USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 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 74 TYR OH : rot 34:sc= -1.45! USER MOD Set 1.2: A 75 LYS NZ :NH3+ -121:sc= 0.322 (180deg=-0.0558) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.459 K(o=0.46,f=-7.1!) USER MOD Set 2.2: A 22 ASN : amide:sc= 0 X(o=0.46,f=0.024) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0924 (180deg=-0.368) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.245 (180deg=0) USER MOD Single : A 2 SER OG : rot -160:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.16) USER MOD Single : A 14 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0172) USER MOD Single : A 25 MET CE :methyl -157:sc= -0.209 (180deg=-0.839) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 38 SER OG : rot 82:sc= 0.634 USER MOD Single : A 40 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0238) USER MOD Single : A 43 THR OG1 : rot -160:sc= -1.18 USER MOD Single : A 44 SER OG : rot -82:sc= 1.34 USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00466 USER MOD Single : A 49 TYR OH : rot -179:sc= 0.00959 USER MOD Single : A 50 SER OG : rot 86:sc= 1.22 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.671 K(o=-0.67,f=-1.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.33) USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= 1.21 (180deg=1.09) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.355 USER MOD Single : A 65 MET CE :methyl 180:sc= -0.132 (180deg=-0.132) USER MOD Single : A 71 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.41) USER MOD Single : A 73 TYR OH : rot 93:sc= -0.896 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.02) USER MOD Single : A 81 ASN : amide:sc= 0.13 K(o=0.13,f=-0.72) USER MOD Single : A 83 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.3!) USER MOD Single : A 84 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.049) USER MOD Single : A 88 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 89 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 91 LYS NZ :NH3+ -130:sc= 0.367 (180deg=-0.452) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HE2:sc= 0.141 K(o=0.14,f=-5!) USER MOD Single : A 97 HIS : no HD1:sc=-7.46e-06 X(o=-7.5e-06,f=-0.0086) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.252 16.290 2.410 1.00 0.00 N ATOM 2 CA MET A 1 -1.498 16.576 3.119 1.00 0.00 C ATOM 3 C MET A 1 -2.572 15.704 2.546 1.00 0.00 C ATOM 4 O MET A 1 -2.396 15.196 1.443 1.00 0.00 O ATOM 5 CB MET A 1 -1.901 18.060 2.980 1.00 0.00 C ATOM 6 CG MET A 1 -2.162 18.519 1.542 1.00 0.00 C ATOM 7 SD MET A 1 -2.782 20.220 1.436 1.00 0.00 S ATOM 8 CE MET A 1 -1.472 21.141 2.249 1.00 0.00 C ATOM 0 H1 MET A 1 0.213 17.183 2.152 1.00 0.00 H new ATOM 0 H2 MET A 1 0.378 15.736 3.025 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.460 15.746 1.548 1.00 0.00 H new ATOM 0 HA MET A 1 -1.358 16.373 4.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.799 18.236 3.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.112 18.679 3.407 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.238 18.440 0.969 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.884 17.847 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.602 22.206 2.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.512 20.959 3.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.506 20.818 1.862 1.00 0.00 H new ATOM 20 N SER A 2 -3.669 15.544 3.287 1.00 0.00 N ATOM 21 CA SER A 2 -4.825 14.767 2.865 1.00 0.00 C ATOM 22 C SER A 2 -4.503 13.277 2.704 1.00 0.00 C ATOM 23 O SER A 2 -4.065 12.825 1.649 1.00 0.00 O ATOM 24 CB SER A 2 -5.439 15.361 1.594 1.00 0.00 C ATOM 25 OG SER A 2 -5.813 16.729 1.803 1.00 0.00 O ATOM 0 H SER A 2 -3.777 15.960 4.212 1.00 0.00 H new ATOM 0 HA SER A 2 -5.568 14.829 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.724 15.296 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.314 14.780 1.301 1.00 0.00 H new ATOM 0 HG SER A 2 -6.470 16.995 1.127 1.00 0.00 H new ATOM 31 N ILE A 3 -4.665 12.546 3.785 1.00 0.00 N ATOM 32 CA ILE A 3 -4.426 11.118 3.794 1.00 0.00 C ATOM 33 C ILE A 3 -5.261 10.456 4.908 1.00 0.00 C ATOM 34 O ILE A 3 -5.739 9.325 4.773 1.00 0.00 O ATOM 35 CB ILE A 3 -2.899 10.783 3.943 1.00 0.00 C ATOM 36 CG1 ILE A 3 -2.634 9.281 3.792 1.00 0.00 C ATOM 37 CG2 ILE A 3 -2.324 11.300 5.260 1.00 0.00 C ATOM 38 CD1 ILE A 3 -2.976 8.717 2.424 1.00 0.00 C ATOM 0 H ILE A 3 -4.966 12.924 4.683 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.741 10.711 2.833 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.387 11.302 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.581 9.088 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.210 8.745 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.266 11.046 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.440 12.383 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.855 10.841 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.758 7.649 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.035 8.874 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.381 9.222 1.663 1.00 0.00 H new ATOM 50 N LEU A 4 -5.508 11.210 5.977 1.00 0.00 N ATOM 51 CA LEU A 4 -6.295 10.739 7.117 1.00 0.00 C ATOM 52 C LEU A 4 -7.797 10.866 6.841 1.00 0.00 C ATOM 53 O LEU A 4 -8.629 10.754 7.746 1.00 0.00 O ATOM 54 CB LEU A 4 -5.924 11.514 8.390 1.00 0.00 C ATOM 55 CG LEU A 4 -4.476 11.386 8.876 1.00 0.00 C ATOM 56 CD1 LEU A 4 -4.253 12.269 10.091 1.00 0.00 C ATOM 57 CD2 LEU A 4 -4.144 9.936 9.214 1.00 0.00 C ATOM 0 H LEU A 4 -5.168 12.166 6.078 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.062 9.685 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.133 12.570 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.583 11.184 9.193 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.815 11.711 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.221 12.170 10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.451 13.308 9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.927 11.963 10.891 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.111 9.870 9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.811 9.584 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.272 9.317 8.326 1.00 0.00 H new ATOM 69 N GLU A 5 -8.134 11.083 5.589 1.00 0.00 N ATOM 70 CA GLU A 5 -9.511 11.200 5.142 1.00 0.00 C ATOM 71 C GLU A 5 -10.069 9.810 4.829 1.00 0.00 C ATOM 72 O GLU A 5 -11.169 9.676 4.270 1.00 0.00 O ATOM 73 CB GLU A 5 -9.575 12.021 3.853 1.00 0.00 C ATOM 74 CG GLU A 5 -8.964 13.405 3.912 1.00 0.00 C ATOM 75 CD GLU A 5 -9.069 14.104 2.575 1.00 0.00 C ATOM 76 OE1 GLU A 5 -8.184 13.913 1.717 1.00 0.00 O ATOM 77 OE2 GLU A 5 -10.071 14.831 2.343 1.00 0.00 O ATOM 0 H GLU A 5 -7.451 11.185 4.838 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.089 11.682 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.076 11.459 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.621 12.120 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.469 13.997 4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.917 13.331 4.206 1.00 0.00 H new ATOM 84 N ASP A 6 -9.326 8.778 5.168 1.00 0.00 N ATOM 85 CA ASP A 6 -9.727 7.441 4.809 1.00 0.00 C ATOM 86 C ASP A 6 -9.765 6.522 6.028 1.00 0.00 C ATOM 87 O ASP A 6 -8.792 6.459 6.790 1.00 0.00 O ATOM 88 CB ASP A 6 -8.780 6.878 3.771 1.00 0.00 C ATOM 89 CG ASP A 6 -9.344 5.664 3.125 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.190 4.564 3.669 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.993 5.812 2.050 1.00 0.00 O ATOM 0 H ASP A 6 -8.450 8.841 5.687 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.734 7.494 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.577 7.634 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.827 6.633 4.240 1.00 0.00 H new ATOM 96 N PRO A 7 -10.884 5.792 6.234 1.00 0.00 N ATOM 97 CA PRO A 7 -11.042 4.902 7.378 1.00 0.00 C ATOM 98 C PRO A 7 -10.186 3.646 7.272 1.00 0.00 C ATOM 99 O PRO A 7 -9.765 3.082 8.290 1.00 0.00 O ATOM 100 CB PRO A 7 -12.526 4.514 7.366 1.00 0.00 C ATOM 101 CG PRO A 7 -13.162 5.347 6.305 1.00 0.00 C ATOM 102 CD PRO A 7 -12.074 5.758 5.369 1.00 0.00 C ATOM 0 HA PRO A 7 -10.726 5.399 8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.650 3.452 7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.986 4.701 8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.931 4.782 5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.649 6.220 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.957 5.048 4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.274 6.731 4.921 1.00 0.00 H new ATOM 110 N GLU A 8 -9.905 3.211 6.063 1.00 0.00 N ATOM 111 CA GLU A 8 -9.135 2.015 5.888 1.00 0.00 C ATOM 112 C GLU A 8 -7.682 2.322 6.198 1.00 0.00 C ATOM 113 O GLU A 8 -6.984 1.514 6.805 1.00 0.00 O ATOM 114 CB GLU A 8 -9.305 1.432 4.479 1.00 0.00 C ATOM 115 CG GLU A 8 -10.752 1.100 4.106 1.00 0.00 C ATOM 116 CD GLU A 8 -11.428 0.150 5.080 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.248 -1.075 4.979 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.175 0.607 5.961 1.00 0.00 O ATOM 0 H GLU A 8 -10.198 3.667 5.199 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.495 1.251 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.909 2.143 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.704 0.526 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.327 2.025 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.770 0.659 3.109 1.00 0.00 H new ATOM 125 N PHE A 9 -7.260 3.528 5.839 1.00 0.00 N ATOM 126 CA PHE A 9 -5.897 3.988 6.099 1.00 0.00 C ATOM 127 C PHE A 9 -5.597 4.013 7.600 1.00 0.00 C ATOM 128 O PHE A 9 -4.562 3.495 8.044 1.00 0.00 O ATOM 129 CB PHE A 9 -5.653 5.377 5.479 1.00 0.00 C ATOM 130 CG PHE A 9 -4.251 5.896 5.684 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.213 5.467 4.872 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.969 6.803 6.702 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.927 5.931 5.065 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.684 7.267 6.898 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.665 6.831 6.081 1.00 0.00 C ATOM 0 H PHE A 9 -7.847 4.213 5.362 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.217 3.278 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.860 5.329 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.360 6.086 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.412 4.761 4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.765 7.147 7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.127 5.591 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.478 7.971 7.691 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.659 7.193 6.234 1.00 0.00 H new ATOM 145 N VAL A 10 -6.507 4.582 8.386 1.00 0.00 N ATOM 146 CA VAL A 10 -6.304 4.661 9.829 1.00 0.00 C ATOM 147 C VAL A 10 -6.246 3.256 10.453 1.00 0.00 C ATOM 148 O VAL A 10 -5.505 3.005 11.410 1.00 0.00 O ATOM 149 CB VAL A 10 -7.342 5.582 10.565 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.759 5.042 10.503 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.913 5.836 12.004 1.00 0.00 C ATOM 0 H VAL A 10 -7.381 4.990 8.054 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.338 5.144 9.974 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.353 6.532 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.430 5.721 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.071 4.957 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.795 4.060 10.974 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.646 6.476 12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.845 4.887 12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.940 6.327 12.012 1.00 0.00 H new ATOM 161 N LYS A 11 -7.018 2.337 9.909 1.00 0.00 N ATOM 162 CA LYS A 11 -6.975 0.977 10.367 1.00 0.00 C ATOM 163 C LYS A 11 -5.691 0.277 9.967 1.00 0.00 C ATOM 164 O LYS A 11 -5.211 -0.537 10.704 1.00 0.00 O ATOM 165 CB LYS A 11 -8.200 0.199 9.947 1.00 0.00 C ATOM 166 CG LYS A 11 -9.452 0.686 10.646 1.00 0.00 C ATOM 167 CD LYS A 11 -10.674 -0.111 10.246 1.00 0.00 C ATOM 168 CE LYS A 11 -11.010 0.105 8.790 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.234 -0.592 8.385 1.00 0.00 N ATOM 0 H LYS A 11 -7.678 2.513 9.152 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.983 1.014 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.331 0.285 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.051 -0.858 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.313 0.619 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.613 1.738 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.497 -1.171 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.522 0.181 10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.125 1.172 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.179 -0.240 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.522 -0.267 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.058 -1.617 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.992 -0.388 9.067 1.00 0.00 H new ATOM 183 N LEU A 12 -5.114 0.636 8.822 1.00 0.00 N ATOM 184 CA LEU A 12 -3.817 0.066 8.393 1.00 0.00 C ATOM 185 C LEU A 12 -2.723 0.428 9.383 1.00 0.00 C ATOM 186 O LEU A 12 -1.830 -0.371 9.670 1.00 0.00 O ATOM 187 CB LEU A 12 -3.412 0.566 7.005 1.00 0.00 C ATOM 188 CG LEU A 12 -4.275 0.131 5.833 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.777 0.790 4.573 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.248 -1.381 5.676 1.00 0.00 C ATOM 0 H LEU A 12 -5.512 1.313 8.172 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.941 -1.016 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.398 1.656 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.390 0.239 6.812 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.305 0.435 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.395 0.479 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.832 1.873 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.743 0.495 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.873 -1.670 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.224 -1.710 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.628 -1.848 6.585 1.00 0.00 H new ATOM 202 N ARG A 13 -2.818 1.636 9.906 1.00 0.00 N ATOM 203 CA ARG A 13 -1.889 2.151 10.909 1.00 0.00 C ATOM 204 C ARG A 13 -1.965 1.285 12.180 1.00 0.00 C ATOM 205 O ARG A 13 -0.955 0.992 12.831 1.00 0.00 O ATOM 206 CB ARG A 13 -2.281 3.603 11.228 1.00 0.00 C ATOM 207 CG ARG A 13 -1.358 4.343 12.179 1.00 0.00 C ATOM 208 CD ARG A 13 0.008 4.606 11.570 1.00 0.00 C ATOM 209 NE ARG A 13 0.854 5.362 12.494 1.00 0.00 N ATOM 210 CZ ARG A 13 2.034 5.933 12.198 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.548 5.846 10.975 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.684 6.606 13.133 1.00 0.00 N ATOM 0 H ARG A 13 -3.549 2.299 9.647 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.867 2.119 10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.330 4.160 10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.285 3.603 11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.816 5.291 12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.240 3.761 13.093 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.489 3.660 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.105 5.160 10.638 1.00 0.00 H new ATOM 0 HE ARG A 13 0.517 5.465 13.451 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.046 5.340 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.445 6.285 10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.289 6.688 14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.580 7.043 12.917 1.00 0.00 H new ATOM 226 N GLN A 14 -3.173 0.884 12.502 1.00 0.00 N ATOM 227 CA GLN A 14 -3.452 0.050 13.658 1.00 0.00 C ATOM 228 C GLN A 14 -3.148 -1.434 13.366 1.00 0.00 C ATOM 229 O GLN A 14 -2.728 -2.172 14.242 1.00 0.00 O ATOM 230 CB GLN A 14 -4.903 0.263 14.077 1.00 0.00 C ATOM 231 CG GLN A 14 -5.172 1.694 14.536 1.00 0.00 C ATOM 232 CD GLN A 14 -6.634 1.989 14.774 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.158 1.803 15.878 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.297 2.483 13.760 1.00 0.00 N ATOM 0 H GLN A 14 -4.004 1.129 11.964 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.800 0.338 14.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.559 0.023 13.240 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.150 -0.427 14.884 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.618 1.882 15.456 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.788 2.385 13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.830 2.622 12.864 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.281 2.729 13.865 1.00 0.00 H new ATOM 243 N PHE A 15 -3.370 -1.835 12.126 1.00 0.00 N ATOM 244 CA PHE A 15 -3.098 -3.190 11.626 1.00 0.00 C ATOM 245 C PHE A 15 -1.591 -3.452 11.736 1.00 0.00 C ATOM 246 O PHE A 15 -1.151 -4.518 12.186 1.00 0.00 O ATOM 247 CB PHE A 15 -3.568 -3.244 10.151 1.00 0.00 C ATOM 248 CG PHE A 15 -3.605 -4.595 9.482 1.00 0.00 C ATOM 249 CD1 PHE A 15 -4.685 -5.442 9.670 1.00 0.00 C ATOM 250 CD2 PHE A 15 -2.587 -4.999 8.637 1.00 0.00 C ATOM 251 CE1 PHE A 15 -4.747 -6.668 9.033 1.00 0.00 C ATOM 252 CE2 PHE A 15 -2.646 -6.223 7.993 1.00 0.00 C ATOM 253 CZ PHE A 15 -3.724 -7.057 8.193 1.00 0.00 C ATOM 0 H PHE A 15 -3.755 -1.217 11.412 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.624 -3.952 12.201 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.569 -2.816 10.101 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.915 -2.596 9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.490 -5.141 10.324 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.737 -4.352 8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.594 -7.319 9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.846 -6.524 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.768 -8.013 7.693 1.00 0.00 H new ATOM 263 N LYS A 16 -0.832 -2.439 11.343 1.00 0.00 N ATOM 264 CA LYS A 16 0.618 -2.396 11.427 1.00 0.00 C ATOM 265 C LYS A 16 1.301 -3.522 10.649 1.00 0.00 C ATOM 266 O LYS A 16 1.836 -4.490 11.224 1.00 0.00 O ATOM 267 CB LYS A 16 1.114 -2.292 12.887 1.00 0.00 C ATOM 268 CG LYS A 16 2.620 -2.089 13.037 1.00 0.00 C ATOM 269 CD LYS A 16 3.002 -1.924 14.494 1.00 0.00 C ATOM 270 CE LYS A 16 4.495 -1.696 14.667 1.00 0.00 C ATOM 271 NZ LYS A 16 4.854 -1.429 16.076 1.00 0.00 N ATOM 0 H LYS A 16 -1.228 -1.590 10.940 1.00 0.00 H new ATOM 0 HA LYS A 16 0.922 -1.475 10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.599 -1.463 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.829 -3.200 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.150 -2.942 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.930 -1.209 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.455 -1.083 14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.704 -2.813 15.050 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.039 -2.572 14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.808 -0.855 14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.880 -1.279 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.355 -0.578 16.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.579 -2.242 16.664 1.00 0.00 H new ATOM 285 N GLY A 17 1.208 -3.417 9.345 1.00 0.00 N ATOM 286 CA GLY A 17 1.908 -4.308 8.462 1.00 0.00 C ATOM 287 C GLY A 17 1.318 -5.698 8.363 1.00 0.00 C ATOM 288 O GLY A 17 0.402 -5.923 7.585 1.00 0.00 O ATOM 0 H GLY A 17 0.645 -2.711 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.930 -3.866 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.942 -4.391 8.797 1.00 0.00 H new ATOM 292 N LYS A 18 1.860 -6.625 9.173 1.00 0.00 N ATOM 293 CA LYS A 18 1.548 -8.072 9.142 1.00 0.00 C ATOM 294 C LYS A 18 1.884 -8.687 7.780 1.00 0.00 C ATOM 295 O LYS A 18 1.491 -9.809 7.461 1.00 0.00 O ATOM 296 CB LYS A 18 0.098 -8.318 9.532 1.00 0.00 C ATOM 297 CG LYS A 18 -0.201 -7.943 10.977 1.00 0.00 C ATOM 298 CD LYS A 18 -1.689 -7.848 11.221 1.00 0.00 C ATOM 299 CE LYS A 18 -2.419 -9.183 11.029 1.00 0.00 C ATOM 300 NZ LYS A 18 -2.033 -10.194 12.042 1.00 0.00 N ATOM 0 H LYS A 18 2.547 -6.385 9.888 1.00 0.00 H new ATOM 0 HA LYS A 18 2.178 -8.571 9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.552 -7.745 8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.140 -9.371 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.233 -8.687 11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.270 -6.989 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.862 -7.489 12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.115 -7.108 10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.495 -9.015 11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.204 -9.571 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.591 -11.060 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.021 -10.414 11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.215 -9.818 12.994 1.00 0.00 H new ATOM 314 N VAL A 19 2.677 -7.970 7.034 1.00 0.00 N ATOM 315 CA VAL A 19 3.090 -8.329 5.700 1.00 0.00 C ATOM 316 C VAL A 19 4.591 -8.173 5.600 1.00 0.00 C ATOM 317 O VAL A 19 5.232 -7.625 6.531 1.00 0.00 O ATOM 318 CB VAL A 19 2.428 -7.407 4.628 1.00 0.00 C ATOM 319 CG1 VAL A 19 0.932 -7.615 4.563 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.731 -5.942 4.921 1.00 0.00 C ATOM 0 H VAL A 19 3.071 -7.083 7.349 1.00 0.00 H new ATOM 0 HA VAL A 19 2.782 -9.358 5.512 1.00 0.00 H new ATOM 0 HB VAL A 19 2.852 -7.676 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.506 -6.957 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.720 -8.652 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.490 -7.387 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.261 -5.315 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.339 -5.679 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.809 -5.783 4.906 1.00 0.00 H new ATOM 330 N ASN A 20 5.159 -8.668 4.531 1.00 0.00 N ATOM 331 CA ASN A 20 6.571 -8.484 4.275 1.00 0.00 C ATOM 332 C ASN A 20 6.762 -7.106 3.667 1.00 0.00 C ATOM 333 O ASN A 20 6.257 -6.836 2.566 1.00 0.00 O ATOM 334 CB ASN A 20 7.073 -9.515 3.273 1.00 0.00 C ATOM 335 CG ASN A 20 8.585 -9.592 3.177 1.00 0.00 C ATOM 336 OD1 ASN A 20 9.302 -8.614 3.387 1.00 0.00 O ATOM 337 ND2 ASN A 20 9.073 -10.744 2.831 1.00 0.00 N ATOM 0 H ASN A 20 4.666 -9.205 3.818 1.00 0.00 H new ATOM 0 HA ASN A 20 7.122 -8.594 5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.686 -10.495 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.668 -9.279 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.081 -10.860 2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.449 -11.533 2.665 1.00 0.00 H new ATOM 344 N PHE A 21 7.501 -6.254 4.355 1.00 0.00 N ATOM 345 CA PHE A 21 7.769 -4.891 3.893 1.00 0.00 C ATOM 346 C PHE A 21 8.447 -4.898 2.534 1.00 0.00 C ATOM 347 O PHE A 21 8.190 -4.027 1.691 1.00 0.00 O ATOM 348 CB PHE A 21 8.662 -4.156 4.908 1.00 0.00 C ATOM 349 CG PHE A 21 9.132 -2.785 4.470 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.315 -1.678 4.587 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.405 -2.619 3.935 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.751 -0.432 4.176 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.845 -1.382 3.525 1.00 0.00 C ATOM 354 CZ PHE A 21 10.020 -0.287 3.643 1.00 0.00 C ATOM 0 H PHE A 21 7.935 -6.481 5.250 1.00 0.00 H new ATOM 0 HA PHE A 21 6.814 -4.373 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.114 -4.054 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.535 -4.774 5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.325 -1.787 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.058 -3.474 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.103 0.426 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.836 -1.270 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.363 0.685 3.320 1.00 0.00 H new ATOM 364 N ASN A 22 9.251 -5.919 2.299 1.00 0.00 N ATOM 365 CA ASN A 22 10.061 -5.987 1.089 1.00 0.00 C ATOM 366 C ASN A 22 9.180 -6.139 -0.109 1.00 0.00 C ATOM 367 O ASN A 22 9.377 -5.475 -1.130 1.00 0.00 O ATOM 368 CB ASN A 22 11.066 -7.152 1.119 1.00 0.00 C ATOM 369 CG ASN A 22 12.057 -7.087 2.264 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.398 -6.015 2.763 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.539 -8.225 2.683 1.00 0.00 N ATOM 0 H ASN A 22 9.363 -6.714 2.928 1.00 0.00 H new ATOM 0 HA ASN A 22 10.625 -5.056 1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.516 -8.091 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.616 -7.168 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.218 -8.242 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.237 -9.097 2.249 1.00 0.00 H new ATOM 378 N LEU A 23 8.173 -6.969 0.029 1.00 0.00 N ATOM 379 CA LEU A 23 7.317 -7.238 -1.073 1.00 0.00 C ATOM 380 C LEU A 23 6.344 -6.096 -1.305 1.00 0.00 C ATOM 381 O LEU A 23 6.106 -5.736 -2.438 1.00 0.00 O ATOM 382 CB LEU A 23 6.617 -8.590 -0.942 1.00 0.00 C ATOM 383 CG LEU A 23 5.807 -9.048 -2.165 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.670 -9.043 -3.419 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.272 -10.435 -1.936 1.00 0.00 C ATOM 0 H LEU A 23 7.938 -7.460 0.891 1.00 0.00 H new ATOM 0 HA LEU A 23 7.941 -7.309 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.370 -9.348 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.948 -8.549 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 23 4.980 -8.352 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.075 -9.371 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.041 -8.034 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.513 -9.720 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.699 -10.752 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.102 -11.123 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.627 -10.436 -1.058 1.00 0.00 H new ATOM 397 N VAL A 24 5.827 -5.493 -0.224 1.00 0.00 N ATOM 398 CA VAL A 24 4.888 -4.351 -0.342 1.00 0.00 C ATOM 399 C VAL A 24 5.552 -3.205 -1.078 1.00 0.00 C ATOM 400 O VAL A 24 4.951 -2.577 -1.955 1.00 0.00 O ATOM 401 CB VAL A 24 4.407 -3.836 1.036 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.404 -2.690 0.882 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.794 -4.951 1.826 1.00 0.00 C ATOM 0 H VAL A 24 6.036 -5.768 0.736 1.00 0.00 H new ATOM 0 HA VAL A 24 4.021 -4.715 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 24 5.277 -3.457 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.085 -2.351 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.874 -1.864 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.537 -3.038 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.461 -4.572 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.941 -5.356 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.533 -5.737 1.980 1.00 0.00 H new ATOM 413 N MET A 25 6.811 -2.970 -0.741 1.00 0.00 N ATOM 414 CA MET A 25 7.608 -1.935 -1.370 1.00 0.00 C ATOM 415 C MET A 25 7.677 -2.169 -2.869 1.00 0.00 C ATOM 416 O MET A 25 7.525 -1.230 -3.670 1.00 0.00 O ATOM 417 CB MET A 25 9.006 -1.885 -0.714 1.00 0.00 C ATOM 418 CG MET A 25 9.981 -0.857 -1.289 1.00 0.00 C ATOM 419 SD MET A 25 10.797 -1.363 -2.825 1.00 0.00 S ATOM 420 CE MET A 25 11.713 -2.805 -2.271 1.00 0.00 C ATOM 0 H MET A 25 7.308 -3.495 -0.021 1.00 0.00 H new ATOM 0 HA MET A 25 7.141 -0.961 -1.220 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.879 -1.681 0.349 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.460 -2.873 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.442 0.073 -1.469 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.745 -0.643 -0.541 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.552 -2.984 -2.944 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.087 -2.633 -1.262 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.057 -3.675 -2.271 1.00 0.00 H new ATOM 430 N GLN A 26 7.831 -3.421 -3.245 1.00 0.00 N ATOM 431 CA GLN A 26 7.880 -3.784 -4.632 1.00 0.00 C ATOM 432 C GLN A 26 6.480 -3.729 -5.266 1.00 0.00 C ATOM 433 O GLN A 26 6.352 -3.353 -6.403 1.00 0.00 O ATOM 434 CB GLN A 26 8.493 -5.166 -4.819 1.00 0.00 C ATOM 435 CG GLN A 26 8.565 -5.606 -6.271 1.00 0.00 C ATOM 436 CD GLN A 26 9.093 -6.998 -6.437 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.921 -7.857 -5.565 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.721 -7.249 -7.537 1.00 0.00 N ATOM 0 H GLN A 26 7.924 -4.205 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 26 8.516 -3.058 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.498 -5.169 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.908 -5.893 -4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.570 -5.546 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.201 -4.914 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.843 -6.514 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.095 -8.182 -7.709 1.00 0.00 H new ATOM 447 N ILE A 27 5.443 -4.106 -4.511 1.00 0.00 N ATOM 448 CA ILE A 27 4.048 -4.060 -5.001 1.00 0.00 C ATOM 449 C ILE A 27 3.717 -2.640 -5.452 1.00 0.00 C ATOM 450 O ILE A 27 3.206 -2.417 -6.560 1.00 0.00 O ATOM 451 CB ILE A 27 3.016 -4.492 -3.892 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.236 -5.949 -3.425 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.568 -4.287 -4.347 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.099 -7.000 -4.507 1.00 0.00 C ATOM 0 H ILE A 27 5.537 -4.448 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 27 3.968 -4.762 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 27 3.197 -3.839 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.232 -6.027 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.522 -6.171 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.890 -4.597 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.404 -3.234 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.379 -4.884 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.271 -7.987 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.095 -6.958 -4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.832 -6.812 -5.292 1.00 0.00 H new ATOM 466 N LEU A 28 4.070 -1.695 -4.607 1.00 0.00 N ATOM 467 CA LEU A 28 3.844 -0.290 -4.862 1.00 0.00 C ATOM 468 C LEU A 28 4.667 0.170 -6.060 1.00 0.00 C ATOM 469 O LEU A 28 4.181 0.889 -6.915 1.00 0.00 O ATOM 470 CB LEU A 28 4.221 0.506 -3.623 1.00 0.00 C ATOM 471 CG LEU A 28 3.459 0.147 -2.344 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.025 0.902 -1.172 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.974 0.443 -2.489 1.00 0.00 C ATOM 0 H LEU A 28 4.527 -1.883 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 28 2.791 -0.127 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.287 0.372 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.064 1.564 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 28 3.577 -0.923 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.475 0.638 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.076 0.642 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.935 1.973 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.458 0.178 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.833 1.505 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.565 -0.141 -3.313 1.00 0.00 H new ATOM 485 N ASP A 29 5.896 -0.301 -6.127 1.00 0.00 N ATOM 486 CA ASP A 29 6.828 0.033 -7.211 1.00 0.00 C ATOM 487 C ASP A 29 6.319 -0.500 -8.538 1.00 0.00 C ATOM 488 O ASP A 29 6.275 0.208 -9.549 1.00 0.00 O ATOM 489 CB ASP A 29 8.170 -0.615 -6.922 1.00 0.00 C ATOM 490 CG ASP A 29 9.222 -0.302 -7.964 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.726 0.844 -8.003 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.600 -1.213 -8.728 1.00 0.00 O ATOM 0 H ASP A 29 6.289 -0.933 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 29 6.921 1.117 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.524 -0.282 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.039 -1.695 -6.861 1.00 0.00 H new ATOM 497 N GLU A 30 5.918 -1.743 -8.496 1.00 0.00 N ATOM 498 CA GLU A 30 5.447 -2.491 -9.641 1.00 0.00 C ATOM 499 C GLU A 30 4.218 -1.800 -10.263 1.00 0.00 C ATOM 500 O GLU A 30 4.138 -1.641 -11.490 1.00 0.00 O ATOM 501 CB GLU A 30 5.081 -3.915 -9.197 1.00 0.00 C ATOM 502 CG GLU A 30 5.096 -4.957 -10.299 1.00 0.00 C ATOM 503 CD GLU A 30 6.487 -5.337 -10.730 1.00 0.00 C ATOM 504 OE1 GLU A 30 7.171 -4.533 -11.399 1.00 0.00 O ATOM 505 OE2 GLU A 30 6.926 -6.463 -10.408 1.00 0.00 O ATOM 0 H GLU A 30 5.909 -2.286 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 30 6.235 -2.534 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.775 -4.225 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.087 -3.895 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.572 -5.849 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.546 -4.576 -11.160 1.00 0.00 H new ATOM 512 N ILE A 31 3.265 -1.378 -9.420 1.00 0.00 N ATOM 513 CA ILE A 31 2.082 -0.682 -9.933 1.00 0.00 C ATOM 514 C ILE A 31 2.454 0.720 -10.406 1.00 0.00 C ATOM 515 O ILE A 31 1.990 1.166 -11.438 1.00 0.00 O ATOM 516 CB ILE A 31 0.889 -0.598 -8.910 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.252 0.237 -7.676 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.432 -1.987 -8.499 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.131 0.419 -6.687 1.00 0.00 C ATOM 0 H ILE A 31 3.289 -1.503 -8.408 1.00 0.00 H new ATOM 0 HA ILE A 31 1.727 -1.284 -10.769 1.00 0.00 H new ATOM 0 HB ILE A 31 0.065 -0.095 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.093 -0.236 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.590 1.219 -8.006 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.393 -1.904 -7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.101 -2.537 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.260 -2.518 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.480 1.022 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.705 0.923 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.195 -0.555 -6.323 1.00 0.00 H new ATOM 531 N GLU A 32 3.329 1.374 -9.650 1.00 0.00 N ATOM 532 CA GLU A 32 3.812 2.723 -9.924 1.00 0.00 C ATOM 533 C GLU A 32 4.398 2.829 -11.332 1.00 0.00 C ATOM 534 O GLU A 32 4.003 3.702 -12.117 1.00 0.00 O ATOM 535 CB GLU A 32 4.878 3.079 -8.888 1.00 0.00 C ATOM 536 CG GLU A 32 5.461 4.462 -8.997 1.00 0.00 C ATOM 537 CD GLU A 32 6.516 4.706 -7.948 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.165 5.056 -6.790 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.736 4.544 -8.260 1.00 0.00 O ATOM 0 H GLU A 32 3.733 0.969 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 32 2.975 3.418 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.444 2.965 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.690 2.356 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.895 4.597 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.667 5.201 -8.893 1.00 0.00 H new ATOM 546 N LEU A 33 5.306 1.925 -11.652 1.00 0.00 N ATOM 547 CA LEU A 33 5.976 1.930 -12.944 1.00 0.00 C ATOM 548 C LEU A 33 5.031 1.581 -14.093 1.00 0.00 C ATOM 549 O LEU A 33 5.248 2.004 -15.220 1.00 0.00 O ATOM 550 CB LEU A 33 7.241 1.038 -12.919 1.00 0.00 C ATOM 551 CG LEU A 33 7.069 -0.473 -12.639 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.614 -1.246 -13.871 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.345 -1.051 -12.094 1.00 0.00 C ATOM 0 H LEU A 33 5.600 1.171 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 33 6.307 2.951 -13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.740 1.143 -13.882 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.917 1.441 -12.164 1.00 0.00 H new ATOM 0 HG LEU A 33 6.281 -0.575 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.509 -2.301 -13.620 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.655 -0.856 -14.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.353 -1.134 -14.664 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.209 -2.115 -11.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.146 -0.913 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.606 -0.545 -11.165 1.00 0.00 H new ATOM 565 N ASP A 34 4.009 0.791 -13.806 1.00 0.00 N ATOM 566 CA ASP A 34 3.014 0.432 -14.823 1.00 0.00 C ATOM 567 C ASP A 34 2.075 1.593 -15.069 1.00 0.00 C ATOM 568 O ASP A 34 1.843 2.014 -16.213 1.00 0.00 O ATOM 569 CB ASP A 34 2.206 -0.798 -14.391 1.00 0.00 C ATOM 570 CG ASP A 34 1.137 -1.187 -15.402 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.437 -1.958 -16.341 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.015 -0.730 -15.278 1.00 0.00 O ATOM 0 H ASP A 34 3.841 0.385 -12.886 1.00 0.00 H new ATOM 0 HA ASP A 34 3.546 0.194 -15.744 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.884 -1.639 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.734 -0.597 -13.429 1.00 0.00 H new ATOM 577 N LEU A 35 1.560 2.117 -13.980 1.00 0.00 N ATOM 578 CA LEU A 35 0.606 3.197 -13.989 1.00 0.00 C ATOM 579 C LEU A 35 1.189 4.450 -14.608 1.00 0.00 C ATOM 580 O LEU A 35 0.683 4.928 -15.636 1.00 0.00 O ATOM 581 CB LEU A 35 0.159 3.498 -12.556 1.00 0.00 C ATOM 582 CG LEU A 35 -0.803 4.667 -12.374 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.117 4.390 -13.062 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.011 4.955 -10.903 1.00 0.00 C ATOM 0 H LEU A 35 1.800 1.795 -13.042 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.247 2.887 -14.592 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.312 2.603 -12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.048 3.691 -11.955 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.364 5.551 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.788 5.237 -12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.945 4.239 -14.128 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.569 3.494 -12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.700 5.792 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.427 4.074 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.056 5.207 -10.443 1.00 0.00 H new ATOM 596 N ARG A 36 2.271 4.948 -14.002 1.00 0.00 N ATOM 597 CA ARG A 36 2.936 6.202 -14.388 1.00 0.00 C ATOM 598 C ARG A 36 1.972 7.395 -14.290 1.00 0.00 C ATOM 599 O ARG A 36 1.933 8.083 -13.269 1.00 0.00 O ATOM 600 CB ARG A 36 3.576 6.112 -15.785 1.00 0.00 C ATOM 601 CG ARG A 36 4.616 5.020 -15.933 1.00 0.00 C ATOM 602 CD ARG A 36 5.809 5.246 -15.022 1.00 0.00 C ATOM 603 NE ARG A 36 6.556 6.453 -15.380 1.00 0.00 N ATOM 604 CZ ARG A 36 7.748 6.786 -14.884 1.00 0.00 C ATOM 605 NH1 ARG A 36 8.309 6.035 -13.942 1.00 0.00 N ATOM 606 NH2 ARG A 36 8.362 7.883 -15.316 1.00 0.00 N ATOM 0 H ARG A 36 2.720 4.483 -13.213 1.00 0.00 H new ATOM 0 HA ARG A 36 3.746 6.367 -13.678 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.789 5.948 -16.521 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.038 7.070 -16.021 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.164 4.055 -15.706 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.953 4.978 -16.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.467 5.325 -13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.472 4.382 -15.073 1.00 0.00 H new ATOM 0 HE ARG A 36 6.133 7.086 -16.059 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.828 5.204 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.221 6.290 -13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.921 8.468 -16.026 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.274 8.140 -14.938 1.00 0.00 H new ATOM 620 N GLY A 37 1.174 7.599 -15.326 1.00 0.00 N ATOM 621 CA GLY A 37 0.213 8.673 -15.339 1.00 0.00 C ATOM 622 C GLY A 37 -1.086 8.252 -15.988 1.00 0.00 C ATOM 623 O GLY A 37 -1.872 9.088 -16.440 1.00 0.00 O ATOM 0 H GLY A 37 1.179 7.027 -16.170 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.020 9.001 -14.318 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.628 9.526 -15.875 1.00 0.00 H new ATOM 627 N SER A 38 -1.302 6.959 -16.053 1.00 0.00 N ATOM 628 CA SER A 38 -2.513 6.411 -16.634 1.00 0.00 C ATOM 629 C SER A 38 -3.662 6.488 -15.606 1.00 0.00 C ATOM 630 O SER A 38 -3.445 6.885 -14.453 1.00 0.00 O ATOM 631 CB SER A 38 -2.246 4.967 -17.062 1.00 0.00 C ATOM 632 OG SER A 38 -1.092 4.905 -17.896 1.00 0.00 O ATOM 0 H SER A 38 -0.648 6.257 -15.707 1.00 0.00 H new ATOM 0 HA SER A 38 -2.808 6.987 -17.511 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.101 4.340 -16.182 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.111 4.573 -17.596 1.00 0.00 H new ATOM 0 HG SER A 38 -0.286 4.901 -17.339 1.00 0.00 H new ATOM 638 N ASP A 39 -4.867 6.132 -16.003 1.00 0.00 N ATOM 639 CA ASP A 39 -5.997 6.183 -15.080 1.00 0.00 C ATOM 640 C ASP A 39 -6.409 4.791 -14.620 1.00 0.00 C ATOM 641 O ASP A 39 -7.103 4.636 -13.613 1.00 0.00 O ATOM 642 CB ASP A 39 -7.200 6.968 -15.662 1.00 0.00 C ATOM 643 CG ASP A 39 -7.951 6.264 -16.773 1.00 0.00 C ATOM 644 OD1 ASP A 39 -7.376 6.036 -17.855 1.00 0.00 O ATOM 645 OD2 ASP A 39 -9.157 5.955 -16.593 1.00 0.00 O ATOM 0 H ASP A 39 -5.094 5.808 -16.943 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.658 6.733 -14.202 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.898 7.184 -14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.841 7.926 -16.038 1.00 0.00 H new ATOM 650 N ASN A 40 -5.931 3.778 -15.309 1.00 0.00 N ATOM 651 CA ASN A 40 -6.254 2.386 -14.983 1.00 0.00 C ATOM 652 C ASN A 40 -5.339 1.808 -13.910 1.00 0.00 C ATOM 653 O ASN A 40 -4.784 0.726 -14.076 1.00 0.00 O ATOM 654 CB ASN A 40 -6.226 1.488 -16.228 1.00 0.00 C ATOM 655 CG ASN A 40 -7.406 1.686 -17.151 1.00 0.00 C ATOM 656 OD1 ASN A 40 -8.508 2.030 -16.717 1.00 0.00 O ATOM 657 ND2 ASN A 40 -7.203 1.441 -18.412 1.00 0.00 N ATOM 0 H ASN A 40 -5.309 3.884 -16.110 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.269 2.403 -14.585 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.307 1.680 -16.782 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.195 0.445 -15.912 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.969 1.531 -19.079 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.277 1.159 -18.734 1.00 0.00 H new ATOM 664 N ILE A 41 -5.233 2.498 -12.783 1.00 0.00 N ATOM 665 CA ILE A 41 -4.411 2.019 -11.659 1.00 0.00 C ATOM 666 C ILE A 41 -4.954 0.692 -11.131 1.00 0.00 C ATOM 667 O ILE A 41 -4.205 -0.191 -10.746 1.00 0.00 O ATOM 668 CB ILE A 41 -4.322 3.054 -10.503 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.495 2.462 -9.325 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.721 3.498 -10.069 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.252 3.397 -8.167 1.00 0.00 C ATOM 0 H ILE A 41 -5.700 3.389 -12.614 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.401 1.874 -12.043 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.803 3.946 -10.853 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.009 1.576 -8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.531 2.132 -9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.638 4.222 -9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.236 3.956 -10.914 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.287 2.632 -9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.667 2.885 -7.403 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.706 4.273 -8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.207 3.709 -7.745 1.00 0.00 H new ATOM 683 N LYS A 42 -6.256 0.554 -11.167 1.00 0.00 N ATOM 684 CA LYS A 42 -6.918 -0.665 -10.763 1.00 0.00 C ATOM 685 C LYS A 42 -6.495 -1.861 -11.626 1.00 0.00 C ATOM 686 O LYS A 42 -6.457 -2.988 -11.159 1.00 0.00 O ATOM 687 CB LYS A 42 -8.453 -0.467 -10.688 1.00 0.00 C ATOM 688 CG LYS A 42 -9.065 0.488 -11.740 1.00 0.00 C ATOM 689 CD LYS A 42 -8.951 -0.019 -13.181 1.00 0.00 C ATOM 690 CE LYS A 42 -9.758 -1.298 -13.433 1.00 0.00 C ATOM 691 NZ LYS A 42 -11.218 -1.083 -13.331 1.00 0.00 N ATOM 0 H LYS A 42 -6.892 1.288 -11.479 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.591 -0.909 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.931 -1.442 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.703 -0.091 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.117 0.647 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.572 1.457 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.293 0.760 -13.862 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.902 -0.206 -13.412 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.520 -1.683 -14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.456 -2.060 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.716 -1.962 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.461 -0.807 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.504 -0.328 -13.987 1.00 0.00 H new ATOM 705 N THR A 43 -6.122 -1.582 -12.857 1.00 0.00 N ATOM 706 CA THR A 43 -5.664 -2.586 -13.769 1.00 0.00 C ATOM 707 C THR A 43 -4.204 -2.927 -13.440 1.00 0.00 C ATOM 708 O THR A 43 -3.801 -4.097 -13.487 1.00 0.00 O ATOM 709 CB THR A 43 -5.786 -2.070 -15.209 1.00 0.00 C ATOM 710 OG1 THR A 43 -7.095 -1.492 -15.376 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.632 -3.200 -16.197 1.00 0.00 C ATOM 0 H THR A 43 -6.132 -0.640 -13.248 1.00 0.00 H new ATOM 0 HA THR A 43 -6.272 -3.485 -13.673 1.00 0.00 H new ATOM 0 HB THR A 43 -5.003 -1.333 -15.390 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.314 -1.448 -16.330 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.722 -2.811 -17.211 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.653 -3.662 -16.071 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.410 -3.944 -16.023 1.00 0.00 H new ATOM 719 N SER A 44 -3.432 -1.897 -13.064 1.00 0.00 N ATOM 720 CA SER A 44 -2.055 -2.065 -12.628 1.00 0.00 C ATOM 721 C SER A 44 -2.027 -2.976 -11.398 1.00 0.00 C ATOM 722 O SER A 44 -1.168 -3.866 -11.276 1.00 0.00 O ATOM 723 CB SER A 44 -1.455 -0.701 -12.292 1.00 0.00 C ATOM 724 OG SER A 44 -1.639 0.201 -13.370 1.00 0.00 O ATOM 0 H SER A 44 -3.752 -0.929 -13.057 1.00 0.00 H new ATOM 0 HA SER A 44 -1.465 -2.520 -13.424 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.924 -0.302 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.392 -0.808 -12.077 1.00 0.00 H new ATOM 0 HG SER A 44 -0.943 0.052 -14.044 1.00 0.00 H new ATOM 730 N ILE A 45 -3.005 -2.756 -10.510 1.00 0.00 N ATOM 731 CA ILE A 45 -3.207 -3.567 -9.322 1.00 0.00 C ATOM 732 C ILE A 45 -3.360 -5.036 -9.733 1.00 0.00 C ATOM 733 O ILE A 45 -2.656 -5.906 -9.221 1.00 0.00 O ATOM 734 CB ILE A 45 -4.493 -3.113 -8.540 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.374 -1.669 -8.011 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.842 -4.066 -7.407 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.255 -1.449 -7.013 1.00 0.00 C ATOM 0 H ILE A 45 -3.682 -1.999 -10.606 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.343 -3.444 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.308 -3.139 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.225 -0.998 -8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.318 -1.389 -7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.737 -3.711 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.026 -5.061 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.014 -4.109 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.249 -0.406 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.410 -2.090 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.300 -1.693 -7.478 1.00 0.00 H new ATOM 749 N ILE A 46 -4.237 -5.272 -10.709 1.00 0.00 N ATOM 750 CA ILE A 46 -4.547 -6.611 -11.196 1.00 0.00 C ATOM 751 C ILE A 46 -3.290 -7.387 -11.611 1.00 0.00 C ATOM 752 O ILE A 46 -3.103 -8.511 -11.155 1.00 0.00 O ATOM 753 CB ILE A 46 -5.587 -6.589 -12.367 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.907 -5.971 -11.883 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.829 -8.003 -12.918 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.969 -5.822 -12.959 1.00 0.00 C ATOM 0 H ILE A 46 -4.754 -4.533 -11.185 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.999 -7.136 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.182 -5.979 -13.175 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.308 -6.588 -11.079 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.699 -4.989 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.555 -7.958 -13.730 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.891 -8.413 -13.293 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.213 -8.643 -12.123 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.865 -5.378 -12.526 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.593 -5.179 -13.755 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.212 -6.802 -13.369 1.00 0.00 H new ATOM 768 N TYR A 47 -2.412 -6.773 -12.419 1.00 0.00 N ATOM 769 CA TYR A 47 -1.207 -7.478 -12.916 1.00 0.00 C ATOM 770 C TYR A 47 -0.340 -7.923 -11.746 1.00 0.00 C ATOM 771 O TYR A 47 -0.009 -9.099 -11.596 1.00 0.00 O ATOM 772 CB TYR A 47 -0.315 -6.580 -13.794 1.00 0.00 C ATOM 773 CG TYR A 47 -0.996 -5.783 -14.870 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.730 -6.380 -15.882 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.892 -4.412 -14.866 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.339 -5.613 -16.860 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.491 -3.644 -15.830 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.213 -4.240 -16.823 1.00 0.00 C ATOM 779 OH TYR A 47 -2.805 -3.461 -17.796 1.00 0.00 O ATOM 0 H TYR A 47 -2.505 -5.809 -12.740 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.575 -8.320 -13.502 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.213 -5.885 -13.141 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.439 -7.210 -14.265 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.828 -7.455 -15.908 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.325 -3.929 -14.084 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.909 -6.086 -17.646 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.392 -2.569 -15.804 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.617 -2.516 -17.617 1.00 0.00 H new ATOM 789 N VAL A 48 -0.032 -6.966 -10.896 1.00 0.00 N ATOM 790 CA VAL A 48 0.869 -7.150 -9.780 1.00 0.00 C ATOM 791 C VAL A 48 0.325 -8.155 -8.774 1.00 0.00 C ATOM 792 O VAL A 48 1.051 -9.044 -8.311 1.00 0.00 O ATOM 793 CB VAL A 48 1.142 -5.794 -9.097 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.123 -5.928 -7.944 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.653 -4.804 -10.126 1.00 0.00 C ATOM 0 H VAL A 48 -0.409 -6.021 -10.964 1.00 0.00 H new ATOM 0 HA VAL A 48 1.805 -7.553 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 48 0.206 -5.428 -8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.288 -4.950 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.716 -6.610 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.070 -6.320 -8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.846 -3.846 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.576 -5.181 -10.567 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.905 -4.673 -10.908 1.00 0.00 H new ATOM 805 N TYR A 49 -0.944 -8.047 -8.470 1.00 0.00 N ATOM 806 CA TYR A 49 -1.578 -8.929 -7.510 1.00 0.00 C ATOM 807 C TYR A 49 -1.681 -10.346 -8.045 1.00 0.00 C ATOM 808 O TYR A 49 -1.521 -11.297 -7.306 1.00 0.00 O ATOM 809 CB TYR A 49 -2.951 -8.393 -7.065 1.00 0.00 C ATOM 810 CG TYR A 49 -2.897 -7.177 -6.132 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.891 -6.218 -6.234 1.00 0.00 C ATOM 812 CD2 TYR A 49 -3.856 -7.002 -5.147 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.844 -5.132 -5.393 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.816 -5.911 -4.297 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.806 -4.979 -4.427 1.00 0.00 C ATOM 816 OH TYR A 49 -2.758 -3.896 -3.588 1.00 0.00 O ATOM 0 H TYR A 49 -1.568 -7.350 -8.876 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.941 -8.957 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.526 -8.127 -7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.492 -9.195 -6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.130 -6.331 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.648 -7.729 -5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.054 -4.403 -5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.572 -5.789 -3.535 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.502 -3.942 -2.951 1.00 0.00 H new ATOM 826 N SER A 50 -1.885 -10.471 -9.341 1.00 0.00 N ATOM 827 CA SER A 50 -1.977 -11.776 -9.974 1.00 0.00 C ATOM 828 C SER A 50 -0.586 -12.415 -10.123 1.00 0.00 C ATOM 829 O SER A 50 -0.456 -13.628 -10.291 1.00 0.00 O ATOM 830 CB SER A 50 -2.666 -11.659 -11.325 1.00 0.00 C ATOM 831 OG SER A 50 -3.927 -11.024 -11.189 1.00 0.00 O ATOM 0 H SER A 50 -1.991 -9.683 -9.980 1.00 0.00 H new ATOM 0 HA SER A 50 -2.575 -12.426 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.039 -11.090 -12.011 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.797 -12.650 -11.760 1.00 0.00 H new ATOM 0 HG SER A 50 -3.809 -10.052 -11.221 1.00 0.00 H new ATOM 837 N SER A 51 0.435 -11.596 -10.097 1.00 0.00 N ATOM 838 CA SER A 51 1.782 -12.078 -10.200 1.00 0.00 C ATOM 839 C SER A 51 2.322 -12.477 -8.821 1.00 0.00 C ATOM 840 O SER A 51 2.969 -13.517 -8.668 1.00 0.00 O ATOM 841 CB SER A 51 2.671 -11.011 -10.844 1.00 0.00 C ATOM 842 OG SER A 51 4.002 -11.470 -11.006 1.00 0.00 O ATOM 0 H SER A 51 0.353 -10.584 -10.004 1.00 0.00 H new ATOM 0 HA SER A 51 1.789 -12.966 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.261 -10.732 -11.815 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.668 -10.113 -10.227 1.00 0.00 H new ATOM 0 HG SER A 51 4.543 -10.766 -11.421 1.00 0.00 H new ATOM 848 N HIS A 52 2.020 -11.676 -7.820 1.00 0.00 N ATOM 849 CA HIS A 52 2.537 -11.889 -6.466 1.00 0.00 C ATOM 850 C HIS A 52 1.410 -12.398 -5.569 1.00 0.00 C ATOM 851 O HIS A 52 1.292 -11.998 -4.407 1.00 0.00 O ATOM 852 CB HIS A 52 3.111 -10.572 -5.900 1.00 0.00 C ATOM 853 CG HIS A 52 4.221 -9.951 -6.722 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.549 -10.222 -6.534 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.175 -9.038 -7.720 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.271 -9.504 -7.370 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.460 -8.777 -8.101 1.00 0.00 N ATOM 0 H HIS A 52 1.414 -10.861 -7.911 1.00 0.00 H new ATOM 0 HA HIS A 52 3.337 -12.629 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.300 -9.850 -5.808 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.486 -10.760 -4.894 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.283 -8.596 -8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.349 -9.513 -7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.742 -8.125 -8.833 1.00 0.00 H new ATOM 866 N LEU A 53 0.637 -13.332 -6.118 1.00 0.00 N ATOM 867 CA LEU A 53 -0.561 -13.920 -5.493 1.00 0.00 C ATOM 868 C LEU A 53 -0.388 -14.350 -4.055 1.00 0.00 C ATOM 869 O LEU A 53 -1.272 -14.110 -3.245 1.00 0.00 O ATOM 870 CB LEU A 53 -1.041 -15.131 -6.290 1.00 0.00 C ATOM 871 CG LEU A 53 -1.657 -14.848 -7.645 1.00 0.00 C ATOM 872 CD1 LEU A 53 -1.832 -16.136 -8.418 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.004 -14.165 -7.480 1.00 0.00 C ATOM 0 H LEU A 53 0.828 -13.718 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.292 -13.111 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.194 -15.802 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.774 -15.667 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.988 -14.187 -8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.275 -15.920 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.861 -16.610 -8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.486 -16.808 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.435 -13.968 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.673 -14.813 -6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.872 -13.224 -6.946 1.00 0.00 H new ATOM 885 N ASP A 54 0.735 -14.966 -3.736 1.00 0.00 N ATOM 886 CA ASP A 54 0.913 -15.571 -2.407 1.00 0.00 C ATOM 887 C ASP A 54 0.774 -14.579 -1.259 1.00 0.00 C ATOM 888 O ASP A 54 -0.006 -14.809 -0.364 1.00 0.00 O ATOM 889 CB ASP A 54 2.194 -16.382 -2.278 1.00 0.00 C ATOM 890 CG ASP A 54 2.269 -17.107 -0.942 1.00 0.00 C ATOM 891 OD1 ASP A 54 1.479 -18.065 -0.718 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.142 -16.779 -0.123 1.00 0.00 O ATOM 0 H ASP A 54 1.534 -15.066 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 54 0.081 -16.270 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.249 -17.108 -3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.055 -15.722 -2.383 1.00 0.00 H new ATOM 897 N GLU A 55 1.460 -13.466 -1.310 1.00 0.00 N ATOM 898 CA GLU A 55 1.346 -12.477 -0.229 1.00 0.00 C ATOM 899 C GLU A 55 -0.027 -11.777 -0.297 1.00 0.00 C ATOM 900 O GLU A 55 -0.596 -11.380 0.729 1.00 0.00 O ATOM 901 CB GLU A 55 2.497 -11.474 -0.297 1.00 0.00 C ATOM 902 CG GLU A 55 2.540 -10.421 0.819 1.00 0.00 C ATOM 903 CD GLU A 55 2.763 -10.985 2.214 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.937 -11.133 2.618 1.00 0.00 O ATOM 905 OE2 GLU A 55 1.776 -11.257 2.933 1.00 0.00 O ATOM 0 H GLU A 55 2.096 -13.210 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 55 1.415 -12.987 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.436 -12.027 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.446 -10.957 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.335 -9.709 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.603 -9.865 0.812 1.00 0.00 H new ATOM 912 N ILE A 56 -0.585 -11.691 -1.505 1.00 0.00 N ATOM 913 CA ILE A 56 -1.898 -11.084 -1.704 1.00 0.00 C ATOM 914 C ILE A 56 -2.964 -11.928 -0.993 1.00 0.00 C ATOM 915 O ILE A 56 -3.819 -11.406 -0.299 1.00 0.00 O ATOM 916 CB ILE A 56 -2.276 -10.948 -3.217 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.211 -10.165 -4.011 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.651 -10.303 -3.389 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.871 -8.799 -3.459 1.00 0.00 C ATOM 0 H ILE A 56 -0.147 -12.035 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.856 -10.079 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.315 -11.959 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.299 -10.761 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.559 -10.048 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.885 -10.222 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.405 -10.917 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.645 -9.309 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.114 -8.331 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.767 -8.178 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.487 -8.902 -2.444 1.00 0.00 H new ATOM 931 N ARG A 57 -2.880 -13.235 -1.162 1.00 0.00 N ATOM 932 CA ARG A 57 -3.811 -14.154 -0.516 1.00 0.00 C ATOM 933 C ARG A 57 -3.522 -14.282 0.980 1.00 0.00 C ATOM 934 O ARG A 57 -4.416 -14.636 1.753 1.00 0.00 O ATOM 935 CB ARG A 57 -3.820 -15.549 -1.169 1.00 0.00 C ATOM 936 CG ARG A 57 -2.452 -16.173 -1.276 1.00 0.00 C ATOM 937 CD ARG A 57 -2.481 -17.672 -1.382 1.00 0.00 C ATOM 938 NE ARG A 57 -2.885 -18.291 -0.111 1.00 0.00 N ATOM 939 CZ ARG A 57 -2.122 -19.135 0.612 1.00 0.00 C ATOM 940 NH1 ARG A 57 -0.814 -19.280 0.338 1.00 0.00 N ATOM 941 NH2 ARG A 57 -2.646 -19.774 1.658 1.00 0.00 N ATOM 0 H ARG A 57 -2.175 -13.689 -1.743 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.802 -13.720 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.467 -16.208 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.254 -15.472 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.943 -15.765 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.864 -15.890 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.173 -17.969 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.495 -18.037 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.812 -18.065 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.390 -18.749 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.245 -19.921 0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.623 -19.624 1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.070 -20.413 2.206 1.00 0.00 H new ATOM 955 N LYS A 58 -2.273 -14.025 1.384 1.00 0.00 N ATOM 956 CA LYS A 58 -1.916 -14.055 2.799 1.00 0.00 C ATOM 957 C LYS A 58 -2.643 -12.950 3.524 1.00 0.00 C ATOM 958 O LYS A 58 -3.324 -13.181 4.525 1.00 0.00 O ATOM 959 CB LYS A 58 -0.408 -13.874 3.019 1.00 0.00 C ATOM 960 CG LYS A 58 0.474 -15.004 2.528 1.00 0.00 C ATOM 961 CD LYS A 58 0.291 -16.286 3.310 1.00 0.00 C ATOM 962 CE LYS A 58 1.249 -17.354 2.805 1.00 0.00 C ATOM 963 NZ LYS A 58 1.177 -18.597 3.595 1.00 0.00 N ATOM 0 H LYS A 58 -1.503 -13.797 0.756 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.203 -15.032 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.096 -12.954 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.230 -13.738 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.259 -15.194 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.517 -14.695 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.467 -16.102 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.737 -16.635 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.023 -17.577 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.268 -16.967 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.848 -19.292 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.419 -18.393 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.213 -18.984 3.547 1.00 0.00 H new ATOM 977 N ASN A 59 -2.531 -11.751 3.001 1.00 0.00 N ATOM 978 CA ASN A 59 -3.148 -10.610 3.623 1.00 0.00 C ATOM 979 C ASN A 59 -4.075 -9.904 2.685 1.00 0.00 C ATOM 980 O ASN A 59 -3.848 -8.748 2.300 1.00 0.00 O ATOM 981 CB ASN A 59 -2.119 -9.636 4.199 1.00 0.00 C ATOM 982 CG ASN A 59 -1.316 -10.227 5.332 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.735 -10.166 6.499 1.00 0.00 O ATOM 984 ND2 ASN A 59 -0.158 -10.775 5.029 1.00 0.00 N ATOM 0 H ASN A 59 -2.017 -11.544 2.145 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.736 -10.995 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.441 -9.322 3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.632 -8.742 4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.428 -11.168 5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.153 -10.807 4.058 1.00 0.00 H new ATOM 991 N LYS A 60 -5.141 -10.583 2.311 1.00 0.00 N ATOM 992 CA LYS A 60 -6.119 -9.997 1.409 1.00 0.00 C ATOM 993 C LYS A 60 -6.861 -8.834 2.045 1.00 0.00 C ATOM 994 O LYS A 60 -7.490 -8.040 1.358 1.00 0.00 O ATOM 995 CB LYS A 60 -7.094 -11.011 0.764 1.00 0.00 C ATOM 996 CG LYS A 60 -8.039 -11.804 1.678 1.00 0.00 C ATOM 997 CD LYS A 60 -7.335 -12.846 2.528 1.00 0.00 C ATOM 998 CE LYS A 60 -8.337 -13.787 3.207 1.00 0.00 C ATOM 999 NZ LYS A 60 -9.327 -13.067 4.038 1.00 0.00 N ATOM 0 H LYS A 60 -5.354 -11.534 2.613 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.526 -9.608 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.707 -10.469 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.499 -11.729 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.565 -11.109 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.793 -12.297 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.654 -13.426 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.729 -12.350 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.860 -14.364 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.795 -14.499 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.662 -13.692 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.883 -12.223 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.132 -12.778 3.447 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.794 -8.751 3.353 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.335 -7.638 4.086 1.00 0.00 C ATOM 1015 C GLU A 61 -6.559 -6.392 3.705 1.00 0.00 C ATOM 1016 O GLU A 61 -7.100 -5.449 3.130 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.138 -7.843 5.595 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.859 -9.017 6.243 1.00 0.00 C ATOM 1019 CD GLU A 61 -7.430 -10.367 5.736 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -6.217 -10.568 5.458 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -8.285 -11.235 5.577 1.00 0.00 O ATOM 0 H GLU A 61 -6.358 -9.462 3.940 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.396 -7.548 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.070 -7.958 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.454 -6.932 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.696 -8.978 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.931 -8.905 6.079 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.256 -6.473 3.937 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.324 -5.385 3.724 1.00 0.00 C ATOM 1030 C PHE A 62 -4.323 -4.946 2.272 1.00 0.00 C ATOM 1031 O PHE A 62 -4.481 -3.759 1.970 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.917 -5.841 4.156 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.831 -4.825 3.944 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.650 -3.791 4.839 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.992 -4.910 2.843 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.655 -2.858 4.645 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.005 -3.981 2.642 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.175 -2.953 3.543 1.00 0.00 C ATOM 0 H PHE A 62 -4.811 -7.321 4.288 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.630 -4.528 4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.945 -6.106 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.660 -6.747 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.295 -3.712 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.122 -5.715 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.523 -2.053 5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.652 -4.058 1.780 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.955 -2.222 3.389 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.196 -5.907 1.388 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.114 -5.630 -0.020 1.00 0.00 C ATOM 1050 C TYR A 63 -5.392 -5.082 -0.617 1.00 0.00 C ATOM 1051 O TYR A 63 -5.340 -4.276 -1.532 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.537 -6.807 -0.797 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.066 -6.972 -0.512 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.142 -6.135 -1.119 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.601 -7.925 0.375 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.203 -6.241 -0.850 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.258 -8.044 0.650 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.644 -7.195 0.034 1.00 0.00 C ATOM 1059 OH TYR A 63 1.985 -7.297 0.307 1.00 0.00 O ATOM 0 H TYR A 63 -4.147 -6.898 1.626 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.403 -4.810 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.068 -7.720 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.689 -6.652 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.485 -5.385 -1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.303 -8.587 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.907 -5.578 -1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.090 -8.796 1.343 1.00 0.00 H new ATOM 0 HH TYR A 63 2.108 -7.625 1.222 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.535 -5.457 -0.073 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.791 -4.926 -0.601 1.00 0.00 C ATOM 1071 C ASP A 64 -7.957 -3.479 -0.176 1.00 0.00 C ATOM 1072 O ASP A 64 -8.361 -2.613 -0.974 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.994 -5.743 -0.141 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.284 -5.253 -0.757 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.521 -5.536 -1.946 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -11.074 -4.579 -0.076 1.00 0.00 O ATOM 0 H ASP A 64 -6.627 -6.105 0.709 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.746 -4.989 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.842 -6.790 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.070 -5.695 0.945 1.00 0.00 H new ATOM 1081 N MET A 65 -7.609 -3.221 1.076 1.00 0.00 N ATOM 1082 CA MET A 65 -7.684 -1.900 1.658 1.00 0.00 C ATOM 1083 C MET A 65 -6.746 -0.943 0.961 1.00 0.00 C ATOM 1084 O MET A 65 -7.166 0.137 0.540 1.00 0.00 O ATOM 1085 CB MET A 65 -7.380 -1.977 3.152 1.00 0.00 C ATOM 1086 CG MET A 65 -8.415 -2.783 3.900 1.00 0.00 C ATOM 1087 SD MET A 65 -7.956 -3.212 5.595 1.00 0.00 S ATOM 1088 CE MET A 65 -7.813 -1.598 6.321 1.00 0.00 C ATOM 0 H MET A 65 -7.264 -3.934 1.719 1.00 0.00 H new ATOM 0 HA MET A 65 -8.696 -1.516 1.525 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.397 -2.424 3.299 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.337 -0.969 3.565 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.348 -2.220 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.610 -3.702 3.347 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.534 -1.694 7.370 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.048 -1.028 5.793 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.769 -1.079 6.246 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.484 -1.344 0.785 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.531 -0.460 0.136 1.00 0.00 C ATOM 1100 C ILE A 66 -4.885 -0.223 -1.315 1.00 0.00 C ATOM 1101 O ILE A 66 -4.769 0.884 -1.774 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.031 -0.865 0.254 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.752 -2.231 -0.363 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.580 -0.829 1.701 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.276 -2.528 -0.519 1.00 0.00 C ATOM 0 H ILE A 66 -5.113 -2.249 1.075 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.625 0.465 0.704 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.455 -0.133 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.207 -3.002 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.232 -2.285 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.530 -1.115 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.705 0.179 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.180 -1.525 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.148 -3.515 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.820 -1.777 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.795 -2.506 0.459 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.363 -1.260 -2.018 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.741 -1.136 -3.431 1.00 0.00 C ATOM 1119 C ALA A 67 -6.764 -0.029 -3.630 1.00 0.00 C ATOM 1120 O ALA A 67 -6.675 0.740 -4.581 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.276 -2.453 -3.972 1.00 0.00 C ATOM 0 H ALA A 67 -5.497 -2.194 -1.630 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.842 -0.875 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.548 -2.332 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.508 -3.222 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.155 -2.751 -3.401 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.699 0.067 -2.703 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.730 1.088 -2.737 1.00 0.00 C ATOM 1129 C GLU A 68 -8.094 2.480 -2.500 1.00 0.00 C ATOM 1130 O GLU A 68 -8.288 3.432 -3.288 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.757 0.794 -1.642 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.931 1.745 -1.617 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.865 1.571 -2.789 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.547 1.999 -3.903 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.961 0.993 -2.605 1.00 0.00 O ATOM 0 H GLU A 68 -7.765 -0.562 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.221 1.085 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.130 -0.222 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.257 0.827 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.489 1.599 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.559 2.770 -1.606 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.323 2.565 -1.427 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.627 3.791 -1.012 1.00 0.00 C ATOM 1144 C ILE A 69 -5.696 4.304 -2.116 1.00 0.00 C ATOM 1145 O ILE A 69 -5.694 5.506 -2.425 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.814 3.536 0.292 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.764 3.130 1.417 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.994 4.768 0.696 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.073 2.667 2.669 1.00 0.00 C ATOM 0 H ILE A 69 -7.155 1.775 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.382 4.554 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.110 2.726 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.404 3.978 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.415 2.332 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.440 4.553 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.295 5.017 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.664 5.611 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.818 2.398 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.455 1.798 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.444 3.469 3.055 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.938 3.389 -2.716 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.006 3.706 -3.795 1.00 0.00 C ATOM 1163 C LEU A 70 -4.710 4.413 -4.926 1.00 0.00 C ATOM 1164 O LEU A 70 -4.246 5.432 -5.391 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.304 2.437 -4.313 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.382 1.717 -3.316 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.956 0.367 -3.854 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.159 2.563 -3.012 1.00 0.00 C ATOM 0 H LEU A 70 -4.953 2.400 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.247 4.375 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.068 1.733 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.717 2.705 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.941 1.563 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.304 -0.124 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.837 -0.251 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.419 0.502 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.519 2.036 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.606 2.748 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.472 3.513 -2.580 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.859 3.892 -5.326 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.643 4.486 -6.406 1.00 0.00 C ATOM 1182 C GLN A 71 -7.073 5.905 -6.033 1.00 0.00 C ATOM 1183 O GLN A 71 -6.804 6.885 -6.771 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.882 3.634 -6.693 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.580 2.205 -7.097 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.827 1.366 -7.283 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.886 1.864 -7.650 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.722 0.097 -7.021 1.00 0.00 N ATOM 0 H GLN A 71 -6.274 3.054 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.021 4.525 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.513 3.622 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.458 4.109 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.010 2.209 -8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.949 1.744 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.828 -0.289 -6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.534 -0.513 -7.119 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.678 6.013 -4.862 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.216 7.247 -4.359 1.00 0.00 C ATOM 1199 C ARG A 72 -7.151 8.328 -4.271 1.00 0.00 C ATOM 1200 O ARG A 72 -7.270 9.401 -4.877 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.827 6.992 -2.983 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.488 8.196 -2.370 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.252 7.827 -1.133 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.053 8.964 -0.679 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.224 9.345 0.590 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.801 8.572 1.595 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -11.871 10.485 0.849 1.00 0.00 N ATOM 0 H ARG A 72 -7.807 5.224 -4.228 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.981 7.603 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.562 6.191 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.045 6.639 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.733 8.943 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.163 8.652 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.900 6.974 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.561 7.522 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.523 9.516 -1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.343 7.683 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.936 8.872 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.228 11.054 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.008 10.786 1.814 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.093 8.026 -3.588 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.088 9.006 -3.328 1.00 0.00 C ATOM 1223 C TYR A 73 -4.099 9.198 -4.461 1.00 0.00 C ATOM 1224 O TYR A 73 -3.403 10.206 -4.486 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.402 8.765 -1.997 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.294 9.018 -0.814 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.120 8.030 -0.316 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.304 10.253 -0.192 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -6.932 8.260 0.764 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.108 10.491 0.894 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.921 9.495 1.370 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.703 9.723 2.475 1.00 0.00 O ATOM 0 H TYR A 73 -5.902 7.103 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.618 9.956 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.046 7.736 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.525 9.409 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.126 7.058 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.669 11.042 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.576 7.477 1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.100 11.459 1.372 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.184 9.541 3.286 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.025 8.265 -5.411 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.139 8.468 -6.559 1.00 0.00 C ATOM 1244 C TYR A 74 -3.634 9.672 -7.336 1.00 0.00 C ATOM 1245 O TYR A 74 -2.855 10.486 -7.816 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.043 7.201 -7.486 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.623 7.368 -8.898 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.869 7.933 -9.930 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.927 7.000 -9.176 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -3.408 8.117 -11.187 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -5.470 7.188 -10.423 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.712 7.743 -11.424 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.267 7.948 -12.660 1.00 0.00 O ATOM 0 H TYR A 74 -4.548 7.389 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.128 8.642 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.995 6.916 -7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.558 6.374 -6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.848 8.230 -9.741 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.530 6.556 -8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.813 8.550 -11.977 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.493 6.899 -10.616 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.580 7.836 -13.350 1.00 0.00 H new ATOM 1263 N LYS A 75 -4.938 9.781 -7.434 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.537 10.860 -8.153 1.00 0.00 C ATOM 1265 C LYS A 75 -5.588 12.099 -7.296 1.00 0.00 C ATOM 1266 O LYS A 75 -5.381 13.213 -7.772 1.00 0.00 O ATOM 1267 CB LYS A 75 -6.906 10.457 -8.560 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.575 11.377 -9.572 1.00 0.00 C ATOM 1269 CD LYS A 75 -8.863 10.774 -10.108 1.00 0.00 C ATOM 1270 CE LYS A 75 -8.615 9.467 -10.876 1.00 0.00 C ATOM 1271 NZ LYS A 75 -7.763 9.641 -12.082 1.00 0.00 N ATOM 0 H LYS A 75 -5.601 9.126 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.942 11.087 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.863 9.452 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.533 10.405 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.789 12.338 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.891 11.569 -10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.545 10.583 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.353 11.492 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.143 8.746 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.574 9.043 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.287 9.330 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.506 10.644 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.899 9.071 -11.982 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.837 11.890 -6.033 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.991 12.980 -5.091 1.00 0.00 C ATOM 1287 C LYS A 76 -4.637 13.673 -4.777 1.00 0.00 C ATOM 1288 O LYS A 76 -4.533 14.895 -4.885 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.710 12.468 -3.819 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.444 13.536 -2.996 1.00 0.00 C ATOM 1291 CD LYS A 76 -6.523 14.407 -2.159 1.00 0.00 C ATOM 1292 CE LYS A 76 -7.293 15.542 -1.496 1.00 0.00 C ATOM 1293 NZ LYS A 76 -8.416 15.062 -0.657 1.00 0.00 N ATOM 0 H LYS A 76 -5.940 10.963 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.614 13.752 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.429 11.704 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.974 11.983 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.015 14.172 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.161 13.045 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.037 13.799 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.734 14.818 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.610 16.127 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.680 16.210 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.883 15.874 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.102 14.556 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.052 14.419 0.075 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.604 12.915 -4.423 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.310 13.535 -4.090 1.00 0.00 C ATOM 1309 C ILE A 77 -1.176 13.090 -5.022 1.00 0.00 C ATOM 1310 O ILE A 77 -0.246 13.846 -5.275 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.885 13.302 -2.602 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.801 11.797 -2.275 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.835 14.019 -1.652 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.327 11.477 -0.869 1.00 0.00 C ATOM 0 H ILE A 77 -3.626 11.897 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.474 14.603 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.889 13.724 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.785 11.352 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.127 11.322 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.521 13.844 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.818 15.089 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.847 13.638 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.300 10.396 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.328 11.887 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.012 11.918 -0.145 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.257 11.888 -5.537 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.223 11.393 -6.429 1.00 0.00 C ATOM 1328 C GLY A 78 0.250 10.038 -5.989 1.00 0.00 C ATOM 1329 O GLY A 78 0.490 9.839 -4.795 1.00 0.00 O ATOM 0 H GLY A 78 -2.020 11.234 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.609 11.336 -7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.615 12.089 -6.445 1.00 0.00 H new ATOM 1333 N ILE A 79 0.415 9.112 -6.933 1.00 0.00 N ATOM 1334 CA ILE A 79 0.761 7.722 -6.614 1.00 0.00 C ATOM 1335 C ILE A 79 2.097 7.620 -5.863 1.00 0.00 C ATOM 1336 O ILE A 79 2.209 6.847 -4.911 1.00 0.00 O ATOM 1337 CB ILE A 79 0.737 6.770 -7.879 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.003 5.305 -7.491 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.716 7.214 -8.955 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.051 4.699 -6.581 1.00 0.00 C ATOM 0 H ILE A 79 0.315 9.298 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.024 7.368 -5.945 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.268 6.841 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.069 4.707 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.973 5.242 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.662 6.529 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.461 8.221 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.728 7.211 -8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.213 3.666 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.103 5.270 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.020 4.726 -7.079 1.00 0.00 H new ATOM 1352 N GLU A 80 3.074 8.444 -6.252 1.00 0.00 N ATOM 1353 CA GLU A 80 4.389 8.450 -5.613 1.00 0.00 C ATOM 1354 C GLU A 80 4.247 8.708 -4.125 1.00 0.00 C ATOM 1355 O GLU A 80 4.845 8.016 -3.294 1.00 0.00 O ATOM 1356 CB GLU A 80 5.303 9.538 -6.181 1.00 0.00 C ATOM 1357 CG GLU A 80 5.461 9.573 -7.689 1.00 0.00 C ATOM 1358 CD GLU A 80 4.404 10.413 -8.349 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.267 9.948 -8.503 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.695 11.580 -8.699 1.00 0.00 O ATOM 0 H GLU A 80 2.976 9.118 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 80 4.830 7.472 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.923 10.506 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.291 9.418 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.446 9.967 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.414 8.557 -8.082 1.00 0.00 H new ATOM 1367 N ASN A 81 3.434 9.697 -3.818 1.00 0.00 N ATOM 1368 CA ASN A 81 3.160 10.122 -2.451 1.00 0.00 C ATOM 1369 C ASN A 81 2.502 9.018 -1.665 1.00 0.00 C ATOM 1370 O ASN A 81 2.913 8.713 -0.547 1.00 0.00 O ATOM 1371 CB ASN A 81 2.258 11.373 -2.432 1.00 0.00 C ATOM 1372 CG ASN A 81 2.938 12.609 -2.976 1.00 0.00 C ATOM 1373 OD1 ASN A 81 4.150 12.773 -2.853 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.180 13.478 -3.598 1.00 0.00 N ATOM 0 H ASN A 81 2.933 10.241 -4.520 1.00 0.00 H new ATOM 0 HA ASN A 81 4.116 10.367 -1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.360 11.174 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.936 11.565 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.593 14.321 -3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.177 13.312 -3.683 1.00 0.00 H new ATOM 1381 N VAL A 82 1.509 8.389 -2.273 1.00 0.00 N ATOM 1382 CA VAL A 82 0.733 7.348 -1.611 1.00 0.00 C ATOM 1383 C VAL A 82 1.611 6.168 -1.269 1.00 0.00 C ATOM 1384 O VAL A 82 1.599 5.701 -0.140 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.448 6.851 -2.468 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.360 5.945 -1.654 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.223 8.004 -3.022 1.00 0.00 C ATOM 0 H VAL A 82 1.218 8.582 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 82 0.331 7.799 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.042 6.276 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.187 5.606 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.795 5.083 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.753 6.497 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.052 7.630 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.613 8.608 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.570 8.616 -3.644 1.00 0.00 H new ATOM 1397 N ASN A 83 2.400 5.723 -2.240 1.00 0.00 N ATOM 1398 CA ASN A 83 3.299 4.575 -2.060 1.00 0.00 C ATOM 1399 C ASN A 83 4.219 4.789 -0.870 1.00 0.00 C ATOM 1400 O ASN A 83 4.359 3.920 0.000 1.00 0.00 O ATOM 1401 CB ASN A 83 4.135 4.297 -3.330 1.00 0.00 C ATOM 1402 CG ASN A 83 3.304 3.828 -4.518 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.258 3.218 -4.356 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.774 4.079 -5.719 1.00 0.00 N ATOM 0 H ASN A 83 2.439 6.140 -3.170 1.00 0.00 H new ATOM 0 HA ASN A 83 2.672 3.704 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.671 5.205 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.886 3.541 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.263 3.763 -6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.650 4.590 -5.827 1.00 0.00 H new ATOM 1411 N GLN A 84 4.779 5.978 -0.797 1.00 0.00 N ATOM 1412 CA GLN A 84 5.691 6.347 0.269 1.00 0.00 C ATOM 1413 C GLN A 84 4.917 6.356 1.609 1.00 0.00 C ATOM 1414 O GLN A 84 5.378 5.808 2.613 1.00 0.00 O ATOM 1415 CB GLN A 84 6.278 7.736 -0.039 1.00 0.00 C ATOM 1416 CG GLN A 84 7.678 8.037 0.535 1.00 0.00 C ATOM 1417 CD GLN A 84 7.776 8.023 2.049 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.563 9.046 2.708 1.00 0.00 O ATOM 1419 NE2 GLN A 84 8.139 6.889 2.606 1.00 0.00 N ATOM 0 H GLN A 84 4.615 6.720 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 84 6.509 5.631 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.321 7.855 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.586 8.489 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.381 7.306 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.997 9.016 0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.305 6.066 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.254 6.832 3.618 1.00 0.00 H new ATOM 1428 N LEU A 85 3.725 6.934 1.601 1.00 0.00 N ATOM 1429 CA LEU A 85 2.893 7.013 2.803 1.00 0.00 C ATOM 1430 C LEU A 85 2.448 5.631 3.286 1.00 0.00 C ATOM 1431 O LEU A 85 2.379 5.391 4.496 1.00 0.00 O ATOM 1432 CB LEU A 85 1.685 7.937 2.599 1.00 0.00 C ATOM 1433 CG LEU A 85 2.004 9.414 2.318 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.727 10.207 2.107 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.829 10.025 3.447 1.00 0.00 C ATOM 0 H LEU A 85 3.306 7.359 0.773 1.00 0.00 H new ATOM 0 HA LEU A 85 3.517 7.447 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.093 7.550 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.059 7.885 3.489 1.00 0.00 H new ATOM 0 HG LEU A 85 2.597 9.458 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.975 11.250 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.180 9.797 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.108 10.144 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.039 11.070 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.271 9.962 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.768 9.480 3.548 1.00 0.00 H new ATOM 1447 N ILE A 86 2.172 4.724 2.361 1.00 0.00 N ATOM 1448 CA ILE A 86 1.806 3.352 2.712 1.00 0.00 C ATOM 1449 C ILE A 86 2.978 2.690 3.428 1.00 0.00 C ATOM 1450 O ILE A 86 2.807 2.078 4.497 1.00 0.00 O ATOM 1451 CB ILE A 86 1.380 2.507 1.465 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.120 3.097 0.795 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.155 1.032 1.828 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.107 3.174 1.693 1.00 0.00 C ATOM 0 H ILE A 86 2.193 4.910 1.358 1.00 0.00 H new ATOM 0 HA ILE A 86 0.938 3.394 3.371 1.00 0.00 H new ATOM 0 HB ILE A 86 2.202 2.553 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.353 4.099 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.125 2.494 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.861 0.479 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.077 0.611 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.367 0.958 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.940 3.601 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.373 2.173 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.888 3.803 2.556 1.00 0.00 H new ATOM 1466 N LEU A 87 4.177 2.887 2.881 1.00 0.00 N ATOM 1467 CA LEU A 87 5.397 2.358 3.484 1.00 0.00 C ATOM 1468 C LEU A 87 5.596 2.942 4.863 1.00 0.00 C ATOM 1469 O LEU A 87 5.921 2.238 5.797 1.00 0.00 O ATOM 1470 CB LEU A 87 6.613 2.647 2.605 1.00 0.00 C ATOM 1471 CG LEU A 87 6.615 1.970 1.241 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.838 2.370 0.449 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.570 0.466 1.406 1.00 0.00 C ATOM 0 H LEU A 87 4.328 3.411 2.019 1.00 0.00 H new ATOM 0 HA LEU A 87 5.291 1.277 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.683 3.724 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.510 2.341 3.144 1.00 0.00 H new ATOM 0 HG LEU A 87 5.729 2.293 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.820 1.876 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.842 3.451 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.736 2.073 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.572 -0.008 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.442 0.136 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.663 0.186 1.943 1.00 0.00 H new ATOM 1485 N THR A 88 5.336 4.220 4.979 1.00 0.00 N ATOM 1486 CA THR A 88 5.447 4.950 6.229 1.00 0.00 C ATOM 1487 C THR A 88 4.496 4.365 7.308 1.00 0.00 C ATOM 1488 O THR A 88 4.865 4.229 8.485 1.00 0.00 O ATOM 1489 CB THR A 88 5.098 6.434 5.981 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.961 6.966 4.962 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.253 7.261 7.240 1.00 0.00 C ATOM 0 H THR A 88 5.035 4.799 4.195 1.00 0.00 H new ATOM 0 HA THR A 88 6.470 4.859 6.594 1.00 0.00 H new ATOM 0 HB THR A 88 4.056 6.484 5.664 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.573 6.790 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.999 8.299 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.588 6.876 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.284 7.204 7.588 1.00 0.00 H new ATOM 1499 N THR A 89 3.320 3.982 6.882 1.00 0.00 N ATOM 1500 CA THR A 89 2.291 3.492 7.762 1.00 0.00 C ATOM 1501 C THR A 89 2.612 2.089 8.312 1.00 0.00 C ATOM 1502 O THR A 89 2.396 1.817 9.495 1.00 0.00 O ATOM 1503 CB THR A 89 0.938 3.525 7.026 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.727 4.867 6.561 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.207 3.139 7.943 1.00 0.00 C ATOM 0 H THR A 89 3.046 4.002 5.900 1.00 0.00 H new ATOM 0 HA THR A 89 2.238 4.145 8.633 1.00 0.00 H new ATOM 0 HB THR A 89 0.964 2.810 6.203 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.260 5.021 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.145 3.174 7.389 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.046 2.129 8.321 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.254 3.836 8.780 1.00 0.00 H new ATOM 1513 N ILE A 90 3.162 1.227 7.476 1.00 0.00 N ATOM 1514 CA ILE A 90 3.502 -0.123 7.917 1.00 0.00 C ATOM 1515 C ILE A 90 4.862 -0.146 8.606 1.00 0.00 C ATOM 1516 O ILE A 90 5.169 -1.067 9.374 1.00 0.00 O ATOM 1517 CB ILE A 90 3.490 -1.146 6.751 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.518 -0.762 5.669 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.090 -1.236 6.163 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.649 -1.764 4.543 1.00 0.00 C ATOM 0 H ILE A 90 3.382 1.429 6.501 1.00 0.00 H new ATOM 0 HA ILE A 90 2.731 -0.419 8.629 1.00 0.00 H new ATOM 0 HB ILE A 90 3.773 -2.124 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.239 0.204 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.492 -0.635 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.085 -1.955 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.391 -1.559 6.935 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.789 -0.258 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.393 -1.413 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.960 -2.727 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.688 -1.875 4.041 1.00 0.00 H new ATOM 1532 N LYS A 91 5.665 0.863 8.322 1.00 0.00 N ATOM 1533 CA LYS A 91 6.998 0.986 8.874 1.00 0.00 C ATOM 1534 C LYS A 91 6.892 1.201 10.378 1.00 0.00 C ATOM 1535 O LYS A 91 7.568 0.518 11.159 1.00 0.00 O ATOM 1536 CB LYS A 91 7.703 2.191 8.247 1.00 0.00 C ATOM 1537 CG LYS A 91 9.215 2.180 8.337 1.00 0.00 C ATOM 1538 CD LYS A 91 9.816 1.182 7.364 1.00 0.00 C ATOM 1539 CE LYS A 91 11.339 1.228 7.384 1.00 0.00 C ATOM 1540 NZ LYS A 91 11.868 2.585 7.086 1.00 0.00 N ATOM 0 H LYS A 91 5.406 1.626 7.696 1.00 0.00 H new ATOM 0 HA LYS A 91 7.567 0.080 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.419 2.250 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.334 3.097 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.602 3.177 8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.520 1.930 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.478 0.177 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.458 1.394 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.697 0.908 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.731 0.520 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.595 2.519 6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.093 3.195 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.287 2.991 7.947 1.00 0.00 H new ATOM 1554 N LEU A 92 6.010 2.154 10.759 1.00 0.00 N ATOM 1555 CA LEU A 92 5.759 2.546 12.160 1.00 0.00 C ATOM 1556 C LEU A 92 7.117 2.850 12.811 1.00 0.00 C ATOM 1557 O LEU A 92 7.509 2.273 13.834 1.00 0.00 O ATOM 1558 CB LEU A 92 4.989 1.413 12.894 1.00 0.00 C ATOM 1559 CG LEU A 92 4.033 1.793 14.071 1.00 0.00 C ATOM 1560 CD1 LEU A 92 4.741 2.453 15.239 1.00 0.00 C ATOM 1561 CD2 LEU A 92 2.886 2.660 13.581 1.00 0.00 C ATOM 0 H LEU A 92 5.446 2.678 10.090 1.00 0.00 H new ATOM 0 HA LEU A 92 5.134 3.437 12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.399 0.878 12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.726 0.710 13.281 1.00 0.00 H new ATOM 0 HG LEU A 92 3.634 0.851 14.448 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.016 2.689 16.018 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.495 1.774 15.638 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.222 3.371 14.901 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.236 2.911 14.419 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.283 3.576 13.144 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.315 2.117 12.828 1.00 0.00 H new ATOM 1573 N GLU A 93 7.824 3.729 12.177 1.00 0.00 N ATOM 1574 CA GLU A 93 9.161 4.071 12.535 1.00 0.00 C ATOM 1575 C GLU A 93 9.214 5.474 13.095 1.00 0.00 C ATOM 1576 O GLU A 93 8.761 6.423 12.458 1.00 0.00 O ATOM 1577 CB GLU A 93 10.021 3.966 11.284 1.00 0.00 C ATOM 1578 CG GLU A 93 11.470 4.335 11.448 1.00 0.00 C ATOM 1579 CD GLU A 93 12.226 4.175 10.157 1.00 0.00 C ATOM 1580 OE1 GLU A 93 12.677 3.055 9.857 1.00 0.00 O ATOM 1581 OE2 GLU A 93 12.355 5.156 9.408 1.00 0.00 O ATOM 0 H GLU A 93 7.474 4.245 11.370 1.00 0.00 H new ATOM 0 HA GLU A 93 9.531 3.393 13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.967 2.942 10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.588 4.606 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.548 5.366 11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.922 3.708 12.216 1.00 0.00 H new ATOM 1588 N HIS A 94 9.724 5.598 14.283 1.00 0.00 N ATOM 1589 CA HIS A 94 9.899 6.899 14.882 1.00 0.00 C ATOM 1590 C HIS A 94 11.390 7.191 15.008 1.00 0.00 C ATOM 1591 O HIS A 94 11.803 8.334 15.150 1.00 0.00 O ATOM 1592 CB HIS A 94 9.210 6.951 16.247 1.00 0.00 C ATOM 1593 CG HIS A 94 9.151 8.313 16.857 1.00 0.00 C ATOM 1594 ND1 HIS A 94 9.659 8.604 18.095 1.00 0.00 N ATOM 1595 CD2 HIS A 94 8.589 9.455 16.408 1.00 0.00 C ATOM 1596 CE1 HIS A 94 9.413 9.859 18.384 1.00 0.00 C ATOM 1597 NE2 HIS A 94 8.768 10.396 17.379 1.00 0.00 N ATOM 0 H HIS A 94 10.029 4.816 14.863 1.00 0.00 H new ATOM 0 HA HIS A 94 9.441 7.661 14.251 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.195 6.569 16.143 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.734 6.283 16.930 1.00 0.00 H new ATOM 0 HD2 HIS A 94 8.092 9.597 15.460 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.695 10.364 19.296 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.450 11.364 17.330 1.00 0.00 H new ATOM 1606 N HIS A 95 12.181 6.140 14.941 1.00 0.00 N ATOM 1607 CA HIS A 95 13.616 6.253 15.018 1.00 0.00 C ATOM 1608 C HIS A 95 14.186 5.609 13.759 1.00 0.00 C ATOM 1609 O HIS A 95 14.551 6.301 12.831 1.00 0.00 O ATOM 1610 CB HIS A 95 14.152 5.563 16.296 1.00 0.00 C ATOM 1611 CG HIS A 95 15.587 5.873 16.628 1.00 0.00 C ATOM 1612 ND1 HIS A 95 16.605 4.953 16.540 1.00 0.00 N ATOM 1613 CD2 HIS A 95 16.157 7.005 17.107 1.00 0.00 C ATOM 1614 CE1 HIS A 95 17.725 5.500 16.947 1.00 0.00 C ATOM 1615 NE2 HIS A 95 17.481 6.739 17.294 1.00 0.00 N ATOM 0 H HIS A 95 11.843 5.184 14.831 1.00 0.00 H new ATOM 0 HA HIS A 95 13.920 7.298 15.077 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.527 5.857 17.139 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.046 4.484 16.181 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.657 7.942 17.304 1.00 0.00 H new ATOM 0 HE1 HIS A 95 18.687 5.011 16.989 1.00 0.00 H new ATOM 0 HE2 HIS A 95 18.172 7.400 17.648 1.00 0.00 H new ATOM 1624 N HIS A 96 14.170 4.278 13.726 1.00 0.00 N ATOM 1625 CA HIS A 96 14.590 3.448 12.586 1.00 0.00 C ATOM 1626 C HIS A 96 14.131 2.035 12.834 1.00 0.00 C ATOM 1627 O HIS A 96 14.337 1.494 13.923 1.00 0.00 O ATOM 1628 CB HIS A 96 16.113 3.482 12.290 1.00 0.00 C ATOM 1629 CG HIS A 96 16.506 4.407 11.156 1.00 0.00 C ATOM 1630 ND1 HIS A 96 16.542 4.011 9.839 1.00 0.00 N ATOM 1631 CD2 HIS A 96 16.878 5.706 11.149 1.00 0.00 C ATOM 1632 CE1 HIS A 96 16.910 5.020 9.089 1.00 0.00 C ATOM 1633 NE2 HIS A 96 17.121 6.055 9.854 1.00 0.00 N ATOM 0 H HIS A 96 13.853 3.722 14.520 1.00 0.00 H new ATOM 0 HA HIS A 96 14.124 3.867 11.694 1.00 0.00 H new ATOM 0 HB2 HIS A 96 16.640 3.789 13.193 1.00 0.00 H new ATOM 0 HB3 HIS A 96 16.448 2.472 12.053 1.00 0.00 H new ATOM 0 HD1 HIS A 96 16.317 3.076 9.499 1.00 0.00 H new ATOM 0 HD2 HIS A 96 16.967 6.350 12.012 1.00 0.00 H new ATOM 0 HE1 HIS A 96 17.020 4.998 8.015 1.00 0.00 H new ATOM 1642 N HIS A 97 13.468 1.450 11.876 1.00 0.00 N ATOM 1643 CA HIS A 97 12.949 0.120 12.050 1.00 0.00 C ATOM 1644 C HIS A 97 13.931 -0.926 11.525 1.00 0.00 C ATOM 1645 O HIS A 97 13.802 -1.403 10.400 1.00 0.00 O ATOM 1646 CB HIS A 97 11.545 -0.032 11.410 1.00 0.00 C ATOM 1647 CG HIS A 97 10.859 -1.333 11.733 1.00 0.00 C ATOM 1648 ND1 HIS A 97 10.209 -2.113 10.803 1.00 0.00 N ATOM 1649 CD2 HIS A 97 10.704 -1.963 12.910 1.00 0.00 C ATOM 1650 CE1 HIS A 97 9.687 -3.164 11.400 1.00 0.00 C ATOM 1651 NE2 HIS A 97 9.977 -3.094 12.683 1.00 0.00 N ATOM 0 H HIS A 97 13.274 1.871 10.968 1.00 0.00 H new ATOM 0 HA HIS A 97 12.829 -0.053 13.119 1.00 0.00 H new ATOM 0 HB2 HIS A 97 10.914 0.792 11.744 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.639 0.058 10.328 1.00 0.00 H new ATOM 0 HD2 HIS A 97 11.087 -1.633 13.864 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.119 -3.948 10.921 1.00 0.00 H new ATOM 0 HE2 HIS A 97 9.702 -3.775 13.391 1.00 0.00 H new ATOM 1660 N HIS A 98 14.983 -1.160 12.317 1.00 0.00 N ATOM 1661 CA HIS A 98 16.020 -2.212 12.100 1.00 0.00 C ATOM 1662 C HIS A 98 16.975 -1.889 10.922 1.00 0.00 C ATOM 1663 O HIS A 98 18.013 -2.535 10.741 1.00 0.00 O ATOM 1664 CB HIS A 98 15.375 -3.608 11.953 1.00 0.00 C ATOM 1665 CG HIS A 98 16.329 -4.761 12.088 1.00 0.00 C ATOM 1666 ND1 HIS A 98 16.747 -5.241 13.309 1.00 0.00 N ATOM 1667 CD2 HIS A 98 16.935 -5.538 11.161 1.00 0.00 C ATOM 1668 CE1 HIS A 98 17.558 -6.253 13.127 1.00 0.00 C ATOM 1669 NE2 HIS A 98 17.689 -6.452 11.839 1.00 0.00 N ATOM 0 H HIS A 98 15.155 -0.611 13.159 1.00 0.00 H new ATOM 0 HA HIS A 98 16.645 -2.224 12.993 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.593 -3.712 12.705 1.00 0.00 H new ATOM 0 HB3 HIS A 98 14.890 -3.668 10.978 1.00 0.00 H new ATOM 0 HD2 HIS A 98 16.840 -5.452 10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 98 18.037 -6.826 13.907 1.00 0.00 H new ATOM 0 HE2 HIS A 98 18.264 -7.177 11.410 1.00 0.00 H new ATOM 1678 N HIS A 99 16.610 -0.924 10.140 1.00 0.00 N ATOM 1679 CA HIS A 99 17.407 -0.436 9.050 1.00 0.00 C ATOM 1680 C HIS A 99 17.368 1.051 9.072 1.00 0.00 C ATOM 1681 O HIS A 99 18.226 1.652 9.689 1.00 0.00 O ATOM 1682 CB HIS A 99 16.923 -0.950 7.689 1.00 0.00 C ATOM 1683 CG HIS A 99 17.659 -2.142 7.176 1.00 0.00 C ATOM 1684 ND1 HIS A 99 17.038 -3.252 6.672 1.00 0.00 N ATOM 1685 CD2 HIS A 99 18.982 -2.355 7.012 1.00 0.00 C ATOM 1686 CE1 HIS A 99 17.939 -4.091 6.223 1.00 0.00 C ATOM 1687 NE2 HIS A 99 19.126 -3.574 6.416 1.00 0.00 N ATOM 1688 OXT HIS A 99 16.432 1.637 8.512 1.00 0.00 O ATOM 0 H HIS A 99 15.721 -0.435 10.242 1.00 0.00 H new ATOM 0 HA HIS A 99 18.425 -0.804 9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.864 -1.198 7.765 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.010 -0.145 6.960 1.00 0.00 H new ATOM 0 HD2 HIS A 99 19.779 -1.685 7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 99 17.736 -5.050 5.769 1.00 0.00 H new ATOM 0 HE2 HIS A 99 20.012 -4.010 6.163 1.00 0.00 H new TER 1697 HIS A 99