050 -13.559 1.00 10.35 C ATOM 1061 C ASN A 70 -7.629 13.380 -14.740 1.00 50.13 C ATOM 1062 O ASN A 70 -7.217 14.527 -14.910 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.183 14.354 -13.077 1.00 54.31 C ATOM 1064 CG ASN A 70 -8.129 15.307 -12.511 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -6.946 15.009 -12.466 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -8.620 16.466 -12.084 1.00 64.01 N ATOM 0 H ASN A 70 -6.788 12.744 -12.454 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.326 12.351 -13.852 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.705 14.834 -13.904 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.929 14.136 -12.313 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -7.996 17.170 -11.690 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -9.621 16.652 -12.151 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.332 12.328 -15.550 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.475 12.495 -16.711 1.00 62.33 C ATOM 1075 C PRO A 71 -7.221 13.201 -17.845 1.00 21.13 C ATOM 1076 O PRO A 71 -6.617 13.581 -18.847 1.00 13.34 O ATOM 1077 CB PRO A 71 -6.030 11.089 -17.077 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.017 10.150 -16.401 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.803 10.956 -15.380 1.00 43.43 C ATOM 0 HA PRO A 71 -5.613 13.131 -16.510 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -6.033 10.947 -18.158 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -5.013 10.899 -16.734 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.688 9.708 -17.137 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.491 9.328 -15.915 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.876 10.881 -15.557 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.621 10.597 -14.367 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.521 13.356 -17.649 1.00 52.22 N ATOM 1088 CA LYS A 72 -9.356 14.009 -18.644 1.00 43.01 C ATOM 1089 C LYS A 72 -9.328 15.521 -18.411 1.00 54.30 C ATOM 1090 O LYS A 72 -9.646 16.298 -19.312 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.764 13.413 -18.638 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.491 13.733 -17.330 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.511 12.644 -16.988 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.705 12.693 -17.942 1.00 74.53 C ATOM 1095 NZ LYS A 72 -14.775 11.780 -17.481 1.00 65.43 N1+ ATOM 0 H LYS A 72 -9.018 13.041 -16.816 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.965 13.831 -19.646 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -11.333 13.807 -19.480 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.706 12.333 -18.771 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -10.767 13.825 -16.521 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.996 14.695 -17.417 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -12.036 11.665 -17.045 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.855 12.772 -15.962 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -14.089 13.711 -18.002 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -13.387 12.413 -18.946 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -15.578 11.826 -18.140 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -14.410 10.807 -17.447 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -15.090 12.065 -16.532 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.945 15.895 -17.200 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.872 17.300 -16.837 1.00 14.10 C ATOM 1110 C LYS A 73 -7.408 17.745 -16.829 1.00 65.14 C ATOM 1111 O LYS A 73 -7.069 18.787 -17.387 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.599 17.552 -15.515 1.00 44.31 C ATOM 1113 CG LYS A 73 -11.108 17.351 -15.672 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.780 18.626 -16.186 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.260 18.660 -15.800 1.00 32.30 C ATOM 1116 NZ LYS A 73 -14.050 17.785 -16.696 1.00 11.51 N1+ ATOM 0 H LYS A 73 -8.681 15.249 -16.456 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.387 17.911 -17.578 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.216 16.876 -14.751 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.397 18.567 -15.173 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.299 16.531 -16.364 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.543 17.068 -14.713 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.273 19.499 -15.775 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.682 18.681 -17.270 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.380 18.335 -14.766 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.634 19.682 -15.858 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -15.052 17.820 -16.420 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.950 18.112 -17.678 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -13.704 16.807 -16.620 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.580 16.932 -16.187 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.161 17.228 -16.098 1.00 13.35 C ATOM 1131 C TYR A 74 -4.565 17.478 -17.485 1.00 21.32 C ATOM 1132 O TYR A 74 -3.877 18.476 -17.698 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.508 15.985 -15.493 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.250 16.279 -14.672 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -2.013 16.289 -15.286 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -3.351 16.535 -13.320 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -0.829 16.566 -14.514 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -2.168 16.812 -12.549 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.965 16.813 -13.184 1.00 54.11 C ATOM 1140 OH TYR A 74 0.153 17.075 -12.455 1.00 35.30 O ATOM 0 H TYR A 74 -6.866 16.069 -15.724 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.993 18.123 -15.498 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.234 15.479 -14.857 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.252 15.294 -16.296 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -1.933 16.089 -16.344 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -4.318 16.527 -12.840 1.00 53.12 H new ATOM 0 HE1 TYR A 74 0.145 16.577 -14.981 1.00 2.04 H new ATOM 0 HE2 TYR A 74 -2.234 17.015 -11.490 1.00 44.42 H new ATOM 0 HH TYR A 74 -0.096 17.234 -11.520 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.850 16.556 -18.392 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.351 16.663 -19.752 1.00 45.04 C ATOM 1152 C ILE A 75 -5.529 16.640 -20.727 1.00 31.42 C ATOM 1153 O ILE A 75 -5.900 15.582 -21.234 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.305 15.581 -20.026 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.165 15.649 -19.008 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.792 15.665 -21.466 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -0.927 14.910 -19.519 1.00 44.21 C ATOM 0 H ILE A 75 -5.421 15.730 -18.211 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.837 17.614 -19.895 1.00 45.04 H new ATOM 0 HB ILE A 75 -3.783 14.608 -19.910 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -1.914 16.691 -18.807 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -2.490 15.212 -18.064 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.050 14.885 -21.634 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.624 15.529 -22.157 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.337 16.641 -21.634 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.132 14.974 -18.776 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -1.175 13.863 -19.695 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -0.590 15.365 -20.450 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.101 17.851 -20.966 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.231 17.979 -21.871 1.00 71.30 C ATOM 1171 C PRO A 76 -6.781 17.865 -23.329 1.00 33.42 C ATOM 1172 O PRO A 76 -6.087 18.743 -23.840 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.846 19.330 -21.544 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.773 20.107 -20.798 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.690 19.125 -20.383 1.00 71.25 C ATOM 0 HA PRO A 76 -7.963 17.182 -21.745 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -8.146 19.853 -22.452 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.741 19.214 -20.932 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -6.356 20.889 -21.433 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -7.197 20.600 -19.923 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.713 19.433 -20.754 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.612 19.057 -19.298 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.195 16.775 -23.959 1.00 72.13 N ATOM 1184 CA GLY A 77 -6.843 16.535 -25.348 1.00 33.14 C ATOM 1185 C GLY A 77 -6.272 15.128 -25.534 1.00 34.12 C ATOM 1186 O GLY A 77 -6.520 14.481 -26.550 1.00 30.24 O ATOM 0 H GLY A 77 -7.771 16.049 -23.533 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.724 16.660 -25.977 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.111 17.274 -25.674 1.00 33.14 H new ATOM 1190 N THR A 78 -5.517 14.693 -24.535 1.00 72.54 N ATOM 1191 CA THR A 78 -4.908 13.375 -24.575 1.00 22.21 C ATOM 1192 C THR A 78 -5.926 12.332 -25.042 1.00 2.52 C ATOM 1193 O THR A 78 -7.120 12.617 -25.123 1.00 4.33 O ATOM 1194 CB THR A 78 -4.327 13.080 -23.191 1.00 14.31 C ATOM 1195 OG1 THR A 78 -3.970 11.702 -23.250 1.00 2.22 O ATOM 1196 CG2 THR A 78 -5.384 13.144 -22.087 1.00 64.23 C ATOM 0 H THR A 78 -5.314 15.231 -23.693 1.00 72.54 H new ATOM 0 HA THR A 78 -4.094 13.337 -25.299 1.00 22.21 H new ATOM 0 HB THR A 78 -3.530 13.791 -22.973 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.583 11.427 -22.393 1.00 2.22 H new ATOM 0 HG21 THR A 78 -4.919 12.927 -21.125 1.00 64.23 H new ATOM 0 HG22 THR A 78 -5.823 14.141 -22.061 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.164 12.409 -22.287 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.417 11.145 -25.334 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.265 10.057 -25.790 1.00 42.52 C ATOM 1206 C LYS A 79 -6.458 9.053 -24.651 1.00 41.14 C ATOM 1207 O LYS A 79 -7.372 8.231 -24.690 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.701 9.436 -27.069 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.172 9.389 -27.027 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.618 8.529 -28.164 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.245 9.030 -28.613 1.00 74.45 C ATOM 1212 NZ LYS A 79 -1.421 7.908 -29.115 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.426 10.912 -25.264 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.254 10.432 -26.055 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.096 8.428 -27.193 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -6.027 10.015 -27.933 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -3.771 10.400 -27.103 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -3.843 8.987 -26.069 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.541 7.492 -27.836 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.309 8.546 -29.007 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -2.363 9.780 -29.395 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.738 9.516 -27.779 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -0.492 8.267 -29.416 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -1.293 7.206 -28.359 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -1.898 7.462 -29.924 1.00 73.00 H new ATOM 1225 N MET A 80 -5.579 9.153 -23.663 1.00 72.20 N ATOM 1226 CA MET A 80 -5.641 8.265 -22.516 1.00 50.41 C ATOM 1227 C MET A 80 -6.980 8.400 -21.788 1.00 72.11 C ATOM 1228 O MET A 80 -7.089 9.147 -20.816 1.00 14.12 O ATOM 1229 CB MET A 80 -4.500 8.596 -21.552 1.00 3.55 C ATOM 1230 CG MET A 80 -4.617 7.781 -20.262 1.00 30.15 C ATOM 1231 SD MET A 80 -3.161 8.015 -19.258 1.00 1.13 S ATOM 1232 CE MET A 80 -3.860 7.769 -17.634 1.00 62.42 C ATOM 0 H MET A 80 -4.821 9.835 -23.634 1.00 72.20 H new ATOM 0 HA MET A 80 -5.544 7.239 -22.870 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.543 8.389 -22.031 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.515 9.660 -21.317 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.504 8.088 -19.708 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.739 6.724 -20.500 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.057 7.651 -16.906 1.00 62.42 H new ATOM 0 HE2 MET A 80 -4.469 8.632 -17.365 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.482 6.874 -17.637 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.964 7.667 -22.286 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.291 7.696 -21.694 1.00 23.44 C ATOM 1244 C ILE A 81 -9.308 6.815 -20.443 1.00 45.24 C ATOM 1245 O ILE A 81 -9.373 5.591 -20.542 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.349 7.310 -22.731 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.492 8.398 -23.799 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.684 6.988 -22.059 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -11.206 9.627 -23.235 1.00 54.13 C ATOM 0 H ILE A 81 -7.870 7.050 -23.092 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.543 8.708 -21.375 1.00 23.44 H new ATOM 0 HB ILE A 81 -10.017 6.403 -23.237 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.507 8.683 -24.168 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -11.050 8.007 -24.650 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.418 6.717 -22.818 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.552 6.155 -21.368 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.035 7.862 -21.511 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -11.295 10.385 -24.013 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -12.200 9.343 -22.889 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -10.633 10.030 -22.400 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.246 7.473 -19.294 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.252 6.765 -18.026 1.00 45.32 C ATOM 1263 C PHE A 82 -10.127 7.487 -16.999 1.00 15.33 C ATOM 1264 O PHE A 82 -9.797 8.588 -16.562 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.808 6.741 -17.520 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.526 5.641 -16.493 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -8.051 5.730 -15.241 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -6.753 4.576 -16.833 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -7.790 4.710 -14.289 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.491 3.556 -15.880 1.00 71.25 C ATOM 1271 CZ PHE A 82 -7.016 3.644 -14.629 1.00 22.42 C ATOM 0 H PHE A 82 -9.191 8.489 -19.215 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.652 5.760 -18.163 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.138 6.611 -18.370 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.574 7.708 -17.075 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.666 6.576 -14.972 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.338 4.505 -17.828 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -8.206 4.780 -13.295 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -5.875 2.711 -16.149 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.819 2.867 -13.905 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.226 6.838 -16.645 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.152 7.405 -15.678 1.00 44.03 C ATOM 1283 C VAL A 83 -11.360 8.043 -14.535 1.00 4.21 C ATOM 1284 O VAL A 83 -11.442 9.251 -14.319 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.132 6.330 -15.200 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -13.704 6.684 -13.826 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -14.250 6.116 -16.222 1.00 35.41 C ATOM 0 H VAL A 83 -11.497 5.925 -17.010 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.751 8.191 -16.137 1.00 44.03 H new ATOM 0 HB VAL A 83 -12.583 5.393 -15.103 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -14.397 5.905 -13.509 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -12.892 6.763 -13.103 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -14.231 7.636 -13.886 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -14.933 5.348 -15.859 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -14.796 7.049 -16.365 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -13.819 5.799 -17.172 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.613 7.203 -13.834 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.807 7.671 -12.719 1.00 52.24 C ATOM 1299 C GLY A 84 -10.035 6.806 -11.478 1.00 70.24 C ATOM 1300 O GLY A 84 -11.001 6.047 -11.414 1.00 15.11 O ATOM 0 H GLY A 84 -10.549 6.201 -14.016 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.752 7.649 -12.993 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -10.057 8.708 -12.495 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.129 6.948 -10.522 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.218 6.189 -9.287 1.00 44.34 C ATOM 1306 C ILE A 85 -9.457 7.148 -8.120 1.00 34.42 C ATOM 1307 O ILE A 85 -8.612 7.991 -7.820 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.983 5.303 -9.112 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.798 4.375 -10.314 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -8.045 4.529 -7.793 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.320 4.041 -10.527 1.00 62.43 C ATOM 0 H ILE A 85 -8.329 7.578 -10.578 1.00 33.41 H new ATOM 0 HA ILE A 85 -10.068 5.508 -9.319 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.105 5.947 -9.066 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.363 3.456 -10.159 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -8.200 4.849 -11.209 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.155 3.907 -7.694 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.091 5.231 -6.961 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.933 3.896 -7.784 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -6.217 3.380 -11.388 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.761 4.960 -10.706 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.927 3.545 -9.639 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.612 6.989 -7.492 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.974 7.832 -6.364 1.00 4.54 C ATOM 1325 C LYS A 86 -10.277 7.314 -5.104 1.00 23.40 C ATOM 1326 O LYS A 86 -9.722 8.095 -4.331 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.494 7.926 -6.230 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.891 8.559 -4.896 1.00 2.32 C ATOM 1329 CD LYS A 86 -13.036 7.495 -3.805 1.00 43.02 C ATOM 1330 CE LYS A 86 -12.739 8.081 -2.423 1.00 63.30 C ATOM 1331 NZ LYS A 86 -13.368 9.413 -2.279 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.310 6.289 -7.742 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.629 8.853 -6.525 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.899 8.517 -7.051 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.931 6.931 -6.308 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -12.139 9.290 -4.598 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -13.832 9.098 -5.011 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -14.047 7.088 -3.821 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -12.356 6.667 -4.007 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -13.112 7.410 -1.649 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -11.662 8.164 -2.280 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -13.518 9.619 -1.271 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -12.746 10.137 -2.692 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -14.283 9.420 -2.773 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.329 6.001 -4.934 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.710 5.371 -3.780 1.00 74.32 C ATOM 1346 C LYS A 87 -8.200 5.615 -3.820 1.00 52.11 C ATOM 1347 O LYS A 87 -7.472 4.911 -4.520 1.00 61.33 O ATOM 1348 CB LYS A 87 -10.092 3.892 -3.709 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.611 3.721 -3.640 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.019 2.291 -4.004 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.535 2.109 -3.897 1.00 64.11 C ATOM 1352 NZ LYS A 87 -13.982 0.977 -4.738 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.790 5.356 -5.576 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.081 5.817 -2.857 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.703 3.370 -4.583 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.631 3.435 -2.833 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -11.962 3.959 -2.636 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -12.091 4.424 -4.320 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -11.693 2.063 -5.019 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.517 1.586 -3.342 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -13.813 1.930 -2.858 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -14.040 3.023 -4.209 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -15.013 0.868 -4.654 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -13.734 1.163 -5.731 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -13.514 0.104 -4.422 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.773 6.614 -3.062 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.363 6.958 -3.002 1.00 50.44 C ATOM 1367 C LYS A 88 -5.559 5.728 -2.577 1.00 62.35 C ATOM 1368 O LYS A 88 -4.515 5.433 -3.157 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.147 8.176 -2.101 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.657 8.496 -1.960 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.045 7.753 -0.771 1.00 21.14 C ATOM 1372 CE LYS A 88 -4.183 8.570 0.516 1.00 11.43 C ATOM 1373 NZ LYS A 88 -3.699 9.952 0.306 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.379 7.196 -2.484 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.000 7.251 -3.987 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.670 9.037 -2.516 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.577 7.986 -1.117 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -4.134 8.218 -2.875 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.523 9.570 -1.830 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -4.537 6.788 -0.648 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -2.992 7.551 -0.967 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -5.226 8.588 0.833 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -3.615 8.097 1.317 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -3.259 10.302 1.181 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -2.998 9.961 -0.462 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -4.499 10.565 0.052 1.00 32.04 H new ATOM 1386 N GLU A 89 -6.075 5.043 -1.567 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.418 3.851 -1.057 1.00 53.30 C ATOM 1388 C GLU A 89 -5.021 2.929 -2.212 1.00 33.12 C ATOM 1389 O GLU A 89 -4.043 2.189 -2.111 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.312 3.119 -0.055 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.559 3.976 1.189 1.00 22.23 C ATOM 1392 CD GLU A 89 -5.240 4.478 1.779 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -4.202 3.817 1.628 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -5.317 5.598 2.413 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.941 5.291 -1.088 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.512 4.155 -0.532 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -7.264 2.871 -0.525 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.845 2.178 0.235 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -7.192 4.825 0.931 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -7.097 3.393 1.936 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.797 3.005 -3.282 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.539 2.186 -4.454 1.00 0.45 C ATOM 1404 C GLU A 90 -4.495 2.857 -5.349 1.00 42.01 C ATOM 1405 O GLU A 90 -3.647 2.183 -5.933 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.829 1.913 -5.229 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.658 0.822 -4.546 1.00 43.23 C ATOM 1408 CD GLU A 90 -7.642 0.993 -3.026 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -8.605 1.525 -2.452 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -6.583 0.550 -2.437 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.606 3.622 -3.362 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.144 1.226 -4.122 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.415 2.829 -5.301 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.588 1.608 -6.247 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -8.685 0.860 -4.909 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -7.263 -0.159 -4.809 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.590 4.176 -5.429 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.664 4.945 -6.243 1.00 55.13 C ATOM 1420 C ARG A 91 -2.295 5.020 -5.563 1.00 34.33 C ATOM 1421 O ARG A 91 -1.342 5.547 -6.136 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.187 6.363 -6.481 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.367 6.358 -7.454 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.513 7.713 -8.147 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.201 8.804 -7.197 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.965 9.120 -6.131 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.096 8.431 -5.869 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.591 10.115 -5.347 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.294 4.732 -4.943 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.568 4.440 -7.204 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -4.495 6.804 -5.533 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -3.387 6.987 -6.878 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.223 5.577 -8.201 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -6.285 6.120 -6.917 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.844 7.765 -9.006 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.528 7.829 -8.526 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.355 9.351 -7.358 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.379 7.664 -6.479 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.667 8.677 -5.061 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -4.736 10.632 -5.552 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -6.157 10.367 -4.537 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.242 4.486 -4.352 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.006 4.486 -3.589 1.00 4.24 C ATOM 1443 C ALA A 92 -0.217 3.213 -3.901 1.00 44.10 C ATOM 1444 O ALA A 92 0.999 3.173 -3.726 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.327 4.622 -2.099 1.00 24.15 C ATOM 0 H ALA A 92 -3.035 4.051 -3.881 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.383 5.336 -3.868 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.400 4.622 -1.526 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.861 5.556 -1.926 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -1.949 3.785 -1.783 1.00 24.15 H new ATOM 1451 N ASP A 93 -0.945 2.203 -4.358 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.328 0.931 -4.697 1.00 41.32 C ATOM 1453 C ASP A 93 -0.173 0.833 -6.215 1.00 30.23 C ATOM 1454 O ASP A 93 0.806 0.277 -6.708 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.195 -0.241 -4.233 1.00 51.12 C ATOM 1456 CG ASP A 93 -2.001 0.015 -2.959 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -3.167 -0.392 -2.848 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -1.377 0.673 -2.041 1.00 61.21 O1- ATOM 0 H ASP A 93 -1.954 2.240 -4.501 1.00 13.32 H new ATOM 0 HA ASP A 93 0.641 0.882 -4.200 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -1.885 -0.502 -5.035 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -0.553 -1.106 -4.071 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.156 1.382 -6.915 1.00 1.20 N ATOM 1465 CA LEU A 94 -1.141 1.364 -8.368 1.00 74.05 C ATOM 1466 C LEU A 94 0.108 2.089 -8.871 1.00 42.32 C ATOM 1467 O LEU A 94 0.550 1.866 -9.997 1.00 60.31 O ATOM 1468 CB LEU A 94 -2.448 1.931 -8.925 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.723 1.656 -10.404 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -2.169 2.778 -11.284 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -2.184 0.284 -10.815 1.00 30.44 C ATOM 0 H LEU A 94 -1.968 1.842 -6.503 1.00 1.20 H new ATOM 0 HA LEU A 94 -1.084 0.339 -8.735 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -3.274 1.526 -8.341 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.447 3.010 -8.771 1.00 54.11 H new ATOM 0 HG LEU A 94 -3.803 1.636 -10.553 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -2.378 2.557 -12.331 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -2.642 3.722 -11.011 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -1.092 2.856 -11.138 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -2.392 0.113 -11.871 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -1.107 0.251 -10.647 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -2.668 -0.490 -10.220 1.00 30.44 H new ATOM 1483 N ILE A 95 0.643 2.945 -8.011 1.00 14.42 N ATOM 1484 CA ILE A 95 1.832 3.705 -8.354 1.00 64.13 C ATOM 1485 C ILE A 95 3.055 3.046 -7.713 1.00 4.02 C ATOM 1486 O ILE A 95 4.079 2.859 -8.369 1.00 25.25 O ATOM 1487 CB ILE A 95 1.656 5.176 -7.973 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.354 5.739 -8.547 1.00 4.41 C ATOM 1489 CG2 ILE A 95 2.872 6.002 -8.395 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.093 7.154 -8.027 1.00 42.01 C ATOM 0 H ILE A 95 0.274 3.128 -7.078 1.00 14.42 H new ATOM 0 HA ILE A 95 1.992 3.696 -9.432 1.00 64.13 H new ATOM 0 HB ILE A 95 1.584 5.241 -6.887 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.408 5.752 -9.636 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.478 5.089 -8.277 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.720 7.044 -8.112 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.763 5.617 -7.899 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.001 5.934 -9.475 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.838 7.531 -8.450 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.016 7.134 -6.940 1.00 42.01 H new ATOM 0 HD13 ILE A 95 0.915 7.807 -8.320 1.00 42.01 H new ATOM 1502 N ALA A 96 2.909 2.713 -6.439 1.00 33.14 N ATOM 1503 CA ALA A 96 3.989 2.079 -5.702 1.00 12.15 C ATOM 1504 C ALA A 96 4.513 0.883 -6.501 1.00 53.11 C ATOM 1505 O ALA A 96 5.707 0.590 -6.476 1.00 25.00 O ATOM 1506 CB ALA A 96 3.493 1.679 -4.312 1.00 44.52 C ATOM 0 H ALA A 96 2.059 2.870 -5.898 1.00 33.14 H new ATOM 0 HA ALA A 96 4.818 2.773 -5.565 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.303 1.203 -3.759 1.00 44.52 H new ATOM 0 HB2 ALA A 96 3.160 2.567 -3.775 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.662 0.981 -4.409 1.00 44.52 H new ATOM 1512 N TYR A 97 3.593 0.225 -7.191 1.00 1.44 N ATOM 1513 CA TYR A 97 3.946 -0.932 -7.996 1.00 62.31 C ATOM 1514 C TYR A 97 4.891 -0.541 -9.133 1.00 21.40 C ATOM 1515 O TYR A 97 5.813 -1.285 -9.463 1.00 22.13 O ATOM 1516 CB TYR A 97 2.635 -1.447 -8.592 1.00 54.22 C ATOM 1517 CG TYR A 97 2.812 -2.250 -9.882 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.467 -3.465 -9.855 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.316 -1.761 -11.074 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.634 -4.221 -11.069 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.483 -2.517 -12.288 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.133 -3.710 -12.226 1.00 14.22 C ATOM 1523 OH TYR A 97 3.290 -4.424 -13.372 1.00 3.20 O ATOM 0 H TYR A 97 2.603 0.471 -7.209 1.00 1.44 H new ATOM 0 HA TYR A 97 4.452 -1.682 -7.388 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.132 -2.071 -7.853 1.00 54.22 H new ATOM 0 HB3 TYR A 97 1.980 -0.599 -8.791 1.00 54.22 H new ATOM 0 HD1 TYR A 97 3.854 -3.849 -8.923 1.00 70.44 H new ATOM 0 HD2 TYR A 97 1.803 -0.811 -11.096 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.145 -5.172 -11.061 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.101 -2.145 -13.227 1.00 72.22 H new ATOM 0 HH TYR A 97 2.882 -3.938 -14.119 1.00 3.20 H new ATOM 1533 N LEU A 98 4.631 0.627 -9.702 1.00 55.30 N ATOM 1534 CA LEU A 98 5.447 1.126 -10.795 1.00 10.43 C ATOM 1535 C LEU A 98 6.850 1.444 -10.275 1.00 50.54 C ATOM 1536 O LEU A 98 7.841 1.196 -10.961 1.00 71.33 O ATOM 1537 CB LEU A 98 4.762 2.312 -11.477 1.00 25.13 C ATOM 1538 CG LEU A 98 3.436 2.008 -12.178 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.688 3.297 -12.521 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.655 1.128 -13.410 1.00 11.03 C ATOM 0 H LEU A 98 3.866 1.242 -9.426 1.00 55.30 H new ATOM 0 HA LEU A 98 5.557 0.364 -11.566 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.586 3.084 -10.728 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.451 2.731 -12.211 1.00 25.13 H new ATOM 0 HG LEU A 98 2.808 1.445 -11.488 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.750 3.052 -13.018 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.480 3.851 -11.606 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.301 3.908 -13.184 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.697 0.927 -13.889 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.311 1.642 -14.112 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.114 0.187 -13.108 1.00 11.03 H new ATOM 1552 N LYS A 99 6.890 1.986 -9.067 1.00 73.11 N ATOM 1553 CA LYS A 99 8.155 2.340 -8.446 1.00 1.31 C ATOM 1554 C LYS A 99 9.095 1.133 -8.489 1.00 71.25 C ATOM 1555 O LYS A 99 10.311 1.286 -8.408 1.00 53.02 O ATOM 1556 CB LYS A 99 7.927 2.892 -7.038 1.00 31.34 C ATOM 1557 CG LYS A 99 7.748 4.412 -7.067 1.00 15.41 C ATOM 1558 CD LYS A 99 6.530 4.805 -7.907 1.00 1.10 C ATOM 1559 CE LYS A 99 6.174 6.278 -7.700 1.00 13.50 C ATOM 1560 NZ LYS A 99 7.401 7.106 -7.648 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.066 2.189 -8.501 1.00 73.11 H new ATOM 0 HA LYS A 99 8.640 3.143 -9.002 1.00 1.31 H new ATOM 0 HB2 LYS A 99 7.044 2.427 -6.600 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.773 2.634 -6.401 1.00 31.34 H new ATOM 0 HG2 LYS A 99 7.630 4.787 -6.051 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.643 4.879 -7.477 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.736 4.622 -8.961 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.679 4.180 -7.635 1.00 1.10 H new ATOM 0 HE2 LYS A 99 5.531 6.620 -8.511 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.610 6.395 -6.775 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 7.185 8.068 -7.978 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 7.752 7.146 -6.670 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 8.130 6.686 -8.260 1.00 12.44 H new ATOM 1573 N LYS A 100 8.492 -0.040 -8.617 1.00 63.15 N ATOM 1574 CA LYS A 100 9.259 -1.273 -8.671 1.00 72.41 C ATOM 1575 C LYS A 100 9.372 -1.736 -10.125 1.00 64.54 C ATOM 1576 O LYS A 100 10.473 -1.849 -10.660 1.00 30.00 O ATOM 1577 CB LYS A 100 8.652 -2.323 -7.737 1.00 4.54 C ATOM 1578 CG LYS A 100 9.740 -3.216 -7.136 1.00 42.24 C ATOM 1579 CD LYS A 100 10.565 -3.890 -8.234 1.00 15.32 C ATOM 1580 CE LYS A 100 10.942 -5.319 -7.838 1.00 64.41 C ATOM 1581 NZ LYS A 100 11.226 -6.132 -9.042 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.482 -0.163 -8.685 1.00 63.15 H new ATOM 0 HA LYS A 100 10.274 -1.106 -8.310 1.00 72.41 H new ATOM 0 HB2 LYS A 100 8.100 -1.828 -6.938 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.937 -2.935 -8.287 1.00 4.54 H new ATOM 0 HG2 LYS A 100 10.394 -2.620 -6.499 1.00 42.24 H new ATOM 0 HG3 LYS A 100 9.283 -3.975 -6.502 1.00 42.24 H new ATOM 0 HD2 LYS A 100 9.996 -3.905 -9.164 1.00 15.32 H new ATOM 0 HD3 LYS A 100 11.469 -3.311 -8.422 1.00 15.32 H new ATOM 0 HE2 LYS A 100 11.816 -5.304 -7.187 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.130 -5.772 -7.269 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 11.480 -7.099 -8.756 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 10.382 -6.161 -9.648 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 12.016 -5.708 -9.569 1.00 13.11 H new ATOM 1594 N ALA A 101 8.217 -1.989 -10.723 1.00 71.41 N ATOM 1595 CA ALA A 101 8.172 -2.436 -12.105 1.00 62.32 C ATOM 1596 C ALA A 101 9.188 -1.640 -12.927 1.00 15.30 C ATOM 1597 O ALA A 101 10.050 -2.220 -13.586 1.00 73.54 O ATOM 1598 CB ALA A 101 6.748 -2.291 -12.642 1.00 63.13 C ATOM 0 H ALA A 101 7.305 -1.893 -10.276 1.00 71.41 H new ATOM 0 HA ALA A 101 8.442 -3.490 -12.176 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.714 -2.626 -13.679 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.069 -2.897 -12.042 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.444 -1.246 -12.589 1.00 63.13 H new ATOM 1604 N THR A 102 9.055 -0.324 -12.861 1.00 2.02 N ATOM 1605 CA THR A 102 9.952 0.557 -13.590 1.00 71.34 C ATOM 1606 C THR A 102 11.208 0.842 -12.765 1.00 12.43 C ATOM 1607 O THR A 102 11.640 1.989 -12.661 1.00 41.24 O ATOM 1608 CB THR A 102 9.173 1.819 -13.966 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.081 2.560 -14.775 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.917 2.730 -12.763 1.00 62.44 C ATOM 0 H THR A 102 8.339 0.154 -12.314 1.00 2.02 H new ATOM 0 HA THR A 102 10.305 0.089 -14.509 1.00 71.34 H new ATOM 0 HB THR A 102 8.221 1.537 -14.416 1.00 15.35 H new ATOM 0 HG1 THR A 102 10.876 2.788 -14.250 1.00 54.52 H new ATOM 0 HG21 THR A 102 8.361 3.611 -13.085 1.00 62.44 H new ATOM 0 HG22 THR A 102 8.338 2.190 -12.014 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.869 3.040 -12.332 1.00 62.44 H new ATOM 1618 N ASN A 103 11.759 -0.222 -12.199 1.00 4.21 N ATOM 1619 CA ASN A 103 12.958 -0.100 -11.386 1.00 22.31 C ATOM 1620 C ASN A 103 13.949 -1.197 -11.780 1.00 72.30 C ATOM 1621 O ASN A 103 15.132 -0.925 -11.984 1.00 23.40 O ATOM 1622 CB ASN A 103 12.634 -0.267 -9.900 1.00 0.14 C ATOM 1623 CG ASN A 103 13.589 0.558 -9.035 1.00 54.24 C ATOM 1624 OD1 ASN A 103 14.035 1.631 -9.408 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.876 0.001 -7.863 1.00 60.01 N ATOM 0 H ASN A 103 11.398 -1.172 -12.287 1.00 4.21 H new ATOM 0 HA ASN A 103 13.381 0.890 -11.554 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.606 0.043 -9.711 1.00 0.14 H new ATOM 0 HB3 ASN A 103 12.705 -1.319 -9.625 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.504 0.474 -7.214 1.00 60.01 H new ATOM 0 HD22 ASN A 103 13.468 -0.900 -7.613 1.00 60.01 H new ATOM 1632 N GLU A 104 13.430 -2.412 -11.877 1.00 33.11 N ATOM 1633 CA GLU A 104 14.256 -3.550 -12.243 1.00 43.24 C ATOM 1634 C GLU A 104 15.220 -3.168 -13.368 1.00 2.51 C ATOM 1635 O GLU A 104 16.426 -3.068 -13.149 1.00 22.34 O ATOM 1636 CB GLU A 104 13.391 -4.747 -12.646 1.00 32.13 C ATOM 1637 CG GLU A 104 12.787 -4.543 -14.037 1.00 20.34 C ATOM 1638 CD GLU A 104 12.108 -5.822 -14.533 1.00 3.30 C ATOM 1639 OE1 GLU A 104 11.397 -6.485 -13.762 1.00 3.03 O ATOM 1640 OE2 GLU A 104 12.339 -6.120 -15.766 1.00 64.02 O1- ATOM 0 H GLU A 104 12.449 -2.633 -11.709 1.00 33.11 H new ATOM 0 HA GLU A 104 14.843 -3.843 -11.372 1.00 43.24 H new ATOM 0 HB2 GLU A 104 13.994 -5.655 -12.637 1.00 32.13 H new ATOM 0 HB3 GLU A 104 12.594 -4.886 -11.916 1.00 32.13 H new ATOM 0 HG2 GLU A 104 12.061 -3.730 -14.007 1.00 20.34 H new ATOM 0 HG3 GLU A 104 13.568 -4.247 -14.737 1.00 20.34 H new