USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 834 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 6 ASN : amide:sc= -0.236 X(o=-0.016,f=-0.055) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.22 X(o=-0.016,f=-0.055) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.429 K(o=1.3,f=-3.8) USER MOD Set 2.2: A 86 TYR OH : rot 60:sc= 0.874 USER MOD Set 3.1: A 74 HIS : no HE2:sc= 0.814 K(o=0.15,f=-6!) USER MOD Set 3.2: A 96 MET CE :methyl -120:sc= -0.669 (180deg=-1.33!) USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.862 K(o=1.9,f=-1.3) USER MOD Set 4.2: A 50 TYR OH : rot 142:sc= 1.02 USER MOD Set 5.1: A 14 HIS : no HE2:sc= 0.877 K(o=1.6,f=-5!) USER MOD Set 5.2: A 15 ASN : amide:sc= 0.772 K(o=1.6,f=-0.92) USER MOD Set 6.1: A 9 HIS : no HE2:sc= 0.0649 K(o=0.11,f=-8.7!) USER MOD Set 6.2: A 20 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 1 MET CE :methyl 154:sc=-0.00817 (180deg=-0.505) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -108:sc= 1.89 (180deg=-0.266) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0041) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 1.21 (180deg=0.928) USER MOD Single : A 19 SER OG : rot 180:sc= -0.112 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.69) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -65:sc= 0.165 USER MOD Single : A 31 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.29) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 33 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 35 MET CE :methyl -149:sc= -0.368 (180deg=-3.21!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0198) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0258) USER MOD Single : A 43 SER OG : rot 73:sc= 0.721 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -76:sc= 1.32 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -74:sc= -1.83 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.366 (180deg=-0.576) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= 1.17 (180deg=1.07) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.18) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 1.22 (180deg=-0.504) USER MOD Single : A 81 SER OG : rot 165:sc= 1.36 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 2.36 (180deg=-0.169) USER MOD Single : A 97 ASN : amide:sc= -0.0378 K(o=-0.038,f=-0.92) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 104 SER OG : rot 89:sc= 1.23 USER MOD Single : A 105 SER OG : rot 67:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.001 -12.997 -17.743 1.00 1.74 N ATOM 2 CA MET A 1 -8.561 -11.623 -18.105 1.00 1.02 C ATOM 3 C MET A 1 -8.780 -10.679 -16.917 1.00 0.87 C ATOM 4 O MET A 1 -9.718 -9.881 -16.907 1.00 1.29 O ATOM 5 CB MET A 1 -9.318 -11.122 -19.348 1.00 1.60 C ATOM 6 CG MET A 1 -8.831 -9.747 -19.818 1.00 2.33 C ATOM 7 SD MET A 1 -7.037 -9.574 -19.767 1.00 3.31 S ATOM 8 CE MET A 1 -6.830 -7.939 -20.493 1.00 4.33 C ATOM 0 H1 MET A 1 -8.851 -13.634 -18.551 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.449 -13.335 -16.929 1.00 1.74 H new ATOM 0 H3 MET A 1 -10.011 -12.984 -17.495 1.00 1.74 H new ATOM 0 HA MET A 1 -7.498 -11.643 -18.346 1.00 1.02 H new ATOM 0 HB2 MET A 1 -9.198 -11.842 -20.157 1.00 1.60 H new ATOM 0 HB3 MET A 1 -10.383 -11.069 -19.124 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.177 -9.575 -20.837 1.00 2.33 H new ATOM 0 HG3 MET A 1 -9.282 -8.976 -19.193 1.00 2.33 H new ATOM 0 HE1 MET A 1 -5.902 -7.495 -20.132 1.00 4.33 H new ATOM 0 HE2 MET A 1 -6.792 -8.025 -21.579 1.00 4.33 H new ATOM 0 HE3 MET A 1 -7.670 -7.306 -20.208 1.00 4.33 H new ATOM 20 N GLU A 2 -7.900 -10.776 -15.921 1.00 0.51 N ATOM 21 CA GLU A 2 -7.963 -9.940 -14.709 1.00 0.37 C ATOM 22 C GLU A 2 -7.518 -8.507 -15.032 1.00 0.34 C ATOM 23 O GLU A 2 -6.577 -8.306 -15.807 1.00 0.48 O ATOM 24 CB GLU A 2 -7.049 -10.528 -13.616 1.00 0.53 C ATOM 25 CG GLU A 2 -7.751 -11.609 -12.789 1.00 0.96 C ATOM 26 CD GLU A 2 -8.341 -12.701 -13.676 1.00 1.61 C ATOM 27 OE1 GLU A 2 -7.569 -13.390 -14.372 1.00 2.09 O ATOM 28 OE2 GLU A 2 -9.577 -12.880 -13.674 1.00 2.16 O ATOM 0 H GLU A 2 -7.121 -11.434 -15.926 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.992 -9.923 -14.349 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.158 -10.950 -14.080 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.716 -9.728 -12.955 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.041 -12.051 -12.090 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.544 -11.155 -12.194 1.00 0.96 H new ATOM 35 N GLY A 3 -8.184 -7.515 -14.441 1.00 0.25 N ATOM 36 CA GLY A 3 -7.834 -6.112 -14.679 1.00 0.28 C ATOM 37 C GLY A 3 -8.879 -5.156 -14.113 1.00 0.22 C ATOM 38 O GLY A 3 -9.866 -5.569 -13.493 1.00 0.22 O ATOM 0 H GLY A 3 -8.964 -7.654 -13.798 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.865 -5.899 -14.227 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.730 -5.942 -15.751 1.00 0.28 H new ATOM 42 N PHE A 4 -8.644 -3.863 -14.341 1.00 0.24 N ATOM 43 CA PHE A 4 -9.533 -2.794 -13.874 1.00 0.21 C ATOM 44 C PHE A 4 -10.748 -2.644 -14.793 1.00 0.22 C ATOM 45 O PHE A 4 -10.672 -2.892 -15.996 1.00 0.27 O ATOM 46 CB PHE A 4 -8.773 -1.459 -13.825 1.00 0.23 C ATOM 47 CG PHE A 4 -8.164 -1.162 -12.473 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.984 -0.895 -11.389 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.787 -1.142 -12.317 1.00 0.34 C ATOM 50 CE1 PHE A 4 -8.429 -0.608 -10.155 1.00 0.37 C ATOM 51 CE2 PHE A 4 -6.231 -0.856 -11.080 1.00 0.41 C ATOM 52 CZ PHE A 4 -7.054 -0.586 -10.000 1.00 0.41 C ATOM 0 H PHE A 4 -7.831 -3.525 -14.856 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.879 -3.062 -12.875 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.983 -1.472 -14.576 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.455 -0.652 -14.093 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -10.057 -0.911 -11.507 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.146 -1.350 -13.161 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -9.070 -0.401 -9.311 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -5.158 -0.844 -10.959 1.00 0.41 H new ATOM 0 HZ PHE A 4 -6.623 -0.358 -9.036 1.00 0.41 H new ATOM 62 N LEU A 5 -11.848 -2.207 -14.203 1.00 0.19 N ATOM 63 CA LEU A 5 -13.105 -1.977 -14.915 1.00 0.21 C ATOM 64 C LEU A 5 -13.885 -0.875 -14.195 1.00 0.20 C ATOM 65 O LEU A 5 -13.871 -0.804 -12.961 1.00 0.21 O ATOM 66 CB LEU A 5 -13.958 -3.260 -14.938 1.00 0.23 C ATOM 67 CG LEU A 5 -13.733 -4.118 -16.187 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.533 -5.414 -16.069 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.130 -3.362 -17.456 1.00 0.31 C ATOM 0 H LEU A 5 -11.899 -1.998 -13.206 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.883 -1.683 -15.941 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.731 -3.854 -14.053 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.012 -2.988 -14.878 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.671 -4.353 -16.259 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.372 -6.023 -16.958 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.205 -5.965 -15.187 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.594 -5.180 -15.977 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.959 -3.996 -18.326 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.185 -3.093 -17.404 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.529 -2.457 -17.543 1.00 0.31 H new ATOM 81 N ASN A 6 -14.601 -0.041 -14.949 1.00 0.22 N ATOM 82 CA ASN A 6 -15.425 1.019 -14.345 1.00 0.23 C ATOM 83 C ASN A 6 -16.765 0.398 -13.984 1.00 0.22 C ATOM 84 O ASN A 6 -17.402 -0.209 -14.838 1.00 0.26 O ATOM 85 CB ASN A 6 -15.613 2.209 -15.301 1.00 0.28 C ATOM 86 CG ASN A 6 -14.273 2.850 -15.676 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.321 2.826 -14.893 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.201 3.441 -16.859 1.00 1.24 N ATOM 0 H ASN A 6 -14.631 -0.073 -15.968 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.930 1.415 -13.458 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.122 1.873 -16.205 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.255 2.955 -14.832 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.336 3.897 -17.149 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.010 3.440 -17.480 1.00 1.24 H new ATOM 95 N ARG A 7 -17.165 0.495 -12.716 1.00 0.23 N ATOM 96 CA ARG A 7 -18.414 -0.119 -12.251 1.00 0.24 C ATOM 97 C ARG A 7 -19.397 0.921 -11.720 1.00 0.25 C ATOM 98 O ARG A 7 -19.058 1.744 -10.866 1.00 0.32 O ATOM 99 CB ARG A 7 -18.103 -1.144 -11.152 1.00 0.28 C ATOM 100 CG ARG A 7 -19.339 -1.978 -10.796 1.00 0.34 C ATOM 101 CD ARG A 7 -18.976 -3.195 -9.939 1.00 0.54 C ATOM 102 NE ARG A 7 -18.859 -2.819 -8.524 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.531 -3.460 -7.564 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.170 -4.690 -7.208 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.570 -2.879 -6.989 1.00 1.71 N ATOM 0 H ARG A 7 -16.645 0.991 -11.992 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.882 -0.612 -13.103 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.301 -1.803 -11.484 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.743 -0.627 -10.262 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.055 -1.356 -10.259 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.829 -2.311 -11.711 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.738 -3.966 -10.053 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.035 -3.622 -10.286 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.246 -2.045 -8.267 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -18.380 -5.143 -7.668 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.683 -5.180 -6.475 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.856 -1.944 -7.279 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.085 -3.366 -6.256 1.00 1.71 H new ATOM 119 N LYS A 8 -20.626 0.838 -12.213 1.00 0.27 N ATOM 120 CA LYS A 8 -21.720 1.714 -11.803 1.00 0.29 C ATOM 121 C LYS A 8 -22.945 0.838 -11.590 1.00 0.29 C ATOM 122 O LYS A 8 -23.451 0.228 -12.534 1.00 0.38 O ATOM 123 CB LYS A 8 -21.992 2.769 -12.884 1.00 0.36 C ATOM 124 CG LYS A 8 -23.131 3.729 -12.498 1.00 0.37 C ATOM 125 CD LYS A 8 -24.190 3.845 -13.607 1.00 0.50 C ATOM 126 CE LYS A 8 -25.475 3.092 -13.254 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.232 3.762 -12.155 1.00 1.02 N ATOM 0 H LYS A 8 -20.896 0.152 -12.918 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.466 2.245 -10.885 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.083 3.343 -13.064 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.244 2.269 -13.819 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.604 3.379 -11.581 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.718 4.715 -12.287 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.421 4.896 -13.779 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.784 3.452 -14.539 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.108 3.020 -14.139 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.228 2.073 -12.955 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.152 3.198 -11.285 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.839 4.711 -11.991 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.233 3.844 -12.423 1.00 1.02 H new ATOM 141 N HIS A 9 -23.409 0.751 -10.352 1.00 0.43 N ATOM 142 CA HIS A 9 -24.565 -0.082 -10.023 1.00 0.52 C ATOM 143 C HIS A 9 -25.879 0.613 -10.388 1.00 0.58 C ATOM 144 O HIS A 9 -26.060 1.808 -10.148 1.00 0.73 O ATOM 145 CB HIS A 9 -24.553 -0.492 -8.536 1.00 0.68 C ATOM 146 CG HIS A 9 -24.318 0.625 -7.551 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.143 0.400 -6.212 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.234 1.975 -7.692 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.965 1.523 -5.563 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.013 2.514 -6.437 1.00 1.75 N ATOM 0 H HIS A 9 -23.005 1.245 -9.556 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.493 -0.990 -10.622 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.507 -0.964 -8.301 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.780 -1.247 -8.393 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.150 -0.522 -5.777 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.324 2.527 -8.616 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.807 1.623 -4.499 1.00 1.69 H new ATOM 158 N GLU A 10 -26.788 -0.160 -10.972 1.00 0.60 N ATOM 159 CA GLU A 10 -28.108 0.327 -11.379 1.00 0.73 C ATOM 160 C GLU A 10 -29.138 -0.125 -10.351 1.00 0.83 C ATOM 161 O GLU A 10 -29.868 0.686 -9.780 1.00 1.00 O ATOM 162 CB GLU A 10 -28.478 -0.233 -12.765 1.00 0.79 C ATOM 163 CG GLU A 10 -28.011 0.689 -13.892 1.00 1.28 C ATOM 164 CD GLU A 10 -28.932 1.897 -14.001 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.058 1.750 -14.508 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.527 3.000 -13.585 1.00 1.52 O ATOM 0 H GLU A 10 -26.633 -1.147 -11.179 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.092 1.415 -11.437 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.028 -1.218 -12.891 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.558 -0.365 -12.827 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.989 1.018 -13.702 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.001 0.144 -14.836 1.00 1.28 H new ATOM 173 N TRP A 11 -29.178 -1.433 -10.129 1.00 0.82 N ATOM 174 CA TRP A 11 -30.099 -2.048 -9.184 1.00 0.96 C ATOM 175 C TRP A 11 -29.366 -3.162 -8.434 1.00 0.94 C ATOM 176 O TRP A 11 -28.864 -4.111 -9.041 1.00 0.84 O ATOM 177 CB TRP A 11 -31.313 -2.598 -9.956 1.00 1.08 C ATOM 178 CG TRP A 11 -32.308 -3.341 -9.101 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.183 -2.803 -8.198 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.527 -4.767 -9.078 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.913 -3.814 -7.639 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.544 -5.019 -8.151 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.968 -5.849 -9.758 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.996 -6.301 -7.885 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.415 -7.135 -9.498 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.425 -7.359 -8.572 1.00 1.53 C ATOM 0 H TRP A 11 -28.569 -2.100 -10.603 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.455 -1.318 -8.457 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.822 -1.769 -10.448 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.957 -3.265 -10.742 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.281 -1.753 -7.965 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.637 -3.683 -6.933 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.188 -5.685 -10.486 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.776 -6.472 -7.158 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.973 -7.971 -10.021 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.768 -8.366 -8.386 1.00 1.53 H new ATOM 197 N GLU A 12 -29.315 -3.035 -7.114 1.00 1.16 N ATOM 198 CA GLU A 12 -28.664 -4.018 -6.244 1.00 1.26 C ATOM 199 C GLU A 12 -29.405 -4.066 -4.909 1.00 1.56 C ATOM 200 O GLU A 12 -28.795 -4.158 -3.840 1.00 2.03 O ATOM 201 CB GLU A 12 -27.178 -3.668 -6.037 1.00 1.34 C ATOM 202 CG GLU A 12 -26.966 -2.221 -5.570 1.00 1.63 C ATOM 203 CD GLU A 12 -25.680 -2.115 -4.755 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.582 -2.189 -5.346 1.00 2.05 O ATOM 205 OE2 GLU A 12 -25.764 -1.979 -3.517 1.00 2.09 O ATOM 0 H GLU A 12 -29.724 -2.247 -6.611 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.704 -5.001 -6.714 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.748 -4.349 -5.302 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.639 -3.826 -6.971 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.915 -1.556 -6.432 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -27.815 -1.897 -4.968 1.00 1.63 H new ATOM 212 N ALA A 13 -30.732 -3.994 -4.989 1.00 1.77 N ATOM 213 CA ALA A 13 -31.599 -4.017 -3.813 1.00 2.14 C ATOM 214 C ALA A 13 -32.851 -4.833 -4.129 1.00 2.15 C ATOM 215 O ALA A 13 -32.758 -5.916 -4.712 1.00 2.54 O ATOM 216 CB ALA A 13 -31.964 -2.580 -3.413 1.00 2.70 C ATOM 0 H ALA A 13 -31.237 -3.918 -5.872 1.00 1.77 H new ATOM 0 HA ALA A 13 -31.081 -4.483 -2.975 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.611 -2.600 -2.536 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -31.055 -2.025 -3.181 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -32.486 -2.094 -4.238 1.00 2.70 H new ATOM 222 N HIS A 14 -34.023 -4.316 -3.751 1.00 2.38 N ATOM 223 CA HIS A 14 -35.293 -5.006 -3.997 1.00 2.81 C ATOM 224 C HIS A 14 -36.123 -4.279 -5.062 1.00 2.77 C ATOM 225 O HIS A 14 -36.627 -4.913 -5.990 1.00 3.31 O ATOM 226 CB HIS A 14 -36.094 -5.122 -2.684 1.00 3.51 C ATOM 227 CG HIS A 14 -37.056 -6.276 -2.676 1.00 3.99 C ATOM 228 ND1 HIS A 14 -38.370 -6.156 -3.045 1.00 4.73 N ATOM 229 CD2 HIS A 14 -36.902 -7.587 -2.351 1.00 4.33 C ATOM 230 CE1 HIS A 14 -38.993 -7.307 -2.958 1.00 5.34 C ATOM 231 NE2 HIS A 14 -38.123 -8.211 -2.534 1.00 5.13 N ATOM 0 H HIS A 14 -34.119 -3.420 -3.273 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.070 -6.005 -4.370 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -35.399 -5.231 -1.851 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -36.646 -4.196 -2.520 1.00 3.51 H new ATOM 0 HD1 HIS A 14 -38.807 -5.285 -3.348 1.00 4.73 H new ATOM 0 HD2 HIS A 14 -35.991 -8.057 -2.011 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -40.032 -7.486 -3.191 1.00 5.34 H new ATOM 239 N ASN A 15 -36.283 -2.961 -4.916 1.00 2.64 N ATOM 240 CA ASN A 15 -37.089 -2.163 -5.858 1.00 2.83 C ATOM 241 C ASN A 15 -36.390 -0.849 -6.232 1.00 2.48 C ATOM 242 O ASN A 15 -36.445 -0.417 -7.385 1.00 2.96 O ATOM 243 CB ASN A 15 -38.461 -1.850 -5.229 1.00 3.64 C ATOM 244 CG ASN A 15 -39.356 -3.095 -5.192 1.00 4.19 C ATOM 245 OD1 ASN A 15 -39.509 -3.733 -4.146 1.00 4.25 O ATOM 246 ND2 ASN A 15 -39.949 -3.441 -6.323 1.00 4.99 N ATOM 0 H ASN A 15 -35.868 -2.420 -4.157 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.216 -2.750 -6.768 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -38.321 -1.470 -4.217 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -38.954 -1.063 -5.800 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -40.557 -4.260 -6.350 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -39.798 -2.889 -7.167 1.00 4.99 H new ATOM 253 N LYS A 16 -35.753 -0.201 -5.254 1.00 2.30 N ATOM 254 CA LYS A 16 -35.068 1.081 -5.480 1.00 2.46 C ATOM 255 C LYS A 16 -33.712 0.882 -6.173 1.00 2.10 C ATOM 256 O LYS A 16 -33.070 -0.163 -6.038 1.00 2.44 O ATOM 257 CB LYS A 16 -34.891 1.822 -4.144 1.00 3.26 C ATOM 258 CG LYS A 16 -36.156 2.606 -3.759 1.00 3.87 C ATOM 259 CD LYS A 16 -37.147 1.739 -2.972 1.00 4.83 C ATOM 260 CE LYS A 16 -38.526 2.403 -2.881 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.284 2.296 -4.162 1.00 6.03 N ATOM 0 H LYS A 16 -35.695 -0.541 -4.294 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.687 1.685 -6.144 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -34.654 1.105 -3.358 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -34.046 2.507 -4.216 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -35.878 3.474 -3.161 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -36.639 2.982 -4.661 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -37.242 0.765 -3.453 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -36.760 1.562 -1.968 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -39.100 1.937 -2.080 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -38.406 3.454 -2.618 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -40.229 2.712 -4.042 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -38.774 2.806 -4.911 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.378 1.295 -4.427 1.00 6.03 H new ATOM 275 N LYS A 17 -33.289 1.906 -6.915 1.00 1.88 N ATOM 276 CA LYS A 17 -32.015 1.888 -7.646 1.00 1.62 C ATOM 277 C LYS A 17 -30.861 2.327 -6.733 1.00 1.62 C ATOM 278 O LYS A 17 -31.081 2.774 -5.603 1.00 2.06 O ATOM 279 CB LYS A 17 -32.100 2.824 -8.861 1.00 1.84 C ATOM 280 CG LYS A 17 -33.226 2.419 -9.823 1.00 2.30 C ATOM 281 CD LYS A 17 -32.686 2.034 -11.204 1.00 2.75 C ATOM 282 CE LYS A 17 -31.998 3.217 -11.899 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.070 3.096 -13.386 1.00 3.75 N ATOM 0 H LYS A 17 -33.817 2.772 -7.028 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.823 0.870 -7.984 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.265 3.846 -8.520 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -31.148 2.815 -9.393 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.779 1.579 -9.402 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -33.930 3.245 -9.926 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -31.978 1.212 -11.101 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -33.505 1.673 -11.827 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.469 4.149 -11.586 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -30.955 3.267 -11.587 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -31.799 4.001 -13.821 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -31.420 2.350 -13.705 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.041 2.853 -13.668 1.00 3.75 H new ATOM 297 N ALA A 18 -29.637 2.204 -7.240 1.00 1.43 N ATOM 298 CA ALA A 18 -28.426 2.587 -6.502 1.00 1.61 C ATOM 299 C ALA A 18 -27.688 3.697 -7.251 1.00 1.86 C ATOM 300 O ALA A 18 -27.622 3.686 -8.485 1.00 2.10 O ATOM 301 CB ALA A 18 -27.516 1.367 -6.342 1.00 1.58 C ATOM 0 H ALA A 18 -29.452 1.837 -8.173 1.00 1.43 H new ATOM 0 HA ALA A 18 -28.707 2.956 -5.516 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.618 1.652 -5.794 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -28.045 0.589 -5.792 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.237 0.990 -7.326 1.00 1.58 H new ATOM 307 N SER A 19 -27.145 4.658 -6.506 1.00 2.24 N ATOM 308 CA SER A 19 -26.413 5.792 -7.089 1.00 2.71 C ATOM 309 C SER A 19 -25.395 6.351 -6.083 1.00 2.85 C ATOM 310 O SER A 19 -25.161 7.562 -6.031 1.00 3.33 O ATOM 311 CB SER A 19 -27.399 6.888 -7.514 1.00 3.28 C ATOM 312 OG SER A 19 -28.380 6.373 -8.409 1.00 3.62 O ATOM 0 H SER A 19 -27.197 4.677 -5.487 1.00 2.24 H new ATOM 0 HA SER A 19 -25.870 5.444 -7.968 1.00 2.71 H new ATOM 0 HB2 SER A 19 -27.888 7.304 -6.633 1.00 3.28 H new ATOM 0 HB3 SER A 19 -26.857 7.704 -7.993 1.00 3.28 H new ATOM 0 HG SER A 19 -28.998 7.089 -8.665 1.00 3.62 H new ATOM 318 N SER A 20 -24.789 5.461 -5.294 1.00 2.92 N ATOM 319 CA SER A 20 -23.785 5.835 -4.292 1.00 3.46 C ATOM 320 C SER A 20 -22.387 5.700 -4.900 1.00 3.36 C ATOM 321 O SER A 20 -21.622 6.666 -4.960 1.00 3.74 O ATOM 322 CB SER A 20 -23.915 4.948 -3.041 1.00 4.13 C ATOM 323 OG SER A 20 -24.810 3.859 -3.261 1.00 4.31 O ATOM 0 H SER A 20 -24.980 4.460 -5.331 1.00 2.92 H new ATOM 0 HA SER A 20 -23.948 6.870 -3.991 1.00 3.46 H new ATOM 0 HB2 SER A 20 -22.934 4.563 -2.763 1.00 4.13 H new ATOM 0 HB3 SER A 20 -24.270 5.549 -2.204 1.00 4.13 H new ATOM 0 HG SER A 20 -24.869 3.315 -2.448 1.00 4.31 H new ATOM 329 N ARG A 21 -22.075 4.495 -5.376 1.00 3.28 N ATOM 330 CA ARG A 21 -20.788 4.206 -6.017 1.00 3.37 C ATOM 331 C ARG A 21 -20.981 4.225 -7.536 1.00 2.30 C ATOM 332 O ARG A 21 -20.782 3.216 -8.219 1.00 2.78 O ATOM 333 CB ARG A 21 -20.249 2.843 -5.549 1.00 4.44 C ATOM 334 CG ARG A 21 -19.955 2.835 -4.039 1.00 5.18 C ATOM 335 CD ARG A 21 -18.499 3.211 -3.737 1.00 5.89 C ATOM 336 NE ARG A 21 -18.272 4.645 -3.956 1.00 6.25 N ATOM 337 CZ ARG A 21 -18.500 5.551 -3.009 1.00 6.92 C ATOM 338 NH1 ARG A 21 -17.691 5.624 -1.963 1.00 7.30 N ATOM 339 NH2 ARG A 21 -19.531 6.379 -3.114 1.00 7.43 N ATOM 0 H ARG A 21 -22.703 3.693 -5.330 1.00 3.28 H new ATOM 0 HA ARG A 21 -20.056 4.964 -5.736 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -20.976 2.065 -5.782 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -19.338 2.604 -6.098 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.622 3.535 -3.536 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -20.166 1.845 -3.633 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -18.259 2.954 -2.705 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -17.830 2.631 -4.373 1.00 5.89 H new ATOM 0 HE ARG A 21 -17.928 4.957 -4.864 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -16.898 4.987 -1.886 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -17.861 6.317 -1.234 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -20.151 6.322 -3.922 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -19.704 7.073 -2.387 1.00 7.43 H new ATOM 353 N SER A 22 -21.397 5.384 -8.048 1.00 1.32 N ATOM 354 CA SER A 22 -21.653 5.575 -9.478 1.00 0.74 C ATOM 355 C SER A 22 -20.348 5.780 -10.246 1.00 0.68 C ATOM 356 O SER A 22 -19.674 6.797 -10.089 1.00 1.69 O ATOM 357 CB SER A 22 -22.560 6.788 -9.691 1.00 1.62 C ATOM 358 OG SER A 22 -23.586 6.836 -8.705 1.00 1.86 O ATOM 0 H SER A 22 -21.566 6.217 -7.484 1.00 1.32 H new ATOM 0 HA SER A 22 -22.144 4.677 -9.854 1.00 0.74 H new ATOM 0 HB2 SER A 22 -21.967 7.702 -9.649 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.007 6.743 -10.684 1.00 1.62 H new ATOM 0 HG SER A 22 -24.152 7.621 -8.860 1.00 1.86 H new ATOM 364 N TRP A 23 -20.026 4.806 -11.083 1.00 0.69 N ATOM 365 CA TRP A 23 -18.826 4.811 -11.931 1.00 0.41 C ATOM 366 C TRP A 23 -17.535 4.920 -11.114 1.00 0.40 C ATOM 367 O TRP A 23 -16.897 5.974 -11.072 1.00 0.55 O ATOM 368 CB TRP A 23 -18.909 5.925 -12.996 1.00 0.43 C ATOM 369 CG TRP A 23 -19.851 5.569 -14.117 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.953 6.262 -14.534 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.773 4.393 -14.949 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.538 5.574 -15.566 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.849 4.429 -15.841 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.899 3.313 -15.011 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.057 3.429 -16.785 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.092 2.315 -15.938 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.165 2.363 -16.820 1.00 0.31 C ATOM 0 H TRP A 23 -20.598 3.969 -11.200 1.00 0.69 H new ATOM 0 HA TRP A 23 -18.792 3.849 -12.443 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.239 6.851 -12.526 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.915 6.111 -13.403 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.304 7.196 -14.120 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.376 5.878 -16.062 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.064 3.257 -14.328 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.889 3.479 -17.472 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.402 1.485 -15.981 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.307 1.568 -17.537 1.00 0.31 H new ATOM 388 N HIS A 24 -17.152 3.806 -10.490 1.00 0.37 N ATOM 389 CA HIS A 24 -15.932 3.721 -9.691 1.00 0.45 C ATOM 390 C HIS A 24 -14.999 2.686 -10.323 1.00 0.36 C ATOM 391 O HIS A 24 -15.428 1.573 -10.652 1.00 0.34 O ATOM 392 CB HIS A 24 -16.279 3.318 -8.247 1.00 0.61 C ATOM 393 CG HIS A 24 -15.090 3.267 -7.324 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.441 4.380 -6.860 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.415 2.221 -6.788 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.431 4.053 -6.090 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.383 2.732 -6.020 1.00 2.74 N ATOM 0 H HIS A 24 -17.682 2.935 -10.525 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.435 4.691 -9.667 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.006 4.025 -7.848 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.759 2.340 -8.259 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -14.708 5.339 -7.084 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.642 1.175 -6.934 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -12.757 4.740 -5.600 1.00 2.98 H new ATOM 405 N ASN A 25 -13.728 3.050 -10.488 1.00 0.37 N ATOM 406 CA ASN A 25 -12.720 2.159 -11.071 1.00 0.35 C ATOM 407 C ASN A 25 -12.360 1.045 -10.077 1.00 0.34 C ATOM 408 O ASN A 25 -11.522 1.223 -9.192 1.00 0.55 O ATOM 409 CB ASN A 25 -11.466 2.959 -11.495 1.00 0.44 C ATOM 410 CG ASN A 25 -11.074 4.039 -10.476 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.534 5.178 -10.566 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.232 3.690 -9.515 1.00 1.49 N ATOM 0 H ASN A 25 -13.367 3.966 -10.223 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.135 1.695 -11.966 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -10.631 2.272 -11.628 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.650 3.428 -12.462 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.943 4.375 -8.816 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.872 2.736 -9.474 1.00 1.49 H new ATOM 419 N VAL A 26 -13.018 -0.100 -10.230 1.00 0.22 N ATOM 420 CA VAL A 26 -12.804 -1.258 -9.360 1.00 0.21 C ATOM 421 C VAL A 26 -12.037 -2.348 -10.113 1.00 0.18 C ATOM 422 O VAL A 26 -12.112 -2.447 -11.342 1.00 0.23 O ATOM 423 CB VAL A 26 -14.163 -1.777 -8.850 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.907 -2.568 -9.928 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.996 -2.620 -7.586 1.00 0.31 C ATOM 0 H VAL A 26 -13.715 -0.254 -10.959 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.204 -0.964 -8.499 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.765 -0.903 -8.601 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.860 -2.917 -9.531 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.087 -1.927 -10.791 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.305 -3.424 -10.232 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.972 -2.971 -7.251 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.357 -3.476 -7.801 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.540 -2.015 -6.803 1.00 0.31 H new ATOM 435 N TYR A 27 -11.304 -3.158 -9.366 1.00 0.16 N ATOM 436 CA TYR A 27 -10.516 -4.254 -9.927 1.00 0.16 C ATOM 437 C TYR A 27 -11.342 -5.539 -9.873 1.00 0.19 C ATOM 438 O TYR A 27 -11.736 -5.985 -8.794 1.00 0.34 O ATOM 439 CB TYR A 27 -9.206 -4.399 -9.141 1.00 0.17 C ATOM 440 CG TYR A 27 -8.093 -5.060 -9.932 1.00 0.18 C ATOM 441 CD1 TYR A 27 -8.050 -6.440 -10.065 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.104 -4.287 -10.515 1.00 0.28 C ATOM 443 CE1 TYR A 27 -7.025 -7.038 -10.783 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.079 -4.884 -11.227 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.044 -6.258 -11.357 1.00 0.29 C ATOM 446 OH TYR A 27 -5.019 -6.857 -12.054 1.00 0.37 O ATOM 0 H TYR A 27 -11.236 -3.077 -8.351 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.264 -4.047 -10.967 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.874 -3.412 -8.818 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.395 -4.982 -8.240 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.816 -7.050 -9.609 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.133 -3.212 -10.414 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.996 -8.112 -10.892 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.309 -4.277 -11.680 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.411 -6.169 -12.397 1.00 0.37 H new ATOM 456 N CYS A 28 -11.623 -6.112 -11.042 1.00 0.16 N ATOM 457 CA CYS A 28 -12.430 -7.332 -11.149 1.00 0.19 C ATOM 458 C CYS A 28 -11.560 -8.537 -11.503 1.00 0.19 C ATOM 459 O CYS A 28 -10.704 -8.467 -12.388 1.00 0.23 O ATOM 460 CB CYS A 28 -13.516 -7.136 -12.218 1.00 0.23 C ATOM 461 SG CYS A 28 -14.558 -5.703 -11.892 1.00 0.34 S ATOM 0 H CYS A 28 -11.301 -5.748 -11.939 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.897 -7.525 -10.183 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.044 -7.023 -13.194 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.138 -8.030 -12.267 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.233 -5.897 -10.798 1.00 0.34 H new ATOM 467 N VAL A 29 -11.797 -9.647 -10.806 1.00 0.21 N ATOM 468 CA VAL A 29 -11.069 -10.901 -11.022 1.00 0.24 C ATOM 469 C VAL A 29 -12.072 -12.054 -11.060 1.00 0.26 C ATOM 470 O VAL A 29 -12.981 -12.109 -10.230 1.00 0.38 O ATOM 471 CB VAL A 29 -10.060 -11.125 -9.881 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.356 -12.483 -10.010 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.035 -9.991 -9.825 1.00 0.33 C ATOM 0 H VAL A 29 -12.502 -9.704 -10.071 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.526 -10.853 -11.966 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.621 -11.128 -8.946 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.651 -12.607 -9.188 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.097 -13.282 -9.976 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.819 -12.526 -10.958 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.334 -10.174 -9.010 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.491 -9.945 -10.768 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.548 -9.044 -9.656 1.00 0.33 H new ATOM 483 N ILE A 30 -11.897 -12.972 -12.006 1.00 0.28 N ATOM 484 CA ILE A 30 -12.778 -14.139 -12.150 1.00 0.32 C ATOM 485 C ILE A 30 -12.012 -15.389 -11.721 1.00 0.35 C ATOM 486 O ILE A 30 -10.905 -15.638 -12.207 1.00 0.44 O ATOM 487 CB ILE A 30 -13.260 -14.269 -13.606 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.560 -12.887 -14.203 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.507 -15.154 -13.686 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.238 -12.994 -15.572 1.00 0.57 C ATOM 0 H ILE A 30 -11.145 -12.933 -12.694 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.657 -14.018 -11.517 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.462 -14.735 -14.184 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.202 -12.328 -13.522 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.632 -12.324 -14.300 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.831 -15.233 -14.724 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.274 -16.147 -13.302 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.305 -14.713 -13.089 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.433 -11.994 -15.960 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.585 -13.530 -16.261 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.179 -13.534 -15.471 1.00 0.57 H new ATOM 502 N ASN A 31 -12.588 -16.165 -10.802 1.00 0.46 N ATOM 503 CA ASN A 31 -11.935 -17.383 -10.299 1.00 0.58 C ATOM 504 C ASN A 31 -12.862 -18.596 -10.418 1.00 0.71 C ATOM 505 O ASN A 31 -13.151 -19.273 -9.431 1.00 1.20 O ATOM 506 CB ASN A 31 -11.482 -17.176 -8.839 1.00 0.73 C ATOM 507 CG ASN A 31 -10.477 -18.257 -8.422 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.492 -18.502 -9.117 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.717 -18.901 -7.291 1.00 1.47 N ATOM 0 H ASN A 31 -13.502 -15.976 -10.390 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.056 -17.581 -10.912 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.029 -16.191 -8.730 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.348 -17.203 -8.177 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.075 -19.626 -6.971 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.544 -18.672 -6.739 1.00 1.47 H new ATOM 516 N ASN A 32 -13.293 -18.879 -11.646 1.00 0.85 N ATOM 517 CA ASN A 32 -14.156 -20.034 -11.951 1.00 1.00 C ATOM 518 C ASN A 32 -15.567 -19.878 -11.370 1.00 1.00 C ATOM 519 O ASN A 32 -15.779 -20.038 -10.167 1.00 1.97 O ATOM 520 CB ASN A 32 -13.509 -21.337 -11.434 1.00 1.24 C ATOM 521 CG ASN A 32 -13.948 -22.532 -12.287 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.124 -22.898 -12.301 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.006 -23.154 -12.981 1.00 2.52 N ATOM 0 H ASN A 32 -13.057 -18.317 -12.464 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.256 -20.083 -13.035 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.423 -21.245 -11.459 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.791 -21.502 -10.394 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.245 -23.965 -13.552 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.042 -22.822 -12.945 1.00 2.52 H new ATOM 530 N GLN A 33 -16.533 -19.602 -12.248 1.00 0.75 N ATOM 531 CA GLN A 33 -17.954 -19.462 -11.881 1.00 0.67 C ATOM 532 C GLN A 33 -18.256 -18.205 -11.041 1.00 0.56 C ATOM 533 O GLN A 33 -19.378 -17.676 -11.124 1.00 0.71 O ATOM 534 CB GLN A 33 -18.445 -20.726 -11.149 1.00 0.83 C ATOM 535 CG GLN A 33 -19.682 -21.328 -11.829 1.00 1.46 C ATOM 536 CD GLN A 33 -19.282 -22.336 -12.909 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.727 -23.486 -12.896 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.441 -21.919 -13.844 1.00 2.67 N ATOM 0 H GLN A 33 -16.355 -19.467 -13.243 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.499 -19.341 -12.817 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.646 -21.467 -11.125 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.682 -20.479 -10.114 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.308 -21.818 -11.084 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.280 -20.532 -12.273 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.092 -20.961 -13.825 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.143 -22.556 -14.583 1.00 2.67 H new ATOM 547 N GLU A 34 -17.285 -17.749 -10.223 1.00 0.53 N ATOM 548 CA GLU A 34 -17.468 -16.577 -9.363 1.00 0.49 C ATOM 549 C GLU A 34 -16.382 -15.537 -9.626 1.00 0.45 C ATOM 550 O GLU A 34 -15.329 -15.843 -10.197 1.00 0.64 O ATOM 551 CB GLU A 34 -17.430 -17.010 -7.892 1.00 0.61 C ATOM 552 CG GLU A 34 -18.410 -18.157 -7.623 1.00 1.25 C ATOM 553 CD GLU A 34 -18.879 -18.127 -6.177 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.024 -18.082 -5.274 1.00 1.89 O ATOM 555 OE2 GLU A 34 -20.102 -18.139 -5.943 1.00 1.79 O ATOM 0 H GLU A 34 -16.365 -18.182 -10.145 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.435 -16.127 -9.587 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.420 -17.323 -7.629 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.677 -16.161 -7.254 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -19.267 -18.075 -8.291 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.929 -19.112 -7.836 1.00 1.25 H new ATOM 562 N MET A 35 -16.643 -14.309 -9.191 1.00 0.36 N ATOM 563 CA MET A 35 -15.706 -13.200 -9.353 1.00 0.35 C ATOM 564 C MET A 35 -15.525 -12.464 -8.026 1.00 0.32 C ATOM 565 O MET A 35 -16.413 -12.477 -7.167 1.00 0.42 O ATOM 566 CB MET A 35 -16.203 -12.234 -10.442 1.00 0.41 C ATOM 567 CG MET A 35 -17.591 -11.661 -10.127 1.00 0.43 C ATOM 568 SD MET A 35 -18.211 -10.596 -11.443 1.00 0.60 S ATOM 569 CE MET A 35 -17.099 -9.186 -11.316 1.00 1.25 C ATOM 0 H MET A 35 -17.509 -14.053 -8.716 1.00 0.36 H new ATOM 0 HA MET A 35 -14.740 -13.600 -9.663 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.491 -11.416 -10.550 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.237 -12.756 -11.399 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.291 -12.481 -9.967 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.545 -11.095 -9.197 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.625 -8.280 -11.616 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.758 -9.083 -10.286 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.240 -9.340 -11.969 1.00 1.25 H new ATOM 579 N GLY A 36 -14.368 -11.830 -7.870 1.00 0.27 N ATOM 580 CA GLY A 36 -14.029 -11.078 -6.660 1.00 0.29 C ATOM 581 C GLY A 36 -13.761 -9.613 -6.993 1.00 0.25 C ATOM 582 O GLY A 36 -13.123 -9.305 -8.008 1.00 0.28 O ATOM 0 H GLY A 36 -13.635 -11.821 -8.579 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.845 -11.149 -5.941 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.149 -11.516 -6.188 1.00 0.29 H new ATOM 586 N PHE A 37 -14.247 -8.717 -6.133 1.00 0.24 N ATOM 587 CA PHE A 37 -14.065 -7.272 -6.308 1.00 0.25 C ATOM 588 C PHE A 37 -12.964 -6.773 -5.373 1.00 0.25 C ATOM 589 O PHE A 37 -13.076 -6.896 -4.153 1.00 0.40 O ATOM 590 CB PHE A 37 -15.381 -6.539 -6.015 1.00 0.30 C ATOM 591 CG PHE A 37 -16.402 -6.694 -7.122 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.222 -6.037 -8.329 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.519 -7.496 -6.935 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.153 -6.179 -9.344 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.450 -7.637 -7.952 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.268 -6.978 -9.156 1.00 0.33 C ATOM 0 H PHE A 37 -14.776 -8.969 -5.298 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.773 -7.070 -7.339 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.802 -6.918 -5.084 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.175 -5.479 -5.864 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.353 -5.413 -8.478 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.663 -8.011 -5.996 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.009 -5.666 -10.283 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.319 -8.262 -7.805 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.995 -7.087 -9.947 1.00 0.33 H new ATOM 606 N TYR A 38 -11.903 -6.219 -5.954 1.00 0.20 N ATOM 607 CA TYR A 38 -10.760 -5.702 -5.190 1.00 0.21 C ATOM 608 C TYR A 38 -10.495 -4.238 -5.555 1.00 0.21 C ATOM 609 O TYR A 38 -10.985 -3.742 -6.576 1.00 0.23 O ATOM 610 CB TYR A 38 -9.515 -6.554 -5.486 1.00 0.23 C ATOM 611 CG TYR A 38 -9.738 -8.038 -5.259 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.216 -8.838 -6.284 1.00 0.27 C ATOM 613 CD2 TYR A 38 -9.469 -8.599 -4.021 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.420 -10.190 -6.071 1.00 0.35 C ATOM 615 CE2 TYR A 38 -9.672 -9.952 -3.812 1.00 0.50 C ATOM 616 CZ TYR A 38 -10.148 -10.741 -4.839 1.00 0.44 C ATOM 617 OH TYR A 38 -10.344 -12.085 -4.637 1.00 0.55 O ATOM 0 H TYR A 38 -11.807 -6.114 -6.964 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.989 -5.757 -4.126 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.210 -6.393 -6.520 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.693 -6.216 -4.855 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.430 -8.406 -7.250 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -9.100 -7.979 -3.217 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.792 -10.813 -6.871 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -9.458 -10.389 -2.848 1.00 0.50 H new ATOM 0 HH TYR A 38 -10.104 -12.316 -3.715 1.00 0.55 H new ATOM 627 N LYS A 39 -9.722 -3.542 -4.716 1.00 0.25 N ATOM 628 CA LYS A 39 -9.399 -2.130 -4.952 1.00 0.29 C ATOM 629 C LYS A 39 -8.444 -1.973 -6.147 1.00 0.28 C ATOM 630 O LYS A 39 -8.680 -1.141 -7.023 1.00 0.33 O ATOM 631 CB LYS A 39 -8.788 -1.494 -3.693 1.00 0.36 C ATOM 632 CG LYS A 39 -8.880 0.031 -3.738 1.00 0.70 C ATOM 633 CD LYS A 39 -8.379 0.666 -2.440 1.00 1.15 C ATOM 634 CE LYS A 39 -7.949 2.121 -2.660 1.00 1.82 C ATOM 635 NZ LYS A 39 -9.081 2.969 -3.130 1.00 2.51 N ATOM 0 H LYS A 39 -9.309 -3.932 -3.869 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.328 -1.611 -5.188 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.305 -1.865 -2.808 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.744 -1.795 -3.602 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -8.294 0.406 -4.577 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.914 0.328 -3.913 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.166 0.627 -1.687 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.538 0.091 -2.052 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -7.553 2.527 -1.729 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.142 2.155 -3.392 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.763 3.955 -3.218 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -9.410 2.627 -4.055 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -9.861 2.917 -2.445 1.00 2.51 H new ATOM 649 N ASP A 40 -7.370 -2.770 -6.174 1.00 0.28 N ATOM 650 CA ASP A 40 -6.380 -2.717 -7.267 1.00 0.32 C ATOM 651 C ASP A 40 -5.708 -4.084 -7.475 1.00 0.33 C ATOM 652 O ASP A 40 -6.158 -5.105 -6.944 1.00 0.32 O ATOM 653 CB ASP A 40 -5.320 -1.620 -6.991 1.00 0.38 C ATOM 654 CG ASP A 40 -4.242 -2.089 -6.006 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.587 -2.401 -4.851 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.056 -2.129 -6.381 1.00 0.94 O ATOM 0 H ASP A 40 -7.160 -3.461 -5.454 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.908 -2.462 -8.186 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.849 -1.328 -7.930 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.813 -0.733 -6.592 1.00 0.38 H new ATOM 661 N ALA A 41 -4.616 -4.080 -8.251 1.00 0.40 N ATOM 662 CA ALA A 41 -3.839 -5.291 -8.555 1.00 0.45 C ATOM 663 C ALA A 41 -3.189 -5.865 -7.290 1.00 0.45 C ATOM 664 O ALA A 41 -3.116 -7.084 -7.120 1.00 0.47 O ATOM 665 CB ALA A 41 -2.760 -4.969 -9.597 1.00 0.55 C ATOM 0 H ALA A 41 -4.245 -3.236 -8.687 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.521 -6.041 -8.956 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.188 -5.870 -9.818 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.232 -4.606 -10.510 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.092 -4.202 -9.204 1.00 0.55 H new ATOM 671 N LYS A 42 -2.733 -4.985 -6.395 1.00 0.46 N ATOM 672 CA LYS A 42 -2.108 -5.410 -5.135 1.00 0.48 C ATOM 673 C LYS A 42 -3.161 -6.044 -4.225 1.00 0.43 C ATOM 674 O LYS A 42 -2.911 -7.070 -3.595 1.00 0.47 O ATOM 675 CB LYS A 42 -1.436 -4.220 -4.449 1.00 0.54 C ATOM 676 CG LYS A 42 -0.299 -3.667 -5.313 1.00 0.77 C ATOM 677 CD LYS A 42 0.206 -2.326 -4.786 1.00 1.12 C ATOM 678 CE LYS A 42 1.508 -1.909 -5.473 1.00 1.96 C ATOM 679 NZ LYS A 42 1.333 -1.748 -6.945 1.00 2.76 N ATOM 0 H LYS A 42 -2.784 -3.974 -6.517 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.340 -6.154 -5.347 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.172 -3.438 -4.264 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.046 -4.526 -3.479 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.523 -4.383 -5.335 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.646 -3.548 -6.339 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -0.553 -1.561 -4.948 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.366 -2.394 -3.710 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.860 -0.971 -5.044 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.277 -2.657 -5.278 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.208 -1.368 -7.359 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.121 -2.672 -7.372 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.548 -1.092 -7.132 1.00 2.76 H new ATOM 693 N SER A 43 -4.360 -5.448 -4.198 1.00 0.38 N ATOM 694 CA SER A 43 -5.476 -5.973 -3.405 1.00 0.38 C ATOM 695 C SER A 43 -5.895 -7.351 -3.935 1.00 0.39 C ATOM 696 O SER A 43 -6.201 -8.257 -3.160 1.00 0.45 O ATOM 697 CB SER A 43 -6.664 -5.015 -3.463 1.00 0.37 C ATOM 698 OG SER A 43 -6.315 -3.738 -2.953 1.00 1.04 O ATOM 0 H SER A 43 -4.581 -4.599 -4.719 1.00 0.38 H new ATOM 0 HA SER A 43 -5.151 -6.071 -2.369 1.00 0.38 H new ATOM 0 HB2 SER A 43 -7.007 -4.917 -4.493 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.494 -5.425 -2.888 1.00 0.37 H new ATOM 0 HG SER A 43 -5.741 -3.274 -3.598 1.00 1.04 H new ATOM 704 N ALA A 44 -5.897 -7.498 -5.263 1.00 0.37 N ATOM 705 CA ALA A 44 -6.263 -8.754 -5.922 1.00 0.43 C ATOM 706 C ALA A 44 -5.194 -9.830 -5.690 1.00 0.51 C ATOM 707 O ALA A 44 -5.512 -11.008 -5.529 1.00 0.59 O ATOM 708 CB ALA A 44 -6.444 -8.523 -7.424 1.00 0.43 C ATOM 0 H ALA A 44 -5.645 -6.751 -5.910 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.202 -9.102 -5.491 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.716 -9.462 -7.906 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.234 -7.789 -7.587 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.511 -8.153 -7.850 1.00 0.43 H new ATOM 714 N ALA A 45 -3.923 -9.414 -5.681 1.00 0.54 N ATOM 715 CA ALA A 45 -2.791 -10.330 -5.478 1.00 0.64 C ATOM 716 C ALA A 45 -2.688 -10.761 -4.011 1.00 0.68 C ATOM 717 O ALA A 45 -2.672 -11.954 -3.708 1.00 0.76 O ATOM 718 CB ALA A 45 -1.491 -9.649 -5.912 1.00 0.69 C ATOM 0 H ALA A 45 -3.649 -8.440 -5.813 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.957 -11.220 -6.084 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.655 -10.331 -5.760 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.555 -9.382 -6.967 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.337 -8.748 -5.319 1.00 0.69 H new ATOM 724 N SER A 46 -2.609 -9.784 -3.105 1.00 0.65 N ATOM 725 CA SER A 46 -2.490 -10.049 -1.662 1.00 0.73 C ATOM 726 C SER A 46 -3.803 -10.575 -1.051 1.00 0.74 C ATOM 727 O SER A 46 -3.795 -11.145 0.037 1.00 0.84 O ATOM 728 CB SER A 46 -2.039 -8.774 -0.939 1.00 0.75 C ATOM 729 OG SER A 46 -0.784 -8.333 -1.448 1.00 1.21 O ATOM 0 H SER A 46 -2.625 -8.793 -3.344 1.00 0.65 H new ATOM 0 HA SER A 46 -1.743 -10.832 -1.531 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.786 -7.991 -1.068 1.00 0.75 H new ATOM 0 HB3 SER A 46 -1.958 -8.964 0.131 1.00 0.75 H new ATOM 0 HG SER A 46 -0.509 -7.518 -0.979 1.00 1.21 H new ATOM 735 N GLY A 47 -4.920 -10.389 -1.758 1.00 0.70 N ATOM 736 CA GLY A 47 -6.234 -10.853 -1.294 1.00 0.74 C ATOM 737 C GLY A 47 -6.804 -9.938 -0.210 1.00 0.75 C ATOM 738 O GLY A 47 -7.108 -10.385 0.897 1.00 0.88 O ATOM 0 H GLY A 47 -4.942 -9.916 -2.662 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.924 -10.894 -2.137 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.146 -11.867 -0.905 1.00 0.74 H new ATOM 742 N ILE A 48 -6.957 -8.659 -0.549 1.00 0.67 N ATOM 743 CA ILE A 48 -7.508 -7.653 0.367 1.00 0.72 C ATOM 744 C ILE A 48 -8.968 -7.387 -0.016 1.00 0.75 C ATOM 745 O ILE A 48 -9.252 -7.028 -1.157 1.00 0.75 O ATOM 746 CB ILE A 48 -6.677 -6.360 0.295 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.184 -6.672 0.487 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.144 -5.347 1.346 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.333 -5.406 0.427 1.00 0.97 C ATOM 0 H ILE A 48 -6.704 -8.288 -1.465 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.467 -8.019 1.393 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.822 -5.920 -0.692 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.035 -7.166 1.447 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.855 -7.369 -0.284 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.540 -4.443 1.273 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.191 -5.099 1.172 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.033 -5.778 2.341 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.284 -5.666 0.567 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.462 -4.927 -0.543 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.645 -4.720 1.215 1.00 0.97 H new ATOM 761 N PRO A 49 -9.919 -7.576 0.922 1.00 0.84 N ATOM 762 CA PRO A 49 -11.362 -7.376 0.652 1.00 0.93 C ATOM 763 C PRO A 49 -11.754 -5.910 0.391 1.00 0.93 C ATOM 764 O PRO A 49 -11.196 -4.983 0.987 1.00 1.08 O ATOM 765 CB PRO A 49 -12.047 -7.926 1.904 1.00 1.07 C ATOM 766 CG PRO A 49 -11.022 -7.830 2.982 1.00 1.06 C ATOM 767 CD PRO A 49 -9.682 -8.005 2.316 1.00 0.92 C ATOM 0 HA PRO A 49 -11.662 -7.881 -0.266 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.936 -7.347 2.153 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.369 -8.957 1.757 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.081 -6.866 3.488 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.182 -8.598 3.739 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.915 -7.397 2.796 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.344 -9.040 2.363 1.00 0.92 H new ATOM 775 N TYR A 50 -12.729 -5.731 -0.505 1.00 0.87 N ATOM 776 CA TYR A 50 -13.257 -4.416 -0.888 1.00 0.91 C ATOM 777 C TYR A 50 -14.784 -4.470 -0.845 1.00 1.12 C ATOM 778 O TYR A 50 -15.379 -5.489 -1.210 1.00 1.91 O ATOM 779 CB TYR A 50 -12.780 -4.057 -2.302 1.00 0.92 C ATOM 780 CG TYR A 50 -12.834 -2.574 -2.597 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.004 -1.695 -1.918 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.715 -2.090 -3.549 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.056 -0.338 -2.191 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.765 -0.735 -3.818 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.932 0.137 -3.133 1.00 1.17 C ATOM 786 OH TYR A 50 -12.989 1.485 -3.412 1.00 1.34 O ATOM 0 H TYR A 50 -13.181 -6.505 -0.992 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.898 -3.654 -0.197 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.756 -4.409 -2.432 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.394 -4.587 -3.030 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.316 -2.069 -1.175 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.363 -2.771 -4.081 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.407 0.345 -1.663 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.452 -0.356 -4.560 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.129 1.614 -4.373 1.00 1.34 H new ATOM 796 N HIS A 51 -15.414 -3.381 -0.389 1.00 1.28 N ATOM 797 CA HIS A 51 -16.889 -3.292 -0.275 1.00 1.53 C ATOM 798 C HIS A 51 -17.425 -4.342 0.723 1.00 1.61 C ATOM 799 O HIS A 51 -16.652 -5.003 1.425 1.00 2.07 O ATOM 800 CB HIS A 51 -17.560 -3.462 -1.665 1.00 2.01 C ATOM 801 CG HIS A 51 -17.702 -2.175 -2.431 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.723 -1.934 -3.319 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.953 -1.042 -2.449 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.614 -0.739 -3.852 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.540 -0.160 -3.340 1.00 3.74 N ATOM 0 H HIS A 51 -14.926 -2.537 -0.088 1.00 1.28 H new ATOM 0 HA HIS A 51 -17.141 -2.302 0.105 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.974 -4.164 -2.258 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.547 -3.905 -1.530 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.468 -2.597 -3.536 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -16.059 -0.861 -1.871 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.283 -0.305 -4.580 1.00 3.87 H new ATOM 813 N SER A 52 -18.747 -4.489 0.786 1.00 1.60 N ATOM 814 CA SER A 52 -19.381 -5.455 1.688 1.00 1.96 C ATOM 815 C SER A 52 -19.346 -6.857 1.068 1.00 1.85 C ATOM 816 O SER A 52 -18.812 -7.794 1.663 1.00 2.45 O ATOM 817 CB SER A 52 -20.826 -5.031 1.978 1.00 2.44 C ATOM 818 OG SER A 52 -20.854 -3.758 2.616 1.00 2.65 O ATOM 0 H SER A 52 -19.404 -3.950 0.222 1.00 1.60 H new ATOM 0 HA SER A 52 -18.830 -5.479 2.628 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.393 -4.991 1.048 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.308 -5.774 2.614 1.00 2.44 H new ATOM 0 HG SER A 52 -21.783 -3.501 2.793 1.00 2.65 H new ATOM 824 N GLU A 53 -19.902 -6.985 -0.139 1.00 1.45 N ATOM 825 CA GLU A 53 -19.930 -8.261 -0.863 1.00 1.37 C ATOM 826 C GLU A 53 -18.730 -8.336 -1.808 1.00 1.08 C ATOM 827 O GLU A 53 -18.775 -7.815 -2.929 1.00 1.24 O ATOM 828 CB GLU A 53 -21.242 -8.384 -1.651 1.00 1.73 C ATOM 829 CG GLU A 53 -21.443 -9.800 -2.220 1.00 2.39 C ATOM 830 CD GLU A 53 -22.298 -10.647 -1.287 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.533 -10.486 -1.298 1.00 3.23 O ATOM 832 OE2 GLU A 53 -21.738 -11.476 -0.543 1.00 3.46 O ATOM 0 H GLU A 53 -20.343 -6.214 -0.640 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.873 -9.086 -0.153 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -22.080 -8.132 -1.001 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.244 -7.662 -2.467 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.918 -9.738 -3.199 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -20.474 -10.278 -2.366 1.00 2.39 H new ATOM 839 N VAL A 54 -17.653 -8.975 -1.344 1.00 0.84 N ATOM 840 CA VAL A 54 -16.425 -9.118 -2.138 1.00 0.66 C ATOM 841 C VAL A 54 -16.553 -10.278 -3.139 1.00 0.55 C ATOM 842 O VAL A 54 -16.266 -10.096 -4.323 1.00 0.49 O ATOM 843 CB VAL A 54 -15.189 -9.318 -1.230 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.919 -8.842 -1.942 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.359 -8.579 0.102 1.00 1.34 C ATOM 0 H VAL A 54 -17.604 -9.404 -0.420 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.284 -8.194 -2.698 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.095 -10.383 -1.019 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.059 -8.990 -1.289 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.780 -9.413 -2.860 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.013 -7.783 -2.184 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.476 -8.737 0.721 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.484 -7.513 -0.087 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.238 -8.961 0.621 1.00 1.34 H new ATOM 855 N PRO A 55 -16.991 -11.486 -2.688 1.00 0.62 N ATOM 856 CA PRO A 55 -17.155 -12.656 -3.561 1.00 0.59 C ATOM 857 C PRO A 55 -18.574 -12.729 -4.134 1.00 0.58 C ATOM 858 O PRO A 55 -19.543 -12.874 -3.385 1.00 0.83 O ATOM 859 CB PRO A 55 -16.875 -13.831 -2.622 1.00 0.76 C ATOM 860 CG PRO A 55 -17.181 -13.334 -1.233 1.00 0.87 C ATOM 861 CD PRO A 55 -17.367 -11.830 -1.302 1.00 0.83 C ATOM 0 HA PRO A 55 -16.497 -12.636 -4.430 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.497 -14.690 -2.875 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.837 -14.155 -2.701 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.082 -13.812 -0.847 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.369 -13.586 -0.551 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.397 -11.545 -1.085 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.735 -11.316 -0.578 1.00 0.83 H new ATOM 869 N VAL A 56 -18.691 -12.619 -5.456 1.00 0.41 N ATOM 870 CA VAL A 56 -19.993 -12.661 -6.130 1.00 0.43 C ATOM 871 C VAL A 56 -20.021 -13.777 -7.180 1.00 0.42 C ATOM 872 O VAL A 56 -19.051 -13.980 -7.918 1.00 0.43 O ATOM 873 CB VAL A 56 -20.289 -11.301 -6.782 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.716 -11.257 -7.328 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.073 -10.163 -5.781 1.00 0.63 C ATOM 0 H VAL A 56 -17.898 -12.500 -6.086 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.764 -12.872 -5.389 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.597 -11.171 -7.614 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.901 -10.285 -7.784 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.844 -12.039 -8.076 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.422 -11.416 -6.513 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.288 -9.209 -6.263 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.739 -10.297 -4.928 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.038 -10.171 -5.438 1.00 0.63 H new ATOM 885 N SER A 57 -21.143 -14.492 -7.235 1.00 0.47 N ATOM 886 CA SER A 57 -21.351 -15.593 -8.169 1.00 0.48 C ATOM 887 C SER A 57 -21.691 -15.068 -9.569 1.00 0.46 C ATOM 888 O SER A 57 -22.477 -14.129 -9.720 1.00 0.59 O ATOM 889 CB SER A 57 -22.486 -16.458 -7.642 1.00 0.61 C ATOM 890 OG SER A 57 -22.281 -16.783 -6.269 1.00 0.91 O ATOM 0 H SER A 57 -21.942 -14.320 -6.624 1.00 0.47 H new ATOM 0 HA SER A 57 -20.436 -16.179 -8.251 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.434 -15.932 -7.758 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.555 -17.373 -8.230 1.00 0.61 H new ATOM 0 HG SER A 57 -21.589 -17.473 -6.196 1.00 0.91 H new ATOM 896 N LEU A 58 -21.091 -15.687 -10.582 1.00 0.44 N ATOM 897 CA LEU A 58 -21.294 -15.313 -11.986 1.00 0.49 C ATOM 898 C LEU A 58 -21.671 -16.557 -12.813 1.00 0.60 C ATOM 899 O LEU A 58 -21.282 -16.691 -13.973 1.00 0.89 O ATOM 900 CB LEU A 58 -19.997 -14.680 -12.518 1.00 0.67 C ATOM 901 CG LEU A 58 -20.246 -13.735 -13.692 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.983 -12.476 -13.227 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.923 -13.373 -14.367 1.00 0.86 C ATOM 0 H LEU A 58 -20.446 -16.467 -10.455 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.109 -14.593 -12.068 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.507 -14.133 -11.713 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.313 -15.469 -12.830 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.878 -14.244 -14.420 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -21.150 -11.817 -14.079 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.942 -12.756 -12.791 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -20.382 -11.958 -12.480 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.113 -12.699 -15.202 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.269 -12.882 -13.646 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.442 -14.279 -14.734 1.00 0.86 H new ATOM 915 N LYS A 59 -22.427 -17.471 -12.199 1.00 0.70 N ATOM 916 CA LYS A 59 -22.857 -18.714 -12.848 1.00 0.90 C ATOM 917 C LYS A 59 -24.013 -18.442 -13.819 1.00 0.87 C ATOM 918 O LYS A 59 -25.168 -18.337 -13.407 1.00 0.95 O ATOM 919 CB LYS A 59 -23.272 -19.722 -11.765 1.00 1.13 C ATOM 920 CG LYS A 59 -23.633 -21.092 -12.352 1.00 1.41 C ATOM 921 CD LYS A 59 -23.280 -22.249 -11.401 1.00 1.78 C ATOM 922 CE LYS A 59 -23.381 -21.841 -9.924 1.00 2.18 C ATOM 923 NZ LYS A 59 -23.495 -23.028 -9.031 1.00 2.83 N ATOM 0 H LYS A 59 -22.758 -17.371 -11.239 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.033 -19.130 -13.428 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.458 -19.839 -11.050 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.126 -19.329 -11.214 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.700 -21.120 -12.573 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.108 -21.229 -13.297 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.949 -23.089 -11.590 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -22.268 -22.594 -11.612 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -22.502 -21.260 -9.646 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.248 -21.195 -9.783 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -23.561 -22.713 -8.042 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -24.348 -23.569 -9.280 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -22.656 -23.631 -9.147 1.00 2.83 H new ATOM 937 N GLU A 60 -23.677 -18.324 -15.111 1.00 0.89 N ATOM 938 CA GLU A 60 -24.646 -18.055 -16.193 1.00 0.93 C ATOM 939 C GLU A 60 -25.173 -16.615 -16.118 1.00 0.71 C ATOM 940 O GLU A 60 -26.380 -16.388 -15.995 1.00 0.82 O ATOM 941 CB GLU A 60 -25.820 -19.052 -16.165 1.00 1.20 C ATOM 942 CG GLU A 60 -25.339 -20.508 -16.139 1.00 1.43 C ATOM 943 CD GLU A 60 -26.534 -21.448 -16.221 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.323 -21.501 -15.262 1.00 2.33 O ATOM 945 OE2 GLU A 60 -26.672 -22.151 -17.244 1.00 2.04 O ATOM 0 H GLU A 60 -22.716 -18.413 -15.442 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.116 -18.183 -17.137 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.438 -18.859 -15.288 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.450 -18.894 -17.040 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -24.662 -20.692 -16.973 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.777 -20.699 -15.225 1.00 1.43 H new ATOM 952 N ALA A 61 -24.260 -15.647 -16.198 1.00 0.51 N ATOM 953 CA ALA A 61 -24.617 -14.226 -16.146 1.00 0.35 C ATOM 954 C ALA A 61 -24.923 -13.697 -17.543 1.00 0.35 C ATOM 955 O ALA A 61 -24.228 -14.026 -18.512 1.00 0.43 O ATOM 956 CB ALA A 61 -23.464 -13.423 -15.536 1.00 0.31 C ATOM 0 H ALA A 61 -23.260 -15.821 -16.300 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.507 -14.116 -15.527 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.735 -12.368 -15.500 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.265 -13.782 -14.526 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.570 -13.548 -16.148 1.00 0.31 H new ATOM 962 N ILE A 62 -25.948 -12.855 -17.638 1.00 0.34 N ATOM 963 CA ILE A 62 -26.334 -12.244 -18.909 1.00 0.37 C ATOM 964 C ILE A 62 -25.592 -10.918 -19.048 1.00 0.31 C ATOM 965 O ILE A 62 -25.476 -10.160 -18.082 1.00 0.31 O ATOM 966 CB ILE A 62 -27.850 -12.020 -18.968 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.600 -13.351 -18.814 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.238 -11.339 -20.285 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.113 -13.142 -18.687 1.00 1.27 C ATOM 0 H ILE A 62 -26.529 -12.578 -16.847 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.069 -12.908 -19.732 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.133 -11.368 -18.142 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.392 -13.987 -19.675 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.231 -13.876 -17.933 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.317 -11.187 -20.312 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.734 -10.375 -20.359 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.940 -11.970 -21.122 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.606 -14.108 -18.580 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.323 -12.528 -17.811 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.487 -12.641 -19.580 1.00 1.27 H new ATOM 981 N CYS A 63 -25.071 -10.653 -20.236 1.00 0.34 N ATOM 982 CA CYS A 63 -24.310 -9.434 -20.497 1.00 0.33 C ATOM 983 C CYS A 63 -24.768 -8.783 -21.805 1.00 0.34 C ATOM 984 O CYS A 63 -24.656 -9.377 -22.881 1.00 0.52 O ATOM 985 CB CYS A 63 -22.813 -9.777 -20.547 1.00 0.37 C ATOM 986 SG CYS A 63 -21.788 -8.532 -19.752 1.00 0.53 S ATOM 0 H CYS A 63 -25.161 -11.270 -21.043 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.485 -8.717 -19.695 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.649 -10.740 -20.063 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.504 -9.886 -21.587 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.717 -7.479 -20.511 1.00 0.53 H new ATOM 992 N GLU A 64 -25.270 -7.550 -21.700 1.00 0.26 N ATOM 993 CA GLU A 64 -25.741 -6.781 -22.859 1.00 0.29 C ATOM 994 C GLU A 64 -24.705 -5.715 -23.218 1.00 0.24 C ATOM 995 O GLU A 64 -23.971 -5.240 -22.350 1.00 0.36 O ATOM 996 CB GLU A 64 -27.089 -6.114 -22.546 1.00 0.33 C ATOM 997 CG GLU A 64 -28.085 -7.103 -21.930 1.00 0.81 C ATOM 998 CD GLU A 64 -29.473 -6.482 -21.856 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.609 -5.376 -21.292 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.434 -7.097 -22.355 1.00 1.83 O ATOM 0 H GLU A 64 -25.362 -7.056 -20.812 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.875 -7.457 -23.703 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.932 -5.282 -21.860 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.510 -5.697 -23.461 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.119 -8.014 -22.527 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.754 -7.388 -20.932 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.651 -5.335 -24.489 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.707 -4.320 -24.966 1.00 0.32 C ATOM 1009 C VAL A 65 -24.414 -2.967 -25.102 1.00 0.31 C ATOM 1010 O VAL A 65 -25.454 -2.861 -25.757 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.107 -4.754 -26.316 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.867 -3.917 -26.647 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.763 -6.252 -26.303 1.00 0.39 C ATOM 0 H VAL A 65 -25.254 -5.716 -25.218 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.898 -4.217 -24.243 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.853 -4.584 -27.092 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.456 -4.238 -27.604 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.144 -2.864 -26.705 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.118 -4.053 -25.867 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.341 -6.537 -27.267 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.037 -6.452 -25.515 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.667 -6.831 -26.118 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.837 -1.939 -24.480 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.377 -0.575 -24.509 1.00 0.31 C ATOM 1025 C ALA A 66 -23.386 0.347 -25.226 1.00 0.34 C ATOM 1026 O ALA A 66 -22.328 0.685 -24.686 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.627 -0.083 -23.077 1.00 0.36 C ATOM 0 H ALA A 66 -22.977 -2.027 -23.938 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.324 -0.567 -25.048 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.028 0.930 -23.105 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.342 -0.743 -22.585 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.689 -0.087 -22.522 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.721 0.725 -26.456 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.862 1.585 -27.275 1.00 0.71 C ATOM 1035 C LEU A 67 -23.149 3.069 -27.014 1.00 0.89 C ATOM 1036 O LEU A 67 -22.225 3.861 -26.812 1.00 1.22 O ATOM 1037 CB LEU A 67 -23.081 1.246 -28.758 1.00 0.76 C ATOM 1038 CG LEU A 67 -22.189 2.080 -29.691 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.724 2.018 -29.255 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -22.331 1.601 -31.139 1.00 1.39 C ATOM 0 H LEU A 67 -24.589 0.448 -26.914 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.821 1.403 -27.007 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.879 0.187 -28.919 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -24.127 1.414 -29.015 1.00 0.76 H new ATOM 0 HG LEU A 67 -22.518 3.117 -29.629 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.117 2.617 -29.933 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.629 2.409 -28.242 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.381 0.984 -29.279 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -21.692 2.203 -31.786 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -22.033 0.555 -31.207 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -23.369 1.704 -31.456 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.429 3.449 -27.040 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.824 4.852 -26.835 1.00 1.14 C ATOM 1054 C ASP A 68 -24.995 5.200 -25.347 1.00 0.87 C ATOM 1055 O ASP A 68 -25.967 5.847 -24.960 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.120 5.147 -27.612 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.306 6.649 -27.849 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -25.313 7.404 -27.777 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.447 7.075 -28.123 1.00 2.62 O ATOM 0 H ASP A 68 -25.209 2.811 -27.200 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.019 5.481 -27.216 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.097 4.627 -28.570 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.974 4.757 -27.058 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.023 4.806 -24.525 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.031 5.112 -23.093 1.00 0.69 C ATOM 1066 C TYR A 69 -22.726 5.847 -22.763 1.00 0.97 C ATOM 1067 O TYR A 69 -21.660 5.234 -22.764 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.164 3.825 -22.252 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.903 4.055 -20.948 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.289 4.069 -20.937 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.206 4.253 -19.766 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.974 4.280 -19.754 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.894 4.464 -18.580 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.277 4.476 -18.582 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.965 4.683 -17.405 1.00 0.97 O ATOM 0 H TYR A 69 -23.211 4.268 -24.830 1.00 0.81 H new ATOM 0 HA TYR A 69 -24.889 5.740 -22.851 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.689 3.067 -22.834 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.171 3.431 -22.038 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.836 3.915 -21.855 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.126 4.243 -19.769 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.054 4.291 -19.749 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.352 4.618 -17.659 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.328 4.803 -16.670 1.00 0.97 H new ATOM 1085 N LYS A 70 -22.807 7.168 -22.532 1.00 1.40 N ATOM 1086 CA LYS A 70 -21.637 8.026 -22.237 1.00 1.81 C ATOM 1087 C LYS A 70 -20.769 8.272 -23.486 1.00 1.82 C ATOM 1088 O LYS A 70 -20.135 9.319 -23.603 1.00 2.53 O ATOM 1089 CB LYS A 70 -20.781 7.444 -21.101 1.00 2.43 C ATOM 1090 CG LYS A 70 -21.604 7.227 -19.829 1.00 2.98 C ATOM 1091 CD LYS A 70 -20.736 6.700 -18.693 1.00 3.79 C ATOM 1092 CE LYS A 70 -20.252 7.828 -17.777 1.00 4.45 C ATOM 1093 NZ LYS A 70 -19.445 8.833 -18.525 1.00 4.84 N ATOM 0 H LYS A 70 -23.690 7.678 -22.544 1.00 1.40 H new ATOM 0 HA LYS A 70 -22.034 8.987 -21.911 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -20.347 6.496 -21.420 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -19.952 8.118 -20.888 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -22.069 8.166 -19.529 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -22.411 6.522 -20.031 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -21.303 5.975 -18.109 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -19.876 6.173 -19.107 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -21.110 8.318 -17.318 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -19.654 7.409 -16.968 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -18.954 9.454 -17.851 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -18.745 8.344 -19.119 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -20.072 9.403 -19.128 1.00 4.84 H new ATOM 1107 N LYS A 71 -20.743 7.296 -24.404 1.00 1.80 N ATOM 1108 CA LYS A 71 -19.960 7.368 -25.650 1.00 2.22 C ATOM 1109 C LYS A 71 -18.457 7.421 -25.349 1.00 2.19 C ATOM 1110 O LYS A 71 -17.809 8.458 -25.508 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.390 8.571 -26.506 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.868 8.483 -26.901 1.00 3.56 C ATOM 1113 CD LYS A 71 -22.066 8.808 -28.385 1.00 4.44 C ATOM 1114 CE LYS A 71 -22.158 7.536 -29.241 1.00 5.27 C ATOM 1115 NZ LYS A 71 -23.538 7.328 -29.764 1.00 5.62 N ATOM 0 H LYS A 71 -21.268 6.427 -24.304 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.159 6.462 -26.222 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.215 9.493 -25.952 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.775 8.617 -27.405 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -22.244 7.481 -26.692 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.451 9.175 -26.294 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -22.975 9.397 -28.510 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -21.237 9.423 -28.736 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -21.459 7.606 -30.074 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -21.860 6.673 -28.646 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -23.670 6.325 -30.005 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -24.230 7.604 -29.038 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -23.678 7.910 -30.614 1.00 5.62 H new ATOM 1129 N LYS A 72 -17.922 6.287 -24.915 1.00 2.22 N ATOM 1130 CA LYS A 72 -16.504 6.144 -24.581 1.00 2.54 C ATOM 1131 C LYS A 72 -16.129 4.669 -24.723 1.00 1.92 C ATOM 1132 O LYS A 72 -16.313 3.879 -23.792 1.00 2.45 O ATOM 1133 CB LYS A 72 -16.237 6.648 -23.148 1.00 3.71 C ATOM 1134 CG LYS A 72 -14.737 6.731 -22.833 1.00 4.59 C ATOM 1135 CD LYS A 72 -14.452 6.366 -21.373 1.00 5.67 C ATOM 1136 CE LYS A 72 -12.951 6.403 -21.069 1.00 6.56 C ATOM 1137 NZ LYS A 72 -12.524 7.734 -20.546 1.00 7.03 N ATOM 0 H LYS A 72 -18.461 5.431 -24.783 1.00 2.22 H new ATOM 0 HA LYS A 72 -15.893 6.744 -25.256 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -16.688 7.632 -23.021 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -16.720 5.981 -22.434 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -14.188 6.059 -23.492 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -14.377 7.740 -23.035 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -14.975 7.059 -20.715 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -14.843 5.370 -21.163 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -12.709 5.631 -20.339 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -12.391 6.172 -21.975 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -11.502 7.719 -20.352 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -12.732 8.468 -21.253 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -13.040 7.944 -19.668 1.00 7.03 H new ATOM 1151 N LYS A 73 -15.643 4.306 -25.913 1.00 1.52 N ATOM 1152 CA LYS A 73 -15.256 2.935 -26.258 1.00 1.35 C ATOM 1153 C LYS A 73 -16.477 2.014 -26.268 1.00 1.05 C ATOM 1154 O LYS A 73 -17.128 1.854 -27.303 1.00 1.79 O ATOM 1155 CB LYS A 73 -14.166 2.404 -25.315 1.00 1.94 C ATOM 1156 CG LYS A 73 -12.821 3.074 -25.604 1.00 2.32 C ATOM 1157 CD LYS A 73 -12.285 2.671 -26.982 1.00 2.93 C ATOM 1158 CE LYS A 73 -12.489 3.775 -28.031 1.00 3.52 C ATOM 1159 NZ LYS A 73 -12.870 3.209 -29.363 1.00 3.96 N ATOM 0 H LYS A 73 -15.505 4.968 -26.677 1.00 1.52 H new ATOM 0 HA LYS A 73 -14.835 2.950 -27.263 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -14.454 2.588 -24.280 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -14.072 1.324 -25.433 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -12.934 4.157 -25.558 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -12.100 2.795 -24.835 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -11.223 2.439 -26.903 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.786 1.761 -27.313 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -13.265 4.461 -27.691 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -11.572 4.356 -28.131 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -13.147 3.981 -30.002 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -12.060 2.698 -29.768 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -13.669 2.553 -29.246 1.00 3.96 H new ATOM 1173 N HIS A 74 -16.786 1.422 -25.121 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.934 0.518 -25.002 1.00 0.38 C ATOM 1175 C HIS A 74 -18.297 0.262 -23.537 1.00 0.30 C ATOM 1176 O HIS A 74 -17.424 0.121 -22.672 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.629 -0.825 -25.698 1.00 0.64 C ATOM 1178 CG HIS A 74 -18.466 -1.064 -26.915 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -17.956 -1.047 -28.181 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -19.786 -1.342 -27.071 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -18.886 -1.297 -29.069 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -20.027 -1.486 -28.422 1.00 1.53 N ATOM 0 H HIS A 74 -16.260 1.549 -24.256 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.783 0.999 -25.487 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.576 -0.850 -25.979 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.789 -1.638 -24.990 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -16.978 -0.864 -28.406 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -20.516 -1.434 -26.280 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -18.747 -1.341 -30.139 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.603 0.163 -23.296 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.165 -0.124 -21.976 1.00 0.23 C ATOM 1192 C VAL A 75 -21.006 -1.398 -22.101 1.00 0.22 C ATOM 1193 O VAL A 75 -21.546 -1.679 -23.174 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.050 1.052 -21.511 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.693 0.759 -20.154 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.252 2.356 -21.436 1.00 0.31 C ATOM 0 H VAL A 75 -20.311 0.281 -24.021 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.371 -0.260 -21.242 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.839 1.171 -22.254 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.310 1.606 -19.853 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.314 -0.134 -20.231 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.914 0.596 -19.410 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.905 3.164 -21.105 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.431 2.240 -20.728 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.851 2.594 -22.421 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.131 -2.165 -21.027 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.933 -3.389 -21.059 1.00 0.23 C ATOM 1208 C PHE A 76 -22.692 -3.564 -19.748 1.00 0.22 C ATOM 1209 O PHE A 76 -22.159 -3.327 -18.659 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.077 -4.628 -21.392 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.957 -4.939 -20.417 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.203 -5.728 -19.304 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.674 -4.474 -20.661 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.173 -6.047 -18.434 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.641 -4.797 -19.796 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.890 -5.584 -18.682 1.00 0.29 C ATOM 0 H PHE A 76 -20.693 -1.967 -20.127 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.663 -3.290 -21.862 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.734 -5.496 -21.449 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.643 -4.491 -22.382 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.201 -6.095 -19.114 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.479 -3.859 -21.527 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.369 -6.656 -17.564 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.642 -4.436 -19.989 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.085 -5.836 -18.008 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.952 -3.982 -19.874 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.837 -4.211 -18.735 1.00 0.28 C ATOM 1228 C LYS A 77 -24.707 -5.662 -18.304 1.00 0.31 C ATOM 1229 O LYS A 77 -25.084 -6.573 -19.040 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.287 -3.896 -19.128 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.222 -3.887 -17.912 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.156 -2.669 -17.920 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.489 -2.979 -18.607 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.353 -3.033 -20.092 1.00 1.95 N ATOM 0 H LYS A 77 -24.389 -4.172 -20.776 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.559 -3.559 -17.907 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.326 -2.926 -19.623 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.636 -4.635 -19.849 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.816 -4.801 -17.904 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.629 -3.884 -16.997 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.341 -2.346 -16.895 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.668 -1.840 -18.432 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.871 -3.933 -18.243 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -30.221 -2.218 -18.337 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.224 -2.675 -20.534 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.547 -2.446 -20.388 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.193 -4.016 -20.390 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.152 -5.863 -17.121 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.931 -7.197 -16.572 1.00 0.24 C ATOM 1250 C LEU A 78 -25.023 -7.535 -15.552 1.00 0.29 C ATOM 1251 O LEU A 78 -25.065 -6.965 -14.456 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.534 -7.240 -15.936 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.143 -8.620 -15.410 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.741 -9.754 -16.246 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.625 -8.755 -15.355 1.00 0.86 C ATOM 0 H LEU A 78 -23.840 -5.107 -16.511 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.982 -7.945 -17.363 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.798 -6.920 -16.674 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.495 -6.523 -15.116 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.554 -8.707 -14.404 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.433 -10.714 -15.831 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.829 -9.684 -16.230 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.388 -9.674 -17.274 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.361 -9.743 -14.978 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.212 -8.626 -16.355 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.216 -7.993 -14.692 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.895 -8.471 -15.929 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.994 -8.930 -15.081 1.00 0.40 C ATOM 1269 C ARG A 79 -26.615 -10.273 -14.468 1.00 0.45 C ATOM 1270 O ARG A 79 -26.580 -11.296 -15.158 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.282 -9.068 -15.908 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.427 -9.689 -15.093 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.617 -10.068 -15.984 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.223 -8.887 -16.608 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.486 -7.777 -15.926 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.037 -7.851 -14.722 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -31.179 -6.596 -16.442 1.00 2.99 N ATOM 0 H ARG A 79 -25.858 -8.934 -16.837 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.174 -8.203 -14.289 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.587 -8.086 -16.271 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.085 -9.685 -16.785 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.064 -10.576 -14.573 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.754 -8.984 -14.329 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.286 -10.760 -16.759 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.366 -10.590 -15.389 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.451 -8.919 -17.602 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.260 -8.761 -14.318 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -32.238 -6.998 -14.200 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -30.741 -6.539 -17.362 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -31.380 -5.743 -15.920 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.316 -10.261 -13.175 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.923 -11.462 -12.449 1.00 0.68 C ATOM 1293 C LEU A 80 -27.098 -12.420 -12.268 1.00 0.84 C ATOM 1294 O LEU A 80 -28.264 -12.015 -12.257 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.362 -11.075 -11.083 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.038 -10.341 -11.244 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.266 -8.868 -11.495 1.00 1.26 C ATOM 1298 CD2 LEU A 80 -23.133 -10.563 -10.034 1.00 1.06 C ATOM 0 H LEU A 80 -26.339 -9.419 -12.600 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.159 -11.974 -13.035 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.075 -10.441 -10.556 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.219 -11.968 -10.475 1.00 0.82 H new ATOM 0 HG LEU A 80 -23.529 -10.754 -12.115 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.305 -8.365 -11.607 1.00 1.26 H new ATOM 0 HD12 LEU A 80 -24.851 -8.740 -12.406 1.00 1.26 H new ATOM 0 HD13 LEU A 80 -24.807 -8.435 -10.653 1.00 1.26 H new ATOM 0 HD21 LEU A 80 -22.195 -10.027 -10.178 1.00 1.06 H new ATOM 0 HD22 LEU A 80 -23.628 -10.193 -9.136 1.00 1.06 H new ATOM 0 HD23 LEU A 80 -22.929 -11.628 -9.923 1.00 1.06 H new ATOM 1310 N SER A 81 -26.764 -13.691 -12.105 1.00 1.01 N ATOM 1311 CA SER A 81 -27.745 -14.760 -11.899 1.00 1.23 C ATOM 1312 C SER A 81 -28.169 -14.816 -10.420 1.00 1.40 C ATOM 1313 O SER A 81 -28.227 -15.881 -9.808 1.00 1.92 O ATOM 1314 CB SER A 81 -27.127 -16.092 -12.353 1.00 1.52 C ATOM 1315 OG SER A 81 -25.712 -16.082 -12.172 1.00 2.18 O ATOM 0 H SER A 81 -25.798 -14.018 -12.111 1.00 1.01 H new ATOM 0 HA SER A 81 -28.640 -14.565 -12.489 1.00 1.23 H new ATOM 0 HB2 SER A 81 -27.565 -16.913 -11.786 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.363 -16.268 -13.403 1.00 1.52 H new ATOM 0 HG SER A 81 -25.367 -16.997 -12.237 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.452 -13.643 -9.860 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.863 -13.501 -8.461 1.00 1.76 C ATOM 1323 C ASP A 82 -29.983 -12.462 -8.383 1.00 1.31 C ATOM 1324 O ASP A 82 -31.156 -12.798 -8.232 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.634 -13.086 -7.617 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.025 -12.576 -6.227 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -28.367 -13.408 -5.359 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.995 -11.350 -6.004 1.00 3.98 O ATOM 0 H ASP A 82 -28.403 -12.758 -10.364 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.242 -14.443 -8.064 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.964 -13.939 -7.513 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.081 -12.309 -8.144 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.598 -11.199 -8.489 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.526 -10.074 -8.433 1.00 1.53 C ATOM 1335 C GLY A 83 -29.719 -8.797 -8.266 1.00 1.31 C ATOM 1336 O GLY A 83 -29.919 -8.039 -7.293 1.00 1.88 O ATOM 0 H GLY A 83 -28.625 -10.921 -8.617 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.124 -10.029 -9.344 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.220 -10.196 -7.602 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.788 -8.583 -9.221 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.894 -7.433 -9.226 1.00 0.71 C ATOM 1342 C ASN A 84 -27.636 -7.041 -10.677 1.00 0.62 C ATOM 1343 O ASN A 84 -27.505 -7.917 -11.537 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.567 -7.808 -8.538 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.592 -7.469 -7.047 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.286 -6.345 -6.659 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.943 -8.436 -6.208 1.00 1.32 N ATOM 0 H ASN A 84 -28.645 -9.214 -10.009 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.342 -6.599 -8.686 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.378 -8.874 -8.667 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.745 -7.278 -9.019 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.965 -8.257 -5.204 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.191 -9.358 -6.567 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.572 -5.735 -10.937 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.334 -5.200 -12.281 1.00 0.55 C ATOM 1356 C GLU A 85 -26.290 -4.083 -12.207 1.00 0.47 C ATOM 1357 O GLU A 85 -26.488 -3.088 -11.494 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.641 -4.652 -12.862 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.623 -5.776 -13.191 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.922 -5.205 -13.743 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.872 -4.429 -14.718 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.998 -5.506 -13.186 1.00 1.39 O ATOM 0 H GLU A 85 -27.684 -5.016 -10.222 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.966 -5.997 -12.927 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.098 -3.966 -12.149 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.427 -4.079 -13.764 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.178 -6.454 -13.920 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.828 -6.362 -12.295 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.183 -4.250 -12.934 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.095 -3.258 -12.948 1.00 0.31 C ATOM 1371 C TYR A 86 -23.717 -2.867 -14.382 1.00 0.29 C ATOM 1372 O TYR A 86 -23.696 -3.711 -15.281 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.832 -3.821 -12.265 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.064 -4.490 -10.925 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.490 -3.748 -9.841 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.828 -5.848 -10.775 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.681 -4.355 -8.612 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.022 -6.457 -9.546 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.448 -5.706 -8.469 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.635 -6.305 -7.245 1.00 0.77 O ATOM 0 H TYR A 86 -25.012 -5.064 -13.524 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.459 -2.383 -12.409 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.367 -4.542 -12.937 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.120 -3.007 -12.128 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.675 -2.690 -9.953 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.492 -6.433 -11.619 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.012 -3.771 -7.766 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.841 -7.515 -9.431 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.567 -6.193 -6.965 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.357 -1.594 -14.566 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.898 -1.080 -15.859 1.00 0.23 C ATOM 1392 C LEU A 87 -21.376 -1.081 -15.827 1.00 0.22 C ATOM 1393 O LEU A 87 -20.774 -0.434 -14.962 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.391 0.353 -16.107 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.901 0.434 -16.348 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.268 1.800 -16.939 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.380 -0.686 -17.266 1.00 0.38 C ATOM 0 H LEU A 87 -23.375 -0.893 -13.826 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.292 -1.707 -16.659 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.132 0.974 -15.249 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.868 0.767 -16.969 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.402 0.314 -15.387 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.344 1.847 -17.106 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.974 2.588 -16.245 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.747 1.938 -17.886 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.456 -0.598 -17.416 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.872 -0.610 -18.228 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.154 -1.651 -16.811 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.757 -1.821 -16.735 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.301 -1.929 -16.784 1.00 0.19 C ATOM 1411 C PHE A 88 -18.739 -1.247 -18.033 1.00 0.20 C ATOM 1412 O PHE A 88 -19.211 -1.483 -19.144 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.908 -3.403 -16.774 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.886 -4.007 -15.386 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.876 -3.677 -14.492 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.882 -4.890 -15.001 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.870 -4.227 -13.221 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.872 -5.440 -13.730 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.825 -5.122 -12.847 1.00 0.22 C ATOM 0 H PHE A 88 -21.241 -2.360 -17.453 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.883 -1.427 -15.911 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.607 -3.963 -17.395 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.922 -3.512 -17.226 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.095 -2.992 -14.788 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.668 -5.150 -15.694 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.100 -3.943 -12.519 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.662 -6.108 -13.420 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.779 -5.587 -11.873 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.708 -0.421 -17.840 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.035 0.287 -18.940 1.00 0.26 C ATOM 1431 C GLN A 89 -15.641 -0.298 -19.132 1.00 0.22 C ATOM 1432 O GLN A 89 -14.890 -0.455 -18.158 1.00 0.25 O ATOM 1433 CB GLN A 89 -16.923 1.788 -18.639 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.964 2.631 -19.919 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.938 4.119 -19.576 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.237 4.539 -18.655 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.699 4.916 -20.311 1.00 1.63 N ATOM 0 H GLN A 89 -17.314 -0.222 -16.920 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.624 0.162 -19.849 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.738 2.088 -17.980 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -15.993 1.983 -18.105 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.113 2.382 -20.553 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.864 2.398 -20.487 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.265 4.527 -21.065 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.719 5.918 -20.123 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.306 -0.611 -20.381 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.002 -1.184 -20.726 1.00 0.24 C ATOM 1448 C ALA A 90 -13.000 -0.082 -21.091 1.00 0.27 C ATOM 1449 O ALA A 90 -13.386 1.018 -21.495 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.161 -2.157 -21.900 1.00 0.29 C ATOM 0 H ALA A 90 -15.925 -0.477 -21.181 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.618 -1.720 -19.858 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.190 -2.582 -22.155 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.845 -2.958 -21.619 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.561 -1.624 -22.762 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.707 -0.397 -20.952 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.628 0.545 -21.270 1.00 0.44 C ATOM 1458 C LYS A 91 -10.469 0.677 -22.790 1.00 0.49 C ATOM 1459 O LYS A 91 -10.271 1.775 -23.312 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.310 0.079 -20.627 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.031 -1.407 -20.886 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.677 -1.827 -20.317 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.504 -1.302 -21.162 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.564 -1.785 -22.577 1.00 2.29 N ATOM 0 H LYS A 91 -11.381 -1.304 -20.619 1.00 0.35 H new ATOM 0 HA LYS A 91 -10.884 1.524 -20.864 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.486 0.675 -21.019 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.349 0.257 -19.552 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.819 -2.011 -20.436 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -9.053 -1.601 -21.958 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.582 -1.455 -19.297 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.628 -2.915 -20.266 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.511 -0.212 -21.152 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -5.564 -1.619 -20.711 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.622 -1.705 -23.011 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.869 -2.779 -22.592 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.243 -1.207 -23.113 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.579 -0.458 -23.486 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.473 -0.522 -24.946 1.00 0.66 C ATOM 1480 C ASP A 92 -11.761 -1.106 -25.517 1.00 0.59 C ATOM 1481 O ASP A 92 -12.529 -1.761 -24.804 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.281 -1.402 -25.356 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.025 -0.564 -25.540 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -7.400 -0.187 -24.530 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -7.666 -0.272 -26.697 1.00 1.77 O ATOM 0 H ASP A 92 -10.745 -1.365 -23.049 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.317 0.483 -25.338 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.107 -2.163 -24.595 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.513 -1.926 -26.283 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.984 -0.875 -26.808 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.180 -1.376 -27.508 1.00 0.63 C ATOM 1492 C ASP A 93 -13.178 -2.910 -27.550 1.00 0.49 C ATOM 1493 O ASP A 93 -14.169 -3.555 -27.198 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.233 -0.796 -28.943 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.570 -0.111 -29.207 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.589 -0.819 -29.376 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.609 1.135 -29.249 1.00 2.21 O ATOM 0 H ASP A 93 -11.350 -0.340 -27.402 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.066 -1.051 -26.963 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.421 -0.082 -29.081 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.081 -1.595 -29.668 1.00 0.83 H new ATOM 1502 N GLU A 94 -12.048 -3.487 -27.965 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.886 -4.948 -28.055 1.00 0.41 C ATOM 1504 C GLU A 94 -12.020 -5.610 -26.678 1.00 0.36 C ATOM 1505 O GLU A 94 -12.546 -6.722 -26.559 1.00 0.41 O ATOM 1506 CB GLU A 94 -10.520 -5.292 -28.664 1.00 0.49 C ATOM 1507 CG GLU A 94 -10.214 -4.446 -29.909 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.318 -3.267 -29.552 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.842 -2.238 -29.079 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.091 -3.362 -29.755 1.00 2.59 O ATOM 0 H GLU A 94 -11.221 -2.962 -28.248 1.00 0.41 H new ATOM 0 HA GLU A 94 -12.678 -5.332 -28.698 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.741 -5.134 -27.918 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -10.498 -6.349 -28.930 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.727 -5.064 -30.664 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -11.144 -4.083 -30.346 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.549 -4.907 -25.641 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.605 -5.391 -24.253 1.00 0.29 C ATOM 1519 C GLU A 95 -13.039 -5.758 -23.847 1.00 0.24 C ATOM 1520 O GLU A 95 -13.247 -6.680 -23.057 1.00 0.23 O ATOM 1521 CB GLU A 95 -11.044 -4.318 -23.313 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.184 -4.920 -22.198 1.00 0.42 C ATOM 1523 CD GLU A 95 -8.715 -4.952 -22.604 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -8.174 -3.897 -22.991 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.099 -6.030 -22.540 1.00 1.30 O ATOM 0 H GLU A 95 -11.118 -3.987 -25.738 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.999 -6.294 -24.178 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.447 -3.610 -23.888 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.868 -3.757 -22.872 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.301 -4.335 -21.286 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -10.526 -5.930 -21.974 1.00 0.42 H new ATOM 1532 N MET A 96 -14.023 -5.043 -24.413 1.00 0.24 N ATOM 1533 CA MET A 96 -15.445 -5.300 -24.135 1.00 0.22 C ATOM 1534 C MET A 96 -15.813 -6.738 -24.524 1.00 0.22 C ATOM 1535 O MET A 96 -16.487 -7.439 -23.770 1.00 0.23 O ATOM 1536 CB MET A 96 -16.314 -4.299 -24.914 1.00 0.26 C ATOM 1537 CG MET A 96 -17.809 -4.617 -24.806 1.00 0.39 C ATOM 1538 SD MET A 96 -18.420 -5.607 -26.190 1.00 0.94 S ATOM 1539 CE MET A 96 -18.006 -4.569 -27.605 1.00 0.77 C ATOM 0 H MET A 96 -13.859 -4.279 -25.069 1.00 0.24 H new ATOM 0 HA MET A 96 -15.626 -5.175 -23.068 1.00 0.22 H new ATOM 0 HB2 MET A 96 -16.131 -3.293 -24.537 1.00 0.26 H new ATOM 0 HB3 MET A 96 -16.019 -4.305 -25.963 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.995 -5.151 -23.874 1.00 0.39 H new ATOM 0 HG3 MET A 96 -18.371 -3.684 -24.757 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.917 -4.309 -28.144 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.517 -3.659 -27.258 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.333 -5.111 -28.270 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.346 -7.177 -25.696 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.615 -8.536 -26.181 1.00 0.28 C ATOM 1551 C ASN A 97 -14.891 -9.568 -25.305 1.00 0.26 C ATOM 1552 O ASN A 97 -15.458 -10.603 -24.950 1.00 0.29 O ATOM 1553 CB ASN A 97 -15.170 -8.670 -27.649 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.803 -9.900 -28.311 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.966 -10.221 -28.066 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.045 -10.578 -29.158 1.00 1.24 N ATOM 0 H ASN A 97 -14.779 -6.611 -26.328 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.687 -8.725 -26.122 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.451 -7.772 -28.200 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -14.084 -8.747 -27.697 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.420 -11.398 -29.634 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.086 -10.280 -29.335 1.00 1.24 H new ATOM 1563 N THR A 98 -13.638 -9.264 -24.949 1.00 0.25 N ATOM 1564 CA THR A 98 -12.820 -10.145 -24.102 1.00 0.27 C ATOM 1565 C THR A 98 -13.467 -10.345 -22.716 1.00 0.23 C ATOM 1566 O THR A 98 -13.508 -11.465 -22.197 1.00 0.27 O ATOM 1567 CB THR A 98 -11.400 -9.557 -23.957 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.977 -8.978 -25.191 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.396 -10.631 -23.521 1.00 0.39 C ATOM 0 H THR A 98 -13.164 -8.408 -25.236 1.00 0.25 H new ATOM 0 HA THR A 98 -12.756 -11.122 -24.581 1.00 0.27 H new ATOM 0 HB THR A 98 -11.436 -8.786 -23.187 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.076 -8.607 -25.086 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.405 -10.186 -23.428 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.700 -11.045 -22.560 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.368 -11.427 -24.266 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.976 -9.257 -22.125 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.619 -9.309 -20.804 1.00 0.20 C ATOM 1579 C TRP A 99 -15.973 -10.030 -20.877 1.00 0.21 C ATOM 1580 O TRP A 99 -16.252 -10.905 -20.059 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.804 -7.885 -20.243 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.622 -7.401 -19.447 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.743 -6.411 -19.798 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.190 -7.883 -18.152 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.819 -6.268 -18.803 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.059 -7.140 -17.788 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.652 -8.868 -17.270 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.392 -7.352 -16.592 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.987 -9.082 -16.070 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.870 -8.329 -15.733 1.00 0.29 C ATOM 0 H TRP A 99 -13.955 -8.326 -22.542 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.970 -9.872 -20.134 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -14.983 -7.197 -21.069 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.692 -7.863 -19.611 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -12.775 -5.837 -20.712 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.051 -5.597 -18.819 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.521 -9.458 -17.522 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.520 -6.769 -16.335 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.343 -9.843 -15.391 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.369 -8.506 -14.793 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.812 -9.663 -21.857 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.142 -10.283 -22.027 1.00 0.24 C ATOM 1603 C ILE A 100 -18.018 -11.798 -22.238 1.00 0.28 C ATOM 1604 O ILE A 100 -18.767 -12.576 -21.642 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.893 -9.622 -23.199 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.376 -8.225 -22.790 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.086 -10.475 -23.657 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -20.103 -7.522 -23.935 1.00 0.29 C ATOM 0 H ILE A 100 -16.597 -8.941 -22.545 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.717 -10.122 -21.115 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.200 -9.538 -24.036 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.042 -8.307 -21.931 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.524 -7.623 -22.475 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.592 -9.978 -24.485 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.731 -11.452 -23.983 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.783 -10.600 -22.828 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.430 -6.535 -23.607 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.428 -7.417 -24.784 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.970 -8.112 -24.232 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.060 -12.216 -23.069 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.833 -13.642 -23.337 1.00 0.35 C ATOM 1622 C GLN A 101 -16.333 -14.350 -22.070 1.00 0.36 C ATOM 1623 O GLN A 101 -16.758 -15.467 -21.765 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.830 -13.810 -24.483 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.486 -13.509 -25.835 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.496 -13.738 -26.974 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.345 -13.302 -26.907 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.938 -14.417 -28.021 1.00 1.76 N ATOM 0 H GLN A 101 -16.429 -11.590 -23.568 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.777 -14.099 -23.634 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.982 -13.143 -24.330 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.439 -14.828 -24.483 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.360 -14.146 -25.971 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.838 -12.477 -25.853 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.898 -14.761 -28.037 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.318 -14.596 -28.811 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.455 -13.679 -21.314 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.921 -14.230 -20.058 1.00 0.37 C ATOM 1639 C ALA A 102 -16.038 -14.334 -19.010 1.00 0.38 C ATOM 1640 O ALA A 102 -16.121 -15.317 -18.271 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.784 -13.345 -19.538 1.00 0.38 C ATOM 0 H ALA A 102 -15.098 -12.753 -21.549 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.528 -15.229 -20.249 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.395 -13.761 -18.608 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.986 -13.305 -20.279 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.161 -12.338 -19.356 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.904 -13.319 -18.975 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.045 -13.270 -18.052 1.00 0.38 C ATOM 1649 C ILE A 103 -19.058 -14.376 -18.393 1.00 0.47 C ATOM 1650 O ILE A 103 -19.617 -15.014 -17.500 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.703 -11.878 -18.127 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.875 -10.862 -17.330 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.149 -11.896 -17.613 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.085 -9.434 -17.838 1.00 0.35 C ATOM 0 H ILE A 103 -16.836 -12.505 -19.586 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.696 -13.441 -17.034 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.731 -11.585 -19.176 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.149 -10.917 -16.276 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.818 -11.120 -17.399 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.573 -10.894 -17.684 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.741 -12.584 -18.216 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.161 -12.222 -16.573 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.481 -8.745 -17.247 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.786 -9.373 -18.884 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.137 -9.166 -17.745 1.00 0.35 H new ATOM 1666 N SER A 104 -19.280 -14.599 -19.692 1.00 0.53 N ATOM 1667 CA SER A 104 -20.215 -15.628 -20.164 1.00 0.66 C ATOM 1668 C SER A 104 -19.675 -17.041 -19.888 1.00 0.72 C ATOM 1669 O SER A 104 -20.447 -17.978 -19.669 1.00 0.89 O ATOM 1670 CB SER A 104 -20.467 -15.436 -21.660 1.00 0.81 C ATOM 1671 OG SER A 104 -20.950 -14.120 -21.917 1.00 1.05 O ATOM 0 H SER A 104 -18.823 -14.078 -20.440 1.00 0.53 H new ATOM 0 HA SER A 104 -21.154 -15.522 -19.620 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.545 -15.607 -22.216 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.191 -16.171 -22.011 1.00 0.81 H new ATOM 0 HG SER A 104 -20.192 -13.518 -22.074 1.00 1.05 H new ATOM 1677 N SER A 105 -18.347 -17.181 -19.881 1.00 0.80 N ATOM 1678 CA SER A 105 -17.695 -18.466 -19.609 1.00 1.13 C ATOM 1679 C SER A 105 -17.694 -18.739 -18.098 1.00 1.23 C ATOM 1680 O SER A 105 -18.055 -19.831 -17.661 1.00 1.61 O ATOM 1681 CB SER A 105 -16.262 -18.447 -20.156 1.00 1.48 C ATOM 1682 OG SER A 105 -16.266 -18.156 -21.552 1.00 1.63 O ATOM 0 H SER A 105 -17.698 -16.415 -20.062 1.00 0.80 H new ATOM 0 HA SER A 105 -18.246 -19.265 -20.106 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.673 -17.700 -19.624 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.786 -19.412 -19.981 1.00 1.48 H new ATOM 0 HG SER A 105 -16.580 -17.239 -21.694 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.309 -17.720 -17.317 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.269 -17.793 -15.851 1.00 1.59 C ATOM 1690 C ALA A 106 -16.247 -18.830 -15.367 1.00 2.40 C ATOM 1691 O ALA A 106 -16.652 -19.932 -14.939 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.668 -18.091 -15.298 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.036 -18.536 -15.405 1.00 3.05 O ATOM 0 H ALA A 106 -17.015 -16.816 -17.688 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.946 -16.824 -15.470 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.626 -18.143 -14.210 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.354 -17.298 -15.597 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.020 -19.044 -15.693 1.00 1.90 H new TER 1699 ALA A 106