USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 50 GLN : amide:sc= -1.3 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 116 HIS : no HD1:sc= -0.193 X(o=-1.5,f=-1.3) USER MOD Set 2.1: A 86 GLN : amide:sc= -1.8 K(o=-0.85,f=-4.9) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -116:sc= 0.953 (180deg=-0.00825) USER MOD Set 3.1: A 38 SER OG : rot 34:sc= 0.194 USER MOD Set 3.2: A 114 HIS :FLIP no HE2:sc= -3.99! F(o=-4.4,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0158 (180deg=-0.0901) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-0.77) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.315) USER MOD Single : A 19 GLN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.519 F(o=-1.4!,f=-0.52) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 150:sc= 0.917 USER MOD Single : A 39 TYR OH : rot -30:sc= -1.03 USER MOD Single : A 49 GLN :FLIP amide:sc=-0.000911 F(o=-0.65,f=-0.00091) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.02) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00118 (180deg=-0.073) USER MOD Single : A 59 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.084) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 71 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -1.85 K(o=-1.9,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 78 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.89) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 131:sc= -0.252 (180deg=-0.857) USER MOD Single : A 85 ASN : amide:sc= -2.66 K(o=-2.7,f=-6.5!) USER MOD Single : A 87 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 91 SER OG : rot 180:sc= -0.621 USER MOD Single : A 92 MET CE :methyl 141:sc= -0.291 (180deg=-2.6!) USER MOD Single : A 96 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.25) USER MOD Single : A 98 LYS NZ :NH3+ -111:sc= 1.29 (180deg=-0.309) USER MOD Single : A 105 SER OG : rot -135:sc= 0.0702 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 112 HIS : no HE2:sc= 0.635 K(o=0.64,f=-2!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.205 K(o=-0.21,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.996 -27.193 -5.861 1.00 23.23 N ATOM 2 CA MET A 1 12.893 -28.096 -5.431 1.00 24.34 C ATOM 3 C MET A 1 11.672 -27.961 -6.349 1.00 62.04 C ATOM 4 O MET A 1 11.502 -26.943 -7.021 1.00 51.45 O ATOM 5 CB MET A 1 12.502 -27.812 -3.971 1.00 75.31 C ATOM 6 CG MET A 1 12.054 -26.380 -3.704 1.00 75.13 C ATOM 7 SD MET A 1 11.656 -26.102 -1.967 1.00 41.33 S ATOM 8 CE MET A 1 11.189 -24.372 -1.986 1.00 41.43 C ATOM 0 H1 MET A 1 14.535 -26.882 -5.028 1.00 23.23 H new ATOM 0 H2 MET A 1 14.628 -27.702 -6.512 1.00 23.23 H new ATOM 0 H3 MET A 1 13.597 -26.363 -6.344 1.00 23.23 H new ATOM 0 HA MET A 1 13.254 -29.122 -5.503 1.00 24.34 H new ATOM 0 HB2 MET A 1 11.698 -28.490 -3.685 1.00 75.31 H new ATOM 0 HB3 MET A 1 13.354 -28.039 -3.329 1.00 75.31 H new ATOM 0 HG2 MET A 1 12.842 -25.692 -4.009 1.00 75.13 H new ATOM 0 HG3 MET A 1 11.180 -26.155 -4.316 1.00 75.13 H new ATOM 0 HE1 MET A 1 10.917 -24.058 -0.979 1.00 41.43 H new ATOM 0 HE2 MET A 1 12.028 -23.772 -2.339 1.00 41.43 H new ATOM 0 HE3 MET A 1 10.338 -24.232 -2.652 1.00 41.43 H new ATOM 20 N ALA A 2 10.829 -28.994 -6.372 1.00 4.20 N ATOM 21 CA ALA A 2 9.639 -29.019 -7.229 1.00 14.33 C ATOM 22 C ALA A 2 8.671 -27.862 -6.926 1.00 43.32 C ATOM 23 O ALA A 2 8.158 -27.737 -5.810 1.00 14.45 O ATOM 24 CB ALA A 2 8.922 -30.356 -7.084 1.00 62.14 C ATOM 0 H ALA A 2 10.949 -29.832 -5.803 1.00 4.20 H new ATOM 0 HA ALA A 2 9.977 -28.892 -8.257 1.00 14.33 H new ATOM 0 HB1 ALA A 2 8.039 -30.367 -7.723 1.00 62.14 H new ATOM 0 HB2 ALA A 2 9.593 -31.163 -7.378 1.00 62.14 H new ATOM 0 HB3 ALA A 2 8.620 -30.496 -6.046 1.00 62.14 H new ATOM 30 N ALA A 3 8.429 -27.021 -7.928 1.00 3.34 N ATOM 31 CA ALA A 3 7.473 -25.913 -7.814 1.00 74.13 C ATOM 32 C ALA A 3 6.105 -26.294 -8.407 1.00 41.23 C ATOM 33 O ALA A 3 5.437 -25.472 -9.039 1.00 61.52 O ATOM 34 CB ALA A 3 8.036 -24.674 -8.507 1.00 43.44 C ATOM 0 H ALA A 3 8.885 -27.084 -8.838 1.00 3.34 H new ATOM 0 HA ALA A 3 7.322 -25.693 -6.757 1.00 74.13 H new ATOM 0 HB1 ALA A 3 7.324 -23.853 -8.420 1.00 43.44 H new ATOM 0 HB2 ALA A 3 8.977 -24.389 -8.036 1.00 43.44 H new ATOM 0 HB3 ALA A 3 8.210 -24.894 -9.560 1.00 43.44 H new ATOM 40 N SER A 4 5.693 -27.547 -8.186 1.00 43.42 N ATOM 41 CA SER A 4 4.411 -28.065 -8.697 1.00 3.20 C ATOM 42 C SER A 4 3.246 -27.124 -8.366 1.00 31.14 C ATOM 43 O SER A 4 2.521 -26.677 -9.254 1.00 74.20 O ATOM 44 CB SER A 4 4.120 -29.451 -8.103 1.00 63.20 C ATOM 45 OG SER A 4 5.180 -30.361 -8.348 1.00 12.44 O ATOM 0 H SER A 4 6.231 -28.229 -7.652 1.00 43.42 H new ATOM 0 HA SER A 4 4.502 -28.136 -9.781 1.00 3.20 H new ATOM 0 HB2 SER A 4 3.960 -29.360 -7.029 1.00 63.20 H new ATOM 0 HB3 SER A 4 3.197 -29.844 -8.531 1.00 63.20 H new ATOM 0 HG SER A 4 4.961 -31.232 -7.955 1.00 12.44 H new ATOM 51 N THR A 5 3.072 -26.831 -7.081 1.00 31.31 N ATOM 52 CA THR A 5 2.025 -25.903 -6.636 1.00 52.51 C ATOM 53 C THR A 5 2.515 -24.453 -6.694 1.00 40.32 C ATOM 54 O THR A 5 3.382 -24.048 -5.915 1.00 31.41 O ATOM 55 CB THR A 5 1.555 -26.225 -5.197 1.00 60.04 C ATOM 56 OG1 THR A 5 1.075 -27.577 -5.136 1.00 53.14 O ATOM 57 CG2 THR A 5 0.446 -25.275 -4.741 1.00 15.43 C ATOM 0 H THR A 5 3.639 -27.219 -6.327 1.00 31.31 H new ATOM 0 HA THR A 5 1.182 -26.026 -7.316 1.00 52.51 H new ATOM 0 HB THR A 5 2.409 -26.098 -4.531 1.00 60.04 H new ATOM 0 HG1 THR A 5 0.780 -27.778 -4.223 1.00 53.14 H new ATOM 0 HG21 THR A 5 0.142 -25.532 -3.726 1.00 15.43 H new ATOM 0 HG22 THR A 5 0.815 -24.249 -4.761 1.00 15.43 H new ATOM 0 HG23 THR A 5 -0.409 -25.366 -5.410 1.00 15.43 H new ATOM 65 N VAL A 6 1.956 -23.675 -7.621 1.00 42.15 N ATOM 66 CA VAL A 6 2.352 -22.273 -7.798 1.00 43.44 C ATOM 67 C VAL A 6 1.909 -21.392 -6.607 1.00 20.31 C ATOM 68 O VAL A 6 0.891 -20.697 -6.655 1.00 44.12 O ATOM 69 CB VAL A 6 1.814 -21.700 -9.143 1.00 10.43 C ATOM 70 CG1 VAL A 6 0.294 -21.853 -9.253 1.00 10.32 C ATOM 71 CG2 VAL A 6 2.238 -20.240 -9.330 1.00 51.21 C ATOM 0 H VAL A 6 1.228 -23.989 -8.262 1.00 42.15 H new ATOM 0 HA VAL A 6 3.441 -22.252 -7.831 1.00 43.44 H new ATOM 0 HB VAL A 6 2.259 -22.284 -9.948 1.00 10.43 H new ATOM 0 HG11 VAL A 6 -0.045 -21.442 -10.204 1.00 10.32 H new ATOM 0 HG12 VAL A 6 0.030 -22.909 -9.199 1.00 10.32 H new ATOM 0 HG13 VAL A 6 -0.186 -21.317 -8.434 1.00 10.32 H new ATOM 0 HG21 VAL A 6 1.848 -19.866 -10.277 1.00 51.21 H new ATOM 0 HG22 VAL A 6 1.842 -19.638 -8.512 1.00 51.21 H new ATOM 0 HG23 VAL A 6 3.326 -20.175 -9.334 1.00 51.21 H new ATOM 81 N HIS A 7 2.674 -21.455 -5.519 1.00 73.21 N ATOM 82 CA HIS A 7 2.406 -20.631 -4.333 1.00 45.32 C ATOM 83 C HIS A 7 2.705 -19.148 -4.605 1.00 65.44 C ATOM 84 O HIS A 7 3.859 -18.719 -4.623 1.00 21.23 O ATOM 85 CB HIS A 7 3.205 -21.146 -3.123 1.00 73.14 C ATOM 86 CG HIS A 7 4.628 -21.515 -3.428 1.00 42.23 C ATOM 87 ND1 HIS A 7 5.015 -22.804 -3.728 1.00 14.34 N ATOM 88 CD2 HIS A 7 5.761 -20.771 -3.464 1.00 33.05 C ATOM 89 CE1 HIS A 7 6.314 -22.836 -3.935 1.00 63.12 C ATOM 90 NE2 HIS A 7 6.793 -21.619 -3.783 1.00 74.42 N ATOM 0 H HIS A 7 3.485 -22.067 -5.430 1.00 73.21 H new ATOM 0 HA HIS A 7 1.345 -20.713 -4.098 1.00 45.32 H new ATOM 0 HB2 HIS A 7 3.200 -20.380 -2.348 1.00 73.14 H new ATOM 0 HB3 HIS A 7 2.697 -22.019 -2.713 1.00 73.14 H new ATOM 0 HD2 HIS A 7 5.838 -19.710 -3.277 1.00 33.05 H new ATOM 0 HE1 HIS A 7 6.891 -23.714 -4.187 1.00 63.12 H new ATOM 0 HE2 HIS A 7 7.771 -21.350 -3.886 1.00 74.42 H new ATOM 99 N THR A 8 1.646 -18.377 -4.825 1.00 12.12 N ATOM 100 CA THR A 8 1.768 -16.960 -5.186 1.00 24.55 C ATOM 101 C THR A 8 1.842 -16.055 -3.947 1.00 14.24 C ATOM 102 O THR A 8 1.005 -16.145 -3.047 1.00 14.04 O ATOM 103 CB THR A 8 0.574 -16.512 -6.067 1.00 55.54 C ATOM 104 OG1 THR A 8 0.500 -17.325 -7.252 1.00 32.22 O ATOM 105 CG2 THR A 8 0.690 -15.043 -6.469 1.00 52.30 C ATOM 0 H THR A 8 0.684 -18.708 -4.760 1.00 12.12 H new ATOM 0 HA THR A 8 2.698 -16.859 -5.745 1.00 24.55 H new ATOM 0 HB THR A 8 -0.333 -16.635 -5.475 1.00 55.54 H new ATOM 0 HG1 THR A 8 -0.258 -17.035 -7.801 1.00 32.22 H new ATOM 0 HG21 THR A 8 -0.165 -14.766 -7.086 1.00 52.30 H new ATOM 0 HG22 THR A 8 0.708 -14.421 -5.574 1.00 52.30 H new ATOM 0 HG23 THR A 8 1.609 -14.892 -7.035 1.00 52.30 H new ATOM 113 N SER A 9 2.852 -15.188 -3.904 1.00 3.13 N ATOM 114 CA SER A 9 2.989 -14.195 -2.822 1.00 5.33 C ATOM 115 C SER A 9 2.518 -12.811 -3.292 1.00 25.11 C ATOM 116 O SER A 9 2.111 -12.650 -4.442 1.00 3.21 O ATOM 117 CB SER A 9 4.443 -14.122 -2.341 1.00 32.11 C ATOM 118 OG SER A 9 4.591 -13.194 -1.278 1.00 33.54 O ATOM 0 H SER A 9 3.593 -15.147 -4.604 1.00 3.13 H new ATOM 0 HA SER A 9 2.360 -14.511 -1.990 1.00 5.33 H new ATOM 0 HB2 SER A 9 4.769 -15.109 -2.012 1.00 32.11 H new ATOM 0 HB3 SER A 9 5.088 -13.833 -3.171 1.00 32.11 H new ATOM 0 HG SER A 9 5.528 -13.171 -0.992 1.00 33.54 H new ATOM 124 N PHE A 10 2.576 -11.808 -2.414 1.00 54.40 N ATOM 125 CA PHE A 10 2.052 -10.471 -2.740 1.00 41.25 C ATOM 126 C PHE A 10 2.984 -9.344 -2.256 1.00 23.32 C ATOM 127 O PHE A 10 3.543 -9.411 -1.161 1.00 61.45 O ATOM 128 CB PHE A 10 0.647 -10.292 -2.142 1.00 73.14 C ATOM 129 CG PHE A 10 -0.354 -11.297 -2.658 1.00 55.11 C ATOM 130 CD1 PHE A 10 -1.048 -11.066 -3.840 1.00 21.34 C ATOM 131 CD2 PHE A 10 -0.588 -12.483 -1.973 1.00 13.22 C ATOM 132 CE1 PHE A 10 -1.952 -11.994 -4.322 1.00 53.44 C ATOM 133 CE2 PHE A 10 -1.493 -13.411 -2.451 1.00 21.11 C ATOM 134 CZ PHE A 10 -2.173 -13.167 -3.628 1.00 55.24 C ATOM 0 H PHE A 10 2.976 -11.890 -1.479 1.00 54.40 H new ATOM 0 HA PHE A 10 1.997 -10.401 -3.826 1.00 41.25 H new ATOM 0 HB2 PHE A 10 0.708 -10.375 -1.057 1.00 73.14 H new ATOM 0 HB3 PHE A 10 0.290 -9.287 -2.365 1.00 73.14 H new ATOM 0 HD1 PHE A 10 -0.879 -10.151 -4.388 1.00 21.34 H new ATOM 0 HD2 PHE A 10 -0.055 -12.682 -1.055 1.00 13.22 H new ATOM 0 HE1 PHE A 10 -2.485 -11.802 -5.241 1.00 53.44 H new ATOM 0 HE2 PHE A 10 -1.668 -14.326 -1.905 1.00 21.11 H new ATOM 0 HZ PHE A 10 -2.877 -13.893 -4.005 1.00 55.24 H new ATOM 144 N ILE A 11 3.137 -8.313 -3.092 1.00 33.41 N ATOM 145 CA ILE A 11 3.978 -7.144 -2.777 1.00 30.12 C ATOM 146 C ILE A 11 3.139 -5.851 -2.785 1.00 40.23 C ATOM 147 O ILE A 11 2.103 -5.782 -3.444 1.00 43.03 O ATOM 148 CB ILE A 11 5.141 -6.998 -3.802 1.00 61.41 C ATOM 149 CG1 ILE A 11 5.953 -8.301 -3.889 1.00 55.04 C ATOM 150 CG2 ILE A 11 6.054 -5.829 -3.433 1.00 54.14 C ATOM 151 CD1 ILE A 11 7.090 -8.250 -4.891 1.00 25.31 C ATOM 0 H ILE A 11 2.685 -8.261 -4.005 1.00 33.41 H new ATOM 0 HA ILE A 11 4.395 -7.302 -1.782 1.00 30.12 H new ATOM 0 HB ILE A 11 4.703 -6.794 -4.779 1.00 61.41 H new ATOM 0 HG12 ILE A 11 6.360 -8.531 -2.904 1.00 55.04 H new ATOM 0 HG13 ILE A 11 5.283 -9.118 -4.156 1.00 55.04 H new ATOM 0 HG21 ILE A 11 6.858 -5.750 -4.165 1.00 54.14 H new ATOM 0 HG22 ILE A 11 5.477 -4.904 -3.426 1.00 54.14 H new ATOM 0 HG23 ILE A 11 6.480 -5.998 -2.444 1.00 54.14 H new ATOM 0 HD11 ILE A 11 7.615 -9.205 -4.894 1.00 25.31 H new ATOM 0 HD12 ILE A 11 6.690 -8.052 -5.885 1.00 25.31 H new ATOM 0 HD13 ILE A 11 7.783 -7.456 -4.614 1.00 25.31 H new ATOM 163 N LEU A 12 3.586 -4.830 -2.052 1.00 41.43 N ATOM 164 CA LEU A 12 2.895 -3.533 -2.021 1.00 64.42 C ATOM 165 C LEU A 12 3.730 -2.436 -2.705 1.00 23.10 C ATOM 166 O LEU A 12 4.880 -2.192 -2.328 1.00 33.25 O ATOM 167 CB LEU A 12 2.604 -3.120 -0.569 1.00 15.45 C ATOM 168 CG LEU A 12 1.857 -1.783 -0.398 1.00 63.52 C ATOM 169 CD1 LEU A 12 0.413 -1.896 -0.881 1.00 31.54 C ATOM 170 CD2 LEU A 12 1.910 -1.314 1.054 1.00 61.25 C ATOM 0 H LEU A 12 4.423 -4.873 -1.471 1.00 41.43 H new ATOM 0 HA LEU A 12 1.958 -3.646 -2.566 1.00 64.42 H new ATOM 0 HB2 LEU A 12 2.017 -3.907 -0.096 1.00 15.45 H new ATOM 0 HB3 LEU A 12 3.550 -3.060 -0.030 1.00 15.45 H new ATOM 0 HG LEU A 12 2.359 -1.037 -1.014 1.00 63.52 H new ATOM 0 HD11 LEU A 12 -0.091 -0.939 -0.749 1.00 31.54 H new ATOM 0 HD12 LEU A 12 0.403 -2.169 -1.936 1.00 31.54 H new ATOM 0 HD13 LEU A 12 -0.105 -2.661 -0.303 1.00 31.54 H new ATOM 0 HD21 LEU A 12 1.376 -0.369 1.151 1.00 61.25 H new ATOM 0 HD22 LEU A 12 1.443 -2.062 1.695 1.00 61.25 H new ATOM 0 HD23 LEU A 12 2.949 -1.177 1.354 1.00 61.25 H new ATOM 182 N LYS A 13 3.153 -1.783 -3.715 1.00 30.41 N ATOM 183 CA LYS A 13 3.775 -0.605 -4.332 1.00 13.11 C ATOM 184 C LYS A 13 3.060 0.684 -3.897 1.00 42.41 C ATOM 185 O LYS A 13 1.835 0.785 -3.976 1.00 43.32 O ATOM 186 CB LYS A 13 3.761 -0.691 -5.865 1.00 24.45 C ATOM 187 CG LYS A 13 4.514 -1.885 -6.443 1.00 34.04 C ATOM 188 CD LYS A 13 4.820 -1.705 -7.931 1.00 75.41 C ATOM 189 CE LYS A 13 3.593 -1.282 -8.740 1.00 11.20 C ATOM 190 NZ LYS A 13 2.527 -2.313 -8.725 1.00 14.14 N ATOM 0 H LYS A 13 2.257 -2.048 -4.124 1.00 30.41 H new ATOM 0 HA LYS A 13 4.810 -0.582 -3.992 1.00 13.11 H new ATOM 0 HB2 LYS A 13 2.726 -0.733 -6.204 1.00 24.45 H new ATOM 0 HB3 LYS A 13 4.192 0.224 -6.271 1.00 24.45 H new ATOM 0 HG2 LYS A 13 5.446 -2.025 -5.896 1.00 34.04 H new ATOM 0 HG3 LYS A 13 3.922 -2.790 -6.302 1.00 34.04 H new ATOM 0 HD2 LYS A 13 5.603 -0.956 -8.048 1.00 75.41 H new ATOM 0 HD3 LYS A 13 5.210 -2.640 -8.333 1.00 75.41 H new ATOM 0 HE2 LYS A 13 3.199 -0.349 -8.337 1.00 11.20 H new ATOM 0 HE3 LYS A 13 3.890 -1.084 -9.770 1.00 11.20 H new ATOM 0 HZ1 LYS A 13 1.644 -1.904 -9.091 1.00 14.14 H new ATOM 0 HZ2 LYS A 13 2.811 -3.115 -9.323 1.00 14.14 H new ATOM 0 HZ3 LYS A 13 2.378 -2.644 -7.750 1.00 14.14 H new ATOM 204 N VAL A 14 3.835 1.667 -3.451 1.00 11.51 N ATOM 205 CA VAL A 14 3.284 2.951 -2.996 1.00 11.14 C ATOM 206 C VAL A 14 3.845 4.128 -3.813 1.00 63.02 C ATOM 207 O VAL A 14 5.051 4.355 -3.843 1.00 13.23 O ATOM 208 CB VAL A 14 3.585 3.187 -1.493 1.00 50.32 C ATOM 209 CG1 VAL A 14 3.025 4.530 -1.030 1.00 54.24 C ATOM 210 CG2 VAL A 14 3.032 2.043 -0.641 1.00 71.30 C ATOM 0 H VAL A 14 4.851 1.604 -3.393 1.00 11.51 H new ATOM 0 HA VAL A 14 2.205 2.901 -3.144 1.00 11.14 H new ATOM 0 HB VAL A 14 4.667 3.211 -1.365 1.00 50.32 H new ATOM 0 HG11 VAL A 14 3.249 4.673 0.027 1.00 54.24 H new ATOM 0 HG12 VAL A 14 3.481 5.333 -1.609 1.00 54.24 H new ATOM 0 HG13 VAL A 14 1.945 4.544 -1.177 1.00 54.24 H new ATOM 0 HG21 VAL A 14 3.255 2.231 0.409 1.00 71.30 H new ATOM 0 HG22 VAL A 14 1.952 1.977 -0.776 1.00 71.30 H new ATOM 0 HG23 VAL A 14 3.494 1.105 -0.948 1.00 71.30 H new ATOM 220 N LEU A 15 2.965 4.875 -4.473 1.00 14.01 N ATOM 221 CA LEU A 15 3.378 6.055 -5.240 1.00 64.53 C ATOM 222 C LEU A 15 3.535 7.271 -4.313 1.00 54.24 C ATOM 223 O LEU A 15 2.552 7.780 -3.765 1.00 51.43 O ATOM 224 CB LEU A 15 2.356 6.361 -6.343 1.00 15.12 C ATOM 225 CG LEU A 15 2.740 7.508 -7.295 1.00 44.41 C ATOM 226 CD1 LEU A 15 3.961 7.141 -8.136 1.00 72.34 C ATOM 227 CD2 LEU A 15 1.564 7.888 -8.190 1.00 21.41 C ATOM 0 H LEU A 15 1.962 4.688 -4.495 1.00 14.01 H new ATOM 0 HA LEU A 15 4.341 5.843 -5.704 1.00 64.53 H new ATOM 0 HB2 LEU A 15 2.201 5.458 -6.933 1.00 15.12 H new ATOM 0 HB3 LEU A 15 1.402 6.603 -5.875 1.00 15.12 H new ATOM 0 HG LEU A 15 2.999 8.374 -6.685 1.00 44.41 H new ATOM 0 HD11 LEU A 15 4.209 7.970 -8.799 1.00 72.34 H new ATOM 0 HD12 LEU A 15 4.807 6.936 -7.480 1.00 72.34 H new ATOM 0 HD13 LEU A 15 3.740 6.255 -8.731 1.00 72.34 H new ATOM 0 HD21 LEU A 15 1.860 8.700 -8.854 1.00 21.41 H new ATOM 0 HD22 LEU A 15 1.265 7.024 -8.784 1.00 21.41 H new ATOM 0 HD23 LEU A 15 0.726 8.211 -7.572 1.00 21.41 H new ATOM 239 N TRP A 16 4.772 7.728 -4.147 1.00 22.12 N ATOM 240 CA TRP A 16 5.084 8.829 -3.228 1.00 2.01 C ATOM 241 C TRP A 16 5.164 10.171 -3.980 1.00 14.41 C ATOM 242 O TRP A 16 6.123 10.423 -4.711 1.00 11.12 O ATOM 243 CB TRP A 16 6.412 8.537 -2.509 1.00 24.42 C ATOM 244 CG TRP A 16 6.692 9.447 -1.349 1.00 31.32 C ATOM 245 CD1 TRP A 16 7.374 10.629 -1.374 1.00 40.22 C ATOM 246 CD2 TRP A 16 6.301 9.236 0.014 1.00 61.04 C ATOM 247 NE1 TRP A 16 7.434 11.165 -0.111 1.00 10.41 N ATOM 248 CE2 TRP A 16 6.780 10.329 0.758 1.00 33.34 C ATOM 249 CE3 TRP A 16 5.591 8.229 0.674 1.00 44.23 C ATOM 250 CZ2 TRP A 16 6.572 10.442 2.131 1.00 23.41 C ATOM 251 CZ3 TRP A 16 5.384 8.342 2.036 1.00 33.15 C ATOM 252 CH2 TRP A 16 5.874 9.442 2.751 1.00 63.22 C ATOM 0 H TRP A 16 5.583 7.353 -4.639 1.00 22.12 H new ATOM 0 HA TRP A 16 4.284 8.907 -2.492 1.00 2.01 H new ATOM 0 HB2 TRP A 16 6.402 7.506 -2.155 1.00 24.42 H new ATOM 0 HB3 TRP A 16 7.228 8.619 -3.227 1.00 24.42 H new ATOM 0 HD1 TRP A 16 7.804 11.077 -2.258 1.00 40.22 H new ATOM 0 HE1 TRP A 16 7.891 12.042 0.140 1.00 10.41 H new ATOM 0 HE3 TRP A 16 5.211 7.377 0.129 1.00 44.23 H new ATOM 0 HZ2 TRP A 16 6.948 11.289 2.686 1.00 23.41 H new ATOM 0 HZ3 TRP A 16 4.836 7.570 2.557 1.00 33.15 H new ATOM 0 HH2 TRP A 16 5.697 9.502 3.815 1.00 63.22 H new ATOM 263 N LEU A 17 4.153 11.026 -3.805 1.00 45.22 N ATOM 264 CA LEU A 17 4.093 12.313 -4.515 1.00 75.32 C ATOM 265 C LEU A 17 4.282 13.511 -3.567 1.00 44.32 C ATOM 266 O LEU A 17 4.404 13.352 -2.355 1.00 0.43 O ATOM 267 CB LEU A 17 2.753 12.449 -5.258 1.00 52.31 C ATOM 268 CG LEU A 17 2.455 11.351 -6.291 1.00 73.43 C ATOM 269 CD1 LEU A 17 1.104 11.593 -6.960 1.00 23.23 C ATOM 270 CD2 LEU A 17 3.568 11.271 -7.335 1.00 74.10 C ATOM 0 H LEU A 17 3.365 10.854 -3.180 1.00 45.22 H new ATOM 0 HA LEU A 17 4.915 12.323 -5.230 1.00 75.32 H new ATOM 0 HB2 LEU A 17 1.949 12.459 -4.522 1.00 52.31 H new ATOM 0 HB3 LEU A 17 2.734 13.414 -5.764 1.00 52.31 H new ATOM 0 HG LEU A 17 2.411 10.396 -5.768 1.00 73.43 H new ATOM 0 HD11 LEU A 17 0.912 10.805 -7.688 1.00 23.23 H new ATOM 0 HD12 LEU A 17 0.318 11.589 -6.205 1.00 23.23 H new ATOM 0 HD13 LEU A 17 1.116 12.559 -7.466 1.00 23.23 H new ATOM 0 HD21 LEU A 17 3.335 10.487 -8.056 1.00 74.10 H new ATOM 0 HD22 LEU A 17 3.651 12.227 -7.853 1.00 74.10 H new ATOM 0 HD23 LEU A 17 4.513 11.042 -6.842 1.00 74.10 H new ATOM 282 N ASP A 18 4.281 14.711 -4.153 1.00 13.44 N ATOM 283 CA ASP A 18 4.474 15.974 -3.420 1.00 3.34 C ATOM 284 C ASP A 18 3.533 16.113 -2.201 1.00 72.31 C ATOM 285 O ASP A 18 3.989 16.200 -1.057 1.00 41.34 O ATOM 286 CB ASP A 18 4.274 17.146 -4.395 1.00 25.10 C ATOM 287 CG ASP A 18 4.370 18.507 -3.730 1.00 62.55 C ATOM 288 OD1 ASP A 18 5.487 18.905 -3.340 1.00 45.22 O ATOM 289 OD2 ASP A 18 3.333 19.192 -3.610 1.00 22.21 O ATOM 0 H ASP A 18 4.146 14.839 -5.156 1.00 13.44 H new ATOM 0 HA ASP A 18 5.488 15.980 -3.020 1.00 3.34 H new ATOM 0 HB2 ASP A 18 5.022 17.083 -5.186 1.00 25.10 H new ATOM 0 HB3 ASP A 18 3.298 17.050 -4.871 1.00 25.10 H new ATOM 294 N GLN A 19 2.225 16.163 -2.450 1.00 21.10 N ATOM 295 CA GLN A 19 1.228 16.273 -1.370 1.00 42.14 C ATOM 296 C GLN A 19 0.173 15.159 -1.449 1.00 14.34 C ATOM 297 O GLN A 19 -0.862 15.224 -0.785 1.00 22.34 O ATOM 298 CB GLN A 19 0.544 17.649 -1.421 1.00 15.33 C ATOM 299 CG GLN A 19 1.442 18.801 -0.981 1.00 21.12 C ATOM 300 CD GLN A 19 0.834 20.160 -1.275 1.00 62.11 C ATOM 301 OE1 GLN A 19 0.093 20.714 -0.473 1.00 34.35 O ATOM 302 NE2 GLN A 19 1.135 20.707 -2.436 1.00 65.54 N ATOM 0 H GLN A 19 1.825 16.130 -3.388 1.00 21.10 H new ATOM 0 HA GLN A 19 1.756 16.163 -0.423 1.00 42.14 H new ATOM 0 HB2 GLN A 19 0.201 17.836 -2.439 1.00 15.33 H new ATOM 0 HB3 GLN A 19 -0.341 17.628 -0.785 1.00 15.33 H new ATOM 0 HG2 GLN A 19 1.636 18.718 0.088 1.00 21.12 H new ATOM 0 HG3 GLN A 19 2.404 18.720 -1.487 1.00 21.12 H new ATOM 0 HE21 GLN A 19 1.755 20.221 -3.083 1.00 65.54 H new ATOM 0 HE22 GLN A 19 0.747 21.617 -2.687 1.00 65.54 H new ATOM 311 N ASN A 20 0.453 14.129 -2.246 1.00 22.21 N ATOM 312 CA ASN A 20 -0.473 13.001 -2.425 1.00 71.11 C ATOM 313 C ASN A 20 0.274 11.659 -2.379 1.00 31.03 C ATOM 314 O ASN A 20 1.490 11.605 -2.572 1.00 5.32 O ATOM 315 CB ASN A 20 -1.230 13.138 -3.755 1.00 63.02 C ATOM 316 CG ASN A 20 -2.094 14.387 -3.806 1.00 51.54 C ATOM 317 OD1 ASN A 20 -3.261 14.371 -3.429 1.00 33.24 O ATOM 318 ND2 ASN A 20 -1.524 15.481 -4.272 1.00 1.13 N ATOM 0 H ASN A 20 1.317 14.048 -2.782 1.00 22.21 H new ATOM 0 HA ASN A 20 -1.190 13.021 -1.604 1.00 71.11 H new ATOM 0 HB2 ASN A 20 -0.514 13.162 -4.576 1.00 63.02 H new ATOM 0 HB3 ASN A 20 -1.858 12.259 -3.904 1.00 63.02 H new ATOM 0 HD21 ASN A 20 -2.056 16.349 -4.327 1.00 1.13 H new ATOM 0 HD22 ASN A 20 -0.551 15.459 -4.577 1.00 1.13 H new ATOM 325 N VAL A 21 -0.457 10.578 -2.123 1.00 63.33 N ATOM 326 CA VAL A 21 0.138 9.239 -2.056 1.00 33.40 C ATOM 327 C VAL A 21 -0.868 8.160 -2.496 1.00 13.31 C ATOM 328 O VAL A 21 -2.069 8.271 -2.239 1.00 70.11 O ATOM 329 CB VAL A 21 0.658 8.927 -0.627 1.00 31.20 C ATOM 330 CG1 VAL A 21 -0.480 8.953 0.389 1.00 73.54 C ATOM 331 CG2 VAL A 21 1.400 7.592 -0.590 1.00 54.20 C ATOM 0 H VAL A 21 -1.463 10.599 -1.958 1.00 63.33 H new ATOM 0 HA VAL A 21 0.984 9.226 -2.744 1.00 33.40 H new ATOM 0 HB VAL A 21 1.367 9.708 -0.353 1.00 31.20 H new ATOM 0 HG11 VAL A 21 -0.087 8.731 1.381 1.00 73.54 H new ATOM 0 HG12 VAL A 21 -0.941 9.941 0.394 1.00 73.54 H new ATOM 0 HG13 VAL A 21 -1.226 8.206 0.119 1.00 73.54 H new ATOM 0 HG21 VAL A 21 1.753 7.400 0.423 1.00 54.20 H new ATOM 0 HG22 VAL A 21 0.726 6.792 -0.897 1.00 54.20 H new ATOM 0 HG23 VAL A 21 2.251 7.630 -1.270 1.00 54.20 H new ATOM 341 N ALA A 22 -0.372 7.124 -3.171 1.00 31.20 N ATOM 342 CA ALA A 22 -1.230 6.041 -3.678 1.00 12.22 C ATOM 343 C ALA A 22 -0.660 4.653 -3.346 1.00 31.54 C ATOM 344 O ALA A 22 0.554 4.478 -3.264 1.00 34.11 O ATOM 345 CB ALA A 22 -1.413 6.185 -5.183 1.00 5.55 C ATOM 0 H ALA A 22 0.619 7.007 -3.382 1.00 31.20 H new ATOM 0 HA ALA A 22 -2.197 6.125 -3.182 1.00 12.22 H new ATOM 0 HB1 ALA A 22 -2.049 5.380 -5.551 1.00 5.55 H new ATOM 0 HB2 ALA A 22 -1.880 7.145 -5.403 1.00 5.55 H new ATOM 0 HB3 ALA A 22 -0.441 6.133 -5.674 1.00 5.55 H new ATOM 351 N ILE A 23 -1.542 3.666 -3.176 1.00 5.22 N ATOM 352 CA ILE A 23 -1.126 2.291 -2.842 1.00 63.04 C ATOM 353 C ILE A 23 -1.669 1.258 -3.852 1.00 40.01 C ATOM 354 O ILE A 23 -2.749 1.437 -4.422 1.00 64.41 O ATOM 355 CB ILE A 23 -1.586 1.900 -1.410 1.00 62.24 C ATOM 356 CG1 ILE A 23 -3.109 2.093 -1.263 1.00 22.22 C ATOM 357 CG2 ILE A 23 -0.826 2.711 -0.356 1.00 14.11 C ATOM 358 CD1 ILE A 23 -3.638 1.800 0.129 1.00 62.25 C ATOM 0 H ILE A 23 -2.551 3.788 -3.263 1.00 5.22 H new ATOM 0 HA ILE A 23 -0.037 2.278 -2.890 1.00 63.04 H new ATOM 0 HB ILE A 23 -1.359 0.846 -1.249 1.00 62.24 H new ATOM 0 HG12 ILE A 23 -3.362 3.120 -1.528 1.00 22.22 H new ATOM 0 HG13 ILE A 23 -3.617 1.445 -1.977 1.00 22.22 H new ATOM 0 HG21 ILE A 23 -1.164 2.421 0.639 1.00 14.11 H new ATOM 0 HG22 ILE A 23 0.242 2.516 -0.448 1.00 14.11 H new ATOM 0 HG23 ILE A 23 -1.015 3.774 -0.508 1.00 14.11 H new ATOM 0 HD11 ILE A 23 -4.716 1.959 0.149 1.00 62.25 H new ATOM 0 HD12 ILE A 23 -3.419 0.765 0.391 1.00 62.25 H new ATOM 0 HD13 ILE A 23 -3.159 2.465 0.848 1.00 62.25 H new ATOM 370 N ALA A 24 -0.907 0.179 -4.069 1.00 53.55 N ATOM 371 CA ALA A 24 -1.301 -0.898 -4.991 1.00 23.03 C ATOM 372 C ALA A 24 -0.599 -2.224 -4.636 1.00 74.04 C ATOM 373 O ALA A 24 0.472 -2.219 -4.036 1.00 22.45 O ATOM 374 CB ALA A 24 -0.985 -0.504 -6.431 1.00 13.15 C ATOM 0 H ALA A 24 -0.006 0.026 -3.615 1.00 53.55 H new ATOM 0 HA ALA A 24 -2.376 -1.048 -4.891 1.00 23.03 H new ATOM 0 HB1 ALA A 24 -1.282 -1.310 -7.102 1.00 13.15 H new ATOM 0 HB2 ALA A 24 -1.532 0.403 -6.689 1.00 13.15 H new ATOM 0 HB3 ALA A 24 0.085 -0.323 -6.532 1.00 13.15 H new ATOM 380 N VAL A 25 -1.204 -3.352 -5.018 1.00 74.04 N ATOM 381 CA VAL A 25 -0.644 -4.683 -4.714 1.00 64.54 C ATOM 382 C VAL A 25 -0.245 -5.448 -5.994 1.00 45.20 C ATOM 383 O VAL A 25 -0.901 -5.338 -7.034 1.00 0.12 O ATOM 384 CB VAL A 25 -1.653 -5.540 -3.899 1.00 50.33 C ATOM 385 CG1 VAL A 25 -1.100 -6.940 -3.622 1.00 63.40 C ATOM 386 CG2 VAL A 25 -2.020 -4.839 -2.592 1.00 33.11 C ATOM 0 H VAL A 25 -2.081 -3.376 -5.538 1.00 74.04 H new ATOM 0 HA VAL A 25 0.253 -4.514 -4.119 1.00 64.54 H new ATOM 0 HB VAL A 25 -2.556 -5.652 -4.499 1.00 50.33 H new ATOM 0 HG11 VAL A 25 -1.830 -7.513 -3.050 1.00 63.40 H new ATOM 0 HG12 VAL A 25 -0.901 -7.446 -4.567 1.00 63.40 H new ATOM 0 HG13 VAL A 25 -0.175 -6.859 -3.051 1.00 63.40 H new ATOM 0 HG21 VAL A 25 -2.727 -5.454 -2.035 1.00 33.11 H new ATOM 0 HG22 VAL A 25 -1.121 -4.689 -1.995 1.00 33.11 H new ATOM 0 HG23 VAL A 25 -2.474 -3.873 -2.812 1.00 33.11 H new ATOM 396 N ASP A 26 0.838 -6.223 -5.898 1.00 43.10 N ATOM 397 CA ASP A 26 1.333 -7.049 -7.006 1.00 74.41 C ATOM 398 C ASP A 26 1.390 -8.527 -6.604 1.00 70.42 C ATOM 399 O ASP A 26 1.634 -8.854 -5.441 1.00 61.02 O ATOM 400 CB ASP A 26 2.732 -6.586 -7.426 1.00 4.21 C ATOM 401 CG ASP A 26 2.741 -5.147 -7.887 1.00 51.44 C ATOM 402 OD1 ASP A 26 2.519 -4.251 -7.050 1.00 14.20 O ATOM 403 OD2 ASP A 26 2.957 -4.901 -9.092 1.00 32.22 O ATOM 0 H ASP A 26 1.399 -6.297 -5.049 1.00 43.10 H new ATOM 0 HA ASP A 26 0.643 -6.937 -7.842 1.00 74.41 H new ATOM 0 HB2 ASP A 26 3.418 -6.702 -6.587 1.00 4.21 H new ATOM 0 HB3 ASP A 26 3.099 -7.226 -8.229 1.00 4.21 H new ATOM 408 N GLN A 27 1.175 -9.416 -7.565 1.00 55.10 N ATOM 409 CA GLN A 27 1.238 -10.859 -7.313 1.00 15.23 C ATOM 410 C GLN A 27 2.571 -11.453 -7.810 1.00 71.01 C ATOM 411 O GLN A 27 2.993 -11.210 -8.946 1.00 23.15 O ATOM 412 CB GLN A 27 0.050 -11.570 -7.991 1.00 11.44 C ATOM 413 CG GLN A 27 0.046 -11.471 -9.514 1.00 53.45 C ATOM 414 CD GLN A 27 -1.115 -12.212 -10.157 1.00 4.45 C ATOM 415 OE1 GLN A 27 -0.935 -13.491 -10.415 1.00 10.32 O flip ATOM 416 NE2 GLN A 27 -2.172 -11.647 -10.406 1.00 53.53 N flip ATOM 0 H GLN A 27 0.955 -9.168 -8.529 1.00 55.10 H new ATOM 0 HA GLN A 27 1.179 -11.018 -6.236 1.00 15.23 H new ATOM 0 HB2 GLN A 27 0.061 -12.622 -7.707 1.00 11.44 H new ATOM 0 HB3 GLN A 27 -0.879 -11.146 -7.608 1.00 11.44 H new ATOM 0 HG2 GLN A 27 0.004 -10.421 -9.804 1.00 53.45 H new ATOM 0 HG3 GLN A 27 0.983 -11.871 -9.901 1.00 53.45 H new ATOM 0 HE21 GLN A 27 -2.282 -10.655 -10.195 1.00 53.53 H new ATOM 0 HE22 GLN A 27 -2.943 -12.168 -10.824 1.00 53.53 H new ATOM 425 N ILE A 28 3.246 -12.216 -6.950 1.00 64.41 N ATOM 426 CA ILE A 28 4.488 -12.901 -7.326 1.00 50.32 C ATOM 427 C ILE A 28 4.186 -14.257 -7.979 1.00 52.20 C ATOM 428 O ILE A 28 3.877 -15.236 -7.299 1.00 10.42 O ATOM 429 CB ILE A 28 5.425 -13.119 -6.110 1.00 44.42 C ATOM 430 CG1 ILE A 28 5.766 -11.775 -5.442 1.00 24.22 C ATOM 431 CG2 ILE A 28 6.703 -13.843 -6.542 1.00 14.51 C ATOM 432 CD1 ILE A 28 6.722 -11.893 -4.271 1.00 70.21 C ATOM 0 H ILE A 28 2.955 -12.377 -5.986 1.00 64.41 H new ATOM 0 HA ILE A 28 4.998 -12.254 -8.040 1.00 50.32 H new ATOM 0 HB ILE A 28 4.905 -13.742 -5.382 1.00 44.42 H new ATOM 0 HG12 ILE A 28 6.202 -11.111 -6.188 1.00 24.22 H new ATOM 0 HG13 ILE A 28 4.843 -11.307 -5.099 1.00 24.22 H new ATOM 0 HG21 ILE A 28 7.349 -13.988 -5.676 1.00 14.51 H new ATOM 0 HG22 ILE A 28 6.445 -14.812 -6.969 1.00 14.51 H new ATOM 0 HG23 ILE A 28 7.225 -13.245 -7.289 1.00 14.51 H new ATOM 0 HD11 ILE A 28 6.912 -10.903 -3.855 1.00 70.21 H new ATOM 0 HD12 ILE A 28 6.281 -12.530 -3.504 1.00 70.21 H new ATOM 0 HD13 ILE A 28 7.661 -12.330 -4.610 1.00 70.21 H new ATOM 444 N VAL A 29 4.260 -14.296 -9.302 1.00 31.33 N ATOM 445 CA VAL A 29 3.992 -15.518 -10.066 1.00 74.03 C ATOM 446 C VAL A 29 5.278 -16.345 -10.237 1.00 52.53 C ATOM 447 O VAL A 29 6.381 -15.800 -10.189 1.00 2.15 O ATOM 448 CB VAL A 29 3.421 -15.167 -11.466 1.00 34.51 C ATOM 449 CG1 VAL A 29 2.865 -16.401 -12.168 1.00 14.22 C ATOM 450 CG2 VAL A 29 2.360 -14.075 -11.362 1.00 4.02 C ATOM 0 H VAL A 29 4.505 -13.490 -9.878 1.00 31.33 H new ATOM 0 HA VAL A 29 3.260 -16.106 -9.512 1.00 74.03 H new ATOM 0 HB VAL A 29 4.244 -14.787 -12.072 1.00 34.51 H new ATOM 0 HG11 VAL A 29 2.474 -16.118 -13.145 1.00 14.22 H new ATOM 0 HG12 VAL A 29 3.659 -17.137 -12.294 1.00 14.22 H new ATOM 0 HG13 VAL A 29 2.064 -16.831 -11.567 1.00 14.22 H new ATOM 0 HG21 VAL A 29 1.975 -13.846 -12.356 1.00 4.02 H new ATOM 0 HG22 VAL A 29 1.544 -14.420 -10.727 1.00 4.02 H new ATOM 0 HG23 VAL A 29 2.802 -13.178 -10.929 1.00 4.02 H new ATOM 460 N GLY A 30 5.136 -17.654 -10.464 1.00 53.51 N ATOM 461 CA GLY A 30 6.301 -18.514 -10.685 1.00 21.03 C ATOM 462 C GLY A 30 7.140 -18.087 -11.889 1.00 41.25 C ATOM 463 O GLY A 30 8.268 -18.549 -12.073 1.00 63.12 O ATOM 0 H GLY A 30 4.238 -18.136 -10.499 1.00 53.51 H new ATOM 0 HA2 GLY A 30 6.926 -18.505 -9.792 1.00 21.03 H new ATOM 0 HA3 GLY A 30 5.965 -19.541 -10.829 1.00 21.03 H new ATOM 467 N LYS A 31 6.574 -17.219 -12.723 1.00 31.02 N ATOM 468 CA LYS A 31 7.285 -16.646 -13.870 1.00 50.34 C ATOM 469 C LYS A 31 7.904 -15.277 -13.524 1.00 42.22 C ATOM 470 O LYS A 31 8.963 -14.915 -14.038 1.00 3.23 O ATOM 471 CB LYS A 31 6.316 -16.494 -15.048 1.00 31.41 C ATOM 472 CG LYS A 31 5.663 -17.804 -15.481 1.00 13.14 C ATOM 473 CD LYS A 31 4.619 -17.592 -16.575 1.00 72.54 C ATOM 474 CE LYS A 31 5.225 -16.954 -17.819 1.00 0.12 C ATOM 475 NZ LYS A 31 4.202 -16.689 -18.862 1.00 22.20 N ATOM 0 H LYS A 31 5.613 -16.892 -12.626 1.00 31.02 H new ATOM 0 HA LYS A 31 8.096 -17.322 -14.140 1.00 50.34 H new ATOM 0 HB2 LYS A 31 5.536 -15.783 -14.776 1.00 31.41 H new ATOM 0 HB3 LYS A 31 6.853 -16.069 -15.896 1.00 31.41 H new ATOM 0 HG2 LYS A 31 6.430 -18.489 -15.841 1.00 13.14 H new ATOM 0 HG3 LYS A 31 5.193 -18.276 -14.619 1.00 13.14 H new ATOM 0 HD2 LYS A 31 4.170 -18.549 -16.839 1.00 72.54 H new ATOM 0 HD3 LYS A 31 3.818 -16.958 -16.195 1.00 72.54 H new ATOM 0 HE2 LYS A 31 5.714 -16.019 -17.545 1.00 0.12 H new ATOM 0 HE3 LYS A 31 5.995 -17.610 -18.225 1.00 0.12 H new ATOM 0 HZ1 LYS A 31 4.656 -16.255 -19.691 1.00 22.20 H new ATOM 0 HZ2 LYS A 31 3.752 -17.584 -19.142 1.00 22.20 H new ATOM 0 HZ3 LYS A 31 3.480 -16.042 -18.484 1.00 22.20 H new ATOM 489 N GLY A 32 7.240 -14.524 -12.647 1.00 4.03 N ATOM 490 CA GLY A 32 7.700 -13.190 -12.284 1.00 60.52 C ATOM 491 C GLY A 32 6.622 -12.382 -11.569 1.00 54.51 C ATOM 492 O GLY A 32 5.544 -12.895 -11.275 1.00 10.03 O ATOM 0 H GLY A 32 6.383 -14.817 -12.177 1.00 4.03 H new ATOM 0 HA2 GLY A 32 8.576 -13.272 -11.641 1.00 60.52 H new ATOM 0 HA3 GLY A 32 8.013 -12.659 -13.183 1.00 60.52 H new ATOM 496 N THR A 33 6.902 -11.116 -11.297 1.00 65.55 N ATOM 497 CA THR A 33 5.942 -10.237 -10.604 1.00 41.22 C ATOM 498 C THR A 33 4.984 -9.555 -11.591 1.00 15.55 C ATOM 499 O THR A 33 5.390 -9.134 -12.675 1.00 4.13 O ATOM 500 CB THR A 33 6.658 -9.145 -9.768 1.00 61.10 C ATOM 501 OG1 THR A 33 7.487 -8.328 -10.612 1.00 4.03 O ATOM 502 CG2 THR A 33 7.510 -9.773 -8.670 1.00 0.13 C ATOM 0 H THR A 33 7.783 -10.664 -11.541 1.00 65.55 H new ATOM 0 HA THR A 33 5.372 -10.881 -9.935 1.00 41.22 H new ATOM 0 HB THR A 33 5.892 -8.522 -9.306 1.00 61.10 H new ATOM 0 HG1 THR A 33 7.931 -7.643 -10.070 1.00 4.03 H new ATOM 0 HG21 THR A 33 8.002 -8.987 -8.097 1.00 0.13 H new ATOM 0 HG22 THR A 33 6.874 -10.361 -8.008 1.00 0.13 H new ATOM 0 HG23 THR A 33 8.263 -10.420 -9.119 1.00 0.13 H new ATOM 510 N SER A 34 3.711 -9.452 -11.213 1.00 11.32 N ATOM 511 CA SER A 34 2.690 -8.831 -12.076 1.00 23.40 C ATOM 512 C SER A 34 1.712 -7.973 -11.259 1.00 40.31 C ATOM 513 O SER A 34 1.237 -8.401 -10.205 1.00 51.41 O ATOM 514 CB SER A 34 1.906 -9.910 -12.841 1.00 71.15 C ATOM 515 OG SER A 34 0.929 -9.335 -13.701 1.00 54.11 O ATOM 0 H SER A 34 3.356 -9.788 -10.318 1.00 11.32 H new ATOM 0 HA SER A 34 3.209 -8.185 -12.785 1.00 23.40 H new ATOM 0 HB2 SER A 34 2.597 -10.516 -13.427 1.00 71.15 H new ATOM 0 HB3 SER A 34 1.419 -10.579 -12.131 1.00 71.15 H new ATOM 0 HG SER A 34 0.450 -10.047 -14.174 1.00 54.11 H new ATOM 521 N PRO A 35 1.399 -6.747 -11.731 1.00 40.01 N ATOM 522 CA PRO A 35 0.469 -5.840 -11.031 1.00 11.13 C ATOM 523 C PRO A 35 -0.917 -6.464 -10.787 1.00 63.12 C ATOM 524 O PRO A 35 -1.634 -6.811 -11.732 1.00 42.32 O ATOM 525 CB PRO A 35 0.362 -4.634 -11.977 1.00 53.35 C ATOM 526 CG PRO A 35 1.615 -4.675 -12.785 1.00 52.11 C ATOM 527 CD PRO A 35 1.936 -6.135 -12.965 1.00 15.04 C ATOM 0 HA PRO A 35 0.832 -5.589 -10.035 1.00 11.13 H new ATOM 0 HB2 PRO A 35 -0.521 -4.706 -12.612 1.00 53.35 H new ATOM 0 HB3 PRO A 35 0.280 -3.700 -11.421 1.00 53.35 H new ATOM 0 HG2 PRO A 35 1.476 -4.183 -13.748 1.00 52.11 H new ATOM 0 HG3 PRO A 35 2.427 -4.156 -12.276 1.00 52.11 H new ATOM 0 HD2 PRO A 35 1.464 -6.545 -13.858 1.00 15.04 H new ATOM 0 HD3 PRO A 35 3.008 -6.303 -13.066 1.00 15.04 H new ATOM 535 N LEU A 36 -1.294 -6.590 -9.514 1.00 43.25 N ATOM 536 CA LEU A 36 -2.575 -7.199 -9.136 1.00 43.33 C ATOM 537 C LEU A 36 -3.691 -6.141 -9.058 1.00 33.54 C ATOM 538 O LEU A 36 -4.834 -6.398 -9.448 1.00 41.21 O ATOM 539 CB LEU A 36 -2.432 -7.924 -7.788 1.00 35.34 C ATOM 540 CG LEU A 36 -3.657 -8.739 -7.343 1.00 5.41 C ATOM 541 CD1 LEU A 36 -3.899 -9.907 -8.295 1.00 72.33 C ATOM 542 CD2 LEU A 36 -3.486 -9.233 -5.907 1.00 43.42 C ATOM 0 H LEU A 36 -0.730 -6.278 -8.723 1.00 43.25 H new ATOM 0 HA LEU A 36 -2.851 -7.922 -9.904 1.00 43.33 H new ATOM 0 HB2 LEU A 36 -1.573 -8.593 -7.844 1.00 35.34 H new ATOM 0 HB3 LEU A 36 -2.210 -7.184 -7.019 1.00 35.34 H new ATOM 0 HG LEU A 36 -4.531 -8.088 -7.374 1.00 5.41 H new ATOM 0 HD11 LEU A 36 -4.770 -10.472 -7.964 1.00 72.33 H new ATOM 0 HD12 LEU A 36 -4.075 -9.526 -9.301 1.00 72.33 H new ATOM 0 HD13 LEU A 36 -3.025 -10.558 -8.301 1.00 72.33 H new ATOM 0 HD21 LEU A 36 -4.364 -9.807 -5.613 1.00 43.42 H new ATOM 0 HD22 LEU A 36 -2.601 -9.866 -5.843 1.00 43.42 H new ATOM 0 HD23 LEU A 36 -3.371 -8.379 -5.240 1.00 43.42 H new ATOM 554 N THR A 37 -3.360 -4.955 -8.541 1.00 62.32 N ATOM 555 CA THR A 37 -4.324 -3.843 -8.458 1.00 71.01 C ATOM 556 C THR A 37 -3.727 -2.536 -9.005 1.00 13.02 C ATOM 557 O THR A 37 -2.553 -2.478 -9.377 1.00 70.44 O ATOM 558 CB THR A 37 -4.804 -3.586 -7.002 1.00 61.44 C ATOM 559 OG1 THR A 37 -3.740 -3.020 -6.220 1.00 42.03 O ATOM 560 CG2 THR A 37 -5.298 -4.872 -6.336 1.00 45.32 C ATOM 0 H THR A 37 -2.434 -4.735 -8.173 1.00 62.32 H new ATOM 0 HA THR A 37 -5.176 -4.146 -9.067 1.00 71.01 H new ATOM 0 HB THR A 37 -5.637 -2.885 -7.051 1.00 61.44 H new ATOM 0 HG1 THR A 37 -4.117 -2.441 -5.525 1.00 42.03 H new ATOM 0 HG21 THR A 37 -5.625 -4.653 -5.320 1.00 45.32 H new ATOM 0 HG22 THR A 37 -6.133 -5.279 -6.906 1.00 45.32 H new ATOM 0 HG23 THR A 37 -4.488 -5.601 -6.307 1.00 45.32 H new ATOM 568 N SER A 38 -4.547 -1.487 -9.045 1.00 12.35 N ATOM 569 CA SER A 38 -4.107 -0.162 -9.514 1.00 62.22 C ATOM 570 C SER A 38 -3.872 0.794 -8.331 1.00 31.41 C ATOM 571 O SER A 38 -4.335 0.537 -7.219 1.00 22.21 O ATOM 572 CB SER A 38 -5.155 0.429 -10.468 1.00 2.34 C ATOM 573 OG SER A 38 -4.766 1.705 -10.941 1.00 32.41 O ATOM 0 H SER A 38 -5.525 -1.524 -8.758 1.00 12.35 H new ATOM 0 HA SER A 38 -3.163 -0.283 -10.045 1.00 62.22 H new ATOM 0 HB2 SER A 38 -5.300 -0.244 -11.313 1.00 2.34 H new ATOM 0 HB3 SER A 38 -6.113 0.507 -9.954 1.00 2.34 H new ATOM 0 HG SER A 38 -3.792 1.732 -11.046 1.00 32.41 H new ATOM 579 N TYR A 39 -3.155 1.894 -8.574 1.00 14.25 N ATOM 580 CA TYR A 39 -2.838 2.869 -7.515 1.00 5.52 C ATOM 581 C TYR A 39 -4.082 3.641 -7.036 1.00 14.34 C ATOM 582 O TYR A 39 -4.679 4.415 -7.784 1.00 1.43 O ATOM 583 CB TYR A 39 -1.770 3.862 -8.000 1.00 15.44 C ATOM 584 CG TYR A 39 -0.355 3.310 -7.992 1.00 5.35 C ATOM 585 CD1 TYR A 39 0.388 3.285 -6.816 1.00 71.35 C ATOM 586 CD2 TYR A 39 0.244 2.831 -9.155 1.00 21.12 C ATOM 587 CE1 TYR A 39 1.678 2.797 -6.797 1.00 13.21 C ATOM 588 CE2 TYR A 39 1.538 2.343 -9.143 1.00 73.51 C ATOM 589 CZ TYR A 39 2.249 2.329 -7.961 1.00 11.32 C ATOM 590 OH TYR A 39 3.539 1.853 -7.943 1.00 51.05 O ATOM 0 H TYR A 39 -2.781 2.136 -9.492 1.00 14.25 H new ATOM 0 HA TYR A 39 -2.454 2.300 -6.668 1.00 5.52 H new ATOM 0 HB2 TYR A 39 -2.018 4.179 -9.013 1.00 15.44 H new ATOM 0 HB3 TYR A 39 -1.804 4.751 -7.370 1.00 15.44 H new ATOM 0 HD1 TYR A 39 -0.053 3.654 -5.902 1.00 71.35 H new ATOM 0 HD2 TYR A 39 -0.311 2.841 -10.081 1.00 21.12 H new ATOM 0 HE1 TYR A 39 2.238 2.782 -5.874 1.00 13.21 H new ATOM 0 HE2 TYR A 39 1.989 1.975 -10.053 1.00 73.51 H new ATOM 0 HH TYR A 39 4.050 2.319 -7.249 1.00 51.05 H new ATOM 600 N PHE A 40 -4.467 3.431 -5.782 1.00 11.23 N ATOM 601 CA PHE A 40 -5.591 4.163 -5.185 1.00 54.53 C ATOM 602 C PHE A 40 -5.100 5.402 -4.414 1.00 24.44 C ATOM 603 O PHE A 40 -4.311 5.288 -3.475 1.00 1.52 O ATOM 604 CB PHE A 40 -6.386 3.238 -4.256 1.00 62.22 C ATOM 605 CG PHE A 40 -6.920 2.001 -4.941 1.00 64.30 C ATOM 606 CD1 PHE A 40 -8.013 2.079 -5.794 1.00 5.44 C ATOM 607 CD2 PHE A 40 -6.330 0.760 -4.732 1.00 11.44 C ATOM 608 CE1 PHE A 40 -8.503 0.948 -6.424 1.00 24.52 C ATOM 609 CE2 PHE A 40 -6.817 -0.372 -5.358 1.00 4.44 C ATOM 610 CZ PHE A 40 -7.904 -0.277 -6.205 1.00 32.03 C ATOM 0 H PHE A 40 -4.021 2.761 -5.155 1.00 11.23 H new ATOM 0 HA PHE A 40 -6.242 4.505 -5.990 1.00 54.53 H new ATOM 0 HB2 PHE A 40 -5.748 2.936 -3.426 1.00 62.22 H new ATOM 0 HB3 PHE A 40 -7.220 3.795 -3.830 1.00 62.22 H new ATOM 0 HD1 PHE A 40 -8.487 3.034 -5.968 1.00 5.44 H new ATOM 0 HD2 PHE A 40 -5.479 0.679 -4.071 1.00 11.44 H new ATOM 0 HE1 PHE A 40 -9.353 1.023 -7.086 1.00 24.52 H new ATOM 0 HE2 PHE A 40 -6.348 -1.329 -5.185 1.00 4.44 H new ATOM 0 HZ PHE A 40 -8.285 -1.160 -6.696 1.00 32.03 H new ATOM 620 N PHE A 41 -5.574 6.584 -4.820 1.00 22.15 N ATOM 621 CA PHE A 41 -5.166 7.857 -4.199 1.00 43.40 C ATOM 622 C PHE A 41 -6.140 8.296 -3.095 1.00 70.35 C ATOM 623 O PHE A 41 -7.354 8.300 -3.295 1.00 33.11 O ATOM 624 CB PHE A 41 -5.089 8.967 -5.261 1.00 30.31 C ATOM 625 CG PHE A 41 -4.017 8.764 -6.298 1.00 52.34 C ATOM 626 CD1 PHE A 41 -4.204 7.878 -7.350 1.00 61.45 C ATOM 627 CD2 PHE A 41 -2.820 9.465 -6.222 1.00 21.44 C ATOM 628 CE1 PHE A 41 -3.221 7.695 -8.303 1.00 5.22 C ATOM 629 CE2 PHE A 41 -1.835 9.284 -7.173 1.00 74.40 C ATOM 630 CZ PHE A 41 -2.035 8.398 -8.214 1.00 32.23 C ATOM 0 H PHE A 41 -6.245 6.690 -5.581 1.00 22.15 H new ATOM 0 HA PHE A 41 -4.186 7.693 -3.751 1.00 43.40 H new ATOM 0 HB2 PHE A 41 -6.054 9.040 -5.763 1.00 30.31 H new ATOM 0 HB3 PHE A 41 -4.917 9.920 -4.761 1.00 30.31 H new ATOM 0 HD1 PHE A 41 -5.129 7.325 -7.424 1.00 61.45 H new ATOM 0 HD2 PHE A 41 -2.658 10.159 -5.410 1.00 21.44 H new ATOM 0 HE1 PHE A 41 -3.379 7.003 -9.117 1.00 5.22 H new ATOM 0 HE2 PHE A 41 -0.909 9.835 -7.103 1.00 74.40 H new ATOM 0 HZ PHE A 41 -1.265 8.255 -8.958 1.00 32.23 H new ATOM 640 N TRP A 42 -5.601 8.705 -1.945 1.00 52.33 N ATOM 641 CA TRP A 42 -6.429 9.201 -0.835 1.00 24.20 C ATOM 642 C TRP A 42 -5.997 10.632 -0.431 1.00 14.14 C ATOM 643 O TRP A 42 -4.875 11.051 -0.728 1.00 72.12 O ATOM 644 CB TRP A 42 -6.338 8.239 0.370 1.00 54.31 C ATOM 645 CG TRP A 42 -5.209 8.527 1.314 1.00 50.11 C ATOM 646 CD1 TRP A 42 -3.871 8.360 1.092 1.00 63.40 C ATOM 647 CD2 TRP A 42 -5.335 9.026 2.651 1.00 32.43 C ATOM 648 NE1 TRP A 42 -3.160 8.744 2.202 1.00 24.41 N ATOM 649 CE2 TRP A 42 -4.037 9.153 3.173 1.00 60.11 C ATOM 650 CE3 TRP A 42 -6.425 9.379 3.453 1.00 73.41 C ATOM 651 CZ2 TRP A 42 -3.797 9.623 4.462 1.00 73.44 C ATOM 652 CZ3 TRP A 42 -6.188 9.844 4.731 1.00 34.32 C ATOM 653 CH2 TRP A 42 -4.882 9.962 5.227 1.00 1.52 C ATOM 0 H TRP A 42 -4.599 8.704 -1.755 1.00 52.33 H new ATOM 0 HA TRP A 42 -7.467 9.242 -1.165 1.00 24.20 H new ATOM 0 HB2 TRP A 42 -7.276 8.280 0.923 1.00 54.31 H new ATOM 0 HB3 TRP A 42 -6.232 7.220 -0.002 1.00 54.31 H new ATOM 0 HD1 TRP A 42 -3.437 7.982 0.178 1.00 63.40 H new ATOM 0 HE1 TRP A 42 -2.144 8.728 2.290 1.00 24.41 H new ATOM 0 HE3 TRP A 42 -7.434 9.289 3.079 1.00 73.41 H new ATOM 0 HZ2 TRP A 42 -2.792 9.717 4.845 1.00 73.44 H new ATOM 0 HZ3 TRP A 42 -7.022 10.121 5.359 1.00 34.32 H new ATOM 0 HH2 TRP A 42 -4.728 10.327 6.232 1.00 1.52 H new ATOM 664 N PRO A 43 -6.872 11.417 0.242 1.00 2.03 N ATOM 665 CA PRO A 43 -8.241 11.013 0.609 1.00 73.21 C ATOM 666 C PRO A 43 -9.278 11.270 -0.500 1.00 64.44 C ATOM 667 O PRO A 43 -10.487 11.156 -0.271 1.00 62.11 O ATOM 668 CB PRO A 43 -8.520 11.892 1.829 1.00 5.33 C ATOM 669 CG PRO A 43 -7.769 13.155 1.562 1.00 11.30 C ATOM 670 CD PRO A 43 -6.563 12.779 0.728 1.00 64.44 C ATOM 0 HA PRO A 43 -8.318 9.941 0.790 1.00 73.21 H new ATOM 0 HB2 PRO A 43 -9.587 12.082 1.945 1.00 5.33 H new ATOM 0 HB3 PRO A 43 -8.179 11.415 2.748 1.00 5.33 H new ATOM 0 HG2 PRO A 43 -8.396 13.873 1.033 1.00 11.30 H new ATOM 0 HG3 PRO A 43 -7.462 13.627 2.495 1.00 11.30 H new ATOM 0 HD2 PRO A 43 -6.418 13.474 -0.099 1.00 64.44 H new ATOM 0 HD3 PRO A 43 -5.648 12.793 1.321 1.00 64.44 H new ATOM 678 N ARG A 44 -8.800 11.615 -1.699 1.00 62.32 N ATOM 679 CA ARG A 44 -9.676 11.802 -2.866 1.00 14.22 C ATOM 680 C ARG A 44 -10.547 10.558 -3.094 1.00 22.40 C ATOM 681 O ARG A 44 -11.717 10.657 -3.456 1.00 31.40 O ATOM 682 CB ARG A 44 -8.838 12.103 -4.116 1.00 24.02 C ATOM 683 CG ARG A 44 -7.947 13.330 -3.959 1.00 32.43 C ATOM 684 CD ARG A 44 -7.177 13.665 -5.231 1.00 10.54 C ATOM 685 NE ARG A 44 -6.313 14.828 -5.037 1.00 42.05 N ATOM 686 CZ ARG A 44 -5.489 15.300 -5.934 1.00 23.25 C ATOM 687 NH1 ARG A 44 -5.428 14.782 -7.119 1.00 44.11 N ATOM 688 NH2 ARG A 44 -4.732 16.307 -5.646 1.00 64.33 N ATOM 0 H ARG A 44 -7.810 11.771 -1.890 1.00 62.32 H new ATOM 0 HA ARG A 44 -10.333 12.650 -2.672 1.00 14.22 H new ATOM 0 HB2 ARG A 44 -8.217 11.238 -4.346 1.00 24.02 H new ATOM 0 HB3 ARG A 44 -9.505 12.252 -4.965 1.00 24.02 H new ATOM 0 HG2 ARG A 44 -8.560 14.185 -3.675 1.00 32.43 H new ATOM 0 HG3 ARG A 44 -7.241 13.160 -3.146 1.00 32.43 H new ATOM 0 HD2 ARG A 44 -6.575 12.807 -5.531 1.00 10.54 H new ATOM 0 HD3 ARG A 44 -7.878 13.861 -6.042 1.00 10.54 H new ATOM 0 HE ARG A 44 -6.357 15.305 -4.137 1.00 42.05 H new ATOM 0 HH11 ARG A 44 -6.029 13.994 -7.363 1.00 44.11 H new ATOM 0 HH12 ARG A 44 -4.779 15.162 -7.809 1.00 44.11 H new ATOM 0 HH21 ARG A 44 -4.779 16.732 -4.720 1.00 64.33 H new ATOM 0 HH22 ARG A 44 -4.088 16.677 -6.345 1.00 64.33 H new ATOM 702 N ALA A 45 -9.956 9.389 -2.869 1.00 3.00 N ATOM 703 CA ALA A 45 -10.689 8.126 -2.872 1.00 0.34 C ATOM 704 C ALA A 45 -10.281 7.271 -1.665 1.00 42.33 C ATOM 705 O ALA A 45 -9.136 7.331 -1.212 1.00 52.51 O ATOM 706 CB ALA A 45 -10.431 7.372 -4.173 1.00 53.01 C ATOM 0 H ALA A 45 -8.959 9.289 -2.680 1.00 3.00 H new ATOM 0 HA ALA A 45 -11.756 8.338 -2.799 1.00 0.34 H new ATOM 0 HB1 ALA A 45 -10.983 6.432 -4.164 1.00 53.01 H new ATOM 0 HB2 ALA A 45 -10.761 7.978 -5.017 1.00 53.01 H new ATOM 0 HB3 ALA A 45 -9.365 7.166 -4.269 1.00 53.01 H new ATOM 712 N ASP A 46 -11.216 6.494 -1.128 1.00 45.10 N ATOM 713 CA ASP A 46 -10.907 5.570 -0.026 1.00 72.03 C ATOM 714 C ASP A 46 -9.926 4.476 -0.488 1.00 21.34 C ATOM 715 O ASP A 46 -10.322 3.374 -0.873 1.00 44.21 O ATOM 716 CB ASP A 46 -12.202 4.961 0.532 1.00 41.42 C ATOM 717 CG ASP A 46 -13.199 4.643 -0.568 1.00 12.33 C ATOM 718 OD1 ASP A 46 -13.941 5.563 -0.975 1.00 45.32 O ATOM 719 OD2 ASP A 46 -13.234 3.493 -1.046 1.00 3.23 O ATOM 0 H ASP A 46 -12.190 6.480 -1.431 1.00 45.10 H new ATOM 0 HA ASP A 46 -10.421 6.128 0.774 1.00 72.03 H new ATOM 0 HB2 ASP A 46 -11.967 4.050 1.083 1.00 41.42 H new ATOM 0 HB3 ASP A 46 -12.653 5.655 1.241 1.00 41.42 H new ATOM 724 N ALA A 47 -8.637 4.818 -0.476 1.00 13.11 N ATOM 725 CA ALA A 47 -7.575 3.930 -0.961 1.00 24.32 C ATOM 726 C ALA A 47 -7.605 2.548 -0.294 1.00 51.12 C ATOM 727 O ALA A 47 -7.627 1.523 -0.972 1.00 22.42 O ATOM 728 CB ALA A 47 -6.215 4.591 -0.748 1.00 75.54 C ATOM 0 H ALA A 47 -8.298 5.716 -0.131 1.00 13.11 H new ATOM 0 HA ALA A 47 -7.748 3.768 -2.025 1.00 24.32 H new ATOM 0 HB1 ALA A 47 -5.428 3.929 -1.109 1.00 75.54 H new ATOM 0 HB2 ALA A 47 -6.178 5.532 -1.297 1.00 75.54 H new ATOM 0 HB3 ALA A 47 -6.067 4.785 0.314 1.00 75.54 H new ATOM 734 N TRP A 48 -7.617 2.526 1.033 1.00 71.13 N ATOM 735 CA TRP A 48 -7.557 1.270 1.785 1.00 22.11 C ATOM 736 C TRP A 48 -8.828 0.426 1.574 1.00 62.41 C ATOM 737 O TRP A 48 -8.761 -0.799 1.452 1.00 61.11 O ATOM 738 CB TRP A 48 -7.341 1.569 3.276 1.00 44.32 C ATOM 739 CG TRP A 48 -7.001 0.361 4.099 1.00 30.45 C ATOM 740 CD1 TRP A 48 -5.775 -0.230 4.221 1.00 14.54 C ATOM 741 CD2 TRP A 48 -7.894 -0.393 4.925 1.00 44.22 C ATOM 742 NE1 TRP A 48 -5.854 -1.304 5.071 1.00 30.12 N ATOM 743 CE2 TRP A 48 -7.142 -1.426 5.515 1.00 21.23 C ATOM 744 CE3 TRP A 48 -9.256 -0.296 5.222 1.00 2.44 C ATOM 745 CZ2 TRP A 48 -7.708 -2.354 6.383 1.00 60.05 C ATOM 746 CZ3 TRP A 48 -9.815 -1.218 6.087 1.00 54.33 C ATOM 747 CH2 TRP A 48 -9.042 -2.236 6.657 1.00 34.12 C ATOM 0 H TRP A 48 -7.668 3.362 1.615 1.00 71.13 H new ATOM 0 HA TRP A 48 -6.715 0.685 1.413 1.00 22.11 H new ATOM 0 HB2 TRP A 48 -6.540 2.301 3.377 1.00 44.32 H new ATOM 0 HB3 TRP A 48 -8.244 2.027 3.678 1.00 44.32 H new ATOM 0 HD1 TRP A 48 -4.876 0.100 3.722 1.00 14.54 H new ATOM 0 HE1 TRP A 48 -5.078 -1.913 5.330 1.00 30.12 H new ATOM 0 HE3 TRP A 48 -9.860 0.485 4.784 1.00 2.44 H new ATOM 0 HZ2 TRP A 48 -7.114 -3.140 6.825 1.00 60.05 H new ATOM 0 HZ3 TRP A 48 -10.866 -1.152 6.327 1.00 54.33 H new ATOM 0 HH2 TRP A 48 -9.509 -2.943 7.327 1.00 34.12 H new ATOM 758 N GLN A 49 -9.983 1.092 1.515 1.00 33.22 N ATOM 759 CA GLN A 49 -11.265 0.409 1.296 1.00 43.13 C ATOM 760 C GLN A 49 -11.325 -0.252 -0.094 1.00 14.12 C ATOM 761 O GLN A 49 -11.620 -1.443 -0.212 1.00 63.34 O ATOM 762 CB GLN A 49 -12.432 1.397 1.470 1.00 1.34 C ATOM 763 CG GLN A 49 -13.808 0.809 1.146 1.00 12.23 C ATOM 764 CD GLN A 49 -14.207 -0.351 2.049 1.00 1.34 C ATOM 765 OE1 GLN A 49 -13.804 -0.311 3.307 1.00 63.50 O flip ATOM 766 NE2 GLN A 49 -14.902 -1.270 1.623 1.00 41.42 N flip ATOM 0 H GLN A 49 -10.060 2.104 1.616 1.00 33.22 H new ATOM 0 HA GLN A 49 -11.353 -0.381 2.042 1.00 43.13 H new ATOM 0 HB2 GLN A 49 -12.437 1.758 2.498 1.00 1.34 H new ATOM 0 HB3 GLN A 49 -12.259 2.262 0.829 1.00 1.34 H new ATOM 0 HG2 GLN A 49 -14.558 1.596 1.228 1.00 12.23 H new ATOM 0 HG3 GLN A 49 -13.813 0.470 0.110 1.00 12.23 H new ATOM 0 HE21 GLN A 49 -15.199 -1.275 0.647 1.00 41.42 H new ATOM 0 HE22 GLN A 49 -15.182 -2.028 2.245 1.00 41.42 H new ATOM 775 N GLN A 50 -11.044 0.516 -1.142 1.00 71.45 N ATOM 776 CA GLN A 50 -11.059 -0.021 -2.510 1.00 12.42 C ATOM 777 C GLN A 50 -9.915 -1.024 -2.751 1.00 43.45 C ATOM 778 O GLN A 50 -10.047 -1.935 -3.571 1.00 51.53 O ATOM 779 CB GLN A 50 -11.020 1.123 -3.535 1.00 60.33 C ATOM 780 CG GLN A 50 -12.369 1.824 -3.694 1.00 50.11 C ATOM 781 CD GLN A 50 -12.303 3.084 -4.540 1.00 44.14 C ATOM 782 OE1 GLN A 50 -12.431 3.041 -5.762 1.00 71.24 O ATOM 783 NE2 GLN A 50 -12.138 4.218 -3.892 1.00 64.42 N ATOM 0 H GLN A 50 -10.804 1.505 -1.078 1.00 71.45 H new ATOM 0 HA GLN A 50 -11.991 -0.571 -2.639 1.00 12.42 H new ATOM 0 HB2 GLN A 50 -10.271 1.853 -3.229 1.00 60.33 H new ATOM 0 HB3 GLN A 50 -10.705 0.728 -4.501 1.00 60.33 H new ATOM 0 HG2 GLN A 50 -13.079 1.130 -4.145 1.00 50.11 H new ATOM 0 HG3 GLN A 50 -12.755 2.079 -2.707 1.00 50.11 H new ATOM 0 HE21 GLN A 50 -12.035 4.215 -2.877 1.00 64.42 H new ATOM 0 HE22 GLN A 50 -12.113 5.099 -4.405 1.00 64.42 H new ATOM 792 N LEU A 51 -8.801 -0.868 -2.035 1.00 74.01 N ATOM 793 CA LEU A 51 -7.702 -1.839 -2.120 1.00 72.44 C ATOM 794 C LEU A 51 -8.130 -3.205 -1.555 1.00 24.50 C ATOM 795 O LEU A 51 -8.023 -4.233 -2.232 1.00 72.43 O ATOM 796 CB LEU A 51 -6.461 -1.333 -1.372 1.00 32.04 C ATOM 797 CG LEU A 51 -5.254 -2.291 -1.397 1.00 50.23 C ATOM 798 CD1 LEU A 51 -4.819 -2.577 -2.831 1.00 53.20 C ATOM 799 CD2 LEU A 51 -4.093 -1.729 -0.580 1.00 52.24 C ATOM 0 H LEU A 51 -8.633 -0.090 -1.397 1.00 74.01 H new ATOM 0 HA LEU A 51 -7.451 -1.958 -3.174 1.00 72.44 H new ATOM 0 HB2 LEU A 51 -6.158 -0.379 -1.804 1.00 32.04 H new ATOM 0 HB3 LEU A 51 -6.733 -1.141 -0.334 1.00 32.04 H new ATOM 0 HG LEU A 51 -5.562 -3.232 -0.941 1.00 50.23 H new ATOM 0 HD11 LEU A 51 -3.966 -3.255 -2.824 1.00 53.20 H new ATOM 0 HD12 LEU A 51 -5.643 -3.036 -3.376 1.00 53.20 H new ATOM 0 HD13 LEU A 51 -4.537 -1.644 -3.319 1.00 53.20 H new ATOM 0 HD21 LEU A 51 -3.254 -2.424 -0.614 1.00 52.24 H new ATOM 0 HD22 LEU A 51 -3.786 -0.769 -0.996 1.00 52.24 H new ATOM 0 HD23 LEU A 51 -4.409 -1.592 0.454 1.00 52.24 H new ATOM 811 N LYS A 52 -8.626 -3.211 -0.314 1.00 0.01 N ATOM 812 CA LYS A 52 -9.099 -4.450 0.311 1.00 61.00 C ATOM 813 C LYS A 52 -10.263 -5.051 -0.486 1.00 3.44 C ATOM 814 O LYS A 52 -10.379 -6.267 -0.605 1.00 72.02 O ATOM 815 CB LYS A 52 -9.523 -4.210 1.771 1.00 5.24 C ATOM 816 CG LYS A 52 -10.741 -3.301 1.934 1.00 4.41 C ATOM 817 CD LYS A 52 -11.081 -3.055 3.401 1.00 71.12 C ATOM 818 CE LYS A 52 -11.482 -4.338 4.125 1.00 33.31 C ATOM 819 NZ LYS A 52 -12.747 -4.911 3.593 1.00 41.40 N ATOM 0 H LYS A 52 -8.710 -2.381 0.273 1.00 0.01 H new ATOM 0 HA LYS A 52 -8.271 -5.159 0.308 1.00 61.00 H new ATOM 0 HB2 LYS A 52 -9.738 -5.172 2.237 1.00 5.24 H new ATOM 0 HB3 LYS A 52 -8.684 -3.774 2.313 1.00 5.24 H new ATOM 0 HG2 LYS A 52 -10.550 -2.347 1.442 1.00 4.41 H new ATOM 0 HG3 LYS A 52 -11.599 -3.751 1.434 1.00 4.41 H new ATOM 0 HD2 LYS A 52 -10.220 -2.611 3.902 1.00 71.12 H new ATOM 0 HD3 LYS A 52 -11.895 -2.333 3.467 1.00 71.12 H new ATOM 0 HE2 LYS A 52 -10.683 -5.073 4.028 1.00 33.31 H new ATOM 0 HE3 LYS A 52 -11.598 -4.132 5.189 1.00 33.31 H new ATOM 0 HZ1 LYS A 52 -13.025 -5.732 4.168 1.00 41.40 H new ATOM 0 HZ2 LYS A 52 -13.497 -4.191 3.631 1.00 41.40 H new ATOM 0 HZ3 LYS A 52 -12.605 -5.211 2.607 1.00 41.40 H new ATOM 833 N ASP A 53 -11.109 -4.184 -1.048 1.00 31.14 N ATOM 834 CA ASP A 53 -12.262 -4.619 -1.838 1.00 70.34 C ATOM 835 C ASP A 53 -11.822 -5.476 -3.040 1.00 64.01 C ATOM 836 O ASP A 53 -12.427 -6.510 -3.330 1.00 64.54 O ATOM 837 CB ASP A 53 -13.059 -3.400 -2.307 1.00 41.24 C ATOM 838 CG ASP A 53 -14.433 -3.776 -2.823 1.00 13.10 C ATOM 839 OD1 ASP A 53 -15.345 -3.976 -1.991 1.00 5.14 O ATOM 840 OD2 ASP A 53 -14.611 -3.878 -4.054 1.00 42.21 O ATOM 0 H ASP A 53 -11.015 -3.171 -0.969 1.00 31.14 H new ATOM 0 HA ASP A 53 -12.899 -5.239 -1.207 1.00 70.34 H new ATOM 0 HB2 ASP A 53 -13.163 -2.697 -1.481 1.00 41.24 H new ATOM 0 HB3 ASP A 53 -12.505 -2.887 -3.094 1.00 41.24 H new ATOM 845 N GLU A 54 -10.767 -5.037 -3.730 1.00 41.01 N ATOM 846 CA GLU A 54 -10.168 -5.822 -4.819 1.00 21.02 C ATOM 847 C GLU A 54 -9.597 -7.152 -4.302 1.00 44.21 C ATOM 848 O GLU A 54 -9.846 -8.213 -4.878 1.00 72.45 O ATOM 849 CB GLU A 54 -9.062 -5.013 -5.520 1.00 63.51 C ATOM 850 CG GLU A 54 -9.581 -4.005 -6.542 1.00 61.22 C ATOM 851 CD GLU A 54 -10.234 -4.681 -7.741 1.00 25.33 C ATOM 852 OE1 GLU A 54 -9.500 -5.136 -8.645 1.00 64.12 O ATOM 853 OE2 GLU A 54 -11.478 -4.780 -7.779 1.00 71.20 O ATOM 0 H GLU A 54 -10.308 -4.143 -3.556 1.00 41.01 H new ATOM 0 HA GLU A 54 -10.957 -6.046 -5.537 1.00 21.02 H new ATOM 0 HB2 GLU A 54 -8.481 -4.483 -4.766 1.00 63.51 H new ATOM 0 HB3 GLU A 54 -8.382 -5.704 -6.019 1.00 63.51 H new ATOM 0 HG2 GLU A 54 -10.303 -3.344 -6.063 1.00 61.22 H new ATOM 0 HG3 GLU A 54 -8.756 -3.381 -6.885 1.00 61.22 H new ATOM 860 N LEU A 55 -8.839 -7.085 -3.210 1.00 40.02 N ATOM 861 CA LEU A 55 -8.244 -8.281 -2.601 1.00 31.03 C ATOM 862 C LEU A 55 -9.323 -9.296 -2.174 1.00 70.12 C ATOM 863 O LEU A 55 -9.119 -10.506 -2.261 1.00 70.21 O ATOM 864 CB LEU A 55 -7.377 -7.882 -1.401 1.00 42.03 C ATOM 865 CG LEU A 55 -6.185 -6.964 -1.735 1.00 45.42 C ATOM 866 CD1 LEU A 55 -5.478 -6.514 -0.460 1.00 64.14 C ATOM 867 CD2 LEU A 55 -5.208 -7.670 -2.678 1.00 53.42 C ATOM 0 H LEU A 55 -8.620 -6.215 -2.725 1.00 40.02 H new ATOM 0 HA LEU A 55 -7.617 -8.765 -3.350 1.00 31.03 H new ATOM 0 HB2 LEU A 55 -8.008 -7.381 -0.667 1.00 42.03 H new ATOM 0 HB3 LEU A 55 -6.997 -8.788 -0.929 1.00 42.03 H new ATOM 0 HG LEU A 55 -6.567 -6.078 -2.242 1.00 45.42 H new ATOM 0 HD11 LEU A 55 -4.640 -5.867 -0.718 1.00 64.14 H new ATOM 0 HD12 LEU A 55 -6.178 -5.966 0.171 1.00 64.14 H new ATOM 0 HD13 LEU A 55 -5.110 -7.387 0.079 1.00 64.14 H new ATOM 0 HD21 LEU A 55 -4.374 -7.005 -2.902 1.00 53.42 H new ATOM 0 HD22 LEU A 55 -4.833 -8.576 -2.202 1.00 53.42 H new ATOM 0 HD23 LEU A 55 -5.721 -7.933 -3.603 1.00 53.42 H new ATOM 879 N GLU A 56 -10.469 -8.793 -1.719 1.00 21.24 N ATOM 880 CA GLU A 56 -11.607 -9.646 -1.348 1.00 54.21 C ATOM 881 C GLU A 56 -12.323 -10.182 -2.597 1.00 63.10 C ATOM 882 O GLU A 56 -12.732 -11.343 -2.640 1.00 43.12 O ATOM 883 CB GLU A 56 -12.598 -8.863 -0.474 1.00 11.31 C ATOM 884 CG GLU A 56 -12.008 -8.387 0.848 1.00 13.43 C ATOM 885 CD GLU A 56 -12.961 -7.491 1.622 1.00 30.32 C ATOM 886 OE1 GLU A 56 -13.069 -6.293 1.287 1.00 52.44 O ATOM 887 OE2 GLU A 56 -13.603 -7.975 2.573 1.00 50.32 O ATOM 0 H GLU A 56 -10.639 -7.795 -1.596 1.00 21.24 H new ATOM 0 HA GLU A 56 -11.222 -10.493 -0.781 1.00 54.21 H new ATOM 0 HB2 GLU A 56 -12.957 -7.999 -1.033 1.00 11.31 H new ATOM 0 HB3 GLU A 56 -13.464 -9.493 -0.269 1.00 11.31 H new ATOM 0 HG2 GLU A 56 -11.750 -9.252 1.459 1.00 13.43 H new ATOM 0 HG3 GLU A 56 -11.082 -7.846 0.655 1.00 13.43 H new ATOM 894 N ALA A 57 -12.466 -9.326 -3.610 1.00 0.43 N ATOM 895 CA ALA A 57 -13.078 -9.717 -4.884 1.00 24.21 C ATOM 896 C ALA A 57 -12.280 -10.838 -5.561 1.00 24.23 C ATOM 897 O ALA A 57 -12.832 -11.660 -6.295 1.00 62.11 O ATOM 898 CB ALA A 57 -13.192 -8.506 -5.805 1.00 71.01 C ATOM 0 H ALA A 57 -12.165 -8.352 -3.574 1.00 0.43 H new ATOM 0 HA ALA A 57 -14.078 -10.099 -4.680 1.00 24.21 H new ATOM 0 HB1 ALA A 57 -13.648 -8.808 -6.748 1.00 71.01 H new ATOM 0 HB2 ALA A 57 -13.811 -7.745 -5.330 1.00 71.01 H new ATOM 0 HB3 ALA A 57 -12.199 -8.099 -5.996 1.00 71.01 H new ATOM 904 N LYS A 58 -10.975 -10.856 -5.315 1.00 20.00 N ATOM 905 CA LYS A 58 -10.114 -11.940 -5.777 1.00 13.44 C ATOM 906 C LYS A 58 -10.066 -13.045 -4.706 1.00 0.51 C ATOM 907 O LYS A 58 -9.159 -13.097 -3.877 1.00 43.14 O ATOM 908 CB LYS A 58 -8.711 -11.395 -6.074 1.00 1.50 C ATOM 909 CG LYS A 58 -8.711 -10.180 -7.001 1.00 72.51 C ATOM 910 CD LYS A 58 -7.319 -9.577 -7.143 1.00 15.11 C ATOM 911 CE LYS A 58 -7.341 -8.259 -7.913 1.00 3.53 C ATOM 912 NZ LYS A 58 -7.939 -8.409 -9.265 1.00 11.23 N ATOM 0 H LYS A 58 -10.487 -10.127 -4.795 1.00 20.00 H new ATOM 0 HA LYS A 58 -10.514 -12.367 -6.697 1.00 13.44 H new ATOM 0 HB2 LYS A 58 -8.229 -11.125 -5.135 1.00 1.50 H new ATOM 0 HB3 LYS A 58 -8.111 -12.186 -6.525 1.00 1.50 H new ATOM 0 HG2 LYS A 58 -9.083 -10.472 -7.983 1.00 72.51 H new ATOM 0 HG3 LYS A 58 -9.396 -9.426 -6.612 1.00 72.51 H new ATOM 0 HD2 LYS A 58 -6.893 -9.411 -6.153 1.00 15.11 H new ATOM 0 HD3 LYS A 58 -6.668 -10.285 -7.656 1.00 15.11 H new ATOM 0 HE2 LYS A 58 -7.907 -7.519 -7.347 1.00 3.53 H new ATOM 0 HE3 LYS A 58 -6.324 -7.878 -8.008 1.00 3.53 H new ATOM 0 HZ1 LYS A 58 -7.796 -7.533 -9.807 1.00 11.23 H new ATOM 0 HZ2 LYS A 58 -7.482 -9.201 -9.761 1.00 11.23 H new ATOM 0 HZ3 LYS A 58 -8.958 -8.598 -9.175 1.00 11.23 H new ATOM 926 N HIS A 59 -11.070 -13.918 -4.725 1.00 1.54 N ATOM 927 CA HIS A 59 -11.294 -14.886 -3.641 1.00 52.01 C ATOM 928 C HIS A 59 -10.242 -16.012 -3.594 1.00 74.31 C ATOM 929 O HIS A 59 -10.296 -16.885 -2.724 1.00 42.42 O ATOM 930 CB HIS A 59 -12.706 -15.467 -3.758 1.00 12.43 C ATOM 931 CG HIS A 59 -13.774 -14.413 -3.710 1.00 44.24 C ATOM 932 ND1 HIS A 59 -14.367 -13.884 -4.838 1.00 63.02 N ATOM 933 CD2 HIS A 59 -14.353 -13.783 -2.660 1.00 34.12 C ATOM 934 CE1 HIS A 59 -15.256 -12.979 -4.484 1.00 33.32 C ATOM 935 NE2 HIS A 59 -15.270 -12.898 -3.171 1.00 0.34 N ATOM 0 H HIS A 59 -11.749 -13.979 -5.483 1.00 1.54 H new ATOM 0 HA HIS A 59 -11.189 -14.344 -2.701 1.00 52.01 H new ATOM 0 HB2 HIS A 59 -12.790 -16.021 -4.693 1.00 12.43 H new ATOM 0 HB3 HIS A 59 -12.869 -16.180 -2.950 1.00 12.43 H new ATOM 0 HD2 HIS A 59 -14.134 -13.946 -1.615 1.00 34.12 H new ATOM 0 HE1 HIS A 59 -15.870 -12.401 -5.158 1.00 33.32 H new ATOM 0 HE2 HIS A 59 -15.865 -12.278 -2.622 1.00 0.34 H new ATOM 944 N TRP A 60 -9.297 -15.999 -4.531 1.00 15.31 N ATOM 945 CA TRP A 60 -8.165 -16.936 -4.496 1.00 51.24 C ATOM 946 C TRP A 60 -7.041 -16.432 -3.564 1.00 34.34 C ATOM 947 O TRP A 60 -6.034 -17.114 -3.366 1.00 11.34 O ATOM 948 CB TRP A 60 -7.628 -17.207 -5.915 1.00 71.11 C ATOM 949 CG TRP A 60 -7.276 -15.974 -6.706 1.00 23.43 C ATOM 950 CD1 TRP A 60 -8.145 -15.139 -7.349 1.00 0.11 C ATOM 951 CD2 TRP A 60 -5.961 -15.462 -6.967 1.00 23.24 C ATOM 952 NE1 TRP A 60 -7.455 -14.133 -7.977 1.00 43.21 N ATOM 953 CE2 TRP A 60 -6.114 -14.308 -7.761 1.00 73.11 C ATOM 954 CE3 TRP A 60 -4.670 -15.862 -6.603 1.00 13.21 C ATOM 955 CZ2 TRP A 60 -5.030 -13.550 -8.195 1.00 14.43 C ATOM 956 CZ3 TRP A 60 -3.591 -15.109 -7.037 1.00 13.31 C ATOM 957 CH2 TRP A 60 -3.778 -13.964 -7.825 1.00 52.53 C ATOM 0 H TRP A 60 -9.288 -15.355 -5.322 1.00 15.31 H new ATOM 0 HA TRP A 60 -8.531 -17.878 -4.088 1.00 51.24 H new ATOM 0 HB2 TRP A 60 -6.742 -17.837 -5.838 1.00 71.11 H new ATOM 0 HB3 TRP A 60 -8.376 -17.775 -6.468 1.00 71.11 H new ATOM 0 HD1 TRP A 60 -9.219 -15.254 -7.361 1.00 0.11 H new ATOM 0 HE1 TRP A 60 -7.874 -13.376 -8.518 1.00 43.21 H new ATOM 0 HE3 TRP A 60 -4.518 -16.741 -5.995 1.00 13.21 H new ATOM 0 HZ2 TRP A 60 -5.171 -12.668 -8.801 1.00 14.43 H new ATOM 0 HZ3 TRP A 60 -2.590 -15.409 -6.764 1.00 13.31 H new ATOM 0 HH2 TRP A 60 -2.917 -13.397 -8.147 1.00 52.53 H new ATOM 968 N ILE A 61 -7.229 -15.238 -3.000 1.00 73.52 N ATOM 969 CA ILE A 61 -6.318 -14.687 -1.984 1.00 65.32 C ATOM 970 C ILE A 61 -6.711 -15.183 -0.578 1.00 22.12 C ATOM 971 O ILE A 61 -7.891 -15.180 -0.220 1.00 13.33 O ATOM 972 CB ILE A 61 -6.336 -13.124 -1.985 1.00 23.24 C ATOM 973 CG1 ILE A 61 -5.579 -12.543 -3.193 1.00 62.44 C ATOM 974 CG2 ILE A 61 -5.743 -12.564 -0.690 1.00 34.21 C ATOM 975 CD1 ILE A 61 -6.064 -13.019 -4.541 1.00 2.04 C ATOM 0 H ILE A 61 -8.011 -14.625 -3.230 1.00 73.52 H new ATOM 0 HA ILE A 61 -5.315 -15.031 -2.234 1.00 65.32 H new ATOM 0 HB ILE A 61 -7.381 -12.823 -2.058 1.00 23.24 H new ATOM 0 HG12 ILE A 61 -5.653 -11.456 -3.160 1.00 62.44 H new ATOM 0 HG13 ILE A 61 -4.523 -12.793 -3.095 1.00 62.44 H new ATOM 0 HG21 ILE A 61 -5.769 -11.475 -0.719 1.00 34.21 H new ATOM 0 HG22 ILE A 61 -6.326 -12.918 0.160 1.00 34.21 H new ATOM 0 HG23 ILE A 61 -4.711 -12.900 -0.587 1.00 34.21 H new ATOM 0 HD11 ILE A 61 -5.469 -12.554 -5.327 1.00 2.04 H new ATOM 0 HD12 ILE A 61 -5.963 -14.103 -4.602 1.00 2.04 H new ATOM 0 HD13 ILE A 61 -7.111 -12.745 -4.669 1.00 2.04 H new ATOM 987 N ALA A 62 -5.730 -15.611 0.215 1.00 22.51 N ATOM 988 CA ALA A 62 -5.989 -16.021 1.602 1.00 33.45 C ATOM 989 C ALA A 62 -5.999 -14.809 2.550 1.00 34.33 C ATOM 990 O ALA A 62 -5.367 -13.783 2.278 1.00 22.12 O ATOM 991 CB ALA A 62 -4.956 -17.050 2.053 1.00 2.11 C ATOM 0 H ALA A 62 -4.754 -15.684 -0.072 1.00 22.51 H new ATOM 0 HA ALA A 62 -6.977 -16.479 1.640 1.00 33.45 H new ATOM 0 HB1 ALA A 62 -5.161 -17.344 3.082 1.00 2.11 H new ATOM 0 HB2 ALA A 62 -5.010 -17.927 1.408 1.00 2.11 H new ATOM 0 HB3 ALA A 62 -3.958 -16.615 1.992 1.00 2.11 H new ATOM 997 N GLU A 63 -6.717 -14.931 3.667 1.00 24.21 N ATOM 998 CA GLU A 63 -6.839 -13.832 4.634 1.00 51.35 C ATOM 999 C GLU A 63 -5.463 -13.285 5.044 1.00 74.34 C ATOM 1000 O GLU A 63 -5.217 -12.084 4.960 1.00 44.41 O ATOM 1001 CB GLU A 63 -7.603 -14.292 5.881 1.00 34.22 C ATOM 1002 CG GLU A 63 -7.917 -13.161 6.856 1.00 70.20 C ATOM 1003 CD GLU A 63 -8.603 -13.647 8.121 1.00 74.12 C ATOM 1004 OE1 GLU A 63 -9.761 -14.105 8.035 1.00 75.42 O ATOM 1005 OE2 GLU A 63 -7.989 -13.579 9.206 1.00 21.30 O ATOM 0 H GLU A 63 -7.223 -15.777 3.927 1.00 24.21 H new ATOM 0 HA GLU A 63 -7.395 -13.031 4.146 1.00 51.35 H new ATOM 0 HB2 GLU A 63 -8.536 -14.764 5.572 1.00 34.22 H new ATOM 0 HB3 GLU A 63 -7.017 -15.053 6.396 1.00 34.22 H new ATOM 0 HG2 GLU A 63 -6.992 -12.651 7.123 1.00 70.20 H new ATOM 0 HG3 GLU A 63 -8.554 -12.428 6.362 1.00 70.20 H new ATOM 1012 N ALA A 64 -4.571 -14.180 5.470 1.00 14.23 N ATOM 1013 CA ALA A 64 -3.218 -13.796 5.894 1.00 14.53 C ATOM 1014 C ALA A 64 -2.510 -12.910 4.855 1.00 32.02 C ATOM 1015 O ALA A 64 -1.865 -11.919 5.201 1.00 62.11 O ATOM 1016 CB ALA A 64 -2.388 -15.045 6.171 1.00 54.43 C ATOM 0 H ALA A 64 -4.759 -15.181 5.532 1.00 14.23 H new ATOM 0 HA ALA A 64 -3.315 -13.208 6.806 1.00 14.53 H new ATOM 0 HB1 ALA A 64 -1.386 -14.754 6.485 1.00 54.43 H new ATOM 0 HB2 ALA A 64 -2.861 -15.628 6.961 1.00 54.43 H new ATOM 0 HB3 ALA A 64 -2.324 -15.647 5.265 1.00 54.43 H new ATOM 1022 N ASP A 65 -2.656 -13.261 3.580 1.00 54.11 N ATOM 1023 CA ASP A 65 -1.990 -12.533 2.498 1.00 35.41 C ATOM 1024 C ASP A 65 -2.539 -11.104 2.347 1.00 1.43 C ATOM 1025 O ASP A 65 -1.771 -10.135 2.319 1.00 45.31 O ATOM 1026 CB ASP A 65 -2.141 -13.295 1.183 1.00 44.42 C ATOM 1027 CG ASP A 65 -1.643 -14.725 1.284 1.00 22.01 C ATOM 1028 OD1 ASP A 65 -0.552 -14.945 1.847 1.00 71.44 O ATOM 1029 OD2 ASP A 65 -2.351 -15.640 0.816 1.00 61.42 O ATOM 0 H ASP A 65 -3.229 -14.045 3.268 1.00 54.11 H new ATOM 0 HA ASP A 65 -0.933 -12.455 2.754 1.00 35.41 H new ATOM 0 HB2 ASP A 65 -3.190 -13.298 0.886 1.00 44.42 H new ATOM 0 HB3 ASP A 65 -1.590 -12.775 0.399 1.00 44.42 H new ATOM 1034 N ARG A 66 -3.867 -10.968 2.255 1.00 14.45 N ATOM 1035 CA ARG A 66 -4.478 -9.641 2.115 1.00 35.41 C ATOM 1036 C ARG A 66 -4.264 -8.795 3.377 1.00 54.24 C ATOM 1037 O ARG A 66 -4.003 -7.599 3.288 1.00 22.10 O ATOM 1038 CB ARG A 66 -5.979 -9.721 1.771 1.00 24.14 C ATOM 1039 CG ARG A 66 -6.841 -10.471 2.787 1.00 20.54 C ATOM 1040 CD ARG A 66 -8.333 -10.268 2.512 1.00 30.23 C ATOM 1041 NE ARG A 66 -9.180 -11.115 3.355 1.00 42.15 N ATOM 1042 CZ ARG A 66 -10.199 -10.686 4.049 1.00 70.10 C ATOM 1043 NH1 ARG A 66 -10.501 -9.426 4.075 1.00 2.24 N ATOM 1044 NH2 ARG A 66 -10.921 -11.522 4.718 1.00 74.22 N ATOM 0 H ARG A 66 -4.528 -11.744 2.274 1.00 14.45 H new ATOM 0 HA ARG A 66 -3.976 -9.154 1.279 1.00 35.41 H new ATOM 0 HB2 ARG A 66 -6.366 -8.707 1.668 1.00 24.14 H new ATOM 0 HB3 ARG A 66 -6.088 -10.204 0.800 1.00 24.14 H new ATOM 0 HG2 ARG A 66 -6.605 -11.534 2.752 1.00 20.54 H new ATOM 0 HG3 ARG A 66 -6.605 -10.125 3.793 1.00 20.54 H new ATOM 0 HD2 ARG A 66 -8.591 -9.222 2.679 1.00 30.23 H new ATOM 0 HD3 ARG A 66 -8.538 -10.484 1.463 1.00 30.23 H new ATOM 0 HE ARG A 66 -8.958 -12.109 3.403 1.00 42.15 H new ATOM 0 HH11 ARG A 66 -9.940 -8.756 3.549 1.00 2.24 H new ATOM 0 HH12 ARG A 66 -11.300 -9.104 4.621 1.00 2.24 H new ATOM 0 HH21 ARG A 66 -10.695 -12.517 4.704 1.00 74.22 H new ATOM 0 HH22 ARG A 66 -11.717 -11.188 5.261 1.00 74.22 H new ATOM 1058 N ILE A 67 -4.354 -9.420 4.550 1.00 13.24 N ATOM 1059 CA ILE A 67 -4.117 -8.713 5.811 1.00 73.23 C ATOM 1060 C ILE A 67 -2.665 -8.212 5.896 1.00 73.35 C ATOM 1061 O ILE A 67 -2.410 -7.110 6.379 1.00 2.40 O ATOM 1062 CB ILE A 67 -4.448 -9.604 7.039 1.00 24.33 C ATOM 1063 CG1 ILE A 67 -5.935 -9.999 7.032 1.00 72.11 C ATOM 1064 CG2 ILE A 67 -4.094 -8.895 8.345 1.00 3.34 C ATOM 1065 CD1 ILE A 67 -6.892 -8.822 7.058 1.00 65.33 C ATOM 0 H ILE A 67 -4.587 -10.407 4.655 1.00 13.24 H new ATOM 0 HA ILE A 67 -4.787 -7.853 5.828 1.00 73.23 H new ATOM 0 HB ILE A 67 -3.844 -10.509 6.970 1.00 24.33 H new ATOM 0 HG12 ILE A 67 -6.136 -10.597 6.143 1.00 72.11 H new ATOM 0 HG13 ILE A 67 -6.135 -10.634 7.895 1.00 72.11 H new ATOM 0 HG21 ILE A 67 -4.336 -9.542 9.188 1.00 3.34 H new ATOM 0 HG22 ILE A 67 -3.028 -8.667 8.358 1.00 3.34 H new ATOM 0 HG23 ILE A 67 -4.664 -7.969 8.423 1.00 3.34 H new ATOM 0 HD11 ILE A 67 -7.919 -9.188 7.051 1.00 65.33 H new ATOM 0 HD12 ILE A 67 -6.722 -8.235 7.960 1.00 65.33 H new ATOM 0 HD13 ILE A 67 -6.724 -8.197 6.181 1.00 65.33 H new ATOM 1077 N ASN A 68 -1.721 -9.018 5.404 1.00 51.12 N ATOM 1078 CA ASN A 68 -0.310 -8.611 5.330 1.00 24.12 C ATOM 1079 C ASN A 68 -0.157 -7.268 4.594 1.00 23.03 C ATOM 1080 O ASN A 68 0.337 -6.284 5.157 1.00 31.31 O ATOM 1081 CB ASN A 68 0.519 -9.691 4.617 1.00 70.53 C ATOM 1082 CG ASN A 68 1.976 -9.287 4.433 1.00 11.33 C ATOM 1083 OD1 ASN A 68 2.551 -8.582 5.258 1.00 42.03 O ATOM 1084 ND2 ASN A 68 2.581 -9.718 3.345 1.00 62.54 N ATOM 0 H ASN A 68 -1.905 -9.957 5.050 1.00 51.12 H new ATOM 0 HA ASN A 68 0.057 -8.489 6.349 1.00 24.12 H new ATOM 0 HB2 ASN A 68 0.472 -10.617 5.191 1.00 70.53 H new ATOM 0 HB3 ASN A 68 0.078 -9.898 3.642 1.00 70.53 H new ATOM 0 HD21 ASN A 68 3.554 -9.467 3.169 1.00 62.54 H new ATOM 0 HD22 ASN A 68 2.076 -10.302 2.678 1.00 62.54 H new ATOM 1091 N VAL A 69 -0.601 -7.228 3.339 1.00 2.52 N ATOM 1092 CA VAL A 69 -0.485 -6.016 2.526 1.00 42.02 C ATOM 1093 C VAL A 69 -1.361 -4.868 3.066 1.00 45.24 C ATOM 1094 O VAL A 69 -1.004 -3.699 2.937 1.00 41.32 O ATOM 1095 CB VAL A 69 -0.821 -6.290 1.036 1.00 11.13 C ATOM 1096 CG1 VAL A 69 0.177 -7.283 0.434 1.00 74.32 C ATOM 1097 CG2 VAL A 69 -2.250 -6.801 0.883 1.00 64.42 C ATOM 0 H VAL A 69 -1.042 -8.015 2.864 1.00 2.52 H new ATOM 0 HA VAL A 69 0.557 -5.703 2.592 1.00 42.02 H new ATOM 0 HB VAL A 69 -0.741 -5.349 0.492 1.00 11.13 H new ATOM 0 HG11 VAL A 69 -0.074 -7.463 -0.611 1.00 74.32 H new ATOM 0 HG12 VAL A 69 1.184 -6.871 0.499 1.00 74.32 H new ATOM 0 HG13 VAL A 69 0.133 -8.223 0.985 1.00 74.32 H new ATOM 0 HG21 VAL A 69 -2.460 -6.985 -0.171 1.00 64.42 H new ATOM 0 HG22 VAL A 69 -2.367 -7.728 1.444 1.00 64.42 H new ATOM 0 HG23 VAL A 69 -2.946 -6.055 1.267 1.00 64.42 H new ATOM 1107 N LEU A 70 -2.495 -5.201 3.688 1.00 32.12 N ATOM 1108 CA LEU A 70 -3.377 -4.180 4.277 1.00 73.32 C ATOM 1109 C LEU A 70 -2.749 -3.523 5.518 1.00 5.15 C ATOM 1110 O LEU A 70 -2.853 -2.311 5.700 1.00 44.54 O ATOM 1111 CB LEU A 70 -4.747 -4.777 4.634 1.00 32.42 C ATOM 1112 CG LEU A 70 -5.648 -5.119 3.436 1.00 22.34 C ATOM 1113 CD1 LEU A 70 -6.959 -5.742 3.907 1.00 34.32 C ATOM 1114 CD2 LEU A 70 -5.916 -3.879 2.580 1.00 70.45 C ATOM 0 H LEU A 70 -2.825 -6.160 3.798 1.00 32.12 H new ATOM 0 HA LEU A 70 -3.514 -3.406 3.522 1.00 73.32 H new ATOM 0 HB2 LEU A 70 -4.589 -5.683 5.219 1.00 32.42 H new ATOM 0 HB3 LEU A 70 -5.276 -4.072 5.276 1.00 32.42 H new ATOM 0 HG LEU A 70 -5.124 -5.849 2.818 1.00 22.34 H new ATOM 0 HD11 LEU A 70 -7.581 -5.976 3.043 1.00 34.32 H new ATOM 0 HD12 LEU A 70 -6.749 -6.657 4.461 1.00 34.32 H new ATOM 0 HD13 LEU A 70 -7.485 -5.039 4.553 1.00 34.32 H new ATOM 0 HD21 LEU A 70 -6.556 -4.148 1.739 1.00 70.45 H new ATOM 0 HD22 LEU A 70 -6.412 -3.120 3.185 1.00 70.45 H new ATOM 0 HD23 LEU A 70 -4.972 -3.484 2.205 1.00 70.45 H new ATOM 1126 N ASN A 71 -2.104 -4.319 6.370 1.00 61.33 N ATOM 1127 CA ASN A 71 -1.440 -3.786 7.569 1.00 12.34 C ATOM 1128 C ASN A 71 -0.287 -2.850 7.191 1.00 63.53 C ATOM 1129 O ASN A 71 -0.223 -1.707 7.649 1.00 65.42 O ATOM 1130 CB ASN A 71 -0.907 -4.921 8.452 1.00 41.24 C ATOM 1131 CG ASN A 71 -2.009 -5.747 9.087 1.00 14.42 C ATOM 1132 OD1 ASN A 71 -3.109 -5.264 9.339 1.00 61.10 O ATOM 1133 ND2 ASN A 71 -1.715 -6.998 9.373 1.00 75.14 N ATOM 0 H ASN A 71 -2.025 -5.330 6.258 1.00 61.33 H new ATOM 0 HA ASN A 71 -2.186 -3.221 8.128 1.00 12.34 H new ATOM 0 HB2 ASN A 71 -0.272 -5.573 7.852 1.00 41.24 H new ATOM 0 HB3 ASN A 71 -0.279 -4.499 9.237 1.00 41.24 H new ATOM 0 HD21 ASN A 71 -2.411 -7.597 9.817 1.00 75.14 H new ATOM 0 HD22 ASN A 71 -0.791 -7.369 9.150 1.00 75.14 H new ATOM 1140 N GLN A 72 0.618 -3.337 6.342 1.00 52.53 N ATOM 1141 CA GLN A 72 1.763 -2.534 5.902 1.00 52.25 C ATOM 1142 C GLN A 72 1.296 -1.286 5.128 1.00 3.31 C ATOM 1143 O GLN A 72 1.884 -0.212 5.259 1.00 62.34 O ATOM 1144 CB GLN A 72 2.729 -3.386 5.057 1.00 12.41 C ATOM 1145 CG GLN A 72 2.134 -3.895 3.746 1.00 71.01 C ATOM 1146 CD GLN A 72 3.008 -4.923 3.039 1.00 13.10 C ATOM 1147 OE1 GLN A 72 3.040 -4.994 1.818 1.00 51.15 O ATOM 1148 NE2 GLN A 72 3.693 -5.755 3.798 1.00 21.51 N ATOM 0 H GLN A 72 0.583 -4.277 5.947 1.00 52.53 H new ATOM 0 HA GLN A 72 2.301 -2.191 6.786 1.00 52.25 H new ATOM 0 HB2 GLN A 72 3.617 -2.794 4.834 1.00 12.41 H new ATOM 0 HB3 GLN A 72 3.056 -4.240 5.650 1.00 12.41 H new ATOM 0 HG2 GLN A 72 1.158 -4.337 3.947 1.00 71.01 H new ATOM 0 HG3 GLN A 72 1.970 -3.049 3.078 1.00 71.01 H new ATOM 0 HE21 GLN A 72 3.648 -5.673 4.814 1.00 21.51 H new ATOM 0 HE22 GLN A 72 4.268 -6.480 3.370 1.00 21.51 H new ATOM 1157 N ALA A 73 0.223 -1.426 4.340 1.00 70.43 N ATOM 1158 CA ALA A 73 -0.387 -0.281 3.651 1.00 52.41 C ATOM 1159 C ALA A 73 -0.939 0.735 4.660 1.00 62.45 C ATOM 1160 O ALA A 73 -0.722 1.940 4.525 1.00 60.11 O ATOM 1161 CB ALA A 73 -1.495 -0.747 2.712 1.00 30.11 C ATOM 0 H ALA A 73 -0.240 -2.318 4.164 1.00 70.43 H new ATOM 0 HA ALA A 73 0.388 0.208 3.061 1.00 52.41 H new ATOM 0 HB1 ALA A 73 -1.934 0.116 2.211 1.00 30.11 H new ATOM 0 HB2 ALA A 73 -1.079 -1.426 1.968 1.00 30.11 H new ATOM 0 HB3 ALA A 73 -2.264 -1.264 3.285 1.00 30.11 H new ATOM 1167 N THR A 74 -1.654 0.236 5.675 1.00 55.01 N ATOM 1168 CA THR A 74 -2.175 1.086 6.759 1.00 4.32 C ATOM 1169 C THR A 74 -1.051 1.905 7.403 1.00 32.12 C ATOM 1170 O THR A 74 -1.188 3.112 7.620 1.00 53.31 O ATOM 1171 CB THR A 74 -2.874 0.254 7.871 1.00 25.53 C ATOM 1172 OG1 THR A 74 -3.997 -0.458 7.335 1.00 62.05 O ATOM 1173 CG2 THR A 74 -3.346 1.146 9.020 1.00 4.02 C ATOM 0 H THR A 74 -1.887 -0.752 5.771 1.00 55.01 H new ATOM 0 HA THR A 74 -2.908 1.750 6.300 1.00 4.32 H new ATOM 0 HB THR A 74 -2.141 -0.455 8.256 1.00 25.53 H new ATOM 0 HG1 THR A 74 -3.679 -1.176 6.749 1.00 62.05 H new ATOM 0 HG21 THR A 74 -3.830 0.534 9.781 1.00 4.02 H new ATOM 0 HG22 THR A 74 -2.490 1.659 9.458 1.00 4.02 H new ATOM 0 HG23 THR A 74 -4.055 1.882 8.641 1.00 4.02 H new ATOM 1181 N GLU A 75 0.064 1.237 7.704 1.00 63.15 N ATOM 1182 CA GLU A 75 1.232 1.910 8.275 1.00 11.22 C ATOM 1183 C GLU A 75 1.757 3.018 7.348 1.00 61.00 C ATOM 1184 O GLU A 75 2.062 4.111 7.804 1.00 5.22 O ATOM 1185 CB GLU A 75 2.355 0.908 8.574 1.00 62.22 C ATOM 1186 CG GLU A 75 2.025 -0.087 9.682 1.00 41.22 C ATOM 1187 CD GLU A 75 3.252 -0.848 10.158 1.00 61.14 C ATOM 1188 OE1 GLU A 75 4.111 -0.230 10.824 1.00 31.14 O ATOM 1189 OE2 GLU A 75 3.367 -2.059 9.877 1.00 74.43 O ATOM 0 H GLU A 75 0.183 0.234 7.562 1.00 63.15 H new ATOM 0 HA GLU A 75 0.909 2.369 9.210 1.00 11.22 H new ATOM 0 HB2 GLU A 75 2.587 0.357 7.663 1.00 62.22 H new ATOM 0 HB3 GLU A 75 3.254 1.459 8.851 1.00 62.22 H new ATOM 0 HG2 GLU A 75 1.580 0.444 10.524 1.00 41.22 H new ATOM 0 HG3 GLU A 75 1.279 -0.795 9.321 1.00 41.22 H new ATOM 1196 N VAL A 76 1.862 2.727 6.050 1.00 31.34 N ATOM 1197 CA VAL A 76 2.306 3.730 5.067 1.00 31.11 C ATOM 1198 C VAL A 76 1.374 4.956 5.055 1.00 1.21 C ATOM 1199 O VAL A 76 1.832 6.099 5.065 1.00 62.15 O ATOM 1200 CB VAL A 76 2.384 3.137 3.634 1.00 24.31 C ATOM 1201 CG1 VAL A 76 2.788 4.207 2.623 1.00 3.11 C ATOM 1202 CG2 VAL A 76 3.358 1.960 3.584 1.00 14.34 C ATOM 0 H VAL A 76 1.648 1.812 5.652 1.00 31.34 H new ATOM 0 HA VAL A 76 3.305 4.041 5.374 1.00 31.11 H new ATOM 0 HB VAL A 76 1.392 2.772 3.369 1.00 24.31 H new ATOM 0 HG11 VAL A 76 2.836 3.767 1.627 1.00 3.11 H new ATOM 0 HG12 VAL A 76 2.052 5.011 2.630 1.00 3.11 H new ATOM 0 HG13 VAL A 76 3.766 4.609 2.889 1.00 3.11 H new ATOM 0 HG21 VAL A 76 3.395 1.562 2.570 1.00 14.34 H new ATOM 0 HG22 VAL A 76 4.352 2.297 3.878 1.00 14.34 H new ATOM 0 HG23 VAL A 76 3.022 1.181 4.268 1.00 14.34 H new ATOM 1212 N ILE A 77 0.067 4.703 5.043 1.00 44.52 N ATOM 1213 CA ILE A 77 -0.941 5.772 5.080 1.00 74.45 C ATOM 1214 C ILE A 77 -0.789 6.648 6.339 1.00 73.22 C ATOM 1215 O ILE A 77 -0.692 7.877 6.258 1.00 41.11 O ATOM 1216 CB ILE A 77 -2.374 5.175 5.032 1.00 43.20 C ATOM 1217 CG1 ILE A 77 -2.604 4.445 3.694 1.00 42.42 C ATOM 1218 CG2 ILE A 77 -3.433 6.258 5.248 1.00 13.13 C ATOM 1219 CD1 ILE A 77 -3.960 3.779 3.579 1.00 63.00 C ATOM 0 H ILE A 77 -0.325 3.762 5.008 1.00 44.52 H new ATOM 0 HA ILE A 77 -0.782 6.399 4.203 1.00 74.45 H new ATOM 0 HB ILE A 77 -2.469 4.454 5.844 1.00 43.20 H new ATOM 0 HG12 ILE A 77 -2.491 5.159 2.878 1.00 42.42 H new ATOM 0 HG13 ILE A 77 -1.828 3.690 3.566 1.00 42.42 H new ATOM 0 HG21 ILE A 77 -4.426 5.809 5.209 1.00 13.13 H new ATOM 0 HG22 ILE A 77 -3.284 6.724 6.222 1.00 13.13 H new ATOM 0 HG23 ILE A 77 -3.345 7.013 4.467 1.00 13.13 H new ATOM 0 HD11 ILE A 77 -4.043 3.288 2.609 1.00 63.00 H new ATOM 0 HD12 ILE A 77 -4.070 3.039 4.371 1.00 63.00 H new ATOM 0 HD13 ILE A 77 -4.744 4.531 3.673 1.00 63.00 H new ATOM 1231 N ASN A 78 -0.752 6.004 7.501 1.00 25.11 N ATOM 1232 CA ASN A 78 -0.620 6.711 8.779 1.00 0.54 C ATOM 1233 C ASN A 78 0.779 7.325 8.959 1.00 1.13 C ATOM 1234 O ASN A 78 0.940 8.316 9.673 1.00 53.33 O ATOM 1235 CB ASN A 78 -0.941 5.765 9.938 1.00 13.40 C ATOM 1236 CG ASN A 78 -2.404 5.349 9.941 1.00 44.21 C ATOM 1237 OD1 ASN A 78 -3.279 6.112 9.541 1.00 24.42 O ATOM 1238 ND2 ASN A 78 -2.688 4.144 10.390 1.00 41.34 N ATOM 0 H ASN A 78 -0.812 4.990 7.588 1.00 25.11 H new ATOM 0 HA ASN A 78 -1.335 7.534 8.775 1.00 0.54 H new ATOM 0 HB2 ASN A 78 -0.311 4.878 9.868 1.00 13.40 H new ATOM 0 HB3 ASN A 78 -0.700 6.253 10.882 1.00 13.40 H new ATOM 0 HD21 ASN A 78 -3.656 3.823 10.412 1.00 41.34 H new ATOM 0 HD22 ASN A 78 -1.940 3.532 10.716 1.00 41.34 H new ATOM 1245 N PHE A 79 1.782 6.731 8.316 1.00 2.32 N ATOM 1246 CA PHE A 79 3.151 7.265 8.340 1.00 40.43 C ATOM 1247 C PHE A 79 3.235 8.557 7.517 1.00 25.33 C ATOM 1248 O PHE A 79 3.791 9.559 7.965 1.00 33.32 O ATOM 1249 CB PHE A 79 4.136 6.217 7.797 1.00 41.15 C ATOM 1250 CG PHE A 79 5.588 6.638 7.842 1.00 11.54 C ATOM 1251 CD1 PHE A 79 6.255 6.754 9.056 1.00 42.30 C ATOM 1252 CD2 PHE A 79 6.286 6.914 6.673 1.00 71.32 C ATOM 1253 CE1 PHE A 79 7.585 7.132 9.100 1.00 4.21 C ATOM 1254 CE2 PHE A 79 7.614 7.292 6.715 1.00 31.33 C ATOM 1255 CZ PHE A 79 8.264 7.402 7.929 1.00 50.13 C ATOM 0 H PHE A 79 1.676 5.877 7.769 1.00 2.32 H new ATOM 0 HA PHE A 79 3.420 7.496 9.371 1.00 40.43 H new ATOM 0 HB2 PHE A 79 4.020 5.297 8.369 1.00 41.15 H new ATOM 0 HB3 PHE A 79 3.869 5.987 6.766 1.00 41.15 H new ATOM 0 HD1 PHE A 79 5.729 6.547 9.976 1.00 42.30 H new ATOM 0 HD2 PHE A 79 5.784 6.832 5.720 1.00 71.32 H new ATOM 0 HE1 PHE A 79 8.092 7.216 10.050 1.00 4.21 H new ATOM 0 HE2 PHE A 79 8.145 7.502 5.798 1.00 31.33 H new ATOM 0 HZ PHE A 79 9.302 7.699 7.962 1.00 50.13 H new ATOM 1265 N TRP A 80 2.666 8.525 6.311 1.00 5.34 N ATOM 1266 CA TRP A 80 2.579 9.714 5.454 1.00 61.31 C ATOM 1267 C TRP A 80 1.892 10.870 6.201 1.00 62.23 C ATOM 1268 O TRP A 80 2.371 12.008 6.197 1.00 20.33 O ATOM 1269 CB TRP A 80 1.806 9.372 4.167 1.00 0.11 C ATOM 1270 CG TRP A 80 1.664 10.523 3.211 1.00 71.54 C ATOM 1271 CD1 TRP A 80 2.576 10.940 2.283 1.00 41.24 C ATOM 1272 CD2 TRP A 80 0.538 11.400 3.086 1.00 34.30 C ATOM 1273 NE1 TRP A 80 2.085 12.019 1.591 1.00 43.43 N ATOM 1274 CE2 TRP A 80 0.837 12.322 2.068 1.00 53.22 C ATOM 1275 CE3 TRP A 80 -0.693 11.492 3.740 1.00 60.50 C ATOM 1276 CZ2 TRP A 80 -0.048 13.326 1.691 1.00 1.03 C ATOM 1277 CZ3 TRP A 80 -1.574 12.488 3.363 1.00 24.33 C ATOM 1278 CH2 TRP A 80 -1.248 13.393 2.346 1.00 75.11 C ATOM 0 H TRP A 80 2.256 7.685 5.902 1.00 5.34 H new ATOM 0 HA TRP A 80 3.587 10.032 5.189 1.00 61.31 H new ATOM 0 HB2 TRP A 80 2.313 8.552 3.659 1.00 0.11 H new ATOM 0 HB3 TRP A 80 0.813 9.014 4.437 1.00 0.11 H new ATOM 0 HD1 TRP A 80 3.542 10.487 2.118 1.00 41.24 H new ATOM 0 HE1 TRP A 80 2.570 12.515 0.843 1.00 43.43 H new ATOM 0 HE3 TRP A 80 -0.952 10.798 4.526 1.00 60.50 H new ATOM 0 HZ2 TRP A 80 0.202 14.028 0.909 1.00 1.03 H new ATOM 0 HZ3 TRP A 80 -2.529 12.569 3.861 1.00 24.33 H new ATOM 0 HH2 TRP A 80 -1.958 14.160 2.073 1.00 75.11 H new ATOM 1289 N GLN A 81 0.768 10.560 6.849 1.00 4.51 N ATOM 1290 CA GLN A 81 0.055 11.531 7.686 1.00 60.05 C ATOM 1291 C GLN A 81 0.949 12.027 8.838 1.00 53.21 C ATOM 1292 O GLN A 81 1.046 13.230 9.090 1.00 62.20 O ATOM 1293 CB GLN A 81 -1.226 10.896 8.252 1.00 53.34 C ATOM 1294 CG GLN A 81 -2.020 11.812 9.180 1.00 15.41 C ATOM 1295 CD GLN A 81 -3.240 11.131 9.774 1.00 64.23 C ATOM 1296 OE1 GLN A 81 -3.169 10.506 10.827 1.00 72.43 O ATOM 1297 NE2 GLN A 81 -4.370 11.247 9.108 1.00 42.13 N ATOM 0 H GLN A 81 0.329 9.640 6.811 1.00 4.51 H new ATOM 0 HA GLN A 81 -0.210 12.387 7.066 1.00 60.05 H new ATOM 0 HB2 GLN A 81 -1.866 10.594 7.423 1.00 53.34 H new ATOM 0 HB3 GLN A 81 -0.960 9.989 8.795 1.00 53.34 H new ATOM 0 HG2 GLN A 81 -1.372 12.155 9.987 1.00 15.41 H new ATOM 0 HG3 GLN A 81 -2.336 12.697 8.627 1.00 15.41 H new ATOM 0 HE21 GLN A 81 -4.396 11.774 8.235 1.00 42.13 H new ATOM 0 HE22 GLN A 81 -5.220 10.810 9.465 1.00 42.13 H new ATOM 1306 N ASP A 82 1.613 11.086 9.512 1.00 60.00 N ATOM 1307 CA ASP A 82 2.504 11.397 10.637 1.00 11.43 C ATOM 1308 C ASP A 82 3.616 12.374 10.218 1.00 35.03 C ATOM 1309 O ASP A 82 4.005 13.266 10.982 1.00 12.41 O ATOM 1310 CB ASP A 82 3.106 10.098 11.189 1.00 3.50 C ATOM 1311 CG ASP A 82 3.984 10.329 12.404 1.00 3.20 C ATOM 1312 OD1 ASP A 82 3.516 10.976 13.367 1.00 23.43 O ATOM 1313 OD2 ASP A 82 5.148 9.879 12.400 1.00 2.42 O ATOM 0 H ASP A 82 1.550 10.091 9.297 1.00 60.00 H new ATOM 0 HA ASP A 82 1.919 11.884 11.418 1.00 11.43 H new ATOM 0 HB2 ASP A 82 2.301 9.413 11.453 1.00 3.50 H new ATOM 0 HB3 ASP A 82 3.693 9.614 10.408 1.00 3.50 H new ATOM 1318 N LEU A 83 4.122 12.205 8.999 1.00 0.30 N ATOM 1319 CA LEU A 83 5.125 13.119 8.449 1.00 64.23 C ATOM 1320 C LEU A 83 4.523 14.505 8.185 1.00 63.41 C ATOM 1321 O LEU A 83 5.211 15.522 8.295 1.00 73.22 O ATOM 1322 CB LEU A 83 5.713 12.561 7.146 1.00 30.22 C ATOM 1323 CG LEU A 83 6.357 11.170 7.251 1.00 2.54 C ATOM 1324 CD1 LEU A 83 6.974 10.758 5.918 1.00 10.41 C ATOM 1325 CD2 LEU A 83 7.398 11.129 8.369 1.00 60.41 C ATOM 0 H LEU A 83 3.856 11.445 8.372 1.00 0.30 H new ATOM 0 HA LEU A 83 5.920 13.216 9.188 1.00 64.23 H new ATOM 0 HB2 LEU A 83 4.920 12.519 6.399 1.00 30.22 H new ATOM 0 HB3 LEU A 83 6.462 13.262 6.777 1.00 30.22 H new ATOM 0 HG LEU A 83 5.573 10.454 7.499 1.00 2.54 H new ATOM 0 HD11 LEU A 83 7.424 9.770 6.015 1.00 10.41 H new ATOM 0 HD12 LEU A 83 6.199 10.730 5.152 1.00 10.41 H new ATOM 0 HD13 LEU A 83 7.740 11.479 5.633 1.00 10.41 H new ATOM 0 HD21 LEU A 83 7.837 10.133 8.421 1.00 60.41 H new ATOM 0 HD22 LEU A 83 8.180 11.861 8.165 1.00 60.41 H new ATOM 0 HD23 LEU A 83 6.920 11.364 9.320 1.00 60.41 H new ATOM 1337 N LYS A 84 3.235 14.536 7.841 1.00 33.10 N ATOM 1338 CA LYS A 84 2.543 15.790 7.523 1.00 62.24 C ATOM 1339 C LYS A 84 2.360 16.684 8.764 1.00 5.41 C ATOM 1340 O LYS A 84 2.680 17.872 8.731 1.00 40.12 O ATOM 1341 CB LYS A 84 1.168 15.495 6.905 1.00 73.23 C ATOM 1342 CG LYS A 84 0.360 16.752 6.588 1.00 31.33 C ATOM 1343 CD LYS A 84 0.886 17.485 5.352 1.00 35.51 C ATOM 1344 CE LYS A 84 0.318 16.893 4.067 1.00 24.40 C ATOM 1345 NZ LYS A 84 -1.168 16.979 4.036 1.00 44.22 N ATOM 0 H LYS A 84 2.647 13.705 7.775 1.00 33.10 H new ATOM 0 HA LYS A 84 3.167 16.327 6.809 1.00 62.24 H new ATOM 0 HB2 LYS A 84 1.306 14.921 5.989 1.00 73.23 H new ATOM 0 HB3 LYS A 84 0.597 14.869 7.591 1.00 73.23 H new ATOM 0 HG2 LYS A 84 -0.684 16.480 6.429 1.00 31.33 H new ATOM 0 HG3 LYS A 84 0.387 17.424 7.445 1.00 31.33 H new ATOM 0 HD2 LYS A 84 0.623 18.541 5.415 1.00 35.51 H new ATOM 0 HD3 LYS A 84 1.974 17.428 5.330 1.00 35.51 H new ATOM 0 HE2 LYS A 84 0.732 17.421 3.208 1.00 24.40 H new ATOM 0 HE3 LYS A 84 0.625 15.851 3.979 1.00 24.40 H new ATOM 0 HZ1 LYS A 84 -1.474 17.379 3.126 1.00 44.22 H new ATOM 0 HZ2 LYS A 84 -1.573 16.028 4.150 1.00 44.22 H new ATOM 0 HZ3 LYS A 84 -1.497 17.590 4.811 1.00 44.22 H new ATOM 1359 N ASN A 85 1.851 16.113 9.859 1.00 40.43 N ATOM 1360 CA ASN A 85 1.616 16.893 11.084 1.00 42.32 C ATOM 1361 C ASN A 85 2.936 17.315 11.748 1.00 11.11 C ATOM 1362 O ASN A 85 3.043 18.421 12.286 1.00 43.33 O ATOM 1363 CB ASN A 85 0.737 16.117 12.077 1.00 25.44 C ATOM 1364 CG ASN A 85 1.228 14.706 12.324 1.00 11.33 C ATOM 1365 OD1 ASN A 85 0.774 13.762 11.694 1.00 23.04 O ATOM 1366 ND2 ASN A 85 2.162 14.549 13.237 1.00 22.33 N ATOM 0 H ASN A 85 1.596 15.128 9.926 1.00 40.43 H new ATOM 0 HA ASN A 85 1.084 17.798 10.792 1.00 42.32 H new ATOM 0 HB2 ASN A 85 0.705 16.656 13.024 1.00 25.44 H new ATOM 0 HB3 ASN A 85 -0.284 16.079 11.698 1.00 25.44 H new ATOM 0 HD21 ASN A 85 2.529 13.618 13.437 1.00 22.33 H new ATOM 0 HD22 ASN A 85 2.520 15.358 13.745 1.00 22.33 H new ATOM 1373 N GLN A 86 3.937 16.435 11.710 1.00 52.01 N ATOM 1374 CA GLN A 86 5.271 16.762 12.227 1.00 13.40 C ATOM 1375 C GLN A 86 6.067 17.627 11.237 1.00 63.33 C ATOM 1376 O GLN A 86 7.093 18.207 11.597 1.00 54.32 O ATOM 1377 CB GLN A 86 6.055 15.482 12.546 1.00 23.13 C ATOM 1378 CG GLN A 86 5.539 14.728 13.764 1.00 52.40 C ATOM 1379 CD GLN A 86 6.361 13.488 14.066 1.00 61.32 C ATOM 1380 OE1 GLN A 86 7.349 13.542 14.789 1.00 53.21 O ATOM 1381 NE2 GLN A 86 5.978 12.365 13.501 1.00 35.44 N ATOM 0 H GLN A 86 3.852 15.493 11.328 1.00 52.01 H new ATOM 0 HA GLN A 86 5.132 17.336 13.143 1.00 13.40 H new ATOM 0 HB2 GLN A 86 6.019 14.821 11.680 1.00 23.13 H new ATOM 0 HB3 GLN A 86 7.102 15.740 12.707 1.00 23.13 H new ATOM 0 HG2 GLN A 86 5.552 15.390 14.630 1.00 52.40 H new ATOM 0 HG3 GLN A 86 4.501 14.441 13.598 1.00 52.40 H new ATOM 0 HE21 GLN A 86 5.151 12.351 12.904 1.00 35.44 H new ATOM 0 HE22 GLN A 86 6.508 11.508 13.660 1.00 35.44 H new ATOM 1390 N ASN A 87 5.595 17.698 9.990 1.00 4.41 N ATOM 1391 CA ASN A 87 6.233 18.518 8.949 1.00 0.21 C ATOM 1392 C ASN A 87 7.695 18.103 8.695 1.00 70.22 C ATOM 1393 O ASN A 87 8.521 18.928 8.294 1.00 25.44 O ATOM 1394 CB ASN A 87 6.165 20.004 9.328 1.00 64.35 C ATOM 1395 CG ASN A 87 4.738 20.513 9.434 1.00 21.45 C ATOM 1396 OD1 ASN A 87 4.158 20.988 8.463 1.00 50.55 O ATOM 1397 ND2 ASN A 87 4.161 20.420 10.614 1.00 74.32 N ATOM 0 H ASN A 87 4.767 17.194 9.672 1.00 4.41 H new ATOM 0 HA ASN A 87 5.681 18.353 8.024 1.00 0.21 H new ATOM 0 HB2 ASN A 87 6.673 20.156 10.280 1.00 64.35 H new ATOM 0 HB3 ASN A 87 6.702 20.591 8.583 1.00 64.35 H new ATOM 0 HD21 ASN A 87 3.204 20.748 10.741 1.00 74.32 H new ATOM 0 HD22 ASN A 87 4.671 20.020 11.401 1.00 74.32 H new ATOM 1404 N LYS A 88 8.003 16.818 8.899 1.00 23.34 N ATOM 1405 CA LYS A 88 9.367 16.307 8.678 1.00 34.31 C ATOM 1406 C LYS A 88 9.826 16.546 7.229 1.00 51.11 C ATOM 1407 O LYS A 88 10.958 16.963 6.985 1.00 11.14 O ATOM 1408 CB LYS A 88 9.457 14.803 8.999 1.00 61.02 C ATOM 1409 CG LYS A 88 9.127 14.438 10.447 1.00 12.04 C ATOM 1410 CD LYS A 88 9.442 12.968 10.733 1.00 13.24 C ATOM 1411 CE LYS A 88 8.961 12.527 12.112 1.00 21.01 C ATOM 1412 NZ LYS A 88 9.580 13.311 13.213 1.00 20.51 N ATOM 0 H LYS A 88 7.335 16.115 9.214 1.00 23.34 H new ATOM 0 HA LYS A 88 10.025 16.855 9.352 1.00 34.31 H new ATOM 0 HB2 LYS A 88 8.778 14.263 8.339 1.00 61.02 H new ATOM 0 HB3 LYS A 88 10.465 14.457 8.772 1.00 61.02 H new ATOM 0 HG2 LYS A 88 9.698 15.073 11.124 1.00 12.04 H new ATOM 0 HG3 LYS A 88 8.072 14.631 10.642 1.00 12.04 H new ATOM 0 HD2 LYS A 88 8.974 12.344 9.971 1.00 13.24 H new ATOM 0 HD3 LYS A 88 10.518 12.809 10.658 1.00 13.24 H new ATOM 0 HE2 LYS A 88 7.877 12.629 12.164 1.00 21.01 H new ATOM 0 HE3 LYS A 88 9.189 11.470 12.251 1.00 21.01 H new ATOM 0 HZ1 LYS A 88 10.163 12.682 13.802 1.00 20.51 H new ATOM 0 HZ2 LYS A 88 10.178 14.061 12.811 1.00 20.51 H new ATOM 0 HZ3 LYS A 88 8.833 13.739 13.797 1.00 20.51 H new ATOM 1426 N GLN A 89 8.930 16.271 6.274 1.00 71.41 N ATOM 1427 CA GLN A 89 9.214 16.463 4.841 1.00 31.22 C ATOM 1428 C GLN A 89 10.474 15.693 4.399 1.00 33.52 C ATOM 1429 O GLN A 89 11.271 16.186 3.601 1.00 22.41 O ATOM 1430 CB GLN A 89 9.361 17.964 4.524 1.00 54.21 C ATOM 1431 CG GLN A 89 8.134 18.796 4.897 1.00 2.34 C ATOM 1432 CD GLN A 89 8.290 20.272 4.560 1.00 52.31 C ATOM 1433 OE1 GLN A 89 8.966 20.639 3.605 1.00 20.22 O ATOM 1434 NE2 GLN A 89 7.669 21.132 5.339 1.00 62.21 N ATOM 0 H GLN A 89 7.995 15.912 6.467 1.00 71.41 H new ATOM 0 HA GLN A 89 8.371 16.060 4.279 1.00 31.22 H new ATOM 0 HB2 GLN A 89 10.229 18.355 5.055 1.00 54.21 H new ATOM 0 HB3 GLN A 89 9.559 18.083 3.459 1.00 54.21 H new ATOM 0 HG2 GLN A 89 7.262 18.401 4.376 1.00 2.34 H new ATOM 0 HG3 GLN A 89 7.942 18.691 5.965 1.00 2.34 H new ATOM 0 HE21 GLN A 89 7.113 20.798 6.126 1.00 62.21 H new ATOM 0 HE22 GLN A 89 7.743 22.133 5.155 1.00 62.21 H new ATOM 1443 N ILE A 90 10.624 14.469 4.907 1.00 50.31 N ATOM 1444 CA ILE A 90 11.800 13.634 4.614 1.00 32.32 C ATOM 1445 C ILE A 90 11.826 13.130 3.157 1.00 54.31 C ATOM 1446 O ILE A 90 10.921 13.409 2.362 1.00 12.44 O ATOM 1447 CB ILE A 90 11.875 12.416 5.573 1.00 52.43 C ATOM 1448 CG1 ILE A 90 10.619 11.535 5.436 1.00 3.01 C ATOM 1449 CG2 ILE A 90 12.056 12.882 7.020 1.00 71.01 C ATOM 1450 CD1 ILE A 90 10.646 10.286 6.297 1.00 54.21 C ATOM 0 H ILE A 90 9.945 14.028 5.527 1.00 50.31 H new ATOM 0 HA ILE A 90 12.667 14.277 4.765 1.00 32.32 H new ATOM 0 HB ILE A 90 12.741 11.815 5.296 1.00 52.43 H new ATOM 0 HG12 ILE A 90 9.742 12.127 5.699 1.00 3.01 H new ATOM 0 HG13 ILE A 90 10.505 11.242 4.392 1.00 3.01 H new ATOM 0 HG21 ILE A 90 12.106 12.014 7.678 1.00 71.01 H new ATOM 0 HG22 ILE A 90 12.979 13.456 7.105 1.00 71.01 H new ATOM 0 HG23 ILE A 90 11.212 13.508 7.309 1.00 71.01 H new ATOM 0 HD11 ILE A 90 9.728 9.719 6.145 1.00 54.21 H new ATOM 0 HD12 ILE A 90 11.502 9.671 6.019 1.00 54.21 H new ATOM 0 HD13 ILE A 90 10.728 10.569 7.346 1.00 54.21 H new ATOM 1462 N SER A 91 12.874 12.384 2.817 1.00 24.21 N ATOM 1463 CA SER A 91 13.068 11.872 1.451 1.00 4.50 C ATOM 1464 C SER A 91 12.471 10.469 1.266 1.00 53.33 C ATOM 1465 O SER A 91 12.170 9.767 2.236 1.00 3.20 O ATOM 1466 CB SER A 91 14.565 11.823 1.115 1.00 31.35 C ATOM 1467 OG SER A 91 15.253 10.917 1.966 1.00 51.02 O ATOM 0 H SER A 91 13.610 12.116 3.470 1.00 24.21 H new ATOM 0 HA SER A 91 12.549 12.554 0.778 1.00 4.50 H new ATOM 0 HB2 SER A 91 14.698 11.522 0.076 1.00 31.35 H new ATOM 0 HB3 SER A 91 14.996 12.819 1.216 1.00 31.35 H new ATOM 0 HG SER A 91 16.204 10.904 1.730 1.00 51.02 H new ATOM 1473 N MET A 92 12.318 10.061 0.004 1.00 32.10 N ATOM 1474 CA MET A 92 11.839 8.713 -0.333 1.00 70.31 C ATOM 1475 C MET A 92 12.771 7.631 0.246 1.00 32.42 C ATOM 1476 O MET A 92 12.311 6.589 0.723 1.00 24.15 O ATOM 1477 CB MET A 92 11.715 8.579 -1.862 1.00 74.34 C ATOM 1478 CG MET A 92 11.359 7.180 -2.357 1.00 13.43 C ATOM 1479 SD MET A 92 12.757 6.039 -2.285 1.00 10.21 S ATOM 1480 CE MET A 92 12.036 4.561 -2.998 1.00 52.42 C ATOM 0 H MET A 92 12.519 10.646 -0.807 1.00 32.10 H new ATOM 0 HA MET A 92 10.857 8.565 0.115 1.00 70.31 H new ATOM 0 HB2 MET A 92 10.955 9.277 -2.213 1.00 74.34 H new ATOM 0 HB3 MET A 92 12.659 8.880 -2.316 1.00 74.34 H new ATOM 0 HG2 MET A 92 10.540 6.784 -1.756 1.00 13.43 H new ATOM 0 HG3 MET A 92 10.999 7.243 -3.384 1.00 13.43 H new ATOM 0 HE1 MET A 92 12.770 4.069 -3.636 1.00 52.42 H new ATOM 0 HE2 MET A 92 11.735 3.882 -2.200 1.00 52.42 H new ATOM 0 HE3 MET A 92 11.163 4.832 -3.592 1.00 52.42 H new ATOM 1490 N ALA A 93 14.079 7.895 0.219 1.00 72.53 N ATOM 1491 CA ALA A 93 15.071 6.980 0.798 1.00 55.40 C ATOM 1492 C ALA A 93 14.821 6.760 2.298 1.00 53.53 C ATOM 1493 O ALA A 93 14.957 5.646 2.808 1.00 3.02 O ATOM 1494 CB ALA A 93 16.483 7.513 0.568 1.00 73.10 C ATOM 0 H ALA A 93 14.479 8.736 -0.198 1.00 72.53 H new ATOM 0 HA ALA A 93 14.970 6.017 0.297 1.00 55.40 H new ATOM 0 HB1 ALA A 93 17.207 6.824 1.003 1.00 73.10 H new ATOM 0 HB2 ALA A 93 16.667 7.605 -0.502 1.00 73.10 H new ATOM 0 HB3 ALA A 93 16.584 8.491 1.039 1.00 73.10 H new ATOM 1500 N GLU A 94 14.446 7.828 3.001 1.00 24.31 N ATOM 1501 CA GLU A 94 14.126 7.742 4.431 1.00 74.34 C ATOM 1502 C GLU A 94 12.819 6.970 4.666 1.00 15.23 C ATOM 1503 O GLU A 94 12.664 6.285 5.678 1.00 72.13 O ATOM 1504 CB GLU A 94 14.060 9.145 5.045 1.00 64.34 C ATOM 1505 CG GLU A 94 15.396 9.879 4.993 1.00 21.42 C ATOM 1506 CD GLU A 94 15.316 11.306 5.509 1.00 31.24 C ATOM 1507 OE1 GLU A 94 15.473 11.513 6.730 1.00 24.24 O ATOM 1508 OE2 GLU A 94 15.107 12.223 4.690 1.00 72.21 O ATOM 0 H GLU A 94 14.355 8.764 2.606 1.00 24.31 H new ATOM 0 HA GLU A 94 14.922 7.187 4.927 1.00 74.34 H new ATOM 0 HB2 GLU A 94 13.308 9.732 4.518 1.00 64.34 H new ATOM 0 HB3 GLU A 94 13.734 9.067 6.082 1.00 64.34 H new ATOM 0 HG2 GLU A 94 16.129 9.327 5.581 1.00 21.42 H new ATOM 0 HG3 GLU A 94 15.757 9.891 3.964 1.00 21.42 H new ATOM 1515 N ALA A 95 11.883 7.073 3.722 1.00 51.32 N ATOM 1516 CA ALA A 95 10.666 6.251 3.751 1.00 21.53 C ATOM 1517 C ALA A 95 11.022 4.755 3.675 1.00 70.35 C ATOM 1518 O ALA A 95 10.411 3.919 4.345 1.00 51.13 O ATOM 1519 CB ALA A 95 9.731 6.646 2.613 1.00 33.20 C ATOM 0 H ALA A 95 11.941 7.713 2.930 1.00 51.32 H new ATOM 0 HA ALA A 95 10.149 6.428 4.694 1.00 21.53 H new ATOM 0 HB1 ALA A 95 8.834 6.028 2.648 1.00 33.20 H new ATOM 0 HB2 ALA A 95 9.453 7.695 2.718 1.00 33.20 H new ATOM 0 HB3 ALA A 95 10.237 6.498 1.659 1.00 33.20 H new ATOM 1525 N GLN A 96 12.033 4.433 2.861 1.00 51.03 N ATOM 1526 CA GLN A 96 12.570 3.065 2.773 1.00 55.13 C ATOM 1527 C GLN A 96 13.198 2.616 4.103 1.00 25.01 C ATOM 1528 O GLN A 96 13.427 1.426 4.326 1.00 55.12 O ATOM 1529 CB GLN A 96 13.611 2.973 1.645 1.00 14.12 C ATOM 1530 CG GLN A 96 13.018 3.079 0.245 1.00 3.31 C ATOM 1531 CD GLN A 96 12.216 1.848 -0.147 1.00 41.15 C ATOM 1532 OE1 GLN A 96 12.743 0.910 -0.735 1.00 23.25 O ATOM 1533 NE2 GLN A 96 10.944 1.830 0.187 1.00 62.42 N ATOM 0 H GLN A 96 12.500 5.103 2.250 1.00 51.03 H new ATOM 0 HA GLN A 96 11.737 2.398 2.552 1.00 55.13 H new ATOM 0 HB2 GLN A 96 14.347 3.766 1.778 1.00 14.12 H new ATOM 0 HB3 GLN A 96 14.144 2.026 1.732 1.00 14.12 H new ATOM 0 HG2 GLN A 96 12.376 3.958 0.193 1.00 3.31 H new ATOM 0 HG3 GLN A 96 13.822 3.228 -0.475 1.00 3.31 H new ATOM 0 HE21 GLN A 96 10.534 2.626 0.676 1.00 62.42 H new ATOM 0 HE22 GLN A 96 10.368 1.020 -0.043 1.00 62.42 H new ATOM 1542 N GLY A 97 13.490 3.579 4.977 1.00 43.31 N ATOM 1543 CA GLY A 97 13.987 3.263 6.310 1.00 53.11 C ATOM 1544 C GLY A 97 12.938 2.566 7.172 1.00 40.31 C ATOM 1545 O GLY A 97 13.245 1.631 7.913 1.00 41.32 O ATOM 0 H GLY A 97 13.391 4.576 4.786 1.00 43.31 H new ATOM 0 HA2 GLY A 97 14.866 2.624 6.225 1.00 53.11 H new ATOM 0 HA3 GLY A 97 14.307 4.181 6.803 1.00 53.11 H new ATOM 1549 N LYS A 98 11.692 3.020 7.061 1.00 12.14 N ATOM 1550 CA LYS A 98 10.577 2.417 7.798 1.00 4.31 C ATOM 1551 C LYS A 98 10.021 1.202 7.028 1.00 11.33 C ATOM 1552 O LYS A 98 9.723 0.163 7.618 1.00 24.04 O ATOM 1553 CB LYS A 98 9.465 3.463 8.027 1.00 12.00 C ATOM 1554 CG LYS A 98 8.697 3.311 9.348 1.00 20.41 C ATOM 1555 CD LYS A 98 7.972 1.970 9.469 1.00 24.40 C ATOM 1556 CE LYS A 98 7.227 1.854 10.797 1.00 40.15 C ATOM 1557 NZ LYS A 98 6.628 0.508 10.997 1.00 71.14 N ATOM 0 H LYS A 98 11.426 3.805 6.467 1.00 12.14 H new ATOM 0 HA LYS A 98 10.941 2.075 8.767 1.00 4.31 H new ATOM 0 HB2 LYS A 98 9.910 4.458 7.994 1.00 12.00 H new ATOM 0 HB3 LYS A 98 8.755 3.404 7.202 1.00 12.00 H new ATOM 0 HG2 LYS A 98 9.393 3.418 10.180 1.00 20.41 H new ATOM 0 HG3 LYS A 98 7.971 4.119 9.434 1.00 20.41 H new ATOM 0 HD2 LYS A 98 7.267 1.861 8.645 1.00 24.40 H new ATOM 0 HD3 LYS A 98 8.692 1.157 9.383 1.00 24.40 H new ATOM 0 HE2 LYS A 98 7.914 2.068 11.616 1.00 40.15 H new ATOM 0 HE3 LYS A 98 6.441 2.608 10.836 1.00 40.15 H new ATOM 0 HZ1 LYS A 98 5.592 0.578 10.948 1.00 71.14 H new ATOM 0 HZ2 LYS A 98 6.967 -0.137 10.255 1.00 71.14 H new ATOM 0 HZ3 LYS A 98 6.906 0.139 11.929 1.00 71.14 H new ATOM 1571 N PHE A 99 9.903 1.336 5.702 1.00 41.11 N ATOM 1572 CA PHE A 99 9.320 0.277 4.858 1.00 74.42 C ATOM 1573 C PHE A 99 10.300 -0.205 3.769 1.00 1.23 C ATOM 1574 O PHE A 99 10.108 0.067 2.581 1.00 41.13 O ATOM 1575 CB PHE A 99 8.028 0.785 4.204 1.00 41.22 C ATOM 1576 CG PHE A 99 7.040 1.366 5.180 1.00 41.44 C ATOM 1577 CD1 PHE A 99 6.227 0.541 5.938 1.00 23.31 C ATOM 1578 CD2 PHE A 99 6.929 2.741 5.344 1.00 3.51 C ATOM 1579 CE1 PHE A 99 5.326 1.070 6.838 1.00 52.45 C ATOM 1580 CE2 PHE A 99 6.030 3.275 6.243 1.00 43.22 C ATOM 1581 CZ PHE A 99 5.225 2.438 6.991 1.00 64.42 C ATOM 0 H PHE A 99 10.202 2.164 5.187 1.00 41.11 H new ATOM 0 HA PHE A 99 9.102 -0.573 5.504 1.00 74.42 H new ATOM 0 HB2 PHE A 99 8.281 1.543 3.463 1.00 41.22 H new ATOM 0 HB3 PHE A 99 7.555 -0.038 3.669 1.00 41.22 H new ATOM 0 HD1 PHE A 99 6.299 -0.530 5.823 1.00 23.31 H new ATOM 0 HD2 PHE A 99 7.555 3.400 4.760 1.00 3.51 H new ATOM 0 HE1 PHE A 99 4.699 0.414 7.423 1.00 52.45 H new ATOM 0 HE2 PHE A 99 5.955 4.346 6.362 1.00 43.22 H new ATOM 0 HZ PHE A 99 4.518 2.853 7.694 1.00 64.42 H new ATOM 1591 N PRO A 100 11.360 -0.947 4.150 1.00 74.04 N ATOM 1592 CA PRO A 100 12.352 -1.455 3.183 1.00 25.41 C ATOM 1593 C PRO A 100 11.799 -2.593 2.307 1.00 13.40 C ATOM 1594 O PRO A 100 12.361 -2.918 1.259 1.00 73.12 O ATOM 1595 CB PRO A 100 13.482 -1.969 4.083 1.00 21.44 C ATOM 1596 CG PRO A 100 12.805 -2.340 5.359 1.00 63.31 C ATOM 1597 CD PRO A 100 11.683 -1.346 5.535 1.00 72.43 C ATOM 0 HA PRO A 100 12.662 -0.687 2.475 1.00 25.41 H new ATOM 0 HB2 PRO A 100 13.985 -2.827 3.637 1.00 21.44 H new ATOM 0 HB3 PRO A 100 14.240 -1.203 4.244 1.00 21.44 H new ATOM 0 HG2 PRO A 100 12.421 -3.359 5.316 1.00 63.31 H new ATOM 0 HG3 PRO A 100 13.500 -2.297 6.197 1.00 63.31 H new ATOM 0 HD2 PRO A 100 10.824 -1.794 6.035 1.00 72.43 H new ATOM 0 HD3 PRO A 100 11.993 -0.492 6.137 1.00 72.43 H new ATOM 1605 N GLU A 101 10.698 -3.196 2.747 1.00 14.12 N ATOM 1606 CA GLU A 101 10.075 -4.308 2.019 1.00 44.45 C ATOM 1607 C GLU A 101 8.887 -3.830 1.165 1.00 73.12 C ATOM 1608 O GLU A 101 8.179 -4.636 0.564 1.00 74.25 O ATOM 1609 CB GLU A 101 9.631 -5.394 3.011 1.00 62.04 C ATOM 1610 CG GLU A 101 10.749 -5.841 3.951 1.00 30.42 C ATOM 1611 CD GLU A 101 10.367 -7.030 4.817 1.00 23.40 C ATOM 1612 OE1 GLU A 101 9.595 -6.851 5.784 1.00 15.32 O ATOM 1613 OE2 GLU A 101 10.846 -8.149 4.540 1.00 11.10 O ATOM 0 H GLU A 101 10.214 -2.935 3.606 1.00 14.12 H new ATOM 0 HA GLU A 101 10.815 -4.728 1.337 1.00 44.45 H new ATOM 0 HB2 GLU A 101 8.796 -5.018 3.602 1.00 62.04 H new ATOM 0 HB3 GLU A 101 9.265 -6.257 2.455 1.00 62.04 H new ATOM 0 HG2 GLU A 101 11.629 -6.098 3.361 1.00 30.42 H new ATOM 0 HG3 GLU A 101 11.029 -5.007 4.594 1.00 30.42 H new ATOM 1620 N VAL A 102 8.684 -2.510 1.109 1.00 61.25 N ATOM 1621 CA VAL A 102 7.624 -1.916 0.283 1.00 53.03 C ATOM 1622 C VAL A 102 8.229 -1.108 -0.877 1.00 34.51 C ATOM 1623 O VAL A 102 9.161 -0.324 -0.682 1.00 14.01 O ATOM 1624 CB VAL A 102 6.694 -1.000 1.125 1.00 13.04 C ATOM 1625 CG1 VAL A 102 5.629 -0.341 0.248 1.00 22.44 C ATOM 1626 CG2 VAL A 102 6.045 -1.789 2.262 1.00 31.50 C ATOM 0 H VAL A 102 9.240 -1.830 1.627 1.00 61.25 H new ATOM 0 HA VAL A 102 7.029 -2.735 -0.120 1.00 53.03 H new ATOM 0 HB VAL A 102 7.306 -0.210 1.560 1.00 13.04 H new ATOM 0 HG11 VAL A 102 4.993 0.294 0.864 1.00 22.44 H new ATOM 0 HG12 VAL A 102 6.113 0.264 -0.519 1.00 22.44 H new ATOM 0 HG13 VAL A 102 5.022 -1.111 -0.227 1.00 22.44 H new ATOM 0 HG21 VAL A 102 5.398 -1.129 2.840 1.00 31.50 H new ATOM 0 HG22 VAL A 102 5.454 -2.605 1.847 1.00 31.50 H new ATOM 0 HG23 VAL A 102 6.820 -2.196 2.911 1.00 31.50 H new ATOM 1636 N VAL A 103 7.694 -1.298 -2.082 1.00 10.25 N ATOM 1637 CA VAL A 103 8.240 -0.652 -3.286 1.00 31.42 C ATOM 1638 C VAL A 103 7.584 0.716 -3.551 1.00 13.24 C ATOM 1639 O VAL A 103 6.436 0.793 -3.989 1.00 71.41 O ATOM 1640 CB VAL A 103 8.061 -1.553 -4.537 1.00 61.14 C ATOM 1641 CG1 VAL A 103 8.697 -0.911 -5.772 1.00 35.53 C ATOM 1642 CG2 VAL A 103 8.642 -2.946 -4.288 1.00 55.02 C ATOM 0 H VAL A 103 6.884 -1.893 -2.256 1.00 10.25 H new ATOM 0 HA VAL A 103 9.303 -0.499 -3.100 1.00 31.42 H new ATOM 0 HB VAL A 103 6.993 -1.658 -4.727 1.00 61.14 H new ATOM 0 HG11 VAL A 103 8.557 -1.563 -6.634 1.00 35.53 H new ATOM 0 HG12 VAL A 103 8.225 0.052 -5.965 1.00 35.53 H new ATOM 0 HG13 VAL A 103 9.763 -0.764 -5.598 1.00 35.53 H new ATOM 0 HG21 VAL A 103 8.506 -3.561 -5.177 1.00 55.02 H new ATOM 0 HG22 VAL A 103 9.705 -2.862 -4.064 1.00 55.02 H new ATOM 0 HG23 VAL A 103 8.129 -3.409 -3.445 1.00 55.02 H new ATOM 1652 N PHE A 104 8.319 1.794 -3.290 1.00 51.31 N ATOM 1653 CA PHE A 104 7.810 3.155 -3.514 1.00 22.03 C ATOM 1654 C PHE A 104 8.170 3.668 -4.918 1.00 1.14 C ATOM 1655 O PHE A 104 9.314 3.549 -5.362 1.00 41.33 O ATOM 1656 CB PHE A 104 8.363 4.118 -2.453 1.00 31.34 C ATOM 1657 CG PHE A 104 7.791 3.911 -1.070 1.00 2.34 C ATOM 1658 CD1 PHE A 104 8.134 2.800 -0.318 1.00 11.15 C ATOM 1659 CD2 PHE A 104 6.913 4.838 -0.522 1.00 3.40 C ATOM 1660 CE1 PHE A 104 7.618 2.613 0.951 1.00 14.44 C ATOM 1661 CE2 PHE A 104 6.394 4.656 0.747 1.00 45.55 C ATOM 1662 CZ PHE A 104 6.746 3.542 1.484 1.00 10.00 C ATOM 0 H PHE A 104 9.270 1.757 -2.923 1.00 51.31 H new ATOM 0 HA PHE A 104 6.724 3.115 -3.433 1.00 22.03 H new ATOM 0 HB2 PHE A 104 9.446 4.006 -2.406 1.00 31.34 H new ATOM 0 HB3 PHE A 104 8.162 5.142 -2.768 1.00 31.34 H new ATOM 0 HD1 PHE A 104 8.815 2.069 -0.729 1.00 11.15 H new ATOM 0 HD2 PHE A 104 6.633 5.711 -1.093 1.00 3.40 H new ATOM 0 HE1 PHE A 104 7.896 1.741 1.525 1.00 14.44 H new ATOM 0 HE2 PHE A 104 5.713 5.385 1.162 1.00 45.55 H new ATOM 0 HZ PHE A 104 6.340 3.398 2.474 1.00 10.00 H new ATOM 1672 N SER A 105 7.188 4.246 -5.611 1.00 64.31 N ATOM 1673 CA SER A 105 7.413 4.825 -6.944 1.00 23.15 C ATOM 1674 C SER A 105 7.573 6.347 -6.862 1.00 3.41 C ATOM 1675 O SER A 105 7.126 6.979 -5.900 1.00 63.50 O ATOM 1676 CB SER A 105 6.255 4.491 -7.896 1.00 31.03 C ATOM 1677 OG SER A 105 6.526 4.969 -9.207 1.00 53.45 O ATOM 0 H SER A 105 6.228 4.328 -5.275 1.00 64.31 H new ATOM 0 HA SER A 105 8.332 4.388 -7.334 1.00 23.15 H new ATOM 0 HB2 SER A 105 6.099 3.413 -7.922 1.00 31.03 H new ATOM 0 HB3 SER A 105 5.333 4.937 -7.525 1.00 31.03 H new ATOM 0 HG SER A 105 5.729 5.414 -9.564 1.00 53.45 H new ATOM 1683 N GLY A 106 8.197 6.929 -7.885 1.00 3.25 N ATOM 1684 CA GLY A 106 8.479 8.363 -7.891 1.00 35.00 C ATOM 1685 C GLY A 106 7.962 9.084 -9.137 1.00 53.10 C ATOM 1686 O GLY A 106 6.754 9.187 -9.353 1.00 41.43 O ATOM 0 H GLY A 106 8.516 6.432 -8.717 1.00 3.25 H new ATOM 0 HA2 GLY A 106 8.031 8.817 -7.007 1.00 35.00 H new ATOM 0 HA3 GLY A 106 9.556 8.513 -7.815 1.00 35.00 H new ATOM 1690 N SER A 107 8.885 9.577 -9.968 1.00 14.00 N ATOM 1691 CA SER A 107 8.537 10.395 -11.150 1.00 63.52 C ATOM 1692 C SER A 107 7.996 9.566 -12.330 1.00 2.52 C ATOM 1693 O SER A 107 8.236 9.900 -13.493 1.00 24.20 O ATOM 1694 CB SER A 107 9.767 11.192 -11.607 1.00 63.42 C ATOM 1695 OG SER A 107 10.209 12.079 -10.588 1.00 51.11 O ATOM 0 H SER A 107 9.887 9.427 -9.849 1.00 14.00 H new ATOM 0 HA SER A 107 7.735 11.065 -10.840 1.00 63.52 H new ATOM 0 HB2 SER A 107 10.572 10.506 -11.870 1.00 63.42 H new ATOM 0 HB3 SER A 107 9.524 11.758 -12.506 1.00 63.42 H new ATOM 0 HG SER A 107 10.994 12.574 -10.903 1.00 51.11 H new ATOM 1701 N ASN A 108 7.237 8.511 -12.035 1.00 53.33 N ATOM 1702 CA ASN A 108 6.637 7.671 -13.077 1.00 45.02 C ATOM 1703 C ASN A 108 5.332 7.032 -12.570 1.00 4.35 C ATOM 1704 O ASN A 108 5.304 6.422 -11.501 1.00 63.41 O ATOM 1705 CB ASN A 108 7.634 6.588 -13.522 1.00 1.32 C ATOM 1706 CG ASN A 108 7.182 5.861 -14.777 1.00 52.44 C ATOM 1707 OD1 ASN A 108 6.517 4.834 -14.716 1.00 63.42 O ATOM 1708 ND2 ASN A 108 7.542 6.392 -15.927 1.00 21.02 N ATOM 0 H ASN A 108 7.022 8.216 -11.083 1.00 53.33 H new ATOM 0 HA ASN A 108 6.397 8.297 -13.936 1.00 45.02 H new ATOM 0 HB2 ASN A 108 8.607 7.046 -13.702 1.00 1.32 H new ATOM 0 HB3 ASN A 108 7.766 5.867 -12.716 1.00 1.32 H new ATOM 0 HD21 ASN A 108 7.267 5.947 -16.803 1.00 21.02 H new ATOM 0 HD22 ASN A 108 8.096 7.248 -15.942 1.00 21.02 H new ATOM 1715 N LEU A 109 4.251 7.177 -13.339 1.00 51.54 N ATOM 1716 CA LEU A 109 2.938 6.676 -12.917 1.00 73.13 C ATOM 1717 C LEU A 109 2.119 6.132 -14.103 1.00 3.02 C ATOM 1718 O LEU A 109 2.481 6.321 -15.266 1.00 70.53 O ATOM 1719 CB LEU A 109 2.147 7.754 -12.122 1.00 41.31 C ATOM 1720 CG LEU A 109 1.835 9.112 -12.813 1.00 64.31 C ATOM 1721 CD1 LEU A 109 3.098 9.804 -13.326 1.00 72.13 C ATOM 1722 CD2 LEU A 109 0.807 8.958 -13.933 1.00 43.40 C ATOM 0 H LEU A 109 4.256 7.634 -14.251 1.00 51.54 H new ATOM 0 HA LEU A 109 3.117 5.837 -12.244 1.00 73.13 H new ATOM 0 HB2 LEU A 109 1.198 7.311 -11.819 1.00 41.31 H new ATOM 0 HB3 LEU A 109 2.704 7.968 -11.210 1.00 41.31 H new ATOM 0 HG LEU A 109 1.400 9.753 -12.046 1.00 64.31 H new ATOM 0 HD11 LEU A 109 2.829 10.748 -13.800 1.00 72.13 H new ATOM 0 HD12 LEU A 109 3.772 9.997 -12.491 1.00 72.13 H new ATOM 0 HD13 LEU A 109 3.595 9.162 -14.053 1.00 72.13 H new ATOM 0 HD21 LEU A 109 0.618 9.930 -14.389 1.00 43.40 H new ATOM 0 HD22 LEU A 109 1.191 8.272 -14.688 1.00 43.40 H new ATOM 0 HD23 LEU A 109 -0.122 8.563 -13.522 1.00 43.40 H new ATOM 1734 N GLU A 110 0.999 5.485 -13.786 1.00 21.24 N ATOM 1735 CA GLU A 110 0.194 4.745 -14.773 1.00 23.21 C ATOM 1736 C GLU A 110 -0.351 5.609 -15.925 1.00 14.43 C ATOM 1737 O GLU A 110 0.003 5.396 -17.086 1.00 23.13 O ATOM 1738 CB GLU A 110 -1.001 4.067 -14.081 1.00 4.32 C ATOM 1739 CG GLU A 110 -0.628 3.007 -13.054 1.00 2.33 C ATOM 1740 CD GLU A 110 -1.860 2.393 -12.408 1.00 52.12 C ATOM 1741 OE1 GLU A 110 -2.492 1.515 -13.034 1.00 45.43 O ATOM 1742 OE2 GLU A 110 -2.229 2.814 -11.296 1.00 63.23 O ATOM 0 H GLU A 110 0.619 5.455 -12.840 1.00 21.24 H new ATOM 0 HA GLU A 110 0.878 4.016 -15.208 1.00 23.21 H new ATOM 0 HB2 GLU A 110 -1.601 4.833 -13.590 1.00 4.32 H new ATOM 0 HB3 GLU A 110 -1.631 3.608 -14.843 1.00 4.32 H new ATOM 0 HG2 GLU A 110 -0.041 2.225 -13.535 1.00 2.33 H new ATOM 0 HG3 GLU A 110 0.003 3.452 -12.285 1.00 2.33 H new ATOM 1749 N HIS A 111 -1.233 6.564 -15.589 1.00 31.32 N ATOM 1750 CA HIS A 111 -2.137 7.210 -16.568 1.00 64.31 C ATOM 1751 C HIS A 111 -3.252 6.229 -16.986 1.00 70.14 C ATOM 1752 O HIS A 111 -4.412 6.614 -17.134 1.00 65.30 O ATOM 1753 CB HIS A 111 -1.390 7.735 -17.804 1.00 22.02 C ATOM 1754 CG HIS A 111 -0.461 8.873 -17.518 1.00 43.11 C ATOM 1755 ND1 HIS A 111 0.913 8.752 -17.533 1.00 64.23 N ATOM 1756 CD2 HIS A 111 -0.717 10.172 -17.232 1.00 30.44 C ATOM 1757 CE1 HIS A 111 1.459 9.921 -17.269 1.00 50.21 C ATOM 1758 NE2 HIS A 111 0.495 10.796 -17.084 1.00 44.11 N ATOM 0 H HIS A 111 -1.343 6.912 -14.637 1.00 31.32 H new ATOM 0 HA HIS A 111 -2.580 8.076 -16.077 1.00 64.31 H new ATOM 0 HB2 HIS A 111 -0.821 6.917 -18.246 1.00 22.02 H new ATOM 0 HB3 HIS A 111 -2.120 8.054 -18.548 1.00 22.02 H new ATOM 0 HD2 HIS A 111 -1.691 10.629 -17.138 1.00 30.44 H new ATOM 0 HE1 HIS A 111 2.518 10.126 -17.214 1.00 50.21 H new ATOM 0 HE2 HIS A 111 0.628 11.783 -16.865 1.00 44.11 H new ATOM 1767 N HIS A 112 -2.867 4.966 -17.193 1.00 45.21 N ATOM 1768 CA HIS A 112 -3.803 3.838 -17.330 1.00 30.25 C ATOM 1769 C HIS A 112 -5.002 3.965 -16.366 1.00 4.23 C ATOM 1770 O HIS A 112 -4.830 4.295 -15.191 1.00 74.20 O ATOM 1771 CB HIS A 112 -3.021 2.539 -17.059 1.00 24.14 C ATOM 1772 CG HIS A 112 -3.859 1.329 -16.756 1.00 14.40 C ATOM 1773 ND1 HIS A 112 -3.989 0.809 -15.483 1.00 21.34 N ATOM 1774 CD2 HIS A 112 -4.580 0.512 -17.563 1.00 62.42 C ATOM 1775 CE1 HIS A 112 -4.746 -0.267 -15.523 1.00 34.13 C ATOM 1776 NE2 HIS A 112 -5.119 -0.472 -16.769 1.00 24.42 N ATOM 0 H HIS A 112 -1.888 4.692 -17.271 1.00 45.21 H new ATOM 0 HA HIS A 112 -4.217 3.832 -18.338 1.00 30.25 H new ATOM 0 HB2 HIS A 112 -2.401 2.321 -17.929 1.00 24.14 H new ATOM 0 HB3 HIS A 112 -2.346 2.711 -16.221 1.00 24.14 H new ATOM 0 HD1 HIS A 112 -3.564 1.199 -14.642 1.00 21.34 H new ATOM 0 HD2 HIS A 112 -4.707 0.615 -18.631 1.00 62.42 H new ATOM 0 HE1 HIS A 112 -5.016 -0.879 -14.675 1.00 34.13 H new ATOM 1785 N HIS A 113 -6.209 3.690 -16.869 1.00 5.24 N ATOM 1786 CA HIS A 113 -7.440 3.856 -16.081 1.00 4.24 C ATOM 1787 C HIS A 113 -7.441 3.010 -14.796 1.00 14.20 C ATOM 1788 O HIS A 113 -6.981 1.865 -14.779 1.00 35.13 O ATOM 1789 CB HIS A 113 -8.675 3.505 -16.925 1.00 72.44 C ATOM 1790 CG HIS A 113 -8.986 4.508 -17.995 1.00 71.24 C ATOM 1791 ND1 HIS A 113 -9.888 5.531 -17.816 1.00 64.21 N ATOM 1792 CD2 HIS A 113 -8.529 4.636 -19.265 1.00 20.11 C ATOM 1793 CE1 HIS A 113 -9.978 6.239 -18.921 1.00 33.44 C ATOM 1794 NE2 HIS A 113 -9.165 5.721 -19.821 1.00 52.03 N ATOM 0 H HIS A 113 -6.363 3.351 -17.819 1.00 5.24 H new ATOM 0 HA HIS A 113 -7.478 4.905 -15.787 1.00 4.24 H new ATOM 0 HB2 HIS A 113 -8.521 2.530 -17.388 1.00 72.44 H new ATOM 0 HB3 HIS A 113 -9.538 3.412 -16.266 1.00 72.44 H new ATOM 0 HD2 HIS A 113 -7.801 4.003 -19.750 1.00 20.11 H new ATOM 0 HE1 HIS A 113 -10.612 7.101 -19.067 1.00 33.44 H new ATOM 0 HE2 HIS A 113 -9.030 6.067 -20.771 1.00 52.03 H new ATOM 1803 N HIS A 114 -7.960 3.598 -13.721 1.00 11.51 N ATOM 1804 CA HIS A 114 -8.146 2.896 -12.451 1.00 71.34 C ATOM 1805 C HIS A 114 -9.609 2.444 -12.323 1.00 34.13 C ATOM 1806 O HIS A 114 -10.488 3.247 -12.012 1.00 74.30 O ATOM 1807 CB HIS A 114 -7.750 3.809 -11.279 1.00 74.34 C ATOM 1808 CG HIS A 114 -6.307 4.229 -11.308 1.00 62.23 C ATOM 1809 ND1 HIS A 114 -5.387 4.187 -12.302 1.00 15.15 N flip ATOM 1810 CD2 HIS A 114 -5.650 4.743 -10.216 1.00 35.33 C flip ATOM 1811 CE1 HIS A 114 -4.206 4.668 -11.795 1.00 1.11 C flip ATOM 1812 NE2 HIS A 114 -4.399 4.999 -10.537 1.00 52.42 N flip ATOM 0 H HIS A 114 -8.263 4.572 -13.704 1.00 11.51 H new ATOM 0 HA HIS A 114 -7.505 2.015 -12.426 1.00 71.34 H new ATOM 0 HB2 HIS A 114 -8.380 4.699 -11.293 1.00 74.34 H new ATOM 0 HB3 HIS A 114 -7.951 3.291 -10.341 1.00 74.34 H new ATOM 0 HD1 HIS A 114 -5.544 3.858 -13.254 1.00 15.15 H new ATOM 0 HD2 HIS A 114 -6.091 4.911 -9.245 1.00 35.33 H new ATOM 0 HE1 HIS A 114 -3.276 4.759 -12.337 1.00 1.11 H new ATOM 1821 N HIS A 115 -9.851 1.161 -12.584 1.00 12.35 N ATOM 1822 CA HIS A 115 -11.211 0.616 -12.719 1.00 61.43 C ATOM 1823 C HIS A 115 -12.154 1.009 -11.569 1.00 75.13 C ATOM 1824 O HIS A 115 -11.987 0.565 -10.433 1.00 42.44 O ATOM 1825 CB HIS A 115 -11.156 -0.912 -12.823 1.00 21.14 C ATOM 1826 CG HIS A 115 -12.476 -1.529 -13.173 1.00 40.53 C ATOM 1827 ND1 HIS A 115 -13.505 -1.682 -12.268 1.00 31.13 N ATOM 1828 CD2 HIS A 115 -12.941 -2.014 -14.349 1.00 32.35 C ATOM 1829 CE1 HIS A 115 -14.540 -2.232 -12.871 1.00 41.22 C ATOM 1830 NE2 HIS A 115 -14.225 -2.443 -14.133 1.00 44.32 N ATOM 0 H HIS A 115 -9.115 0.466 -12.709 1.00 12.35 H new ATOM 0 HA HIS A 115 -11.621 1.054 -13.629 1.00 61.43 H new ATOM 0 HB2 HIS A 115 -10.420 -1.192 -13.577 1.00 21.14 H new ATOM 0 HB3 HIS A 115 -10.811 -1.322 -11.874 1.00 21.14 H new ATOM 0 HD2 HIS A 115 -12.401 -2.055 -15.283 1.00 32.35 H new ATOM 0 HE1 HIS A 115 -15.487 -2.470 -12.409 1.00 41.22 H new ATOM 0 HE2 HIS A 115 -14.837 -2.858 -14.835 1.00 44.32 H new ATOM 1839 N HIS A 116 -13.149 1.833 -11.886 1.00 64.32 N ATOM 1840 CA HIS A 116 -14.243 2.144 -10.955 1.00 5.40 C ATOM 1841 C HIS A 116 -15.592 1.676 -11.537 1.00 40.32 C ATOM 1842 O HIS A 116 -16.208 2.442 -12.316 1.00 37.86 O ATOM 1843 CB HIS A 116 -14.299 3.652 -10.656 1.00 20.20 C ATOM 1844 CG HIS A 116 -13.070 4.194 -9.991 1.00 52.13 C ATOM 1845 ND1 HIS A 116 -12.664 3.811 -8.729 1.00 1.34 N ATOM 1846 CD2 HIS A 116 -12.161 5.106 -10.411 1.00 52.12 C ATOM 1847 CE1 HIS A 116 -11.568 4.461 -8.404 1.00 64.44 C ATOM 1848 NE2 HIS A 116 -11.238 5.255 -9.404 1.00 2.23 N ATOM 1849 OXT HIS A 116 -16.016 0.538 -11.239 1.00 37.86 O ATOM 0 H HIS A 116 -13.225 2.304 -12.788 1.00 64.32 H new ATOM 0 HA HIS A 116 -14.052 1.613 -10.023 1.00 5.40 H new ATOM 0 HB2 HIS A 116 -14.460 4.190 -11.590 1.00 20.20 H new ATOM 0 HB3 HIS A 116 -15.161 3.853 -10.020 1.00 20.20 H new ATOM 0 HD2 HIS A 116 -12.162 5.620 -11.361 1.00 52.12 H new ATOM 0 HE1 HIS A 116 -11.028 4.361 -7.474 1.00 64.44 H new ATOM 0 HE2 HIS A 116 -10.430 5.877 -9.426 1.00 2.23 H new TER 1858 HIS A 116