USER MOD reduce.3.24.130724 H: found=0, std=0, add=1124, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 1124 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 112 ASN : amide:sc= -2.45! C(o=-0.46!,f=-13!) USER MOD Set 1.2: A 152 LYS NZ :NH3+ 162:sc= 1.99 (180deg=0.635) USER MOD Set 2.1: A 133 THR OG1 : rot 90:sc= 0.887 USER MOD Set 2.2: A 136 THR OG1 : rot 94:sc= 1.21 USER MOD Set 3.1: A 10 LYS NZ :NH3+ 151:sc= 1.25 (180deg=-0.252) USER MOD Set 3.2: A 96 SER OG : rot -18:sc= 1.06 USER MOD Set 4.1: A 52 ASN : amide:sc= -5.12! C(o=-5.1!,f=-5.4!) USER MOD Set 4.2: A 70 ASN : amide:sc= -0.692 X(o=-5.1,f=-5.3) USER MOD Set 4.3: A 85 THR OG1 : rot -33:sc= 0.738 USER MOD Set 5.1: A 76 ASN : amide:sc= 0.988 K(o=1.9,f=-1.3!) USER MOD Set 5.2: A 78 THR OG1 : rot -78:sc= 0.908 USER MOD Set 6.1: A 60 LYS NZ :NH3+ 175:sc= -4.92! (180deg=-5.38!) USER MOD Set 6.2: A 62 THR OG1 : rot -49:sc= -1.75 USER MOD Set 7.1: A 53 TYR OH : rot -6:sc= -0.564 USER MOD Set 7.2: A 83 TYR OH : rot 180:sc= 0.0582 USER MOD Set 7.3: A 117 ASN : amide:sc= 1.19 K(o=0.69,f=-0.52) USER MOD Set 8.1: A 45 ASN :FLIP amide:sc= 0.466 F(o=0.17,f=0.97) USER MOD Set 8.2: A 46 THR OG1 : rot 180:sc= 0.503 USER MOD Set 9.1: A 34 SER OG : rot 66:sc= 0.765 USER MOD Set 9.2: A 36 SER OG : rot 180:sc= 0.684 USER MOD Set10.1: A 26 ASN : amide:sc= 0 X(o=-0.45,f=-0.45) USER MOD Set10.2: A 35 TYR OH : rot 180:sc= -0.452 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -1.63! (180deg=-1.96!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 4 SER OG : rot 180:sc= 0.1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 SER OG : rot -130:sc= -0.172 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -155:sc= -0.215 (180deg=-0.808) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -88:sc= 1.3 USER MOD Single : A 29 TYR OH : rot 37:sc= -0.439 USER MOD Single : A 32 GLN : amide:sc= 0.911 K(o=0.91,f=-0.3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -8:sc= 0.834 USER MOD Single : A 41 THR OG1 : rot 130:sc= 1.22 USER MOD Single : A 47 SER OG : rot -38:sc= 0.879 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.115 F(o=-1.5,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.01! C(o=-6!,f=-9.3!) USER MOD Single : A 75 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 82 TYR OH : rot 49:sc= 0.779 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 0.825 (180deg=-0.298) USER MOD Single : A 99 THR OG1 : rot 2:sc= 0.723 USER MOD Single : A 101 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.6!) USER MOD Single : A 104 THR OG1 : rot -83:sc= -0.82 USER MOD Single : A 105 SER OG : rot -99:sc= 1.31 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 0:sc= -0.114 USER MOD Single : A 114 SER OG : rot -160:sc= -0.274 USER MOD Single : A 118 ASN :FLIP amide:sc= -0.328 F(o=-3.1!,f=-0.33) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00721 USER MOD Single : A 121 SER OG : rot 180:sc= 0.141 USER MOD Single : A 124 ASN : amide:sc=-0.00878 K(o=-0.0088,f=-1.8) USER MOD Single : A 125 SER OG : rot 180:sc= -0.122 USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 131 LYS NZ :NH3+ -127:sc= -1.04 (180deg=-4.24!) USER MOD Single : A 132 SER OG : rot 100:sc= -0.671 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.975) USER MOD Single : A 146 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.7!) USER MOD Single : A 147 THR OG1 : rot -101:sc= -0.196 USER MOD Single : A 149 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 150 THR OG1 : rot 44:sc= 1.43 USER MOD Single : A 151 ASN : amide:sc= -0.618 K(o=-0.62,f=-3.2!) USER MOD Single : A 154 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -136:sc= -1.81! (180deg=-2.79!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.679 4.269 -0.094 1.00 7.47 N ATOM 2 CA MET A 1 -20.157 4.236 -0.226 1.00 7.05 C ATOM 3 C MET A 1 -20.594 2.939 -0.897 1.00 6.18 C ATOM 4 O MET A 1 -21.712 2.832 -1.402 1.00 6.26 O ATOM 5 CB MET A 1 -20.645 5.436 -1.044 1.00 7.58 C ATOM 6 CG MET A 1 -20.365 6.778 -0.389 1.00 8.43 C ATOM 7 SD MET A 1 -20.876 8.171 -1.414 1.00 9.37 S ATOM 8 CE MET A 1 -20.406 9.548 -0.367 1.00 9.99 C ATOM 0 H1 MET A 1 -18.377 5.223 0.189 1.00 7.47 H new ATOM 0 H2 MET A 1 -18.380 3.583 0.628 1.00 7.47 H new ATOM 0 H3 MET A 1 -18.243 4.025 -1.006 1.00 7.47 H new ATOM 0 HA MET A 1 -20.597 4.287 0.770 1.00 7.05 H new ATOM 0 HB2 MET A 1 -20.169 5.414 -2.024 1.00 7.58 H new ATOM 0 HB3 MET A 1 -21.718 5.339 -1.209 1.00 7.58 H new ATOM 0 HG2 MET A 1 -20.884 6.826 0.568 1.00 8.43 H new ATOM 0 HG3 MET A 1 -19.299 6.859 -0.177 1.00 8.43 H new ATOM 0 HE1 MET A 1 -20.658 10.485 -0.863 1.00 9.99 H new ATOM 0 HE2 MET A 1 -20.941 9.484 0.581 1.00 9.99 H new ATOM 0 HE3 MET A 1 -19.333 9.514 -0.181 1.00 9.99 H new ATOM 20 N GLU A 2 -19.706 1.952 -0.883 1.00 5.66 N ATOM 21 CA GLU A 2 -19.909 0.714 -1.617 1.00 5.12 C ATOM 22 C GLU A 2 -19.961 -0.474 -0.663 1.00 4.18 C ATOM 23 O GLU A 2 -20.182 -0.310 0.537 1.00 4.52 O ATOM 24 CB GLU A 2 -18.769 0.517 -2.627 1.00 5.99 C ATOM 25 CG GLU A 2 -18.721 1.554 -3.746 1.00 6.56 C ATOM 26 CD GLU A 2 -18.328 2.949 -3.281 1.00 7.11 C ATOM 27 OE1 GLU A 2 -17.626 3.079 -2.254 1.00 7.34 O ATOM 28 OE2 GLU A 2 -18.724 3.924 -3.945 1.00 7.54 O ATOM 0 H GLU A 2 -18.829 1.989 -0.364 1.00 5.66 H new ATOM 0 HA GLU A 2 -20.859 0.777 -2.147 1.00 5.12 H new ATOM 0 HB2 GLU A 2 -17.820 0.537 -2.091 1.00 5.99 H new ATOM 0 HB3 GLU A 2 -18.863 -0.474 -3.072 1.00 5.99 H new ATOM 0 HG2 GLU A 2 -18.012 1.222 -4.505 1.00 6.56 H new ATOM 0 HG3 GLU A 2 -19.700 1.604 -4.224 1.00 6.56 H new ATOM 35 N GLN A 3 -19.752 -1.662 -1.207 1.00 3.35 N ATOM 36 CA GLN A 3 -19.755 -2.885 -0.424 1.00 2.68 C ATOM 37 C GLN A 3 -18.662 -3.815 -0.937 1.00 1.97 C ATOM 38 O GLN A 3 -18.045 -3.538 -1.968 1.00 2.24 O ATOM 39 CB GLN A 3 -21.118 -3.574 -0.515 1.00 2.90 C ATOM 40 CG GLN A 3 -21.486 -4.007 -1.925 1.00 3.57 C ATOM 41 CD GLN A 3 -22.813 -4.736 -1.985 1.00 4.03 C ATOM 42 OE1 GLN A 3 -23.723 -4.466 -1.202 1.00 4.48 O ATOM 43 NE2 GLN A 3 -22.929 -5.666 -2.916 1.00 4.40 N ATOM 0 H GLN A 3 -19.576 -1.805 -2.202 1.00 3.35 H new ATOM 0 HA GLN A 3 -19.563 -2.641 0.621 1.00 2.68 H new ATOM 0 HB2 GLN A 3 -21.119 -4.448 0.137 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -21.885 -2.896 -0.140 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -21.528 -3.130 -2.571 1.00 3.57 H new ATOM 0 HG3 GLN A 3 -20.702 -4.655 -2.318 1.00 3.57 H new ATOM 0 HE21 GLN A 3 -22.149 -5.858 -3.545 1.00 4.40 H new ATOM 0 HE22 GLN A 3 -23.798 -6.192 -3.006 1.00 4.40 H new ATOM 52 N SER A 4 -18.426 -4.908 -0.232 1.00 1.43 N ATOM 53 CA SER A 4 -17.433 -5.876 -0.657 1.00 0.82 C ATOM 54 C SER A 4 -18.004 -6.787 -1.738 1.00 0.93 C ATOM 55 O SER A 4 -18.543 -7.854 -1.453 1.00 1.64 O ATOM 56 CB SER A 4 -16.936 -6.680 0.541 1.00 0.60 C ATOM 57 OG SER A 4 -17.937 -6.767 1.542 1.00 1.23 O ATOM 0 H SER A 4 -18.908 -5.146 0.635 1.00 1.43 H new ATOM 0 HA SER A 4 -16.582 -5.346 -1.085 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.650 -7.681 0.219 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.043 -6.211 0.954 1.00 0.60 H new ATOM 0 HG SER A 4 -17.598 -7.288 2.300 1.00 1.23 H new ATOM 63 N ALA A 5 -17.919 -6.328 -2.977 1.00 1.31 N ATOM 64 CA ALA A 5 -18.445 -7.074 -4.109 1.00 1.41 C ATOM 65 C ALA A 5 -17.397 -8.014 -4.684 1.00 1.33 C ATOM 66 O ALA A 5 -17.684 -9.166 -4.997 1.00 1.96 O ATOM 67 CB ALA A 5 -18.939 -6.110 -5.175 1.00 1.72 C ATOM 0 H ALA A 5 -17.488 -5.437 -3.225 1.00 1.31 H new ATOM 0 HA ALA A 5 -19.280 -7.683 -3.763 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -19.332 -6.674 -6.021 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -19.727 -5.481 -4.760 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -18.113 -5.483 -5.509 1.00 1.72 H new ATOM 73 N SER A 6 -16.175 -7.521 -4.814 1.00 1.05 N ATOM 74 CA SER A 6 -15.091 -8.305 -5.387 1.00 0.98 C ATOM 75 C SER A 6 -14.206 -8.886 -4.286 1.00 0.84 C ATOM 76 O SER A 6 -13.053 -9.249 -4.529 1.00 0.79 O ATOM 77 CB SER A 6 -14.254 -7.420 -6.315 1.00 1.17 C ATOM 78 OG SER A 6 -15.080 -6.623 -7.150 1.00 1.25 O ATOM 0 H SER A 6 -15.908 -6.578 -4.530 1.00 1.05 H new ATOM 0 HA SER A 6 -15.518 -9.130 -5.957 1.00 0.98 H new ATOM 0 HB2 SER A 6 -13.606 -6.777 -5.720 1.00 1.17 H new ATOM 0 HB3 SER A 6 -13.606 -8.045 -6.930 1.00 1.17 H new ATOM 0 HG SER A 6 -14.519 -6.067 -7.730 1.00 1.25 H new ATOM 84 N ASP A 7 -14.781 -9.009 -3.087 1.00 0.83 N ATOM 85 CA ASP A 7 -14.047 -9.427 -1.891 1.00 0.77 C ATOM 86 C ASP A 7 -13.352 -10.769 -2.090 1.00 0.72 C ATOM 87 O ASP A 7 -12.257 -10.992 -1.579 1.00 0.82 O ATOM 88 CB ASP A 7 -14.993 -9.521 -0.690 1.00 0.85 C ATOM 89 CG ASP A 7 -15.962 -10.682 -0.809 1.00 0.92 C ATOM 90 OD1 ASP A 7 -16.854 -10.625 -1.679 1.00 1.18 O ATOM 91 OD2 ASP A 7 -15.817 -11.670 -0.059 1.00 1.36 O ATOM 0 H ASP A 7 -15.769 -8.821 -2.918 1.00 0.83 H new ATOM 0 HA ASP A 7 -13.284 -8.672 -1.703 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -14.408 -9.632 0.223 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -15.554 -8.591 -0.598 1.00 0.85 H new ATOM 96 N SER A 8 -13.988 -11.662 -2.828 1.00 0.69 N ATOM 97 CA SER A 8 -13.430 -12.981 -3.044 1.00 0.75 C ATOM 98 C SER A 8 -12.615 -13.016 -4.331 1.00 0.78 C ATOM 99 O SER A 8 -11.517 -13.564 -4.363 1.00 1.03 O ATOM 100 CB SER A 8 -14.549 -14.020 -3.095 1.00 0.89 C ATOM 101 OG SER A 8 -15.428 -13.876 -1.988 1.00 1.49 O ATOM 0 H SER A 8 -14.885 -11.498 -3.284 1.00 0.69 H new ATOM 0 HA SER A 8 -12.766 -13.218 -2.213 1.00 0.75 H new ATOM 0 HB2 SER A 8 -15.108 -13.912 -4.024 1.00 0.89 H new ATOM 0 HB3 SER A 8 -14.120 -15.022 -3.095 1.00 0.89 H new ATOM 0 HG SER A 8 -16.137 -14.551 -2.043 1.00 1.49 H new ATOM 107 N ASN A 9 -13.147 -12.391 -5.376 1.00 0.73 N ATOM 108 CA ASN A 9 -12.558 -12.482 -6.709 1.00 0.82 C ATOM 109 C ASN A 9 -11.221 -11.749 -6.797 1.00 0.77 C ATOM 110 O ASN A 9 -10.191 -12.356 -7.086 1.00 0.86 O ATOM 111 CB ASN A 9 -13.522 -11.920 -7.762 1.00 0.94 C ATOM 112 CG ASN A 9 -14.836 -12.678 -7.824 1.00 1.48 C ATOM 113 OD1 ASN A 9 -14.902 -13.863 -7.500 1.00 2.27 O ATOM 114 ND2 ASN A 9 -15.889 -12.000 -8.253 1.00 2.04 N ATOM 0 H ASN A 9 -13.987 -11.814 -5.326 1.00 0.73 H new ATOM 0 HA ASN A 9 -12.376 -13.539 -6.906 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -13.723 -10.872 -7.541 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -13.043 -11.953 -8.740 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -16.797 -12.459 -8.324 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -15.792 -11.018 -8.512 1.00 2.04 H new ATOM 121 N LYS A 10 -11.231 -10.451 -6.517 1.00 0.72 N ATOM 122 CA LYS A 10 -10.063 -9.618 -6.767 1.00 0.75 C ATOM 123 C LYS A 10 -8.990 -9.867 -5.711 1.00 0.70 C ATOM 124 O LYS A 10 -7.796 -9.739 -5.984 1.00 0.76 O ATOM 125 CB LYS A 10 -10.474 -8.140 -6.806 1.00 0.83 C ATOM 126 CG LYS A 10 -9.556 -7.258 -7.644 1.00 0.99 C ATOM 127 CD LYS A 10 -8.338 -6.784 -6.867 1.00 1.03 C ATOM 128 CE LYS A 10 -7.380 -5.996 -7.750 1.00 1.11 C ATOM 129 NZ LYS A 10 -8.070 -4.911 -8.499 1.00 1.56 N ATOM 0 H LYS A 10 -12.029 -9.956 -6.120 1.00 0.72 H new ATOM 0 HA LYS A 10 -9.639 -9.881 -7.736 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -11.488 -8.067 -7.199 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -10.499 -7.754 -5.787 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -9.229 -7.812 -8.524 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -10.115 -6.393 -8.001 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -8.659 -6.162 -6.032 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -7.819 -7.644 -6.443 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -6.591 -5.565 -7.133 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -6.899 -6.673 -8.456 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -7.403 -4.133 -8.676 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -8.418 -5.282 -9.406 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -8.872 -4.558 -7.939 1.00 1.56 H new ATOM 143 N SER A 11 -9.423 -10.248 -4.514 1.00 0.65 N ATOM 144 CA SER A 11 -8.503 -10.520 -3.418 1.00 0.64 C ATOM 145 C SER A 11 -7.542 -11.655 -3.778 1.00 0.66 C ATOM 146 O SER A 11 -6.327 -11.506 -3.648 1.00 0.67 O ATOM 147 CB SER A 11 -9.284 -10.868 -2.148 1.00 0.67 C ATOM 148 OG SER A 11 -8.416 -11.087 -1.047 1.00 1.52 O ATOM 0 H SER A 11 -10.407 -10.375 -4.279 1.00 0.65 H new ATOM 0 HA SER A 11 -7.913 -9.622 -3.236 1.00 0.64 H new ATOM 0 HB2 SER A 11 -9.976 -10.059 -1.912 1.00 0.67 H new ATOM 0 HB3 SER A 11 -9.885 -11.761 -2.322 1.00 0.67 H new ATOM 0 HG SER A 11 -8.649 -11.933 -0.610 1.00 1.52 H new ATOM 154 N GLN A 12 -8.092 -12.772 -4.250 1.00 0.72 N ATOM 155 CA GLN A 12 -7.288 -13.949 -4.578 1.00 0.81 C ATOM 156 C GLN A 12 -6.244 -13.623 -5.635 1.00 0.79 C ATOM 157 O GLN A 12 -5.079 -13.994 -5.505 1.00 0.85 O ATOM 158 CB GLN A 12 -8.176 -15.085 -5.080 1.00 0.95 C ATOM 159 CG GLN A 12 -9.203 -15.554 -4.068 1.00 1.19 C ATOM 160 CD GLN A 12 -10.123 -16.621 -4.626 1.00 1.74 C ATOM 161 OE1 GLN A 12 -9.728 -17.430 -5.465 1.00 2.34 O ATOM 162 NE2 GLN A 12 -11.363 -16.621 -4.171 1.00 2.40 N ATOM 0 H GLN A 12 -9.092 -12.887 -4.414 1.00 0.72 H new ATOM 0 HA GLN A 12 -6.780 -14.263 -3.666 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -8.692 -14.758 -5.982 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -7.546 -15.929 -5.361 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -8.690 -15.945 -3.189 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -9.798 -14.702 -3.738 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -11.651 -15.933 -3.475 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -12.033 -17.309 -4.515 1.00 2.40 H new ATOM 171 N ASN A 13 -6.669 -12.916 -6.673 1.00 0.77 N ATOM 172 CA ASN A 13 -5.790 -12.581 -7.789 1.00 0.81 C ATOM 173 C ASN A 13 -4.596 -11.768 -7.316 1.00 0.73 C ATOM 174 O ASN A 13 -3.447 -12.139 -7.562 1.00 0.76 O ATOM 175 CB ASN A 13 -6.543 -11.798 -8.866 1.00 0.95 C ATOM 176 CG ASN A 13 -7.737 -12.552 -9.420 1.00 1.41 C ATOM 177 OD1 ASN A 13 -7.775 -13.784 -9.405 1.00 2.14 O ATOM 178 ND2 ASN A 13 -8.712 -11.816 -9.927 1.00 1.63 N ATOM 0 H ASN A 13 -7.621 -12.561 -6.767 1.00 0.77 H new ATOM 0 HA ASN A 13 -5.435 -13.519 -8.216 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -6.881 -10.849 -8.449 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -5.859 -11.562 -9.681 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -9.536 -12.266 -10.326 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -8.640 -10.799 -9.919 1.00 1.63 H new ATOM 185 N ALA A 14 -4.873 -10.676 -6.612 1.00 0.69 N ATOM 186 CA ALA A 14 -3.824 -9.772 -6.156 1.00 0.66 C ATOM 187 C ALA A 14 -2.870 -10.466 -5.190 1.00 0.59 C ATOM 188 O ALA A 14 -1.652 -10.322 -5.296 1.00 0.61 O ATOM 189 CB ALA A 14 -4.434 -8.542 -5.507 1.00 0.68 C ATOM 0 H ALA A 14 -5.816 -10.395 -6.345 1.00 0.69 H new ATOM 0 HA ALA A 14 -3.247 -9.463 -7.027 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -3.639 -7.876 -5.171 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -5.062 -8.022 -6.231 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -5.040 -8.844 -4.652 1.00 0.68 H new ATOM 195 N ILE A 15 -3.425 -11.233 -4.259 1.00 0.59 N ATOM 196 CA ILE A 15 -2.617 -11.936 -3.268 1.00 0.60 C ATOM 197 C ILE A 15 -1.764 -13.013 -3.935 1.00 0.59 C ATOM 198 O ILE A 15 -0.611 -13.225 -3.561 1.00 0.59 O ATOM 199 CB ILE A 15 -3.496 -12.561 -2.161 1.00 0.72 C ATOM 200 CG1 ILE A 15 -4.235 -11.458 -1.396 1.00 0.87 C ATOM 201 CG2 ILE A 15 -2.664 -13.408 -1.206 1.00 0.77 C ATOM 202 CD1 ILE A 15 -3.318 -10.433 -0.755 1.00 1.80 C ATOM 0 H ILE A 15 -4.430 -11.384 -4.169 1.00 0.59 H new ATOM 0 HA ILE A 15 -1.959 -11.203 -2.801 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.226 -13.217 -2.634 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -4.913 -10.947 -2.080 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -4.849 -11.916 -0.621 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -3.311 -13.834 -0.439 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -2.181 -14.213 -1.760 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -1.904 -12.785 -0.735 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -3.916 -9.686 -0.233 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -2.657 -10.930 -0.045 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -2.722 -9.946 -1.526 1.00 1.80 H new ATOM 214 N SER A 16 -2.329 -13.670 -4.939 1.00 0.64 N ATOM 215 CA SER A 16 -1.599 -14.667 -5.709 1.00 0.70 C ATOM 216 C SER A 16 -0.361 -14.036 -6.348 1.00 0.69 C ATOM 217 O SER A 16 0.729 -14.616 -6.334 1.00 0.79 O ATOM 218 CB SER A 16 -2.516 -15.262 -6.786 1.00 0.81 C ATOM 219 OG SER A 16 -1.878 -16.305 -7.503 1.00 1.28 O ATOM 0 H SER A 16 -3.294 -13.530 -5.240 1.00 0.64 H new ATOM 0 HA SER A 16 -1.273 -15.466 -5.044 1.00 0.70 H new ATOM 0 HB2 SER A 16 -3.424 -15.644 -6.320 1.00 0.81 H new ATOM 0 HB3 SER A 16 -2.820 -14.477 -7.479 1.00 0.81 H new ATOM 0 HG SER A 16 -2.492 -16.661 -8.179 1.00 1.28 H new ATOM 225 N GLU A 17 -0.531 -12.830 -6.878 1.00 0.68 N ATOM 226 CA GLU A 17 0.559 -12.118 -7.529 1.00 0.75 C ATOM 227 C GLU A 17 1.597 -11.658 -6.510 1.00 0.69 C ATOM 228 O GLU A 17 2.795 -11.879 -6.687 1.00 0.75 O ATOM 229 CB GLU A 17 0.020 -10.911 -8.299 1.00 0.88 C ATOM 230 CG GLU A 17 -1.015 -11.270 -9.351 1.00 1.30 C ATOM 231 CD GLU A 17 -1.479 -10.069 -10.144 1.00 1.49 C ATOM 232 OE1 GLU A 17 -0.787 -9.672 -11.103 1.00 1.70 O ATOM 233 OE2 GLU A 17 -2.551 -9.517 -9.810 1.00 2.07 O ATOM 0 H GLU A 17 -1.417 -12.325 -6.869 1.00 0.68 H new ATOM 0 HA GLU A 17 1.039 -12.804 -8.227 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -0.422 -10.208 -7.592 1.00 0.88 H new ATOM 0 HB3 GLU A 17 0.852 -10.398 -8.781 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -0.594 -12.010 -10.032 1.00 1.30 H new ATOM 0 HG3 GLU A 17 -1.874 -11.735 -8.867 1.00 1.30 H new ATOM 240 N VAL A 18 1.131 -11.032 -5.435 1.00 0.64 N ATOM 241 CA VAL A 18 2.027 -10.453 -4.441 1.00 0.69 C ATOM 242 C VAL A 18 2.825 -11.537 -3.707 1.00 0.67 C ATOM 243 O VAL A 18 3.970 -11.313 -3.315 1.00 0.76 O ATOM 244 CB VAL A 18 1.265 -9.564 -3.429 1.00 0.75 C ATOM 245 CG1 VAL A 18 0.467 -10.392 -2.432 1.00 1.59 C ATOM 246 CG2 VAL A 18 2.221 -8.625 -2.715 1.00 1.43 C ATOM 0 H VAL A 18 0.139 -10.913 -5.230 1.00 0.64 H new ATOM 0 HA VAL A 18 2.730 -9.818 -4.981 1.00 0.69 H new ATOM 0 HB VAL A 18 0.550 -8.966 -3.993 1.00 0.75 H new ATOM 0 HG11 VAL A 18 -0.052 -9.728 -1.741 1.00 1.59 H new ATOM 0 HG12 VAL A 18 -0.262 -11.001 -2.966 1.00 1.59 H new ATOM 0 HG13 VAL A 18 1.143 -11.040 -1.874 1.00 1.59 H new ATOM 0 HG21 VAL A 18 1.666 -8.009 -2.008 1.00 1.43 H new ATOM 0 HG22 VAL A 18 2.970 -9.207 -2.178 1.00 1.43 H new ATOM 0 HG23 VAL A 18 2.715 -7.984 -3.445 1.00 1.43 H new ATOM 256 N MET A 19 2.234 -12.722 -3.557 1.00 0.65 N ATOM 257 CA MET A 19 2.921 -13.847 -2.926 1.00 0.75 C ATOM 258 C MET A 19 4.185 -14.186 -3.709 1.00 0.74 C ATOM 259 O MET A 19 5.241 -14.457 -3.130 1.00 0.78 O ATOM 260 CB MET A 19 1.989 -15.066 -2.844 1.00 0.89 C ATOM 261 CG MET A 19 2.522 -16.222 -2.000 1.00 1.25 C ATOM 262 SD MET A 19 3.798 -17.197 -2.828 1.00 2.00 S ATOM 263 CE MET A 19 2.876 -17.876 -4.207 1.00 2.13 C ATOM 0 H MET A 19 1.283 -12.927 -3.863 1.00 0.65 H new ATOM 0 HA MET A 19 3.203 -13.567 -1.911 1.00 0.75 H new ATOM 0 HB2 MET A 19 1.031 -14.747 -2.434 1.00 0.89 H new ATOM 0 HB3 MET A 19 1.799 -15.429 -3.854 1.00 0.89 H new ATOM 0 HG2 MET A 19 2.927 -15.824 -1.070 1.00 1.25 H new ATOM 0 HG3 MET A 19 1.693 -16.877 -1.732 1.00 1.25 H new ATOM 0 HE1 MET A 19 3.347 -18.801 -4.539 1.00 2.13 H new ATOM 0 HE2 MET A 19 1.852 -18.082 -3.894 1.00 2.13 H new ATOM 0 HE3 MET A 19 2.867 -17.158 -5.027 1.00 2.13 H new ATOM 273 N SER A 20 4.075 -14.140 -5.029 1.00 0.75 N ATOM 274 CA SER A 20 5.211 -14.381 -5.899 1.00 0.82 C ATOM 275 C SER A 20 6.156 -13.182 -5.868 1.00 0.82 C ATOM 276 O SER A 20 7.366 -13.333 -6.019 1.00 0.90 O ATOM 277 CB SER A 20 4.736 -14.648 -7.331 1.00 0.91 C ATOM 278 OG SER A 20 5.828 -14.903 -8.203 1.00 1.63 O ATOM 0 H SER A 20 3.205 -13.937 -5.520 1.00 0.75 H new ATOM 0 HA SER A 20 5.747 -15.260 -5.543 1.00 0.82 H new ATOM 0 HB2 SER A 20 4.057 -15.501 -7.337 1.00 0.91 H new ATOM 0 HB3 SER A 20 4.172 -13.789 -7.694 1.00 0.91 H new ATOM 0 HG SER A 20 5.492 -15.071 -9.108 1.00 1.63 H new ATOM 284 N ALA A 21 5.594 -11.996 -5.650 1.00 0.78 N ATOM 285 CA ALA A 21 6.375 -10.767 -5.636 1.00 0.85 C ATOM 286 C ALA A 21 7.333 -10.721 -4.449 1.00 0.82 C ATOM 287 O ALA A 21 8.537 -10.532 -4.632 1.00 0.89 O ATOM 288 CB ALA A 21 5.455 -9.555 -5.621 1.00 0.93 C ATOM 0 H ALA A 21 4.597 -11.862 -5.480 1.00 0.78 H new ATOM 0 HA ALA A 21 6.975 -10.747 -6.546 1.00 0.85 H new ATOM 0 HB1 ALA A 21 6.053 -8.644 -5.611 1.00 0.93 H new ATOM 0 HB2 ALA A 21 4.825 -9.565 -6.511 1.00 0.93 H new ATOM 0 HB3 ALA A 21 4.826 -9.586 -4.731 1.00 0.93 H new ATOM 294 N THR A 22 6.803 -10.909 -3.241 1.00 0.78 N ATOM 295 CA THR A 22 7.617 -10.835 -2.032 1.00 0.83 C ATOM 296 C THR A 22 8.731 -11.882 -2.042 1.00 0.87 C ATOM 297 O THR A 22 9.852 -11.609 -1.614 1.00 0.94 O ATOM 298 CB THR A 22 6.767 -10.980 -0.742 1.00 0.89 C ATOM 299 OG1 THR A 22 7.608 -10.861 0.415 1.00 1.42 O ATOM 300 CG2 THR A 22 6.031 -12.313 -0.703 1.00 1.93 C ATOM 0 H THR A 22 5.817 -11.113 -3.075 1.00 0.78 H new ATOM 0 HA THR A 22 8.068 -9.843 -2.028 1.00 0.83 H new ATOM 0 HB THR A 22 6.024 -10.182 -0.742 1.00 0.89 H new ATOM 0 HG1 THR A 22 7.064 -10.952 1.225 1.00 1.42 H new ATOM 0 HG21 THR A 22 5.446 -12.379 0.215 1.00 1.93 H new ATOM 0 HG22 THR A 22 5.366 -12.387 -1.563 1.00 1.93 H new ATOM 0 HG23 THR A 22 6.754 -13.129 -0.732 1.00 1.93 H new ATOM 308 N SER A 23 8.433 -13.066 -2.558 1.00 0.89 N ATOM 309 CA SER A 23 9.419 -14.130 -2.620 1.00 0.99 C ATOM 310 C SER A 23 10.455 -13.842 -3.703 1.00 1.01 C ATOM 311 O SER A 23 11.643 -14.119 -3.530 1.00 1.11 O ATOM 312 CB SER A 23 8.724 -15.469 -2.858 1.00 1.07 C ATOM 313 OG SER A 23 7.720 -15.349 -3.851 1.00 1.55 O ATOM 0 H SER A 23 7.519 -13.311 -2.938 1.00 0.89 H new ATOM 0 HA SER A 23 9.946 -14.182 -1.667 1.00 0.99 H new ATOM 0 HB2 SER A 23 9.458 -16.214 -3.165 1.00 1.07 H new ATOM 0 HB3 SER A 23 8.280 -15.823 -1.928 1.00 1.07 H new ATOM 0 HG SER A 23 6.875 -15.082 -3.432 1.00 1.55 H new ATOM 319 N ALA A 24 10.005 -13.254 -4.806 1.00 0.96 N ATOM 320 CA ALA A 24 10.900 -12.901 -5.899 1.00 1.03 C ATOM 321 C ALA A 24 11.869 -11.805 -5.476 1.00 1.01 C ATOM 322 O ALA A 24 13.075 -11.925 -5.673 1.00 1.10 O ATOM 323 CB ALA A 24 10.108 -12.463 -7.122 1.00 1.05 C ATOM 0 H ALA A 24 9.027 -13.013 -4.966 1.00 0.96 H new ATOM 0 HA ALA A 24 11.478 -13.788 -6.159 1.00 1.03 H new ATOM 0 HB1 ALA A 24 10.796 -12.204 -7.927 1.00 1.05 H new ATOM 0 HB2 ALA A 24 9.460 -13.277 -7.446 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.500 -11.594 -6.870 1.00 1.05 H new ATOM 329 N ILE A 25 11.341 -10.748 -4.866 1.00 0.93 N ATOM 330 CA ILE A 25 12.170 -9.611 -4.482 1.00 0.93 C ATOM 331 C ILE A 25 13.109 -9.967 -3.331 1.00 0.97 C ATOM 332 O ILE A 25 14.240 -9.483 -3.275 1.00 1.02 O ATOM 333 CB ILE A 25 11.330 -8.362 -4.114 1.00 0.89 C ATOM 334 CG1 ILE A 25 12.257 -7.193 -3.775 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.383 -8.655 -2.959 1.00 1.11 C ATOM 336 CD1 ILE A 25 11.529 -5.905 -3.458 1.00 1.56 C ATOM 0 H ILE A 25 10.353 -10.655 -4.629 1.00 0.93 H new ATOM 0 HA ILE A 25 12.767 -9.362 -5.359 1.00 0.93 H new ATOM 0 HB ILE A 25 10.720 -8.090 -4.976 1.00 0.89 H new ATOM 0 HG12 ILE A 25 12.876 -7.469 -2.921 1.00 1.23 H new ATOM 0 HG13 ILE A 25 12.931 -7.021 -4.615 1.00 1.23 H new ATOM 0 HG21 ILE A 25 9.808 -7.760 -2.724 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.704 -9.459 -3.241 1.00 1.11 H new ATOM 0 HG23 ILE A 25 10.959 -8.956 -2.084 1.00 1.11 H new ATOM 0 HD11 ILE A 25 12.254 -5.124 -3.228 1.00 1.56 H new ATOM 0 HD12 ILE A 25 10.932 -5.603 -4.318 1.00 1.56 H new ATOM 0 HD13 ILE A 25 10.876 -6.058 -2.599 1.00 1.56 H new ATOM 348 N ASN A 26 12.660 -10.830 -2.424 1.00 0.98 N ATOM 349 CA ASN A 26 13.513 -11.258 -1.323 1.00 1.08 C ATOM 350 C ASN A 26 14.650 -12.107 -1.865 1.00 1.12 C ATOM 351 O ASN A 26 15.763 -12.071 -1.350 1.00 1.20 O ATOM 352 CB ASN A 26 12.721 -12.034 -0.267 1.00 1.15 C ATOM 353 CG ASN A 26 13.470 -12.136 1.054 1.00 1.48 C ATOM 354 OD1 ASN A 26 13.373 -11.248 1.899 1.00 1.96 O ATOM 355 ND2 ASN A 26 14.211 -13.218 1.246 1.00 2.02 N ATOM 0 H ASN A 26 11.726 -11.240 -2.429 1.00 0.98 H new ATOM 0 HA ASN A 26 13.920 -10.371 -0.837 1.00 1.08 H new ATOM 0 HB2 ASN A 26 11.762 -11.543 -0.102 1.00 1.15 H new ATOM 0 HB3 ASN A 26 12.507 -13.036 -0.639 1.00 1.15 H new ATOM 0 HD21 ASN A 26 14.726 -13.335 2.119 1.00 2.02 H new ATOM 0 HD22 ASN A 26 14.267 -13.933 0.521 1.00 2.02 H new ATOM 362 N GLY A 27 14.361 -12.842 -2.935 1.00 1.12 N ATOM 363 CA GLY A 27 15.384 -13.609 -3.616 1.00 1.20 C ATOM 364 C GLY A 27 16.403 -12.715 -4.297 1.00 1.23 C ATOM 365 O GLY A 27 17.546 -13.115 -4.519 1.00 1.36 O ATOM 0 H GLY A 27 13.429 -12.919 -3.343 1.00 1.12 H new ATOM 0 HA2 GLY A 27 15.890 -14.256 -2.899 1.00 1.20 H new ATOM 0 HA3 GLY A 27 14.918 -14.258 -4.357 1.00 1.20 H new ATOM 369 N LEU A 28 15.990 -11.495 -4.616 1.00 1.16 N ATOM 370 CA LEU A 28 16.873 -10.526 -5.249 1.00 1.22 C ATOM 371 C LEU A 28 17.760 -9.854 -4.203 1.00 1.28 C ATOM 372 O LEU A 28 18.818 -9.310 -4.521 1.00 1.42 O ATOM 373 CB LEU A 28 16.060 -9.459 -5.990 1.00 1.18 C ATOM 374 CG LEU A 28 15.027 -9.988 -6.989 1.00 1.39 C ATOM 375 CD1 LEU A 28 14.292 -8.835 -7.651 1.00 1.69 C ATOM 376 CD2 LEU A 28 15.689 -10.868 -8.036 1.00 1.81 C ATOM 0 H LEU A 28 15.044 -11.153 -4.445 1.00 1.16 H new ATOM 0 HA LEU A 28 17.500 -11.056 -5.966 1.00 1.22 H new ATOM 0 HB2 LEU A 28 15.544 -8.844 -5.253 1.00 1.18 H new ATOM 0 HB3 LEU A 28 16.752 -8.806 -6.522 1.00 1.18 H new ATOM 0 HG LEU A 28 14.304 -10.594 -6.444 1.00 1.39 H new ATOM 0 HD11 LEU A 28 13.561 -9.227 -8.358 1.00 1.69 H new ATOM 0 HD12 LEU A 28 13.780 -8.245 -6.890 1.00 1.69 H new ATOM 0 HD13 LEU A 28 15.006 -8.204 -8.180 1.00 1.69 H new ATOM 0 HD21 LEU A 28 14.936 -11.232 -8.734 1.00 1.81 H new ATOM 0 HD22 LEU A 28 16.437 -10.289 -8.578 1.00 1.81 H new ATOM 0 HD23 LEU A 28 16.170 -11.715 -7.548 1.00 1.81 H new ATOM 388 N TYR A 29 17.318 -9.890 -2.954 1.00 1.22 N ATOM 389 CA TYR A 29 18.040 -9.247 -1.864 1.00 1.31 C ATOM 390 C TYR A 29 18.348 -10.247 -0.757 1.00 1.58 C ATOM 391 O TYR A 29 18.292 -9.909 0.427 1.00 2.30 O ATOM 392 CB TYR A 29 17.226 -8.075 -1.295 1.00 1.13 C ATOM 393 CG TYR A 29 17.139 -6.872 -2.213 1.00 0.94 C ATOM 394 CD1 TYR A 29 16.390 -6.909 -3.382 1.00 0.91 C ATOM 395 CD2 TYR A 29 17.805 -5.696 -1.902 1.00 0.90 C ATOM 396 CE1 TYR A 29 16.314 -5.811 -4.217 1.00 0.87 C ATOM 397 CE2 TYR A 29 17.732 -4.593 -2.729 1.00 0.84 C ATOM 398 CZ TYR A 29 16.986 -4.656 -3.887 1.00 0.85 C ATOM 399 OH TYR A 29 16.913 -3.560 -4.720 1.00 0.96 O ATOM 0 H TYR A 29 16.459 -10.360 -2.669 1.00 1.22 H new ATOM 0 HA TYR A 29 18.980 -8.865 -2.262 1.00 1.31 H new ATOM 0 HB2 TYR A 29 16.217 -8.422 -1.074 1.00 1.13 H new ATOM 0 HB3 TYR A 29 17.670 -7.764 -0.349 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.858 -7.812 -3.643 1.00 0.91 H new ATOM 0 HD2 TYR A 29 18.391 -5.642 -0.997 1.00 0.90 H new ATOM 0 HE1 TYR A 29 15.730 -5.859 -5.124 1.00 0.87 H new ATOM 0 HE2 TYR A 29 18.257 -3.685 -2.470 1.00 0.84 H new ATOM 0 HH TYR A 29 16.012 -3.497 -5.100 1.00 0.96 H new ATOM 409 N ILE A 30 18.677 -11.476 -1.143 1.00 1.25 N ATOM 410 CA ILE A 30 19.016 -12.511 -0.174 1.00 1.45 C ATOM 411 C ILE A 30 20.277 -12.129 0.587 1.00 1.45 C ATOM 412 O ILE A 30 21.367 -12.052 0.019 1.00 1.99 O ATOM 413 CB ILE A 30 19.214 -13.894 -0.833 1.00 1.67 C ATOM 414 CG1 ILE A 30 17.918 -14.348 -1.506 1.00 1.88 C ATOM 415 CG2 ILE A 30 19.662 -14.921 0.203 1.00 1.89 C ATOM 416 CD1 ILE A 30 18.017 -15.700 -2.181 1.00 2.50 C ATOM 0 H ILE A 30 18.716 -11.778 -2.116 1.00 1.25 H new ATOM 0 HA ILE A 30 18.174 -12.587 0.513 1.00 1.45 H new ATOM 0 HB ILE A 30 19.992 -13.809 -1.592 1.00 1.67 H new ATOM 0 HG12 ILE A 30 17.125 -14.383 -0.759 1.00 1.88 H new ATOM 0 HG13 ILE A 30 17.625 -13.604 -2.247 1.00 1.88 H new ATOM 0 HG21 ILE A 30 19.797 -15.889 -0.279 1.00 1.89 H new ATOM 0 HG22 ILE A 30 20.605 -14.602 0.647 1.00 1.89 H new ATOM 0 HG23 ILE A 30 18.905 -15.006 0.982 1.00 1.89 H new ATOM 0 HD11 ILE A 30 17.058 -15.951 -2.635 1.00 2.50 H new ATOM 0 HD12 ILE A 30 18.786 -15.666 -2.953 1.00 2.50 H new ATOM 0 HD13 ILE A 30 18.278 -16.457 -1.442 1.00 2.50 H new ATOM 428 N GLY A 31 20.111 -11.875 1.871 1.00 1.43 N ATOM 429 CA GLY A 31 21.219 -11.459 2.698 1.00 1.69 C ATOM 430 C GLY A 31 20.968 -10.106 3.315 1.00 1.52 C ATOM 431 O GLY A 31 21.696 -9.677 4.210 1.00 1.93 O ATOM 0 H GLY A 31 19.219 -11.950 2.360 1.00 1.43 H new ATOM 0 HA2 GLY A 31 21.384 -12.195 3.485 1.00 1.69 H new ATOM 0 HA3 GLY A 31 22.129 -11.424 2.099 1.00 1.69 H new ATOM 435 N GLN A 32 19.928 -9.429 2.838 1.00 1.16 N ATOM 436 CA GLN A 32 19.569 -8.117 3.359 1.00 1.10 C ATOM 437 C GLN A 32 18.501 -8.247 4.429 1.00 1.14 C ATOM 438 O GLN A 32 18.413 -7.416 5.328 1.00 1.93 O ATOM 439 CB GLN A 32 19.042 -7.211 2.244 1.00 1.09 C ATOM 440 CG GLN A 32 19.904 -7.195 0.999 1.00 1.38 C ATOM 441 CD GLN A 32 21.309 -6.690 1.254 1.00 2.15 C ATOM 442 OE1 GLN A 32 22.212 -7.460 1.579 1.00 2.74 O ATOM 443 NE2 GLN A 32 21.503 -5.394 1.113 1.00 2.84 N ATOM 0 H GLN A 32 19.320 -9.768 2.092 1.00 1.16 H new ATOM 0 HA GLN A 32 20.469 -7.674 3.787 1.00 1.10 H new ATOM 0 HB2 GLN A 32 18.037 -7.534 1.973 1.00 1.09 H new ATOM 0 HB3 GLN A 32 18.957 -6.194 2.627 1.00 1.09 H new ATOM 0 HG2 GLN A 32 19.956 -8.203 0.588 1.00 1.38 H new ATOM 0 HG3 GLN A 32 19.430 -6.567 0.245 1.00 1.38 H new ATOM 0 HE21 GLN A 32 20.728 -4.789 0.842 1.00 2.84 H new ATOM 0 HE22 GLN A 32 22.428 -4.996 1.275 1.00 2.84 H new ATOM 452 N THR A 33 17.684 -9.292 4.304 1.00 1.15 N ATOM 453 CA THR A 33 16.570 -9.545 5.218 1.00 1.20 C ATOM 454 C THR A 33 15.412 -8.572 4.979 1.00 1.09 C ATOM 455 O THR A 33 14.273 -8.988 4.774 1.00 1.21 O ATOM 456 CB THR A 33 17.019 -9.479 6.694 1.00 1.54 C ATOM 457 OG1 THR A 33 18.068 -10.429 6.921 1.00 1.91 O ATOM 458 CG2 THR A 33 15.860 -9.765 7.640 1.00 1.83 C ATOM 0 H THR A 33 17.776 -9.989 3.565 1.00 1.15 H new ATOM 0 HA THR A 33 16.219 -10.556 5.010 1.00 1.20 H new ATOM 0 HB THR A 33 17.380 -8.470 6.893 1.00 1.54 H new ATOM 0 HG1 THR A 33 18.353 -10.384 7.858 1.00 1.91 H new ATOM 0 HG21 THR A 33 16.210 -9.711 8.671 1.00 1.83 H new ATOM 0 HG22 THR A 33 15.073 -9.027 7.485 1.00 1.83 H new ATOM 0 HG23 THR A 33 15.467 -10.762 7.442 1.00 1.83 H new ATOM 466 N SER A 34 15.706 -7.284 4.997 1.00 1.12 N ATOM 467 CA SER A 34 14.678 -6.269 4.848 1.00 1.35 C ATOM 468 C SER A 34 14.932 -5.364 3.647 1.00 1.13 C ATOM 469 O SER A 34 14.463 -4.230 3.624 1.00 1.18 O ATOM 470 CB SER A 34 14.616 -5.442 6.129 1.00 1.82 C ATOM 471 OG SER A 34 15.916 -5.229 6.651 1.00 2.42 O ATOM 0 H SER A 34 16.650 -6.916 5.114 1.00 1.12 H new ATOM 0 HA SER A 34 13.725 -6.768 4.671 1.00 1.35 H new ATOM 0 HB2 SER A 34 14.139 -4.483 5.926 1.00 1.82 H new ATOM 0 HB3 SER A 34 14.001 -5.954 6.869 1.00 1.82 H new ATOM 0 HG SER A 34 16.429 -4.667 6.033 1.00 2.42 H new ATOM 477 N TYR A 35 15.668 -5.870 2.645 1.00 0.96 N ATOM 478 CA TYR A 35 15.949 -5.097 1.425 1.00 0.78 C ATOM 479 C TYR A 35 16.740 -3.849 1.776 1.00 0.74 C ATOM 480 O TYR A 35 16.735 -2.859 1.036 1.00 0.68 O ATOM 481 CB TYR A 35 14.647 -4.727 0.699 1.00 0.90 C ATOM 482 CG TYR A 35 13.662 -5.871 0.594 1.00 0.97 C ATOM 483 CD1 TYR A 35 13.919 -6.958 -0.235 1.00 1.27 C ATOM 484 CD2 TYR A 35 12.473 -5.859 1.310 1.00 0.97 C ATOM 485 CE1 TYR A 35 13.017 -7.996 -0.348 1.00 1.37 C ATOM 486 CE2 TYR A 35 11.568 -6.899 1.203 1.00 1.12 C ATOM 487 CZ TYR A 35 11.856 -7.978 0.424 1.00 1.23 C ATOM 488 OH TYR A 35 10.945 -9.000 0.258 1.00 1.41 O ATOM 0 H TYR A 35 16.077 -6.804 2.655 1.00 0.96 H new ATOM 0 HA TYR A 35 16.543 -5.714 0.751 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.172 -3.898 1.223 1.00 0.90 H new ATOM 0 HB3 TYR A 35 14.888 -4.374 -0.304 1.00 0.90 H new ATOM 0 HD1 TYR A 35 14.839 -6.990 -0.799 1.00 1.27 H new ATOM 0 HD2 TYR A 35 12.251 -5.025 1.960 1.00 0.97 H new ATOM 0 HE1 TYR A 35 13.208 -8.814 -1.027 1.00 1.37 H new ATOM 0 HE2 TYR A 35 10.631 -6.855 1.738 1.00 1.12 H new ATOM 0 HH TYR A 35 10.184 -8.861 0.860 1.00 1.41 H new ATOM 498 N SER A 36 17.431 -3.920 2.909 1.00 0.89 N ATOM 499 CA SER A 36 18.293 -2.850 3.359 1.00 1.03 C ATOM 500 C SER A 36 19.287 -2.501 2.261 1.00 1.25 C ATOM 501 O SER A 36 19.756 -3.374 1.530 1.00 2.03 O ATOM 502 CB SER A 36 19.008 -3.272 4.641 1.00 1.37 C ATOM 503 OG SER A 36 18.073 -3.792 5.578 1.00 2.08 O ATOM 0 H SER A 36 17.404 -4.724 3.536 1.00 0.89 H new ATOM 0 HA SER A 36 17.700 -1.962 3.577 1.00 1.03 H new ATOM 0 HB2 SER A 36 19.763 -4.025 4.414 1.00 1.37 H new ATOM 0 HB3 SER A 36 19.530 -2.418 5.073 1.00 1.37 H new ATOM 0 HG SER A 36 18.543 -4.061 6.395 1.00 2.08 H new ATOM 509 N GLY A 37 19.584 -1.226 2.138 1.00 1.42 N ATOM 510 CA GLY A 37 20.320 -0.749 0.993 1.00 1.83 C ATOM 511 C GLY A 37 19.469 0.207 0.198 1.00 1.52 C ATOM 512 O GLY A 37 19.932 1.260 -0.229 1.00 1.88 O ATOM 0 H GLY A 37 19.328 -0.506 2.814 1.00 1.42 H new ATOM 0 HA2 GLY A 37 21.234 -0.252 1.319 1.00 1.83 H new ATOM 0 HA3 GLY A 37 20.620 -1.589 0.367 1.00 1.83 H new ATOM 516 N LEU A 38 18.204 -0.158 0.016 1.00 0.95 N ATOM 517 CA LEU A 38 17.237 0.754 -0.585 1.00 0.77 C ATOM 518 C LEU A 38 16.746 1.746 0.459 1.00 0.68 C ATOM 519 O LEU A 38 16.517 2.916 0.159 1.00 0.66 O ATOM 520 CB LEU A 38 16.036 -0.011 -1.151 1.00 0.68 C ATOM 521 CG LEU A 38 16.335 -1.036 -2.241 1.00 0.87 C ATOM 522 CD1 LEU A 38 15.053 -1.751 -2.643 1.00 1.11 C ATOM 523 CD2 LEU A 38 16.969 -0.368 -3.448 1.00 1.19 C ATOM 0 H LEU A 38 17.827 -1.070 0.273 1.00 0.95 H new ATOM 0 HA LEU A 38 17.733 1.282 -1.400 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.539 -0.524 -0.327 1.00 0.68 H new ATOM 0 HB3 LEU A 38 15.327 0.714 -1.550 1.00 0.68 H new ATOM 0 HG LEU A 38 17.042 -1.767 -1.848 1.00 0.87 H new ATOM 0 HD11 LEU A 38 15.273 -2.482 -3.422 1.00 1.11 H new ATOM 0 HD12 LEU A 38 14.633 -2.260 -1.776 1.00 1.11 H new ATOM 0 HD13 LEU A 38 14.334 -1.024 -3.020 1.00 1.11 H new ATOM 0 HD21 LEU A 38 17.174 -1.117 -4.213 1.00 1.19 H new ATOM 0 HD22 LEU A 38 16.287 0.382 -3.848 1.00 1.19 H new ATOM 0 HD23 LEU A 38 17.902 0.111 -3.151 1.00 1.19 H new ATOM 535 N ASP A 39 16.618 1.249 1.690 1.00 0.76 N ATOM 536 CA ASP A 39 16.044 1.998 2.815 1.00 0.85 C ATOM 537 C ASP A 39 16.562 3.428 2.902 1.00 0.82 C ATOM 538 O ASP A 39 15.857 4.380 2.564 1.00 0.90 O ATOM 539 CB ASP A 39 16.338 1.261 4.127 1.00 1.08 C ATOM 540 CG ASP A 39 16.121 2.131 5.353 1.00 1.59 C ATOM 541 OD1 ASP A 39 14.958 2.340 5.743 1.00 2.42 O ATOM 542 OD2 ASP A 39 17.127 2.621 5.921 1.00 1.84 O ATOM 0 H ASP A 39 16.912 0.305 1.939 1.00 0.76 H new ATOM 0 HA ASP A 39 14.969 2.059 2.644 1.00 0.85 H new ATOM 0 HB2 ASP A 39 15.699 0.380 4.195 1.00 1.08 H new ATOM 0 HB3 ASP A 39 17.369 0.907 4.116 1.00 1.08 H new ATOM 547 N SER A 40 17.801 3.567 3.333 1.00 0.82 N ATOM 548 CA SER A 40 18.371 4.873 3.579 1.00 0.94 C ATOM 549 C SER A 40 18.520 5.652 2.277 1.00 0.89 C ATOM 550 O SER A 40 18.294 6.859 2.243 1.00 1.00 O ATOM 551 CB SER A 40 19.715 4.706 4.280 1.00 1.13 C ATOM 552 OG SER A 40 19.593 3.804 5.371 1.00 1.71 O ATOM 0 H SER A 40 18.432 2.788 3.520 1.00 0.82 H new ATOM 0 HA SER A 40 17.704 5.445 4.223 1.00 0.94 H new ATOM 0 HB2 SER A 40 20.458 4.335 3.574 1.00 1.13 H new ATOM 0 HB3 SER A 40 20.070 5.673 4.637 1.00 1.13 H new ATOM 0 HG SER A 40 18.647 3.593 5.517 1.00 1.71 H new ATOM 558 N THR A 41 18.845 4.942 1.203 1.00 0.81 N ATOM 559 CA THR A 41 19.096 5.561 -0.090 1.00 0.85 C ATOM 560 C THR A 41 17.867 6.310 -0.604 1.00 0.79 C ATOM 561 O THR A 41 17.959 7.476 -0.984 1.00 0.95 O ATOM 562 CB THR A 41 19.531 4.503 -1.119 1.00 0.92 C ATOM 563 OG1 THR A 41 20.639 3.758 -0.598 1.00 1.25 O ATOM 564 CG2 THR A 41 19.923 5.146 -2.441 1.00 1.38 C ATOM 0 H THR A 41 18.941 3.927 1.205 1.00 0.81 H new ATOM 0 HA THR A 41 19.901 6.283 0.045 1.00 0.85 H new ATOM 0 HB THR A 41 18.688 3.837 -1.303 1.00 0.92 H new ATOM 0 HG1 THR A 41 20.457 2.799 -0.683 1.00 1.25 H new ATOM 0 HG21 THR A 41 20.225 4.372 -3.147 1.00 1.38 H new ATOM 0 HG22 THR A 41 19.072 5.694 -2.846 1.00 1.38 H new ATOM 0 HG23 THR A 41 20.753 5.834 -2.279 1.00 1.38 H new ATOM 572 N ILE A 42 16.715 5.651 -0.588 1.00 0.67 N ATOM 573 CA ILE A 42 15.487 6.250 -1.095 1.00 0.67 C ATOM 574 C ILE A 42 14.991 7.345 -0.153 1.00 0.64 C ATOM 575 O ILE A 42 14.440 8.357 -0.589 1.00 0.68 O ATOM 576 CB ILE A 42 14.387 5.181 -1.295 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.855 4.115 -2.293 1.00 0.82 C ATOM 578 CG2 ILE A 42 13.088 5.816 -1.769 1.00 0.78 C ATOM 579 CD1 ILE A 42 15.191 4.658 -3.669 1.00 0.87 C ATOM 0 H ILE A 42 16.606 4.702 -0.230 1.00 0.67 H new ATOM 0 HA ILE A 42 15.711 6.697 -2.064 1.00 0.67 H new ATOM 0 HB ILE A 42 14.199 4.704 -0.333 1.00 0.73 H new ATOM 0 HG12 ILE A 42 15.734 3.614 -1.887 1.00 0.82 H new ATOM 0 HG13 ILE A 42 14.076 3.359 -2.393 1.00 0.82 H new ATOM 0 HG21 ILE A 42 12.332 5.042 -1.902 1.00 0.78 H new ATOM 0 HG22 ILE A 42 12.743 6.537 -1.027 1.00 0.78 H new ATOM 0 HG23 ILE A 42 13.257 6.325 -2.718 1.00 0.78 H new ATOM 0 HD11 ILE A 42 15.513 3.841 -4.314 1.00 0.87 H new ATOM 0 HD12 ILE A 42 14.309 5.133 -4.098 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.993 5.391 -3.585 1.00 0.87 H new ATOM 591 N LEU A 43 15.216 7.143 1.137 1.00 0.64 N ATOM 592 CA LEU A 43 14.808 8.108 2.148 1.00 0.70 C ATOM 593 C LEU A 43 15.556 9.430 1.977 1.00 0.75 C ATOM 594 O LEU A 43 14.944 10.479 1.772 1.00 0.75 O ATOM 595 CB LEU A 43 15.065 7.534 3.540 1.00 0.85 C ATOM 596 CG LEU A 43 14.558 8.382 4.709 1.00 1.07 C ATOM 597 CD1 LEU A 43 13.039 8.374 4.755 1.00 1.20 C ATOM 598 CD2 LEU A 43 15.135 7.875 6.020 1.00 1.43 C ATOM 0 H LEU A 43 15.681 6.315 1.510 1.00 0.64 H new ATOM 0 HA LEU A 43 13.743 8.305 2.029 1.00 0.70 H new ATOM 0 HB2 LEU A 43 14.599 6.550 3.599 1.00 0.85 H new ATOM 0 HB3 LEU A 43 16.138 7.386 3.660 1.00 0.85 H new ATOM 0 HG LEU A 43 14.890 9.409 4.560 1.00 1.07 H new ATOM 0 HD11 LEU A 43 12.697 8.982 5.593 1.00 1.20 H new ATOM 0 HD12 LEU A 43 12.645 8.783 3.825 1.00 1.20 H new ATOM 0 HD13 LEU A 43 12.684 7.351 4.881 1.00 1.20 H new ATOM 0 HD21 LEU A 43 14.765 8.488 6.842 1.00 1.43 H new ATOM 0 HD22 LEU A 43 14.832 6.840 6.175 1.00 1.43 H new ATOM 0 HD23 LEU A 43 16.223 7.933 5.985 1.00 1.43 H new ATOM 610 N LEU A 44 16.885 9.373 2.028 1.00 0.85 N ATOM 611 CA LEU A 44 17.704 10.583 1.938 1.00 0.98 C ATOM 612 C LEU A 44 17.724 11.142 0.516 1.00 0.92 C ATOM 613 O LEU A 44 18.202 12.254 0.283 1.00 1.03 O ATOM 614 CB LEU A 44 19.138 10.312 2.439 1.00 1.19 C ATOM 615 CG LEU A 44 19.924 9.202 1.720 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.515 9.690 0.406 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.022 8.665 2.625 1.00 1.66 C ATOM 0 H LEU A 44 17.417 8.508 2.130 1.00 0.85 H new ATOM 0 HA LEU A 44 17.251 11.336 2.582 1.00 0.98 H new ATOM 0 HB2 LEU A 44 19.707 11.238 2.359 1.00 1.19 H new ATOM 0 HB3 LEU A 44 19.086 10.061 3.498 1.00 1.19 H new ATOM 0 HG LEU A 44 19.225 8.398 1.488 1.00 1.33 H new ATOM 0 HD11 LEU A 44 21.062 8.877 -0.071 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.713 10.023 -0.252 1.00 1.54 H new ATOM 0 HD13 LEU A 44 21.194 10.520 0.599 1.00 1.54 H new ATOM 0 HD21 LEU A 44 21.571 7.880 2.105 1.00 1.66 H new ATOM 0 HD22 LEU A 44 21.705 9.473 2.887 1.00 1.66 H new ATOM 0 HD23 LEU A 44 20.578 8.257 3.533 1.00 1.66 H new ATOM 629 N ASN A 45 17.208 10.362 -0.427 1.00 0.84 N ATOM 630 CA ASN A 45 17.185 10.749 -1.834 1.00 0.91 C ATOM 631 C ASN A 45 16.389 12.027 -2.042 1.00 0.88 C ATOM 632 O ASN A 45 16.836 12.949 -2.726 1.00 1.02 O ATOM 633 CB ASN A 45 16.552 9.646 -2.682 1.00 1.01 C ATOM 634 CG ASN A 45 16.549 9.982 -4.163 1.00 1.17 C ATOM 635 OD1 ASN A 45 17.607 9.606 -4.864 1.00 1.88 O flip ATOM 636 ND2 ASN A 45 15.598 10.577 -4.675 1.00 1.32 N flip ATOM 0 H ASN A 45 16.796 9.448 -0.240 1.00 0.84 H new ATOM 0 HA ASN A 45 18.218 10.913 -2.139 1.00 0.91 H new ATOM 0 HB2 ASN A 45 17.095 8.714 -2.525 1.00 1.01 H new ATOM 0 HB3 ASN A 45 15.528 9.478 -2.349 1.00 1.01 H new ATOM 0 HD21 ASN A 45 14.800 10.851 -4.102 1.00 1.32 H new ATOM 0 HD22 ASN A 45 15.610 10.795 -5.671 1.00 1.32 H new ATOM 643 N THR A 46 15.205 12.074 -1.458 1.00 0.79 N ATOM 644 CA THR A 46 14.291 13.171 -1.700 1.00 0.85 C ATOM 645 C THR A 46 14.034 13.976 -0.432 1.00 0.79 C ATOM 646 O THR A 46 13.220 13.587 0.404 1.00 0.68 O ATOM 647 CB THR A 46 12.954 12.643 -2.255 1.00 0.93 C ATOM 648 OG1 THR A 46 13.199 11.799 -3.388 1.00 1.15 O ATOM 649 CG2 THR A 46 12.035 13.785 -2.663 1.00 1.12 C ATOM 0 H THR A 46 14.856 11.365 -0.813 1.00 0.79 H new ATOM 0 HA THR A 46 14.757 13.828 -2.434 1.00 0.85 H new ATOM 0 HB THR A 46 12.463 12.073 -1.466 1.00 0.93 H new ATOM 0 HG1 THR A 46 12.347 11.464 -3.737 1.00 1.15 H new ATOM 0 HG21 THR A 46 11.100 13.379 -3.050 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.827 14.412 -1.796 1.00 1.12 H new ATOM 0 HG23 THR A 46 12.519 14.383 -3.435 1.00 1.12 H new ATOM 657 N SER A 47 14.764 15.084 -0.287 1.00 0.97 N ATOM 658 CA SER A 47 14.518 16.053 0.778 1.00 1.13 C ATOM 659 C SER A 47 14.664 15.426 2.171 1.00 1.06 C ATOM 660 O SER A 47 14.142 15.964 3.152 1.00 1.32 O ATOM 661 CB SER A 47 13.110 16.634 0.600 1.00 1.29 C ATOM 662 OG SER A 47 12.841 17.663 1.541 1.00 1.87 O ATOM 0 H SER A 47 15.538 15.332 -0.903 1.00 0.97 H new ATOM 0 HA SER A 47 15.265 16.844 0.707 1.00 1.13 H new ATOM 0 HB2 SER A 47 13.005 17.029 -0.410 1.00 1.29 H new ATOM 0 HB3 SER A 47 12.372 15.839 0.710 1.00 1.29 H new ATOM 0 HG SER A 47 13.233 17.425 2.407 1.00 1.87 H new ATOM 668 N ALA A 48 15.377 14.295 2.246 1.00 0.92 N ATOM 669 CA ALA A 48 15.541 13.523 3.490 1.00 0.97 C ATOM 670 C ALA A 48 14.232 12.839 3.899 1.00 0.88 C ATOM 671 O ALA A 48 14.241 11.721 4.416 1.00 1.00 O ATOM 672 CB ALA A 48 16.079 14.392 4.623 1.00 1.22 C ATOM 0 H ALA A 48 15.859 13.886 1.445 1.00 0.92 H new ATOM 0 HA ALA A 48 16.278 12.745 3.292 1.00 0.97 H new ATOM 0 HB1 ALA A 48 16.187 13.789 5.524 1.00 1.22 H new ATOM 0 HB2 ALA A 48 17.050 14.799 4.340 1.00 1.22 H new ATOM 0 HB3 ALA A 48 15.385 15.210 4.815 1.00 1.22 H new ATOM 678 N ILE A 49 13.119 13.521 3.679 1.00 0.78 N ATOM 679 CA ILE A 49 11.799 12.947 3.877 1.00 0.75 C ATOM 680 C ILE A 49 11.069 12.917 2.542 1.00 0.62 C ATOM 681 O ILE A 49 10.597 13.951 2.063 1.00 0.65 O ATOM 682 CB ILE A 49 10.960 13.746 4.900 1.00 0.86 C ATOM 683 CG1 ILE A 49 11.663 13.796 6.260 1.00 1.17 C ATOM 684 CG2 ILE A 49 9.568 13.142 5.044 1.00 0.95 C ATOM 685 CD1 ILE A 49 11.848 12.437 6.904 1.00 1.93 C ATOM 0 H ILE A 49 13.106 14.489 3.358 1.00 0.78 H new ATOM 0 HA ILE A 49 11.928 11.940 4.274 1.00 0.75 H new ATOM 0 HB ILE A 49 10.857 14.766 4.529 1.00 0.86 H new ATOM 0 HG12 ILE A 49 12.639 14.265 6.137 1.00 1.17 H new ATOM 0 HG13 ILE A 49 11.087 14.431 6.933 1.00 1.17 H new ATOM 0 HG21 ILE A 49 8.994 13.719 5.769 1.00 0.95 H new ATOM 0 HG22 ILE A 49 9.061 13.163 4.080 1.00 0.95 H new ATOM 0 HG23 ILE A 49 9.653 12.111 5.387 1.00 0.95 H new ATOM 0 HD11 ILE A 49 12.353 12.554 7.863 1.00 1.93 H new ATOM 0 HD12 ILE A 49 10.874 11.973 7.061 1.00 1.93 H new ATOM 0 HD13 ILE A 49 12.451 11.804 6.252 1.00 1.93 H new ATOM 697 N PRO A 50 11.008 11.738 1.912 1.00 0.57 N ATOM 698 CA PRO A 50 10.372 11.561 0.603 1.00 0.52 C ATOM 699 C PRO A 50 8.930 12.064 0.572 1.00 0.53 C ATOM 700 O PRO A 50 8.052 11.518 1.240 1.00 0.53 O ATOM 701 CB PRO A 50 10.420 10.044 0.394 1.00 0.54 C ATOM 702 CG PRO A 50 11.564 9.587 1.223 1.00 0.66 C ATOM 703 CD PRO A 50 11.572 10.480 2.426 1.00 0.68 C ATOM 0 HA PRO A 50 10.878 12.132 -0.175 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.489 9.571 0.708 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.567 9.793 -0.657 1.00 0.54 H new ATOM 0 HG2 PRO A 50 11.447 8.542 1.511 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.502 9.662 0.673 1.00 0.66 H new ATOM 0 HD2 PRO A 50 10.970 10.070 3.237 1.00 0.68 H new ATOM 0 HD3 PRO A 50 12.580 10.620 2.817 1.00 0.68 H new ATOM 711 N ASP A 51 8.691 13.107 -0.215 1.00 0.59 N ATOM 712 CA ASP A 51 7.357 13.698 -0.325 1.00 0.63 C ATOM 713 C ASP A 51 6.472 12.847 -1.229 1.00 0.52 C ATOM 714 O ASP A 51 5.258 13.040 -1.291 1.00 0.54 O ATOM 715 CB ASP A 51 7.436 15.128 -0.872 1.00 0.84 C ATOM 716 CG ASP A 51 7.584 15.176 -2.380 1.00 1.30 C ATOM 717 OD1 ASP A 51 8.673 14.841 -2.889 1.00 2.04 O ATOM 718 OD2 ASP A 51 6.603 15.545 -3.065 1.00 1.86 O ATOM 0 H ASP A 51 9.402 13.563 -0.787 1.00 0.59 H new ATOM 0 HA ASP A 51 6.920 13.731 0.673 1.00 0.63 H new ATOM 0 HB2 ASP A 51 6.537 15.672 -0.583 1.00 0.84 H new ATOM 0 HB3 ASP A 51 8.281 15.641 -0.413 1.00 0.84 H new ATOM 723 N ASN A 52 7.093 11.894 -1.916 1.00 0.47 N ATOM 724 CA ASN A 52 6.382 11.010 -2.838 1.00 0.49 C ATOM 725 C ASN A 52 5.398 10.122 -2.089 1.00 0.43 C ATOM 726 O ASN A 52 4.486 9.553 -2.688 1.00 0.56 O ATOM 727 CB ASN A 52 7.368 10.149 -3.635 1.00 0.59 C ATOM 728 CG ASN A 52 8.382 9.437 -2.758 1.00 1.32 C ATOM 729 OD1 ASN A 52 9.451 9.972 -2.479 1.00 2.22 O ATOM 730 ND2 ASN A 52 8.059 8.227 -2.318 1.00 1.84 N ATOM 0 H ASN A 52 8.095 11.712 -1.852 1.00 0.47 H new ATOM 0 HA ASN A 52 5.823 11.635 -3.535 1.00 0.49 H new ATOM 0 HB2 ASN A 52 6.812 9.409 -4.211 1.00 0.59 H new ATOM 0 HB3 ASN A 52 7.895 10.780 -4.351 1.00 0.59 H new ATOM 0 HD21 ASN A 52 8.709 7.709 -1.727 1.00 1.84 H new ATOM 0 HD22 ASN A 52 7.161 7.815 -2.571 1.00 1.84 H new ATOM 737 N TYR A 53 5.574 10.044 -0.773 1.00 0.39 N ATOM 738 CA TYR A 53 4.698 9.270 0.106 1.00 0.52 C ATOM 739 C TYR A 53 3.247 9.728 0.000 1.00 0.56 C ATOM 740 O TYR A 53 2.332 9.039 0.456 1.00 0.83 O ATOM 741 CB TYR A 53 5.181 9.395 1.552 1.00 0.66 C ATOM 742 CG TYR A 53 6.529 8.755 1.824 1.00 0.63 C ATOM 743 CD1 TYR A 53 7.033 7.760 1.000 1.00 0.67 C ATOM 744 CD2 TYR A 53 7.282 9.132 2.929 1.00 0.67 C ATOM 745 CE1 TYR A 53 8.242 7.152 1.267 1.00 0.73 C ATOM 746 CE2 TYR A 53 8.496 8.534 3.201 1.00 0.67 C ATOM 747 CZ TYR A 53 8.971 7.543 2.369 1.00 0.70 C ATOM 748 OH TYR A 53 10.170 6.935 2.647 1.00 0.79 O ATOM 0 H TYR A 53 6.332 10.518 -0.282 1.00 0.39 H new ATOM 0 HA TYR A 53 4.740 8.227 -0.209 1.00 0.52 H new ATOM 0 HB2 TYR A 53 5.236 10.452 1.813 1.00 0.66 H new ATOM 0 HB3 TYR A 53 4.439 8.942 2.210 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.468 7.455 0.132 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.912 9.905 3.586 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.615 6.375 0.617 1.00 0.73 H new ATOM 0 HE2 TYR A 53 9.071 8.841 4.062 1.00 0.67 H new ATOM 0 HH TYR A 53 10.311 6.190 2.026 1.00 0.79 H new ATOM 758 N LYS A 54 3.037 10.870 -0.622 1.00 0.46 N ATOM 759 CA LYS A 54 1.704 11.388 -0.838 1.00 0.49 C ATOM 760 C LYS A 54 1.623 12.083 -2.191 1.00 0.52 C ATOM 761 O LYS A 54 2.606 12.657 -2.662 1.00 0.72 O ATOM 762 CB LYS A 54 1.352 12.367 0.276 1.00 0.61 C ATOM 763 CG LYS A 54 2.385 13.468 0.450 1.00 0.85 C ATOM 764 CD LYS A 54 2.046 14.387 1.610 1.00 1.15 C ATOM 765 CE LYS A 54 3.120 15.449 1.802 1.00 1.15 C ATOM 766 NZ LYS A 54 2.788 16.378 2.913 1.00 1.75 N ATOM 0 H LYS A 54 3.782 11.462 -0.990 1.00 0.46 H new ATOM 0 HA LYS A 54 0.993 10.562 -0.829 1.00 0.49 H new ATOM 0 HB2 LYS A 54 0.382 12.817 0.063 1.00 0.61 H new ATOM 0 HB3 LYS A 54 1.251 11.820 1.214 1.00 0.61 H new ATOM 0 HG2 LYS A 54 3.366 13.022 0.615 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.451 14.052 -0.468 1.00 0.85 H new ATOM 0 HD2 LYS A 54 1.084 14.867 1.428 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.942 13.801 2.523 1.00 1.15 H new ATOM 0 HE2 LYS A 54 4.076 14.966 2.006 1.00 1.15 H new ATOM 0 HE3 LYS A 54 3.240 16.016 0.878 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 3.544 17.086 3.011 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 1.889 16.858 2.707 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 2.699 15.841 3.799 1.00 1.75 H new ATOM 780 N ASP A 55 0.473 11.997 -2.827 1.00 0.48 N ATOM 781 CA ASP A 55 0.220 12.730 -4.051 1.00 0.51 C ATOM 782 C ASP A 55 -0.803 13.836 -3.774 1.00 0.60 C ATOM 783 O ASP A 55 -1.398 13.875 -2.696 1.00 0.72 O ATOM 784 CB ASP A 55 -0.282 11.780 -5.146 1.00 0.49 C ATOM 785 CG ASP A 55 -1.786 11.667 -5.196 1.00 0.90 C ATOM 786 OD1 ASP A 55 -2.353 11.021 -4.290 1.00 1.29 O ATOM 787 OD2 ASP A 55 -2.400 12.241 -6.108 1.00 1.35 O ATOM 0 H ASP A 55 -0.308 11.421 -2.513 1.00 0.48 H new ATOM 0 HA ASP A 55 1.146 13.185 -4.403 1.00 0.51 H new ATOM 0 HB2 ASP A 55 0.081 12.127 -6.113 1.00 0.49 H new ATOM 0 HB3 ASP A 55 0.144 10.790 -4.982 1.00 0.49 H new ATOM 792 N THR A 56 -0.977 14.747 -4.717 1.00 0.67 N ATOM 793 CA THR A 56 -1.968 15.808 -4.578 1.00 0.78 C ATOM 794 C THR A 56 -2.882 15.868 -5.796 1.00 0.75 C ATOM 795 O THR A 56 -3.684 16.794 -5.952 1.00 0.78 O ATOM 796 CB THR A 56 -1.292 17.173 -4.369 1.00 0.98 C ATOM 797 OG1 THR A 56 -0.061 17.226 -5.103 1.00 1.50 O ATOM 798 CG2 THR A 56 -1.022 17.426 -2.896 1.00 1.52 C ATOM 0 H THR A 56 -0.447 14.776 -5.588 1.00 0.67 H new ATOM 0 HA THR A 56 -2.570 15.577 -3.699 1.00 0.78 H new ATOM 0 HB THR A 56 -1.967 17.947 -4.734 1.00 0.98 H new ATOM 0 HG1 THR A 56 0.364 18.099 -4.967 1.00 1.50 H new ATOM 0 HG21 THR A 56 -0.543 18.398 -2.775 1.00 1.52 H new ATOM 0 HG22 THR A 56 -1.963 17.414 -2.346 1.00 1.52 H new ATOM 0 HG23 THR A 56 -0.365 16.648 -2.508 1.00 1.52 H new ATOM 806 N THR A 57 -2.776 14.857 -6.641 1.00 0.76 N ATOM 807 CA THR A 57 -3.568 14.787 -7.849 1.00 0.79 C ATOM 808 C THR A 57 -4.886 14.079 -7.560 1.00 0.74 C ATOM 809 O THR A 57 -5.947 14.588 -7.910 1.00 1.04 O ATOM 810 CB THR A 57 -2.810 14.035 -8.960 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.499 14.590 -9.115 1.00 1.00 O ATOM 812 CG2 THR A 57 -3.556 14.115 -10.284 1.00 1.05 C ATOM 0 H THR A 57 -2.142 14.069 -6.508 1.00 0.76 H new ATOM 0 HA THR A 57 -3.764 15.803 -8.191 1.00 0.79 H new ATOM 0 HB THR A 57 -2.735 12.987 -8.670 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.021 14.107 -9.821 1.00 1.00 H new ATOM 0 HG21 THR A 57 -2.998 13.576 -11.049 1.00 1.05 H new ATOM 0 HG22 THR A 57 -4.544 13.668 -10.173 1.00 1.05 H new ATOM 0 HG23 THR A 57 -3.661 15.159 -10.580 1.00 1.05 H new ATOM 820 N ASN A 58 -4.767 12.921 -6.888 1.00 0.65 N ATOM 821 CA ASN A 58 -5.878 12.034 -6.485 1.00 0.70 C ATOM 822 C ASN A 58 -5.437 10.579 -6.584 1.00 0.59 C ATOM 823 O ASN A 58 -6.255 9.669 -6.445 1.00 0.66 O ATOM 824 CB ASN A 58 -7.142 12.174 -7.351 1.00 0.95 C ATOM 825 CG ASN A 58 -8.222 13.043 -6.723 1.00 1.91 C ATOM 826 OD1 ASN A 58 -7.822 14.062 -5.984 1.00 2.73 O flip ATOM 827 ND2 ASN A 58 -9.414 12.806 -6.923 1.00 2.46 N flip ATOM 0 H ASN A 58 -3.858 12.560 -6.598 1.00 0.65 H new ATOM 0 HA ASN A 58 -6.127 12.332 -5.466 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -6.865 12.596 -8.317 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -7.552 11.182 -7.542 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -9.686 12.010 -7.499 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -10.129 13.406 -6.512 1.00 2.46 H new ATOM 834 N LYS A 59 -4.149 10.349 -6.830 1.00 0.52 N ATOM 835 CA LYS A 59 -3.699 9.015 -7.194 1.00 0.51 C ATOM 836 C LYS A 59 -2.241 8.712 -6.816 1.00 0.45 C ATOM 837 O LYS A 59 -1.336 8.854 -7.629 1.00 0.48 O ATOM 838 CB LYS A 59 -3.911 8.810 -8.707 1.00 0.58 C ATOM 839 CG LYS A 59 -3.805 10.090 -9.549 1.00 0.83 C ATOM 840 CD LYS A 59 -2.379 10.617 -9.646 1.00 0.64 C ATOM 841 CE LYS A 59 -1.530 9.767 -10.577 1.00 1.53 C ATOM 842 NZ LYS A 59 -1.792 10.076 -12.007 1.00 2.11 N ATOM 0 H LYS A 59 -3.415 11.055 -6.785 1.00 0.52 H new ATOM 0 HA LYS A 59 -4.299 8.313 -6.614 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -3.176 8.091 -9.069 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -4.894 8.367 -8.866 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -4.183 9.892 -10.552 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -4.443 10.859 -9.114 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.395 11.646 -10.005 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -1.928 10.632 -8.654 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -0.475 9.932 -10.358 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -1.733 8.712 -10.391 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 -1.193 9.475 -12.608 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -2.793 9.894 -12.224 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 -1.574 11.076 -12.192 1.00 2.11 H new ATOM 856 N LYS A 60 -2.023 8.284 -5.583 1.00 0.41 N ATOM 857 CA LYS A 60 -0.787 7.595 -5.217 1.00 0.38 C ATOM 858 C LYS A 60 -1.095 6.519 -4.182 1.00 0.38 C ATOM 859 O LYS A 60 -1.627 6.810 -3.107 1.00 0.41 O ATOM 860 CB LYS A 60 0.253 8.583 -4.662 1.00 0.41 C ATOM 861 CG LYS A 60 1.697 8.069 -4.630 1.00 0.45 C ATOM 862 CD LYS A 60 1.920 6.989 -3.594 1.00 1.22 C ATOM 863 CE LYS A 60 1.733 7.532 -2.197 1.00 2.18 C ATOM 864 NZ LYS A 60 2.295 6.621 -1.179 1.00 3.14 N ATOM 0 H LYS A 60 -2.684 8.400 -4.815 1.00 0.41 H new ATOM 0 HA LYS A 60 -0.367 7.133 -6.110 1.00 0.38 H new ATOM 0 HB2 LYS A 60 0.222 9.492 -5.263 1.00 0.41 H new ATOM 0 HB3 LYS A 60 -0.039 8.860 -3.649 1.00 0.41 H new ATOM 0 HG2 LYS A 60 1.960 7.680 -5.614 1.00 0.45 H new ATOM 0 HG3 LYS A 60 2.369 8.903 -4.427 1.00 0.45 H new ATOM 0 HD2 LYS A 60 1.225 6.167 -3.765 1.00 1.22 H new ATOM 0 HD3 LYS A 60 2.926 6.582 -3.698 1.00 1.22 H new ATOM 0 HE2 LYS A 60 2.213 8.507 -2.118 1.00 2.18 H new ATOM 0 HE3 LYS A 60 0.671 7.683 -2.004 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 2.225 7.064 -0.240 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 1.763 5.727 -1.181 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 3.294 6.430 -1.398 1.00 3.14 H new ATOM 878 N ILE A 61 -0.750 5.279 -4.497 1.00 0.37 N ATOM 879 CA ILE A 61 -0.908 4.183 -3.554 1.00 0.38 C ATOM 880 C ILE A 61 0.392 3.401 -3.443 1.00 0.38 C ATOM 881 O ILE A 61 1.167 3.336 -4.397 1.00 0.45 O ATOM 882 CB ILE A 61 -2.069 3.227 -3.925 1.00 0.45 C ATOM 883 CG1 ILE A 61 -1.895 2.646 -5.330 1.00 0.49 C ATOM 884 CG2 ILE A 61 -3.403 3.938 -3.802 1.00 0.47 C ATOM 885 CD1 ILE A 61 -3.054 1.778 -5.779 1.00 0.55 C ATOM 0 H ILE A 61 -0.359 5.007 -5.399 1.00 0.37 H new ATOM 0 HA ILE A 61 -1.160 4.629 -2.592 1.00 0.38 H new ATOM 0 HB ILE A 61 -2.050 2.395 -3.221 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -1.770 3.464 -6.039 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -0.979 2.056 -5.359 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -4.207 3.251 -4.066 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.540 4.279 -2.776 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -3.422 4.795 -4.475 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -2.859 1.402 -6.783 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -3.167 0.939 -5.093 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -3.970 2.368 -5.784 1.00 0.55 H new ATOM 897 N THR A 62 0.657 2.862 -2.269 1.00 0.39 N ATOM 898 CA THR A 62 1.860 2.077 -2.056 1.00 0.45 C ATOM 899 C THR A 62 1.572 0.583 -2.181 1.00 0.50 C ATOM 900 O THR A 62 0.538 0.117 -1.722 1.00 0.62 O ATOM 901 CB THR A 62 2.453 2.393 -0.683 1.00 0.56 C ATOM 902 OG1 THR A 62 2.690 3.797 -0.601 1.00 0.84 O ATOM 903 CG2 THR A 62 3.743 1.641 -0.446 1.00 0.84 C ATOM 0 H THR A 62 0.058 2.952 -1.449 1.00 0.39 H new ATOM 0 HA THR A 62 2.584 2.343 -2.826 1.00 0.45 H new ATOM 0 HB THR A 62 1.745 2.079 0.084 1.00 0.56 H new ATOM 0 HG1 THR A 62 3.173 4.094 -1.400 1.00 0.84 H new ATOM 0 HG21 THR A 62 4.134 1.891 0.540 1.00 0.84 H new ATOM 0 HG22 THR A 62 3.554 0.569 -0.500 1.00 0.84 H new ATOM 0 HG23 THR A 62 4.472 1.920 -1.207 1.00 0.84 H new ATOM 911 N ASN A 63 2.497 -0.136 -2.823 1.00 0.52 N ATOM 912 CA ASN A 63 2.358 -1.576 -3.109 1.00 0.61 C ATOM 913 C ASN A 63 1.276 -1.880 -4.159 1.00 0.76 C ATOM 914 O ASN A 63 0.523 -2.837 -4.009 1.00 1.31 O ATOM 915 CB ASN A 63 2.067 -2.372 -1.831 1.00 1.03 C ATOM 916 CG ASN A 63 3.317 -2.667 -1.017 1.00 1.80 C ATOM 917 OD1 ASN A 63 3.263 -2.798 0.201 1.00 2.50 O ATOM 918 ND2 ASN A 63 4.456 -2.788 -1.684 1.00 2.26 N ATOM 0 H ASN A 63 3.372 0.263 -3.163 1.00 0.52 H new ATOM 0 HA ASN A 63 3.317 -1.888 -3.523 1.00 0.61 H new ATOM 0 HB2 ASN A 63 1.362 -1.814 -1.215 1.00 1.03 H new ATOM 0 HB3 ASN A 63 1.583 -3.312 -2.097 1.00 1.03 H new ATOM 0 HD21 ASN A 63 5.320 -2.996 -1.184 1.00 2.26 H new ATOM 0 HD22 ASN A 63 4.468 -2.673 -2.697 1.00 2.26 H new ATOM 925 N PRO A 64 1.182 -1.094 -5.254 1.00 0.64 N ATOM 926 CA PRO A 64 0.258 -1.378 -6.345 1.00 0.97 C ATOM 927 C PRO A 64 0.830 -2.388 -7.339 1.00 1.15 C ATOM 928 O PRO A 64 1.800 -3.085 -7.046 1.00 1.75 O ATOM 929 CB PRO A 64 0.058 -0.019 -7.027 1.00 0.91 C ATOM 930 CG PRO A 64 0.920 0.944 -6.283 1.00 0.85 C ATOM 931 CD PRO A 64 1.917 0.137 -5.512 1.00 0.60 C ATOM 0 HA PRO A 64 -0.668 -1.821 -5.979 1.00 0.97 H new ATOM 0 HB2 PRO A 64 0.341 -0.065 -8.079 1.00 0.91 H new ATOM 0 HB3 PRO A 64 -0.988 0.285 -6.992 1.00 0.91 H new ATOM 0 HG2 PRO A 64 1.423 1.622 -6.972 1.00 0.85 H new ATOM 0 HG3 PRO A 64 0.320 1.559 -5.612 1.00 0.85 H new ATOM 0 HD2 PRO A 64 2.826 -0.044 -6.086 1.00 0.60 H new ATOM 0 HD3 PRO A 64 2.217 0.634 -4.589 1.00 0.60 H new ATOM 939 N PHE A 65 0.242 -2.434 -8.529 1.00 1.16 N ATOM 940 CA PHE A 65 0.556 -3.480 -9.494 1.00 1.47 C ATOM 941 C PHE A 65 1.753 -3.154 -10.393 1.00 1.30 C ATOM 942 O PHE A 65 2.636 -3.995 -10.554 1.00 1.80 O ATOM 943 CB PHE A 65 -0.677 -3.803 -10.338 1.00 2.09 C ATOM 944 CG PHE A 65 -1.799 -4.397 -9.535 1.00 2.12 C ATOM 945 CD1 PHE A 65 -1.740 -5.714 -9.111 1.00 2.10 C ATOM 946 CD2 PHE A 65 -2.907 -3.638 -9.197 1.00 2.65 C ATOM 947 CE1 PHE A 65 -2.762 -6.263 -8.362 1.00 2.47 C ATOM 948 CE2 PHE A 65 -3.935 -4.182 -8.449 1.00 3.23 C ATOM 949 CZ PHE A 65 -3.862 -5.497 -8.032 1.00 3.09 C ATOM 0 H PHE A 65 -0.454 -1.760 -8.848 1.00 1.16 H new ATOM 0 HA PHE A 65 0.849 -4.355 -8.914 1.00 1.47 H new ATOM 0 HB2 PHE A 65 -1.027 -2.892 -10.823 1.00 2.09 H new ATOM 0 HB3 PHE A 65 -0.397 -4.498 -11.130 1.00 2.09 H new ATOM 0 HD1 PHE A 65 -0.884 -6.319 -9.369 1.00 2.10 H new ATOM 0 HD2 PHE A 65 -2.969 -2.610 -9.521 1.00 2.65 H new ATOM 0 HE1 PHE A 65 -2.701 -7.290 -8.035 1.00 2.47 H new ATOM 0 HE2 PHE A 65 -4.794 -3.580 -8.191 1.00 3.23 H new ATOM 0 HZ PHE A 65 -4.664 -5.925 -7.449 1.00 3.09 H new ATOM 959 N GLY A 66 1.816 -1.957 -10.982 1.00 0.85 N ATOM 960 CA GLY A 66 2.888 -1.709 -11.927 1.00 0.86 C ATOM 961 C GLY A 66 2.613 -0.560 -12.868 1.00 0.86 C ATOM 962 O GLY A 66 2.016 -0.733 -13.927 1.00 1.21 O ATOM 0 H GLY A 66 1.169 -1.184 -10.828 1.00 0.85 H new ATOM 0 HA2 GLY A 66 3.806 -1.504 -11.376 1.00 0.86 H new ATOM 0 HA3 GLY A 66 3.062 -2.612 -12.512 1.00 0.86 H new ATOM 966 N GLY A 67 3.008 0.620 -12.445 1.00 0.70 N ATOM 967 CA GLY A 67 3.001 1.779 -13.311 1.00 0.70 C ATOM 968 C GLY A 67 4.189 2.662 -13.027 1.00 0.65 C ATOM 969 O GLY A 67 5.333 2.230 -13.163 1.00 0.67 O ATOM 0 H GLY A 67 3.341 0.803 -11.498 1.00 0.70 H new ATOM 0 HA2 GLY A 67 3.019 1.461 -14.353 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.079 2.343 -13.166 1.00 0.70 H new ATOM 973 N GLU A 68 3.926 3.883 -12.605 1.00 0.63 N ATOM 974 CA GLU A 68 4.994 4.769 -12.185 1.00 0.64 C ATOM 975 C GLU A 68 5.272 4.523 -10.712 1.00 0.58 C ATOM 976 O GLU A 68 4.555 5.016 -9.849 1.00 0.59 O ATOM 977 CB GLU A 68 4.579 6.221 -12.417 1.00 0.73 C ATOM 978 CG GLU A 68 5.679 7.233 -12.166 1.00 1.36 C ATOM 979 CD GLU A 68 5.245 8.640 -12.508 1.00 1.84 C ATOM 980 OE1 GLU A 68 4.963 8.899 -13.695 1.00 1.99 O ATOM 981 OE2 GLU A 68 5.168 9.490 -11.596 1.00 2.78 O ATOM 0 H GLU A 68 2.989 4.282 -12.544 1.00 0.63 H new ATOM 0 HA GLU A 68 5.897 4.575 -12.763 1.00 0.64 H new ATOM 0 HB2 GLU A 68 4.231 6.327 -13.445 1.00 0.73 H new ATOM 0 HB3 GLU A 68 3.734 6.453 -11.769 1.00 0.73 H new ATOM 0 HG2 GLU A 68 5.978 7.191 -11.119 1.00 1.36 H new ATOM 0 HG3 GLU A 68 6.555 6.970 -12.759 1.00 1.36 H new ATOM 988 N LEU A 69 6.314 3.755 -10.430 1.00 0.57 N ATOM 989 CA LEU A 69 6.557 3.295 -9.070 1.00 0.57 C ATOM 990 C LEU A 69 7.969 3.602 -8.581 1.00 0.55 C ATOM 991 O LEU A 69 8.936 3.570 -9.342 1.00 0.60 O ATOM 992 CB LEU A 69 6.259 1.790 -8.959 1.00 0.69 C ATOM 993 CG LEU A 69 7.003 0.878 -9.943 1.00 0.83 C ATOM 994 CD1 LEU A 69 8.364 0.466 -9.398 1.00 1.15 C ATOM 995 CD2 LEU A 69 6.166 -0.348 -10.268 1.00 1.17 C ATOM 0 H LEU A 69 6.999 3.439 -11.117 1.00 0.57 H new ATOM 0 HA LEU A 69 5.879 3.849 -8.420 1.00 0.57 H new ATOM 0 HB2 LEU A 69 6.497 1.467 -7.946 1.00 0.69 H new ATOM 0 HB3 LEU A 69 5.188 1.642 -9.097 1.00 0.69 H new ATOM 0 HG LEU A 69 7.169 1.442 -10.861 1.00 0.83 H new ATOM 0 HD11 LEU A 69 8.865 -0.180 -10.120 1.00 1.15 H new ATOM 0 HD12 LEU A 69 8.971 1.355 -9.224 1.00 1.15 H new ATOM 0 HD13 LEU A 69 8.232 -0.073 -8.460 1.00 1.15 H new ATOM 0 HD21 LEU A 69 6.709 -0.984 -10.967 1.00 1.17 H new ATOM 0 HD22 LEU A 69 5.965 -0.904 -9.352 1.00 1.17 H new ATOM 0 HD23 LEU A 69 5.223 -0.036 -10.718 1.00 1.17 H new ATOM 1007 N ASN A 70 8.048 3.931 -7.303 1.00 0.52 N ATOM 1008 CA ASN A 70 9.313 4.100 -6.598 1.00 0.53 C ATOM 1009 C ASN A 70 9.538 2.900 -5.682 1.00 0.49 C ATOM 1010 O ASN A 70 8.643 2.524 -4.921 1.00 0.51 O ATOM 1011 CB ASN A 70 9.283 5.391 -5.771 1.00 0.59 C ATOM 1012 CG ASN A 70 10.522 5.580 -4.913 1.00 0.65 C ATOM 1013 OD1 ASN A 70 11.620 5.165 -5.280 1.00 0.92 O ATOM 1014 ND2 ASN A 70 10.348 6.205 -3.756 1.00 0.73 N ATOM 0 H ASN A 70 7.229 4.091 -6.717 1.00 0.52 H new ATOM 0 HA ASN A 70 10.127 4.166 -7.320 1.00 0.53 H new ATOM 0 HB2 ASN A 70 9.181 6.243 -6.443 1.00 0.59 H new ATOM 0 HB3 ASN A 70 8.402 5.384 -5.129 1.00 0.59 H new ATOM 0 HD21 ASN A 70 11.142 6.357 -3.134 1.00 0.73 H new ATOM 0 HD22 ASN A 70 9.420 6.534 -3.489 1.00 0.73 H new ATOM 1021 N VAL A 71 10.715 2.293 -5.764 1.00 0.51 N ATOM 1022 CA VAL A 71 11.005 1.098 -4.980 1.00 0.52 C ATOM 1023 C VAL A 71 11.610 1.453 -3.625 1.00 0.49 C ATOM 1024 O VAL A 71 12.471 2.328 -3.526 1.00 0.58 O ATOM 1025 CB VAL A 71 11.948 0.132 -5.736 1.00 0.68 C ATOM 1026 CG1 VAL A 71 11.270 -0.405 -6.986 1.00 0.97 C ATOM 1027 CG2 VAL A 71 13.261 0.817 -6.097 1.00 1.02 C ATOM 0 H VAL A 71 11.480 2.605 -6.361 1.00 0.51 H new ATOM 0 HA VAL A 71 10.053 0.593 -4.817 1.00 0.52 H new ATOM 0 HB VAL A 71 12.173 -0.704 -5.074 1.00 0.68 H new ATOM 0 HG11 VAL A 71 11.948 -1.083 -7.505 1.00 0.97 H new ATOM 0 HG12 VAL A 71 10.364 -0.942 -6.706 1.00 0.97 H new ATOM 0 HG13 VAL A 71 11.011 0.424 -7.644 1.00 0.97 H new ATOM 0 HG21 VAL A 71 13.904 0.115 -6.627 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.059 1.677 -6.735 1.00 1.02 H new ATOM 0 HG23 VAL A 71 13.760 1.150 -5.187 1.00 1.02 H new ATOM 1037 N GLY A 72 11.140 0.784 -2.582 1.00 0.44 N ATOM 1038 CA GLY A 72 11.668 1.008 -1.255 1.00 0.46 C ATOM 1039 C GLY A 72 11.330 -0.132 -0.312 1.00 0.44 C ATOM 1040 O GLY A 72 10.363 -0.849 -0.537 1.00 0.48 O ATOM 0 H GLY A 72 10.398 0.086 -2.634 1.00 0.44 H new ATOM 0 HA2 GLY A 72 12.750 1.125 -1.310 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.266 1.940 -0.857 1.00 0.46 H new ATOM 1044 N PRO A 73 12.136 -0.355 0.726 1.00 0.53 N ATOM 1045 CA PRO A 73 11.892 -1.367 1.735 1.00 0.54 C ATOM 1046 C PRO A 73 11.432 -0.780 3.068 1.00 0.49 C ATOM 1047 O PRO A 73 11.236 0.426 3.198 1.00 0.59 O ATOM 1048 CB PRO A 73 13.288 -1.944 1.888 1.00 0.72 C ATOM 1049 CG PRO A 73 14.205 -0.772 1.693 1.00 1.00 C ATOM 1050 CD PRO A 73 13.407 0.310 0.991 1.00 0.76 C ATOM 0 HA PRO A 73 11.106 -2.069 1.458 1.00 0.54 H new ATOM 0 HB2 PRO A 73 13.425 -2.395 2.871 1.00 0.72 H new ATOM 0 HB3 PRO A 73 13.478 -2.723 1.150 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.580 -0.413 2.652 1.00 1.00 H new ATOM 0 HG3 PRO A 73 15.073 -1.057 1.098 1.00 1.00 H new ATOM 0 HD2 PRO A 73 13.280 1.192 1.619 1.00 0.76 H new ATOM 0 HD3 PRO A 73 13.892 0.640 0.072 1.00 0.76 H new ATOM 1058 N ALA A 74 11.261 -1.642 4.053 1.00 0.51 N ATOM 1059 CA ALA A 74 11.019 -1.196 5.415 1.00 0.61 C ATOM 1060 C ALA A 74 12.269 -1.413 6.263 1.00 0.84 C ATOM 1061 O ALA A 74 13.260 -1.961 5.784 1.00 1.58 O ATOM 1062 CB ALA A 74 9.832 -1.928 6.015 1.00 0.86 C ATOM 0 H ALA A 74 11.285 -2.655 3.937 1.00 0.51 H new ATOM 0 HA ALA A 74 10.786 -0.131 5.399 1.00 0.61 H new ATOM 0 HB1 ALA A 74 9.667 -1.580 7.035 1.00 0.86 H new ATOM 0 HB2 ALA A 74 8.943 -1.731 5.416 1.00 0.86 H new ATOM 0 HB3 ALA A 74 10.033 -2.999 6.025 1.00 0.86 H new ATOM 1068 N ASN A 75 12.215 -0.985 7.523 1.00 0.62 N ATOM 1069 CA ASN A 75 13.356 -1.127 8.431 1.00 0.74 C ATOM 1070 C ASN A 75 13.712 -2.599 8.640 1.00 0.76 C ATOM 1071 O ASN A 75 14.889 -2.969 8.617 1.00 0.85 O ATOM 1072 CB ASN A 75 13.064 -0.447 9.776 1.00 0.99 C ATOM 1073 CG ASN A 75 14.183 -0.642 10.786 1.00 1.38 C ATOM 1074 OD1 ASN A 75 15.159 0.110 10.811 1.00 2.09 O ATOM 1075 ND2 ASN A 75 14.031 -1.639 11.644 1.00 1.58 N ATOM 0 H ASN A 75 11.398 -0.539 7.939 1.00 0.62 H new ATOM 0 HA ASN A 75 14.214 -0.634 7.973 1.00 0.74 H new ATOM 0 HB2 ASN A 75 12.909 0.620 9.613 1.00 0.99 H new ATOM 0 HB3 ASN A 75 12.136 -0.845 10.186 1.00 0.99 H new ATOM 0 HD21 ASN A 75 14.737 -1.808 12.360 1.00 1.58 H new ATOM 0 HD22 ASN A 75 13.208 -2.238 11.589 1.00 1.58 H new ATOM 1082 N ASN A 76 12.701 -3.435 8.851 1.00 0.75 N ATOM 1083 CA ASN A 76 12.919 -4.872 8.963 1.00 0.82 C ATOM 1084 C ASN A 76 11.669 -5.625 8.533 1.00 0.77 C ATOM 1085 O ASN A 76 10.550 -5.173 8.789 1.00 0.81 O ATOM 1086 CB ASN A 76 13.311 -5.272 10.388 1.00 1.02 C ATOM 1087 CG ASN A 76 13.848 -6.690 10.442 1.00 1.32 C ATOM 1088 OD1 ASN A 76 13.098 -7.650 10.613 1.00 2.08 O ATOM 1089 ND2 ASN A 76 15.153 -6.831 10.286 1.00 1.38 N ATOM 0 H ASN A 76 11.728 -3.144 8.947 1.00 0.75 H new ATOM 0 HA ASN A 76 13.745 -5.137 8.303 1.00 0.82 H new ATOM 0 HB2 ASN A 76 14.065 -4.582 10.766 1.00 1.02 H new ATOM 0 HB3 ASN A 76 12.444 -5.186 11.042 1.00 1.02 H new ATOM 0 HD21 ASN A 76 15.571 -7.761 10.305 1.00 1.38 H new ATOM 0 HD22 ASN A 76 15.742 -6.010 10.146 1.00 1.38 H new ATOM 1096 N ASN A 77 11.875 -6.783 7.904 1.00 0.80 N ATOM 1097 CA ASN A 77 10.796 -7.557 7.283 1.00 0.86 C ATOM 1098 C ASN A 77 9.730 -7.975 8.295 1.00 0.95 C ATOM 1099 O ASN A 77 8.554 -8.099 7.946 1.00 1.05 O ATOM 1100 CB ASN A 77 11.369 -8.802 6.590 1.00 0.95 C ATOM 1101 CG ASN A 77 10.310 -9.601 5.844 1.00 1.40 C ATOM 1102 OD1 ASN A 77 9.672 -10.488 6.409 1.00 2.28 O ATOM 1103 ND2 ASN A 77 10.127 -9.305 4.565 1.00 1.72 N ATOM 0 H ASN A 77 12.795 -7.212 7.810 1.00 0.80 H new ATOM 0 HA ASN A 77 10.318 -6.911 6.546 1.00 0.86 H new ATOM 0 HB2 ASN A 77 12.147 -8.497 5.891 1.00 0.95 H new ATOM 0 HB3 ASN A 77 11.842 -9.441 7.335 1.00 0.95 H new ATOM 0 HD21 ASN A 77 9.438 -9.820 4.016 1.00 1.72 H new ATOM 0 HD22 ASN A 77 10.675 -8.563 4.130 1.00 1.72 H new ATOM 1110 N THR A 78 10.134 -8.188 9.544 1.00 1.02 N ATOM 1111 CA THR A 78 9.205 -8.631 10.577 1.00 1.22 C ATOM 1112 C THR A 78 8.094 -7.611 10.798 1.00 1.16 C ATOM 1113 O THR A 78 6.946 -7.972 11.065 1.00 1.41 O ATOM 1114 CB THR A 78 9.932 -8.897 11.905 1.00 1.44 C ATOM 1115 OG1 THR A 78 10.784 -7.792 12.233 1.00 1.95 O ATOM 1116 CG2 THR A 78 10.753 -10.174 11.816 1.00 1.88 C ATOM 0 H THR A 78 11.094 -8.062 9.864 1.00 1.02 H new ATOM 0 HA THR A 78 8.761 -9.563 10.227 1.00 1.22 H new ATOM 0 HB THR A 78 9.184 -9.015 12.689 1.00 1.44 H new ATOM 0 HG1 THR A 78 11.604 -7.841 11.698 1.00 1.95 H new ATOM 0 HG21 THR A 78 11.261 -10.347 12.765 1.00 1.88 H new ATOM 0 HG22 THR A 78 10.095 -11.015 11.598 1.00 1.88 H new ATOM 0 HG23 THR A 78 11.492 -10.076 11.021 1.00 1.88 H new ATOM 1124 N ALA A 79 8.438 -6.338 10.672 1.00 0.91 N ATOM 1125 CA ALA A 79 7.454 -5.277 10.765 1.00 0.86 C ATOM 1126 C ALA A 79 6.762 -5.102 9.421 1.00 0.73 C ATOM 1127 O ALA A 79 5.554 -5.300 9.297 1.00 0.77 O ATOM 1128 CB ALA A 79 8.109 -3.977 11.213 1.00 0.88 C ATOM 0 H ALA A 79 9.392 -6.018 10.505 1.00 0.91 H new ATOM 0 HA ALA A 79 6.707 -5.548 11.511 1.00 0.86 H new ATOM 0 HB1 ALA A 79 7.355 -3.193 11.277 1.00 0.88 H new ATOM 0 HB2 ALA A 79 8.568 -4.119 12.191 1.00 0.88 H new ATOM 0 HB3 ALA A 79 8.873 -3.687 10.492 1.00 0.88 H new ATOM 1134 N PHE A 80 7.546 -4.751 8.414 1.00 0.65 N ATOM 1135 CA PHE A 80 7.041 -4.565 7.062 1.00 0.60 C ATOM 1136 C PHE A 80 8.086 -5.050 6.070 1.00 0.72 C ATOM 1137 O PHE A 80 9.261 -5.135 6.404 1.00 1.37 O ATOM 1138 CB PHE A 80 6.701 -3.090 6.802 1.00 0.58 C ATOM 1139 CG PHE A 80 5.675 -2.531 7.744 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.330 -2.811 7.567 1.00 0.56 C ATOM 1141 CD2 PHE A 80 6.055 -1.718 8.800 1.00 0.72 C ATOM 1142 CE1 PHE A 80 3.382 -2.291 8.427 1.00 0.65 C ATOM 1143 CE2 PHE A 80 5.112 -1.196 9.662 1.00 0.82 C ATOM 1144 CZ PHE A 80 3.778 -1.513 9.499 1.00 0.77 C ATOM 0 H PHE A 80 8.548 -4.587 8.510 1.00 0.65 H new ATOM 0 HA PHE A 80 6.125 -5.144 6.941 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.613 -2.497 6.879 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.338 -2.985 5.780 1.00 0.58 H new ATOM 0 HD1 PHE A 80 4.019 -3.443 6.748 1.00 0.56 H new ATOM 0 HD2 PHE A 80 7.100 -1.491 8.950 1.00 0.72 H new ATOM 0 HE1 PHE A 80 2.334 -2.492 8.262 1.00 0.65 H new ATOM 0 HE2 PHE A 80 5.417 -0.540 10.464 1.00 0.82 H new ATOM 0 HZ PHE A 80 3.046 -1.154 10.207 1.00 0.77 H new ATOM 1154 N GLY A 81 7.670 -5.361 4.858 1.00 0.52 N ATOM 1155 CA GLY A 81 8.596 -5.920 3.898 1.00 0.57 C ATOM 1156 C GLY A 81 9.118 -4.880 2.938 1.00 0.50 C ATOM 1157 O GLY A 81 10.186 -4.302 3.144 1.00 0.54 O ATOM 0 H GLY A 81 6.715 -5.239 4.521 1.00 0.52 H new ATOM 0 HA2 GLY A 81 9.433 -6.377 4.426 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.101 -6.713 3.338 1.00 0.57 H new ATOM 1161 N TYR A 82 8.351 -4.630 1.896 1.00 0.45 N ATOM 1162 CA TYR A 82 8.744 -3.698 0.859 1.00 0.44 C ATOM 1163 C TYR A 82 7.564 -2.816 0.490 1.00 0.41 C ATOM 1164 O TYR A 82 6.412 -3.233 0.616 1.00 0.46 O ATOM 1165 CB TYR A 82 9.237 -4.457 -0.381 1.00 0.54 C ATOM 1166 CG TYR A 82 8.231 -5.461 -0.920 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.105 -6.721 -0.348 1.00 1.33 C ATOM 1168 CD2 TYR A 82 7.404 -5.142 -1.991 1.00 1.01 C ATOM 1169 CE1 TYR A 82 7.186 -7.634 -0.826 1.00 1.92 C ATOM 1170 CE2 TYR A 82 6.482 -6.052 -2.476 1.00 1.53 C ATOM 1171 CZ TYR A 82 6.376 -7.295 -1.890 1.00 1.98 C ATOM 1172 OH TYR A 82 5.462 -8.204 -2.374 1.00 2.58 O ATOM 0 H TYR A 82 7.441 -5.065 1.745 1.00 0.45 H new ATOM 0 HA TYR A 82 9.557 -3.075 1.233 1.00 0.44 H new ATOM 0 HB2 TYR A 82 9.476 -3.739 -1.165 1.00 0.54 H new ATOM 0 HB3 TYR A 82 10.161 -4.979 -0.134 1.00 0.54 H new ATOM 0 HD1 TYR A 82 8.737 -6.991 0.485 1.00 1.33 H new ATOM 0 HD2 TYR A 82 7.483 -4.168 -2.452 1.00 1.01 H new ATOM 0 HE1 TYR A 82 7.102 -8.609 -0.369 1.00 1.92 H new ATOM 0 HE2 TYR A 82 5.848 -5.790 -3.310 1.00 1.53 H new ATOM 0 HH TYR A 82 4.941 -8.572 -1.630 1.00 2.58 H new ATOM 1182 N TYR A 83 7.844 -1.615 0.031 1.00 0.36 N ATOM 1183 CA TYR A 83 6.798 -0.706 -0.378 1.00 0.38 C ATOM 1184 C TYR A 83 7.106 -0.138 -1.755 1.00 0.38 C ATOM 1185 O TYR A 83 8.260 -0.105 -2.182 1.00 0.43 O ATOM 1186 CB TYR A 83 6.608 0.416 0.654 1.00 0.39 C ATOM 1187 CG TYR A 83 7.648 1.516 0.635 1.00 0.39 C ATOM 1188 CD1 TYR A 83 7.549 2.580 -0.247 1.00 0.41 C ATOM 1189 CD2 TYR A 83 8.741 1.471 1.488 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.513 3.572 -0.279 1.00 0.49 C ATOM 1191 CE2 TYR A 83 9.710 2.456 1.462 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.525 3.568 0.619 1.00 0.56 C ATOM 1193 OH TYR A 83 10.557 4.489 0.545 1.00 0.68 O ATOM 0 H TYR A 83 8.790 -1.246 -0.068 1.00 0.36 H new ATOM 0 HA TYR A 83 5.861 -1.260 -0.436 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.628 0.866 0.496 1.00 0.39 H new ATOM 0 HB3 TYR A 83 6.597 -0.030 1.649 1.00 0.39 H new ATOM 0 HD1 TYR A 83 6.706 2.636 -0.920 1.00 0.41 H new ATOM 0 HD2 TYR A 83 8.836 0.651 2.185 1.00 0.50 H new ATOM 0 HE1 TYR A 83 8.457 4.352 -1.024 1.00 0.49 H new ATOM 0 HE2 TYR A 83 10.594 2.374 2.078 1.00 0.58 H new ATOM 0 HH TYR A 83 11.190 4.330 1.276 1.00 0.68 H new ATOM 1203 N LEU A 84 6.070 0.281 -2.453 1.00 0.40 N ATOM 1204 CA LEU A 84 6.222 0.857 -3.777 1.00 0.42 C ATOM 1205 C LEU A 84 5.372 2.110 -3.896 1.00 0.43 C ATOM 1206 O LEU A 84 4.147 2.031 -3.853 1.00 0.50 O ATOM 1207 CB LEU A 84 5.798 -0.150 -4.853 1.00 0.51 C ATOM 1208 CG LEU A 84 6.623 -1.436 -4.927 1.00 0.66 C ATOM 1209 CD1 LEU A 84 6.002 -2.408 -5.920 1.00 1.42 C ATOM 1210 CD2 LEU A 84 8.059 -1.127 -5.322 1.00 1.21 C ATOM 0 H LEU A 84 5.106 0.233 -2.124 1.00 0.40 H new ATOM 0 HA LEU A 84 7.272 1.112 -3.924 1.00 0.42 H new ATOM 0 HB2 LEU A 84 4.756 -0.419 -4.681 1.00 0.51 H new ATOM 0 HB3 LEU A 84 5.843 0.344 -5.824 1.00 0.51 H new ATOM 0 HG LEU A 84 6.627 -1.899 -3.940 1.00 0.66 H new ATOM 0 HD11 LEU A 84 6.601 -3.318 -5.961 1.00 1.42 H new ATOM 0 HD12 LEU A 84 4.989 -2.654 -5.603 1.00 1.42 H new ATOM 0 HD13 LEU A 84 5.971 -1.949 -6.908 1.00 1.42 H new ATOM 0 HD21 LEU A 84 8.631 -2.054 -5.370 1.00 1.21 H new ATOM 0 HD22 LEU A 84 8.072 -0.642 -6.298 1.00 1.21 H new ATOM 0 HD23 LEU A 84 8.505 -0.463 -4.582 1.00 1.21 H new ATOM 1222 N THR A 85 6.010 3.255 -4.055 1.00 0.43 N ATOM 1223 CA THR A 85 5.296 4.495 -4.213 1.00 0.47 C ATOM 1224 C THR A 85 4.921 4.662 -5.672 1.00 0.45 C ATOM 1225 O THR A 85 5.740 5.069 -6.494 1.00 0.50 O ATOM 1226 CB THR A 85 6.157 5.692 -3.788 1.00 0.58 C ATOM 1227 OG1 THR A 85 6.767 5.451 -2.516 1.00 0.75 O ATOM 1228 CG2 THR A 85 5.320 6.949 -3.724 1.00 0.98 C ATOM 0 H THR A 85 7.026 3.345 -4.077 1.00 0.43 H new ATOM 0 HA THR A 85 4.408 4.463 -3.581 1.00 0.47 H new ATOM 0 HB THR A 85 6.941 5.825 -4.533 1.00 0.58 H new ATOM 0 HG1 THR A 85 6.167 4.907 -1.963 1.00 0.75 H new ATOM 0 HG21 THR A 85 5.946 7.788 -3.421 1.00 0.98 H new ATOM 0 HG22 THR A 85 4.892 7.152 -4.706 1.00 0.98 H new ATOM 0 HG23 THR A 85 4.517 6.815 -2.999 1.00 0.98 H new ATOM 1236 N LEU A 86 3.696 4.322 -5.991 1.00 0.43 N ATOM 1237 CA LEU A 86 3.252 4.313 -7.366 1.00 0.43 C ATOM 1238 C LEU A 86 2.065 5.234 -7.525 1.00 0.45 C ATOM 1239 O LEU A 86 1.059 5.096 -6.822 1.00 0.50 O ATOM 1240 CB LEU A 86 2.907 2.873 -7.753 1.00 0.46 C ATOM 1241 CG LEU A 86 2.656 2.569 -9.231 1.00 0.63 C ATOM 1242 CD1 LEU A 86 2.708 1.069 -9.446 1.00 1.23 C ATOM 1243 CD2 LEU A 86 1.307 3.099 -9.690 1.00 1.35 C ATOM 0 H LEU A 86 2.984 4.046 -5.314 1.00 0.43 H new ATOM 0 HA LEU A 86 4.038 4.676 -8.029 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.720 2.232 -7.413 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.017 2.581 -7.196 1.00 0.46 H new ATOM 0 HG LEU A 86 3.429 3.065 -9.818 1.00 0.63 H new ATOM 0 HD11 LEU A 86 2.530 0.846 -10.498 1.00 1.23 H new ATOM 0 HD12 LEU A 86 3.690 0.694 -9.157 1.00 1.23 H new ATOM 0 HD13 LEU A 86 1.942 0.588 -8.838 1.00 1.23 H new ATOM 0 HD21 LEU A 86 1.164 2.864 -10.745 1.00 1.35 H new ATOM 0 HD22 LEU A 86 0.515 2.634 -9.104 1.00 1.35 H new ATOM 0 HD23 LEU A 86 1.274 4.180 -9.551 1.00 1.35 H new ATOM 1255 N THR A 87 2.183 6.186 -8.426 1.00 0.48 N ATOM 1256 CA THR A 87 1.089 7.082 -8.686 1.00 0.55 C ATOM 1257 C THR A 87 0.132 6.457 -9.693 1.00 0.55 C ATOM 1258 O THR A 87 0.526 6.125 -10.813 1.00 0.56 O ATOM 1259 CB THR A 87 1.619 8.427 -9.216 1.00 0.61 C ATOM 1260 OG1 THR A 87 2.943 8.249 -9.743 1.00 1.21 O ATOM 1261 CG2 THR A 87 1.646 9.478 -8.117 1.00 1.26 C ATOM 0 H THR A 87 3.020 6.355 -8.984 1.00 0.48 H new ATOM 0 HA THR A 87 0.551 7.263 -7.755 1.00 0.55 H new ATOM 0 HB THR A 87 0.949 8.772 -10.004 1.00 0.61 H new ATOM 0 HG1 THR A 87 3.278 9.105 -10.081 1.00 1.21 H new ATOM 0 HG21 THR A 87 2.025 10.417 -8.521 1.00 1.26 H new ATOM 0 HG22 THR A 87 0.637 9.629 -7.733 1.00 1.26 H new ATOM 0 HG23 THR A 87 2.296 9.142 -7.309 1.00 1.26 H new ATOM 1269 N ARG A 88 -1.122 6.335 -9.273 1.00 0.60 N ATOM 1270 CA ARG A 88 -2.206 5.789 -10.087 1.00 0.67 C ATOM 1271 C ARG A 88 -3.347 5.366 -9.173 1.00 0.71 C ATOM 1272 O ARG A 88 -3.125 4.660 -8.190 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.787 4.563 -10.917 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.696 4.341 -12.113 1.00 0.93 C ATOM 1275 CD ARG A 88 -2.186 3.226 -12.996 1.00 1.05 C ATOM 1276 NE ARG A 88 -2.142 1.952 -12.290 1.00 0.86 N ATOM 1277 CZ ARG A 88 -1.076 1.171 -12.244 1.00 0.99 C ATOM 1278 NH1 ARG A 88 0.082 1.595 -12.739 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -1.156 -0.012 -11.650 1.00 1.34 N ATOM 0 H ARG A 88 -1.421 6.618 -8.340 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.503 6.576 -10.781 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.761 4.693 -11.262 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -1.800 3.676 -10.284 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.702 4.102 -11.768 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.768 5.261 -12.692 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.828 3.134 -13.872 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -1.188 3.476 -13.357 1.00 1.05 H new ATOM 0 HE ARG A 88 -2.983 1.644 -11.802 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.149 2.524 -13.155 1.00 1.06 H new ATOM 0 HH12 ARG A 88 0.904 0.992 -12.703 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -2.036 -0.314 -11.232 1.00 1.34 H new ATOM 0 HH22 ARG A 88 -0.338 -0.619 -11.611 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.557 5.800 -9.487 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.728 5.421 -8.713 1.00 0.55 C ATOM 1295 C LEU A 89 -7.001 5.673 -9.492 1.00 0.55 C ATOM 1296 O LEU A 89 -7.025 6.464 -10.435 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.801 6.188 -7.390 1.00 0.62 C ATOM 1298 CG LEU A 89 -5.573 5.353 -6.128 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -5.901 6.174 -4.896 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -6.409 4.082 -6.153 1.00 1.06 C ATOM 0 H LEU A 89 -4.754 6.417 -10.275 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.632 4.356 -8.503 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -5.061 6.988 -7.413 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -6.780 6.661 -7.319 1.00 0.62 H new ATOM 0 HG LEU A 89 -4.523 5.064 -6.095 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -5.736 5.572 -4.003 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -5.259 7.054 -4.864 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -6.944 6.487 -4.935 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -6.227 3.509 -5.244 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -7.466 4.343 -6.212 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -6.134 3.483 -7.021 1.00 1.06 H new ATOM 1312 N ASP A 90 -8.051 4.997 -9.069 1.00 0.47 N ATOM 1313 CA ASP A 90 -9.372 5.160 -9.642 1.00 0.52 C ATOM 1314 C ASP A 90 -10.394 5.143 -8.526 1.00 0.53 C ATOM 1315 O ASP A 90 -10.156 4.543 -7.476 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.695 4.032 -10.627 1.00 0.68 C ATOM 1317 CG ASP A 90 -8.972 4.164 -11.950 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -9.513 4.836 -12.854 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -7.881 3.577 -12.098 1.00 2.21 O ATOM 0 H ASP A 90 -8.011 4.314 -8.312 1.00 0.47 H new ATOM 0 HA ASP A 90 -9.400 6.107 -10.181 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -9.433 3.077 -10.172 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -10.770 4.015 -10.809 1.00 0.68 H new ATOM 1324 N LYS A 91 -11.526 5.786 -8.741 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.609 5.740 -7.777 1.00 0.75 C ATOM 1326 C LYS A 91 -13.121 4.303 -7.671 1.00 0.79 C ATOM 1327 O LYS A 91 -13.486 3.834 -6.592 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.724 6.704 -8.194 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.587 7.190 -7.039 1.00 1.15 C ATOM 1330 CD LYS A 91 -15.655 6.183 -6.652 1.00 1.38 C ATOM 1331 CE LYS A 91 -16.481 6.689 -5.485 1.00 1.71 C ATOM 1332 NZ LYS A 91 -17.741 5.923 -5.315 1.00 2.24 N ATOM 0 H LYS A 91 -11.719 6.345 -9.572 1.00 0.63 H new ATOM 0 HA LYS A 91 -12.252 6.055 -6.797 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -13.278 7.567 -8.689 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -14.361 6.210 -8.928 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -13.953 7.393 -6.176 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -15.062 8.132 -7.315 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -16.305 5.990 -7.506 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -15.187 5.235 -6.387 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.892 6.624 -4.570 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -16.716 7.742 -5.638 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -18.485 6.554 -4.956 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -18.034 5.529 -6.232 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -17.588 5.148 -4.638 1.00 2.24 H new ATOM 1346 N ALA A 92 -13.106 3.598 -8.797 1.00 0.81 N ATOM 1347 CA ALA A 92 -13.455 2.184 -8.820 1.00 0.94 C ATOM 1348 C ALA A 92 -12.369 1.351 -8.145 1.00 0.81 C ATOM 1349 O ALA A 92 -12.647 0.309 -7.556 1.00 0.81 O ATOM 1350 CB ALA A 92 -13.676 1.707 -10.248 1.00 1.13 C ATOM 0 H ALA A 92 -12.855 3.984 -9.707 1.00 0.81 H new ATOM 0 HA ALA A 92 -14.385 2.055 -8.266 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -13.936 0.648 -10.242 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -14.487 2.277 -10.701 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -12.763 1.853 -10.826 1.00 1.13 H new ATOM 1356 N ALA A 93 -11.129 1.831 -8.214 1.00 0.73 N ATOM 1357 CA ALA A 93 -10.013 1.140 -7.587 1.00 0.67 C ATOM 1358 C ALA A 93 -10.116 1.253 -6.075 1.00 0.57 C ATOM 1359 O ALA A 93 -9.691 0.360 -5.347 1.00 0.57 O ATOM 1360 CB ALA A 93 -8.684 1.692 -8.079 1.00 0.69 C ATOM 0 H ALA A 93 -10.876 2.693 -8.697 1.00 0.73 H new ATOM 0 HA ALA A 93 -10.058 0.087 -7.864 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -7.867 1.158 -7.595 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -8.613 1.562 -9.159 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.618 2.753 -7.837 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.693 2.358 -5.616 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.991 2.547 -4.200 1.00 0.58 C ATOM 1368 C CYS A 94 -11.869 1.407 -3.697 1.00 0.60 C ATOM 1369 O CYS A 94 -11.595 0.807 -2.658 1.00 0.63 O ATOM 1370 CB CYS A 94 -11.700 3.889 -3.989 1.00 0.67 C ATOM 1371 SG CYS A 94 -12.199 4.225 -2.272 1.00 1.02 S ATOM 0 H CYS A 94 -10.966 3.142 -6.209 1.00 0.55 H new ATOM 0 HA CYS A 94 -10.057 2.549 -3.638 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -11.040 4.689 -4.324 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -12.586 3.920 -4.623 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.902 1.093 -4.468 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.807 0.003 -4.140 1.00 0.71 C ATOM 1378 C VAL A 95 -13.077 -1.329 -4.207 1.00 0.65 C ATOM 1379 O VAL A 95 -13.272 -2.203 -3.367 1.00 0.67 O ATOM 1380 CB VAL A 95 -15.009 -0.030 -5.105 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -16.045 -1.046 -4.647 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.623 1.358 -5.243 1.00 1.04 C ATOM 0 H VAL A 95 -13.134 1.584 -5.332 1.00 0.64 H new ATOM 0 HA VAL A 95 -14.172 0.170 -3.127 1.00 0.71 H new ATOM 0 HB VAL A 95 -14.652 -0.340 -6.087 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -16.883 -1.051 -5.344 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -15.593 -2.038 -4.616 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.402 -0.779 -3.652 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.470 1.315 -5.928 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.963 1.704 -4.267 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.876 2.049 -5.633 1.00 1.04 H new ATOM 1392 N SER A 96 -12.222 -1.459 -5.205 1.00 0.62 N ATOM 1393 CA SER A 96 -11.453 -2.671 -5.407 1.00 0.61 C ATOM 1394 C SER A 96 -10.524 -2.929 -4.219 1.00 0.55 C ATOM 1395 O SER A 96 -10.397 -4.062 -3.753 1.00 0.58 O ATOM 1396 CB SER A 96 -10.654 -2.547 -6.701 1.00 0.68 C ATOM 1397 OG SER A 96 -10.153 -3.802 -7.121 1.00 1.00 O ATOM 0 H SER A 96 -12.042 -0.730 -5.895 1.00 0.62 H new ATOM 0 HA SER A 96 -12.133 -3.519 -5.484 1.00 0.61 H new ATOM 0 HB2 SER A 96 -11.287 -2.126 -7.482 1.00 0.68 H new ATOM 0 HB3 SER A 96 -9.826 -1.854 -6.554 1.00 0.68 H new ATOM 0 HG SER A 96 -10.169 -4.429 -6.368 1.00 1.00 H new ATOM 1403 N LEU A 97 -9.892 -1.872 -3.718 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.017 -1.982 -2.557 1.00 0.61 C ATOM 1405 C LEU A 97 -9.825 -2.350 -1.320 1.00 0.63 C ATOM 1406 O LEU A 97 -9.358 -3.087 -0.459 1.00 0.70 O ATOM 1407 CB LEU A 97 -8.265 -0.669 -2.327 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.325 -0.261 -3.468 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.678 1.082 -3.180 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.258 -1.324 -3.689 1.00 0.89 C ATOM 0 H LEU A 97 -9.970 -0.929 -4.099 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.288 -2.770 -2.747 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.992 0.128 -2.171 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.684 -0.755 -1.409 1.00 0.69 H new ATOM 0 HG LEU A 97 -7.918 -0.169 -4.378 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -6.016 1.351 -4.003 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -7.451 1.843 -3.073 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -6.102 1.018 -2.257 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -5.601 -1.016 -4.502 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -5.673 -1.448 -2.777 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -6.735 -2.270 -3.946 1.00 0.89 H new ATOM 1422 N ALA A 98 -11.050 -1.850 -1.263 1.00 0.64 N ATOM 1423 CA ALA A 98 -11.958 -2.153 -0.167 1.00 0.75 C ATOM 1424 C ALA A 98 -12.525 -3.564 -0.296 1.00 0.71 C ATOM 1425 O ALA A 98 -13.287 -4.016 0.553 1.00 0.85 O ATOM 1426 CB ALA A 98 -13.081 -1.132 -0.112 1.00 0.92 C ATOM 0 H ALA A 98 -11.441 -1.227 -1.970 1.00 0.64 H new ATOM 0 HA ALA A 98 -11.393 -2.102 0.764 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -13.751 -1.373 0.713 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -12.661 -0.137 0.040 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.637 -1.152 -1.049 1.00 0.92 H new ATOM 1432 N THR A 99 -12.182 -4.241 -1.382 1.00 0.66 N ATOM 1433 CA THR A 99 -12.585 -5.624 -1.571 1.00 0.71 C ATOM 1434 C THR A 99 -11.363 -6.529 -1.692 1.00 0.66 C ATOM 1435 O THR A 99 -11.478 -7.727 -1.945 1.00 0.77 O ATOM 1436 CB THR A 99 -13.482 -5.787 -2.816 1.00 0.81 C ATOM 1437 OG1 THR A 99 -12.800 -5.343 -3.996 1.00 0.82 O ATOM 1438 CG2 THR A 99 -14.773 -5.002 -2.653 1.00 0.92 C ATOM 0 H THR A 99 -11.626 -3.854 -2.145 1.00 0.66 H new ATOM 0 HA THR A 99 -13.162 -5.918 -0.694 1.00 0.71 H new ATOM 0 HB THR A 99 -13.718 -6.846 -2.919 1.00 0.81 H new ATOM 0 HG1 THR A 99 -11.895 -5.051 -3.760 1.00 0.82 H new ATOM 0 HG21 THR A 99 -15.391 -5.130 -3.541 1.00 0.92 H new ATOM 0 HG22 THR A 99 -15.313 -5.367 -1.779 1.00 0.92 H new ATOM 0 HG23 THR A 99 -14.542 -3.945 -2.521 1.00 0.92 H new ATOM 1446 N LEU A 100 -10.192 -5.944 -1.504 1.00 0.59 N ATOM 1447 CA LEU A 100 -8.947 -6.686 -1.581 1.00 0.61 C ATOM 1448 C LEU A 100 -8.527 -7.100 -0.182 1.00 0.66 C ATOM 1449 O LEU A 100 -7.813 -6.363 0.492 1.00 0.93 O ATOM 1450 CB LEU A 100 -7.856 -5.817 -2.204 1.00 0.60 C ATOM 1451 CG LEU A 100 -6.796 -6.556 -3.031 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -5.842 -5.562 -3.672 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -6.021 -7.553 -2.180 1.00 0.73 C ATOM 0 H LEU A 100 -10.078 -4.952 -1.296 1.00 0.59 H new ATOM 0 HA LEU A 100 -9.093 -7.570 -2.202 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -8.332 -5.073 -2.843 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -7.351 -5.274 -1.405 1.00 0.60 H new ATOM 0 HG LEU A 100 -7.312 -7.113 -3.813 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -5.095 -6.099 -4.256 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -6.400 -4.892 -4.326 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -5.346 -4.981 -2.895 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -5.279 -8.059 -2.797 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -5.520 -7.026 -1.368 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -6.709 -8.289 -1.764 1.00 0.73 H new ATOM 1465 N ASN A 101 -8.981 -8.267 0.262 1.00 0.60 N ATOM 1466 CA ASN A 101 -8.733 -8.696 1.631 1.00 0.66 C ATOM 1467 C ASN A 101 -7.243 -8.821 1.917 1.00 0.70 C ATOM 1468 O ASN A 101 -6.576 -9.748 1.455 1.00 0.79 O ATOM 1469 CB ASN A 101 -9.447 -10.008 1.943 1.00 0.80 C ATOM 1470 CG ASN A 101 -9.227 -10.430 3.381 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -8.337 -11.224 3.681 1.00 1.29 O ATOM 1472 ND2 ASN A 101 -10.008 -9.862 4.285 1.00 1.12 N ATOM 0 H ASN A 101 -9.518 -8.927 -0.301 1.00 0.60 H new ATOM 0 HA ASN A 101 -9.139 -7.924 2.285 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -10.515 -9.896 1.755 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -9.085 -10.789 1.274 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -9.884 -10.077 5.274 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -10.735 -9.209 3.993 1.00 1.12 H new ATOM 1479 N LEU A 102 -6.741 -7.866 2.687 1.00 0.76 N ATOM 1480 CA LEU A 102 -5.336 -7.820 3.066 1.00 0.88 C ATOM 1481 C LEU A 102 -5.081 -8.638 4.325 1.00 0.99 C ATOM 1482 O LEU A 102 -4.003 -8.580 4.911 1.00 1.50 O ATOM 1483 CB LEU A 102 -4.907 -6.364 3.281 1.00 1.07 C ATOM 1484 CG LEU A 102 -4.996 -5.464 2.044 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -4.462 -4.076 2.358 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -4.240 -6.073 0.873 1.00 1.47 C ATOM 0 H LEU A 102 -7.297 -7.100 3.067 1.00 0.76 H new ATOM 0 HA LEU A 102 -4.745 -8.255 2.260 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -5.525 -5.933 4.068 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -3.879 -6.355 3.643 1.00 1.07 H new ATOM 0 HG LEU A 102 -6.045 -5.378 1.762 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -4.532 -3.449 1.469 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -5.050 -3.633 3.162 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -3.420 -4.149 2.669 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -4.319 -5.415 0.008 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -3.191 -6.196 1.142 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -4.668 -7.045 0.630 1.00 1.47 H new ATOM 1498 N GLY A 103 -6.071 -9.422 4.726 1.00 0.92 N ATOM 1499 CA GLY A 103 -5.914 -10.278 5.882 1.00 1.04 C ATOM 1500 C GLY A 103 -5.302 -11.611 5.504 1.00 1.12 C ATOM 1501 O GLY A 103 -5.029 -12.450 6.362 1.00 1.70 O ATOM 0 H GLY A 103 -6.982 -9.480 4.270 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -5.283 -9.783 6.620 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -6.885 -10.441 6.350 1.00 1.04 H new ATOM 1505 N THR A 104 -5.095 -11.805 4.209 1.00 1.03 N ATOM 1506 CA THR A 104 -4.522 -13.035 3.691 1.00 1.28 C ATOM 1507 C THR A 104 -2.996 -12.961 3.674 1.00 1.06 C ATOM 1508 O THR A 104 -2.323 -13.677 4.415 1.00 1.25 O ATOM 1509 CB THR A 104 -5.048 -13.309 2.274 1.00 1.73 C ATOM 1510 OG1 THR A 104 -5.042 -12.088 1.525 1.00 2.31 O ATOM 1511 CG2 THR A 104 -6.458 -13.881 2.314 1.00 2.21 C ATOM 0 H THR A 104 -5.319 -11.115 3.492 1.00 1.03 H new ATOM 0 HA THR A 104 -4.820 -13.852 4.348 1.00 1.28 H new ATOM 0 HB THR A 104 -4.398 -14.043 1.797 1.00 1.73 H new ATOM 0 HG1 THR A 104 -5.857 -11.580 1.721 1.00 2.31 H new ATOM 0 HG21 THR A 104 -6.805 -14.065 1.297 1.00 2.21 H new ATOM 0 HG22 THR A 104 -6.455 -14.818 2.872 1.00 2.21 H new ATOM 0 HG23 THR A 104 -7.125 -13.170 2.802 1.00 2.21 H new ATOM 1519 N SER A 105 -2.454 -12.083 2.837 1.00 0.97 N ATOM 1520 CA SER A 105 -1.015 -11.890 2.760 1.00 1.06 C ATOM 1521 C SER A 105 -0.698 -10.419 2.514 1.00 1.02 C ATOM 1522 O SER A 105 -0.355 -10.013 1.408 1.00 1.48 O ATOM 1523 CB SER A 105 -0.405 -12.762 1.655 1.00 1.35 C ATOM 1524 OG SER A 105 1.010 -12.812 1.758 1.00 2.06 O ATOM 0 H SER A 105 -2.993 -11.494 2.202 1.00 0.97 H new ATOM 0 HA SER A 105 -0.574 -12.192 3.710 1.00 1.06 H new ATOM 0 HB2 SER A 105 -0.812 -13.771 1.719 1.00 1.35 H new ATOM 0 HB3 SER A 105 -0.687 -12.366 0.679 1.00 1.35 H new ATOM 0 HG SER A 105 1.407 -12.175 1.128 1.00 2.06 H new ATOM 1530 N ALA A 106 -0.882 -9.618 3.546 1.00 0.76 N ATOM 1531 CA ALA A 106 -0.522 -8.216 3.498 1.00 0.73 C ATOM 1532 C ALA A 106 -0.023 -7.759 4.856 1.00 0.59 C ATOM 1533 O ALA A 106 -0.096 -8.505 5.832 1.00 0.67 O ATOM 1534 CB ALA A 106 -1.703 -7.379 3.059 1.00 0.90 C ATOM 0 H ALA A 106 -1.282 -9.919 4.435 1.00 0.76 H new ATOM 0 HA ALA A 106 0.278 -8.086 2.769 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -1.413 -6.329 3.029 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -2.024 -7.695 2.067 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -2.523 -7.509 3.765 1.00 0.90 H new ATOM 1540 N LYS A 107 0.489 -6.543 4.916 1.00 0.51 N ATOM 1541 CA LYS A 107 1.010 -6.013 6.163 1.00 0.47 C ATOM 1542 C LYS A 107 0.023 -5.030 6.791 1.00 0.51 C ATOM 1543 O LYS A 107 -0.223 -5.070 7.994 1.00 0.70 O ATOM 1544 CB LYS A 107 2.353 -5.316 5.935 1.00 0.58 C ATOM 1545 CG LYS A 107 3.336 -6.108 5.081 1.00 0.99 C ATOM 1546 CD LYS A 107 3.707 -7.437 5.720 1.00 0.67 C ATOM 1547 CE LYS A 107 4.374 -7.237 7.071 1.00 1.07 C ATOM 1548 NZ LYS A 107 4.719 -8.529 7.723 1.00 1.69 N ATOM 0 H LYS A 107 0.555 -5.907 4.121 1.00 0.51 H new ATOM 0 HA LYS A 107 1.155 -6.851 6.845 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.172 -4.352 5.460 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.812 -5.113 6.903 1.00 0.58 H new ATOM 0 HG2 LYS A 107 2.899 -6.288 4.099 1.00 0.99 H new ATOM 0 HG3 LYS A 107 4.238 -5.517 4.925 1.00 0.99 H new ATOM 0 HD2 LYS A 107 2.811 -8.046 5.842 1.00 0.67 H new ATOM 0 HD3 LYS A 107 4.378 -7.985 5.059 1.00 0.67 H new ATOM 0 HE2 LYS A 107 5.279 -6.643 6.943 1.00 1.07 H new ATOM 0 HE3 LYS A 107 3.709 -6.669 7.722 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 5.171 -8.345 8.641 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 3.853 -9.086 7.869 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 5.374 -9.061 7.115 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.533 -4.142 5.969 1.00 0.50 N ATOM 1563 CA GLY A 108 -1.473 -3.152 6.461 1.00 0.61 C ATOM 1564 C GLY A 108 -1.863 -2.154 5.396 1.00 0.58 C ATOM 1565 O GLY A 108 -1.327 -2.179 4.294 1.00 0.81 O ATOM 0 H GLY A 108 -0.347 -4.092 4.967 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -2.367 -3.655 6.830 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -1.032 -2.624 7.307 1.00 0.61 H new ATOM 1569 N TYR A 109 -2.784 -1.268 5.729 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.300 -0.307 4.768 1.00 0.49 C ATOM 1571 C TYR A 109 -3.561 1.038 5.460 1.00 0.47 C ATOM 1572 O TYR A 109 -4.306 1.101 6.431 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.580 -0.902 4.174 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.199 -0.138 3.030 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -5.920 1.021 3.265 1.00 1.25 C ATOM 1576 CD2 TYR A 109 -5.027 -0.550 1.723 1.00 0.98 C ATOM 1577 CE1 TYR A 109 -6.462 1.747 2.220 1.00 1.39 C ATOM 1578 CE2 TYR A 109 -5.554 0.169 0.673 1.00 1.13 C ATOM 1579 CZ TYR A 109 -6.403 1.222 0.932 1.00 0.99 C ATOM 1580 OH TYR A 109 -6.797 2.031 -0.125 1.00 1.28 O ATOM 0 H TYR A 109 -3.192 -1.193 6.661 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.583 -0.116 3.970 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.361 -1.914 3.832 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.320 -0.987 4.970 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -6.061 1.363 4.280 1.00 1.25 H new ATOM 0 HD2 TYR A 109 -4.469 -1.452 1.521 1.00 0.98 H new ATOM 0 HE1 TYR A 109 -6.924 2.706 2.400 1.00 1.39 H new ATOM 0 HE2 TYR A 109 -5.304 -0.091 -0.345 1.00 1.13 H new ATOM 0 HH TYR A 109 -7.076 2.905 0.219 1.00 1.28 H new ATOM 1590 N GLY A 110 -2.959 2.116 4.966 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.080 3.400 5.645 1.00 0.48 C ATOM 1592 C GLY A 110 -3.442 4.540 4.717 1.00 0.52 C ATOM 1593 O GLY A 110 -2.650 4.935 3.864 1.00 0.85 O ATOM 0 H GLY A 110 -2.394 2.127 4.117 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -3.839 3.321 6.424 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.137 3.631 6.141 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.629 5.097 4.909 1.00 0.44 N ATOM 1598 CA VAL A 111 -5.125 6.150 4.036 1.00 0.50 C ATOM 1599 C VAL A 111 -4.672 7.520 4.527 1.00 0.50 C ATOM 1600 O VAL A 111 -4.848 7.852 5.699 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.666 6.132 3.945 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -7.157 7.079 2.859 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -7.172 4.723 3.692 1.00 1.53 C ATOM 0 H VAL A 111 -5.266 4.837 5.662 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.712 5.962 3.045 1.00 0.50 H new ATOM 0 HB VAL A 111 -7.064 6.474 4.900 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -8.246 7.048 2.815 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.832 8.094 3.087 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.746 6.774 1.897 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -8.260 4.733 3.631 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.760 4.351 2.754 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.860 4.072 4.509 1.00 1.53 H new ATOM 1613 N ASN A 112 -4.087 8.298 3.614 1.00 0.53 N ATOM 1614 CA ASN A 112 -3.612 9.663 3.886 1.00 0.60 C ATOM 1615 C ASN A 112 -2.254 9.684 4.574 1.00 0.56 C ATOM 1616 O ASN A 112 -1.615 10.734 4.636 1.00 0.69 O ATOM 1617 CB ASN A 112 -4.623 10.486 4.692 1.00 0.69 C ATOM 1618 CG ASN A 112 -5.620 11.197 3.806 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -5.367 12.308 3.343 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -6.763 10.572 3.572 1.00 1.16 N ATOM 0 H ASN A 112 -3.926 7.998 2.653 1.00 0.53 H new ATOM 0 HA ASN A 112 -3.500 10.129 2.907 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -5.155 9.830 5.381 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -4.091 11.219 5.298 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -7.474 11.012 2.988 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -6.932 9.651 3.976 1.00 1.16 H new ATOM 1627 N ILE A 113 -1.808 8.536 5.068 1.00 0.54 N ATOM 1628 CA ILE A 113 -0.505 8.442 5.717 1.00 0.54 C ATOM 1629 C ILE A 113 0.607 8.815 4.741 1.00 0.60 C ATOM 1630 O ILE A 113 0.661 8.307 3.622 1.00 0.73 O ATOM 1631 CB ILE A 113 -0.230 7.021 6.290 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -0.990 6.784 7.603 1.00 0.77 C ATOM 1633 CG2 ILE A 113 1.261 6.805 6.520 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -2.488 6.671 7.450 1.00 0.83 C ATOM 0 H ILE A 113 -2.327 7.659 5.032 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.519 9.144 6.550 1.00 0.54 H new ATOM 0 HB ILE A 113 -0.586 6.305 5.549 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -0.615 5.871 8.065 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -0.769 7.602 8.289 1.00 0.77 H new ATOM 0 HG21 ILE A 113 1.426 5.805 6.921 1.00 0.76 H new ATOM 0 HG22 ILE A 113 1.794 6.910 5.575 1.00 0.76 H new ATOM 0 HG23 ILE A 113 1.631 7.545 7.229 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.942 6.505 8.427 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -2.880 7.592 7.020 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.725 5.834 6.793 1.00 0.83 H new ATOM 1646 N SER A 114 1.465 9.731 5.156 1.00 0.60 N ATOM 1647 CA SER A 114 2.654 10.051 4.398 1.00 0.70 C ATOM 1648 C SER A 114 3.874 9.682 5.232 1.00 0.67 C ATOM 1649 O SER A 114 4.122 10.270 6.287 1.00 0.77 O ATOM 1650 CB SER A 114 2.678 11.535 4.016 1.00 0.83 C ATOM 1651 OG SER A 114 3.678 11.796 3.046 1.00 1.58 O ATOM 0 H SER A 114 1.356 10.266 6.018 1.00 0.60 H new ATOM 0 HA SER A 114 2.660 9.481 3.469 1.00 0.70 H new ATOM 0 HB2 SER A 114 1.703 11.829 3.626 1.00 0.83 H new ATOM 0 HB3 SER A 114 2.862 12.139 4.904 1.00 0.83 H new ATOM 0 HG SER A 114 3.895 12.752 3.049 1.00 1.58 H new ATOM 1657 N GLY A 115 4.614 8.692 4.762 1.00 0.70 N ATOM 1658 CA GLY A 115 5.699 8.137 5.539 1.00 0.70 C ATOM 1659 C GLY A 115 5.769 6.639 5.375 1.00 0.70 C ATOM 1660 O GLY A 115 5.617 5.896 6.335 1.00 0.75 O ATOM 0 H GLY A 115 4.480 8.260 3.848 1.00 0.70 H new ATOM 0 HA2 GLY A 115 6.642 8.585 5.226 1.00 0.70 H new ATOM 0 HA3 GLY A 115 5.562 8.385 6.591 1.00 0.70 H new ATOM 1664 N GLU A 116 5.998 6.197 4.148 1.00 0.73 N ATOM 1665 CA GLU A 116 5.965 4.784 3.811 1.00 0.77 C ATOM 1666 C GLU A 116 7.097 4.010 4.480 1.00 0.75 C ATOM 1667 O GLU A 116 6.974 2.816 4.727 1.00 0.84 O ATOM 1668 CB GLU A 116 6.035 4.635 2.294 1.00 0.82 C ATOM 1669 CG GLU A 116 4.841 5.255 1.590 1.00 0.97 C ATOM 1670 CD GLU A 116 4.987 5.352 0.082 1.00 1.60 C ATOM 1671 OE1 GLU A 116 5.229 4.327 -0.570 1.00 2.05 O ATOM 1672 OE2 GLU A 116 4.790 6.449 -0.464 1.00 2.30 O ATOM 0 H GLU A 116 6.212 6.808 3.359 1.00 0.73 H new ATOM 0 HA GLU A 116 5.032 4.361 4.184 1.00 0.77 H new ATOM 0 HB2 GLU A 116 6.950 5.102 1.929 1.00 0.82 H new ATOM 0 HB3 GLU A 116 6.093 3.577 2.039 1.00 0.82 H new ATOM 0 HG2 GLU A 116 3.952 4.667 1.820 1.00 0.97 H new ATOM 0 HG3 GLU A 116 4.675 6.254 1.992 1.00 0.97 H new ATOM 1679 N ASN A 117 8.188 4.695 4.800 1.00 0.67 N ATOM 1680 CA ASN A 117 9.323 4.045 5.456 1.00 0.67 C ATOM 1681 C ASN A 117 8.961 3.657 6.892 1.00 0.69 C ATOM 1682 O ASN A 117 9.643 2.847 7.520 1.00 0.75 O ATOM 1683 CB ASN A 117 10.553 4.960 5.454 1.00 0.71 C ATOM 1684 CG ASN A 117 11.813 4.234 5.009 1.00 1.03 C ATOM 1685 OD1 ASN A 117 12.154 4.233 3.827 1.00 1.95 O ATOM 1686 ND2 ASN A 117 12.505 3.606 5.948 1.00 0.96 N ATOM 0 H ASN A 117 8.314 5.691 4.619 1.00 0.67 H new ATOM 0 HA ASN A 117 9.564 3.141 4.896 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.372 5.807 4.792 1.00 0.71 H new ATOM 0 HB3 ASN A 117 10.704 5.364 6.455 1.00 0.71 H new ATOM 0 HD21 ASN A 117 13.354 3.098 5.702 1.00 0.96 H new ATOM 0 HD22 ASN A 117 12.189 3.631 6.917 1.00 0.96 H new ATOM 1693 N ASN A 118 7.881 4.250 7.400 1.00 0.70 N ATOM 1694 CA ASN A 118 7.362 3.932 8.728 1.00 0.80 C ATOM 1695 C ASN A 118 5.903 4.368 8.807 1.00 0.82 C ATOM 1696 O ASN A 118 5.590 5.451 9.304 1.00 1.00 O ATOM 1697 CB ASN A 118 8.189 4.620 9.829 1.00 0.90 C ATOM 1698 CG ASN A 118 7.910 4.088 11.236 1.00 1.75 C ATOM 1699 OD1 ASN A 118 6.666 3.728 11.533 1.00 2.60 O flip ATOM 1700 ND2 ASN A 118 8.816 4.025 12.069 1.00 2.33 N flip ATOM 0 H ASN A 118 7.344 4.961 6.904 1.00 0.70 H new ATOM 0 HA ASN A 118 7.435 2.856 8.889 1.00 0.80 H new ATOM 0 HB2 ASN A 118 9.249 4.494 9.607 1.00 0.90 H new ATOM 0 HB3 ASN A 118 7.984 5.690 9.808 1.00 0.90 H new ATOM 0 HD21 ASN A 118 9.763 4.308 11.815 1.00 2.33 H new ATOM 0 HD22 ASN A 118 8.619 3.690 13.012 1.00 2.33 H new ATOM 1707 N ILE A 119 5.020 3.531 8.279 1.00 0.78 N ATOM 1708 CA ILE A 119 3.597 3.830 8.246 1.00 0.87 C ATOM 1709 C ILE A 119 3.004 3.809 9.658 1.00 0.71 C ATOM 1710 O ILE A 119 3.495 3.102 10.542 1.00 0.73 O ATOM 1711 CB ILE A 119 2.852 2.840 7.316 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.363 3.190 7.214 1.00 1.45 C ATOM 1713 CG2 ILE A 119 3.036 1.410 7.804 1.00 1.38 C ATOM 1714 CD1 ILE A 119 0.608 2.344 6.211 1.00 2.02 C ATOM 0 H ILE A 119 5.268 2.633 7.865 1.00 0.78 H new ATOM 0 HA ILE A 119 3.468 4.835 7.843 1.00 0.87 H new ATOM 0 HB ILE A 119 3.283 2.924 6.319 1.00 1.22 H new ATOM 0 HG12 ILE A 119 0.903 3.072 8.195 1.00 1.45 H new ATOM 0 HG13 ILE A 119 1.263 4.240 6.939 1.00 1.45 H new ATOM 0 HG21 ILE A 119 2.506 0.728 7.139 1.00 1.38 H new ATOM 0 HG22 ILE A 119 4.097 1.161 7.809 1.00 1.38 H new ATOM 0 HG23 ILE A 119 2.637 1.316 8.814 1.00 1.38 H new ATOM 0 HD11 ILE A 119 -0.439 2.648 6.193 1.00 2.02 H new ATOM 0 HD12 ILE A 119 1.042 2.480 5.220 1.00 2.02 H new ATOM 0 HD13 ILE A 119 0.676 1.294 6.496 1.00 2.02 H new ATOM 1726 N THR A 120 1.974 4.616 9.862 1.00 0.70 N ATOM 1727 CA THR A 120 1.332 4.758 11.164 1.00 0.64 C ATOM 1728 C THR A 120 0.579 3.481 11.564 1.00 0.56 C ATOM 1729 O THR A 120 0.233 2.661 10.711 1.00 0.54 O ATOM 1730 CB THR A 120 0.354 5.951 11.128 1.00 0.79 C ATOM 1731 OG1 THR A 120 0.963 7.044 10.428 1.00 1.59 O ATOM 1732 CG2 THR A 120 -0.028 6.410 12.530 1.00 1.33 C ATOM 0 H THR A 120 1.558 5.192 9.130 1.00 0.70 H new ATOM 0 HA THR A 120 2.109 4.935 11.908 1.00 0.64 H new ATOM 0 HB THR A 120 -0.552 5.625 10.617 1.00 0.79 H new ATOM 0 HG1 THR A 120 0.343 7.802 10.402 1.00 1.59 H new ATOM 0 HG21 THR A 120 -0.718 7.251 12.462 1.00 1.33 H new ATOM 0 HG22 THR A 120 -0.508 5.589 13.063 1.00 1.33 H new ATOM 0 HG23 THR A 120 0.868 6.718 13.069 1.00 1.33 H new ATOM 1740 N SER A 121 0.337 3.324 12.867 1.00 0.57 N ATOM 1741 CA SER A 121 -0.406 2.187 13.400 1.00 0.55 C ATOM 1742 C SER A 121 -1.803 2.076 12.777 1.00 0.52 C ATOM 1743 O SER A 121 -2.344 3.055 12.257 1.00 0.57 O ATOM 1744 CB SER A 121 -0.494 2.322 14.919 1.00 0.65 C ATOM 1745 OG SER A 121 -0.316 3.674 15.318 1.00 1.27 O ATOM 0 H SER A 121 0.652 3.983 13.580 1.00 0.57 H new ATOM 0 HA SER A 121 0.124 1.270 13.143 1.00 0.55 H new ATOM 0 HB2 SER A 121 -1.463 1.961 15.265 1.00 0.65 H new ATOM 0 HB3 SER A 121 0.266 1.697 15.388 1.00 0.65 H new ATOM 0 HG SER A 121 -0.378 3.738 16.294 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.390 0.888 12.862 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.590 0.569 12.096 1.00 0.50 C ATOM 1753 C PHE A 122 -4.787 0.293 12.998 1.00 0.53 C ATOM 1754 O PHE A 122 -4.646 0.084 14.202 1.00 0.68 O ATOM 1755 CB PHE A 122 -3.337 -0.661 11.223 1.00 0.52 C ATOM 1756 CG PHE A 122 -2.084 -0.593 10.393 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -2.089 0.043 9.163 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -0.904 -1.156 10.846 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -0.940 0.115 8.400 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.246 -1.088 10.089 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.230 -0.484 8.863 1.00 0.63 C ATOM 0 H PHE A 122 -2.054 0.128 13.454 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.819 1.437 11.478 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -3.285 -1.541 11.864 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -4.190 -0.801 10.559 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -3.002 0.488 8.796 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -0.884 -1.655 11.804 1.00 0.61 H new ATOM 0 HE1 PHE A 122 -0.948 0.632 7.452 1.00 0.59 H new ATOM 0 HE2 PHE A 122 1.164 -1.514 10.466 1.00 0.66 H new ATOM 0 HZ PHE A 122 1.122 -0.471 8.254 1.00 0.63 H new ATOM 1771 N GLY A 123 -5.962 0.293 12.387 1.00 0.53 N ATOM 1772 CA GLY A 123 -7.188 -0.042 13.083 1.00 0.60 C ATOM 1773 C GLY A 123 -8.114 -0.847 12.194 1.00 0.67 C ATOM 1774 O GLY A 123 -7.736 -1.917 11.709 1.00 1.24 O ATOM 0 H GLY A 123 -6.089 0.524 11.402 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -6.956 -0.612 13.983 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.689 0.871 13.404 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.318 -0.344 11.953 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.248 -1.020 11.044 1.00 0.60 C ATOM 1780 C ASN A 124 -11.052 -0.014 10.222 1.00 0.61 C ATOM 1781 O ASN A 124 -11.968 -0.385 9.490 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.200 -1.944 11.813 1.00 0.81 C ATOM 1783 CG ASN A 124 -12.281 -1.196 12.576 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -12.070 -0.085 13.065 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -13.452 -1.808 12.680 1.00 2.45 N ATOM 0 H ASN A 124 -9.675 0.518 12.366 1.00 0.58 H new ATOM 0 HA ASN A 124 -9.649 -1.624 10.362 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.671 -2.633 11.112 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -10.622 -2.547 12.513 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -14.220 -1.359 13.180 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -13.586 -2.728 12.260 1.00 2.45 H new ATOM 1792 N SER A 125 -10.688 1.254 10.321 1.00 0.51 N ATOM 1793 CA SER A 125 -11.421 2.309 9.638 1.00 0.55 C ATOM 1794 C SER A 125 -10.463 3.126 8.782 1.00 0.49 C ATOM 1795 O SER A 125 -9.244 2.962 8.873 1.00 0.64 O ATOM 1796 CB SER A 125 -12.124 3.204 10.665 1.00 0.73 C ATOM 1797 OG SER A 125 -12.904 4.205 10.035 1.00 1.33 O ATOM 0 H SER A 125 -9.890 1.578 10.867 1.00 0.51 H new ATOM 0 HA SER A 125 -12.178 1.866 8.991 1.00 0.55 H new ATOM 0 HB2 SER A 125 -12.761 2.594 11.305 1.00 0.73 H new ATOM 0 HB3 SER A 125 -11.381 3.673 11.310 1.00 0.73 H new ATOM 0 HG SER A 125 -13.340 4.757 10.717 1.00 1.33 H new ATOM 1803 N ALA A 126 -11.004 3.991 7.943 1.00 0.61 N ATOM 1804 CA ALA A 126 -10.181 4.838 7.108 1.00 0.57 C ATOM 1805 C ALA A 126 -10.752 6.237 7.034 1.00 0.73 C ATOM 1806 O ALA A 126 -11.732 6.475 6.344 1.00 1.25 O ATOM 1807 CB ALA A 126 -10.068 4.254 5.715 1.00 0.62 C ATOM 0 H ALA A 126 -12.008 4.123 7.824 1.00 0.61 H new ATOM 0 HA ALA A 126 -9.188 4.891 7.554 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -9.446 4.902 5.098 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -9.616 3.264 5.771 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -11.061 4.175 5.272 1.00 0.62 H new ATOM 1813 N ASP A 127 -10.121 7.149 7.740 1.00 0.96 N ATOM 1814 CA ASP A 127 -10.476 8.560 7.693 1.00 1.08 C ATOM 1815 C ASP A 127 -9.255 9.358 8.107 1.00 0.90 C ATOM 1816 O ASP A 127 -9.088 9.700 9.279 1.00 1.34 O ATOM 1817 CB ASP A 127 -11.664 8.864 8.615 1.00 1.42 C ATOM 1818 CG ASP A 127 -12.198 10.276 8.452 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -13.080 10.492 7.596 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -11.723 11.186 9.172 1.00 1.40 O ATOM 0 H ASP A 127 -9.344 6.938 8.366 1.00 0.96 H new ATOM 0 HA ASP A 127 -10.782 8.833 6.683 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -12.465 8.153 8.412 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -11.360 8.714 9.651 1.00 1.42 H new ATOM 1825 N GLN A 128 -8.369 9.576 7.135 1.00 0.95 N ATOM 1826 CA GLN A 128 -7.046 10.142 7.391 1.00 0.92 C ATOM 1827 C GLN A 128 -6.302 9.270 8.402 1.00 0.83 C ATOM 1828 O GLN A 128 -5.488 9.757 9.189 1.00 1.02 O ATOM 1829 CB GLN A 128 -7.157 11.584 7.895 1.00 1.02 C ATOM 1830 CG GLN A 128 -7.824 12.523 6.902 1.00 1.17 C ATOM 1831 CD GLN A 128 -7.832 13.961 7.375 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -7.847 14.235 8.576 1.00 1.72 O ATOM 1833 NE2 GLN A 128 -7.821 14.893 6.438 1.00 2.54 N ATOM 0 H GLN A 128 -8.548 9.366 6.153 1.00 0.95 H new ATOM 0 HA GLN A 128 -6.484 10.161 6.457 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -7.722 11.592 8.827 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -6.159 11.959 8.124 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -7.305 12.462 5.945 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -8.849 12.195 6.730 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -7.809 14.626 5.454 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -7.825 15.879 6.699 1.00 2.54 H new ATOM 1842 N ALA A 129 -6.569 7.966 8.346 1.00 0.65 N ATOM 1843 CA ALA A 129 -6.043 7.021 9.319 1.00 0.63 C ATOM 1844 C ALA A 129 -5.774 5.672 8.663 1.00 0.52 C ATOM 1845 O ALA A 129 -6.171 5.437 7.515 1.00 0.47 O ATOM 1846 CB ALA A 129 -7.016 6.862 10.482 1.00 0.69 C ATOM 0 H ALA A 129 -7.154 7.540 7.627 1.00 0.65 H new ATOM 0 HA ALA A 129 -5.101 7.410 9.704 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -6.609 6.152 11.202 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -7.164 7.827 10.967 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -7.972 6.493 10.109 1.00 0.69 H new ATOM 1852 N ALA A 130 -5.112 4.787 9.393 1.00 0.54 N ATOM 1853 CA ALA A 130 -4.733 3.486 8.864 1.00 0.50 C ATOM 1854 C ALA A 130 -5.583 2.371 9.472 1.00 0.47 C ATOM 1855 O ALA A 130 -6.151 2.529 10.553 1.00 0.53 O ATOM 1856 CB ALA A 130 -3.256 3.232 9.123 1.00 0.58 C ATOM 0 H ALA A 130 -4.825 4.948 10.359 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.911 3.489 7.789 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.979 2.256 8.724 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -2.663 4.005 8.635 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -3.066 3.253 10.196 1.00 0.58 H new ATOM 1862 N LYS A 131 -5.669 1.249 8.767 1.00 0.43 N ATOM 1863 CA LYS A 131 -6.421 0.091 9.232 1.00 0.44 C ATOM 1864 C LYS A 131 -5.687 -1.191 8.843 1.00 0.45 C ATOM 1865 O LYS A 131 -4.769 -1.163 8.024 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.848 0.089 8.655 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.969 -0.539 7.273 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.262 0.276 6.210 1.00 0.62 C ATOM 1869 CE LYS A 131 -8.099 1.451 5.757 1.00 0.89 C ATOM 1870 NZ LYS A 131 -9.352 1.001 5.109 1.00 1.43 N ATOM 0 H LYS A 131 -5.221 1.117 7.860 1.00 0.43 H new ATOM 0 HA LYS A 131 -6.501 0.143 10.318 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -8.503 -0.446 9.342 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -8.208 1.117 8.606 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -7.550 -1.545 7.295 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -9.023 -0.638 7.012 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.310 0.636 6.601 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -7.035 -0.360 5.355 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -8.336 2.083 6.613 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -7.525 2.062 5.060 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -9.439 1.448 4.174 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -9.334 -0.033 4.998 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -10.165 1.271 5.699 1.00 1.43 H new ATOM 1884 N SER A 132 -6.077 -2.306 9.432 1.00 0.49 N ATOM 1885 CA SER A 132 -5.432 -3.578 9.145 1.00 0.59 C ATOM 1886 C SER A 132 -6.307 -4.457 8.253 1.00 0.68 C ATOM 1887 O SER A 132 -5.974 -5.613 7.987 1.00 0.97 O ATOM 1888 CB SER A 132 -5.123 -4.295 10.453 1.00 0.69 C ATOM 1889 OG SER A 132 -4.224 -3.545 11.247 1.00 1.43 O ATOM 0 H SER A 132 -6.836 -2.359 10.111 1.00 0.49 H new ATOM 0 HA SER A 132 -4.505 -3.382 8.607 1.00 0.59 H new ATOM 0 HB2 SER A 132 -6.047 -4.463 11.006 1.00 0.69 H new ATOM 0 HB3 SER A 132 -4.695 -5.275 10.241 1.00 0.69 H new ATOM 0 HG SER A 132 -4.723 -3.063 11.939 1.00 1.43 H new ATOM 1895 N THR A 133 -7.425 -3.913 7.800 1.00 0.72 N ATOM 1896 CA THR A 133 -8.337 -4.647 6.941 1.00 0.93 C ATOM 1897 C THR A 133 -8.467 -3.986 5.571 1.00 0.69 C ATOM 1898 O THR A 133 -8.018 -2.858 5.369 1.00 1.11 O ATOM 1899 CB THR A 133 -9.739 -4.736 7.578 1.00 1.84 C ATOM 1900 OG1 THR A 133 -10.214 -3.421 7.901 1.00 2.38 O ATOM 1901 CG2 THR A 133 -9.718 -5.596 8.835 1.00 2.26 C ATOM 0 H THR A 133 -7.723 -2.961 8.015 1.00 0.72 H new ATOM 0 HA THR A 133 -7.921 -5.647 6.819 1.00 0.93 H new ATOM 0 HB THR A 133 -10.410 -5.200 6.855 1.00 1.84 H new ATOM 0 HG1 THR A 133 -10.709 -3.056 7.138 1.00 2.38 H new ATOM 0 HG21 THR A 133 -10.720 -5.641 9.262 1.00 2.26 H new ATOM 0 HG22 THR A 133 -9.387 -6.603 8.581 1.00 2.26 H new ATOM 0 HG23 THR A 133 -9.033 -5.161 9.562 1.00 2.26 H new ATOM 1909 N ALA A 134 -9.046 -4.723 4.634 1.00 0.82 N ATOM 1910 CA ALA A 134 -9.473 -4.181 3.360 1.00 1.50 C ATOM 1911 C ALA A 134 -10.521 -5.111 2.774 1.00 1.30 C ATOM 1912 O ALA A 134 -10.198 -6.041 2.043 1.00 1.86 O ATOM 1913 CB ALA A 134 -8.298 -4.007 2.411 1.00 2.33 C ATOM 0 H ALA A 134 -9.232 -5.720 4.741 1.00 0.82 H new ATOM 0 HA ALA A 134 -9.902 -3.190 3.509 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -8.652 -3.599 1.464 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -7.572 -3.324 2.852 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -7.826 -4.974 2.235 1.00 2.33 H new ATOM 1919 N ILE A 135 -11.772 -4.894 3.151 1.00 0.99 N ATOM 1920 CA ILE A 135 -12.848 -5.810 2.780 1.00 0.96 C ATOM 1921 C ILE A 135 -14.185 -5.334 3.333 1.00 1.21 C ATOM 1922 O ILE A 135 -15.255 -5.780 2.919 1.00 2.09 O ATOM 1923 CB ILE A 135 -12.560 -7.238 3.298 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -13.581 -8.236 2.744 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -12.551 -7.264 4.824 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -13.395 -9.635 3.274 1.00 1.72 C ATOM 0 H ILE A 135 -12.070 -4.096 3.712 1.00 0.99 H new ATOM 0 HA ILE A 135 -12.899 -5.828 1.691 1.00 0.96 H new ATOM 0 HB ILE A 135 -11.573 -7.535 2.945 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -14.586 -7.892 2.990 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -13.508 -8.254 1.657 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -12.347 -8.277 5.169 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -11.778 -6.591 5.195 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -13.522 -6.942 5.199 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -14.150 -10.291 2.842 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -12.403 -9.997 3.005 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -13.497 -9.630 4.359 1.00 1.72 H new ATOM 1938 N THR A 136 -14.099 -4.436 4.275 1.00 1.18 N ATOM 1939 CA THR A 136 -15.266 -3.899 4.949 1.00 1.62 C ATOM 1940 C THR A 136 -16.048 -2.961 4.025 1.00 1.09 C ATOM 1941 O THR A 136 -15.474 -2.061 3.416 1.00 1.00 O ATOM 1942 CB THR A 136 -14.834 -3.130 6.211 1.00 2.43 C ATOM 1943 OG1 THR A 136 -13.702 -3.777 6.809 1.00 3.11 O ATOM 1944 CG2 THR A 136 -15.968 -3.052 7.219 1.00 3.17 C ATOM 0 H THR A 136 -13.215 -4.049 4.604 1.00 1.18 H new ATOM 0 HA THR A 136 -15.911 -4.732 5.228 1.00 1.62 H new ATOM 0 HB THR A 136 -14.566 -2.115 5.917 1.00 2.43 H new ATOM 0 HG1 THR A 136 -12.877 -3.358 6.486 1.00 3.11 H new ATOM 0 HG21 THR A 136 -15.635 -2.504 8.100 1.00 3.17 H new ATOM 0 HG22 THR A 136 -16.818 -2.537 6.771 1.00 3.17 H new ATOM 0 HG23 THR A 136 -16.266 -4.059 7.510 1.00 3.17 H new ATOM 1952 N PRO A 137 -17.366 -3.172 3.882 1.00 1.02 N ATOM 1953 CA PRO A 137 -18.229 -2.277 3.099 1.00 1.06 C ATOM 1954 C PRO A 137 -18.184 -0.836 3.616 1.00 0.97 C ATOM 1955 O PRO A 137 -17.968 0.105 2.852 1.00 1.12 O ATOM 1956 CB PRO A 137 -19.628 -2.872 3.286 1.00 1.46 C ATOM 1957 CG PRO A 137 -19.393 -4.296 3.649 1.00 1.55 C ATOM 1958 CD PRO A 137 -18.114 -4.315 4.434 1.00 1.31 C ATOM 0 HA PRO A 137 -17.917 -2.217 2.056 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -20.178 -2.350 4.069 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -20.218 -2.789 2.373 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -20.220 -4.690 4.240 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -19.313 -4.918 2.758 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -18.295 -4.200 5.503 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -17.574 -5.252 4.301 1.00 1.31 H new ATOM 1966 N ALA A 138 -18.369 -0.675 4.926 1.00 1.04 N ATOM 1967 CA ALA A 138 -18.322 0.644 5.557 1.00 1.16 C ATOM 1968 C ALA A 138 -16.926 1.257 5.458 1.00 0.92 C ATOM 1969 O ALA A 138 -16.757 2.470 5.571 1.00 0.97 O ATOM 1970 CB ALA A 138 -18.751 0.552 7.011 1.00 1.54 C ATOM 0 H ALA A 138 -18.553 -1.443 5.572 1.00 1.04 H new ATOM 0 HA ALA A 138 -19.016 1.293 5.023 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -18.710 1.542 7.466 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -19.770 0.169 7.066 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -18.081 -0.121 7.546 1.00 1.54 H new ATOM 1976 N GLU A 139 -15.934 0.405 5.243 1.00 0.82 N ATOM 1977 CA GLU A 139 -14.555 0.843 5.098 1.00 0.81 C ATOM 1978 C GLU A 139 -14.423 1.747 3.877 1.00 0.71 C ATOM 1979 O GLU A 139 -13.820 2.817 3.948 1.00 0.80 O ATOM 1980 CB GLU A 139 -13.647 -0.375 4.961 1.00 0.97 C ATOM 1981 CG GLU A 139 -12.176 -0.087 5.115 1.00 1.27 C ATOM 1982 CD GLU A 139 -11.335 -1.343 5.015 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -11.665 -2.350 5.683 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -10.331 -1.308 4.285 1.00 2.13 O ATOM 0 H GLU A 139 -16.062 -0.604 5.165 1.00 0.82 H new ATOM 0 HA GLU A 139 -14.257 1.409 5.981 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -13.938 -1.114 5.708 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.814 -0.827 3.983 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -11.863 0.620 4.347 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -12.000 0.391 6.079 1.00 1.27 H new ATOM 1991 N ALA A 140 -15.019 1.316 2.765 1.00 0.71 N ATOM 1992 CA ALA A 140 -15.035 2.106 1.539 1.00 0.90 C ATOM 1993 C ALA A 140 -15.890 3.356 1.705 1.00 0.85 C ATOM 1994 O ALA A 140 -15.726 4.339 0.981 1.00 1.08 O ATOM 1995 CB ALA A 140 -15.556 1.273 0.378 1.00 1.09 C ATOM 0 H ALA A 140 -15.499 0.419 2.691 1.00 0.71 H new ATOM 0 HA ALA A 140 -14.011 2.414 1.326 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -15.562 1.877 -0.529 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -14.911 0.407 0.233 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -16.570 0.938 0.597 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.817 3.308 2.655 1.00 0.71 N ATOM 2002 CA ALA A 141 -17.678 4.444 2.942 1.00 0.82 C ATOM 2003 C ALA A 141 -16.898 5.559 3.622 1.00 0.79 C ATOM 2004 O ALA A 141 -17.075 6.731 3.296 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.852 4.022 3.809 1.00 0.95 C ATOM 0 H ALA A 141 -16.990 2.491 3.240 1.00 0.71 H new ATOM 0 HA ALA A 141 -18.062 4.821 1.994 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -19.484 4.887 4.012 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -19.434 3.262 3.288 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -18.482 3.614 4.750 1.00 0.95 H new ATOM 2011 N THR A 142 -16.032 5.194 4.560 1.00 0.72 N ATOM 2012 CA THR A 142 -15.259 6.181 5.287 1.00 0.83 C ATOM 2013 C THR A 142 -14.026 6.613 4.484 1.00 0.97 C ATOM 2014 O THR A 142 -13.668 7.792 4.475 1.00 1.17 O ATOM 2015 CB THR A 142 -14.824 5.630 6.657 1.00 0.84 C ATOM 2016 OG1 THR A 142 -15.886 4.842 7.217 1.00 0.81 O ATOM 2017 CG2 THR A 142 -14.482 6.761 7.615 1.00 1.00 C ATOM 0 H THR A 142 -15.851 4.227 4.830 1.00 0.72 H new ATOM 0 HA THR A 142 -15.895 7.052 5.443 1.00 0.83 H new ATOM 0 HB THR A 142 -13.936 5.014 6.512 1.00 0.84 H new ATOM 0 HG1 THR A 142 -15.608 4.490 8.088 1.00 0.81 H new ATOM 0 HG21 THR A 142 -14.178 6.345 8.575 1.00 1.00 H new ATOM 0 HG22 THR A 142 -13.666 7.354 7.202 1.00 1.00 H new ATOM 0 HG23 THR A 142 -15.357 7.396 7.755 1.00 1.00 H new ATOM 2025 N ALA A 143 -13.400 5.655 3.795 1.00 0.97 N ATOM 2026 CA ALA A 143 -12.170 5.914 3.044 1.00 1.19 C ATOM 2027 C ALA A 143 -12.377 6.961 1.955 1.00 1.05 C ATOM 2028 O ALA A 143 -11.828 8.064 2.025 1.00 1.28 O ATOM 2029 CB ALA A 143 -11.637 4.624 2.435 1.00 1.42 C ATOM 0 H ALA A 143 -13.727 4.690 3.742 1.00 0.97 H new ATOM 0 HA ALA A 143 -11.437 6.309 3.748 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -10.723 4.834 1.880 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -11.423 3.908 3.229 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -12.383 4.205 1.760 1.00 1.42 H new ATOM 2035 N CYS A 144 -13.157 6.616 0.945 1.00 0.87 N ATOM 2036 CA CYS A 144 -13.444 7.548 -0.128 1.00 0.96 C ATOM 2037 C CYS A 144 -14.697 8.346 0.189 1.00 0.91 C ATOM 2038 O CYS A 144 -15.761 8.145 -0.400 1.00 1.26 O ATOM 2039 CB CYS A 144 -13.563 6.823 -1.467 1.00 1.28 C ATOM 2040 SG CYS A 144 -11.963 6.231 -2.110 1.00 1.45 S ATOM 0 H CYS A 144 -13.600 5.702 0.847 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.612 8.247 -0.213 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -14.238 5.975 -1.354 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -14.014 7.495 -2.197 1.00 1.28 H new ATOM 2045 N LYS A 145 -14.555 9.226 1.166 1.00 1.09 N ATOM 2046 CA LYS A 145 -15.636 10.090 1.601 1.00 1.29 C ATOM 2047 C LYS A 145 -15.418 11.500 1.062 1.00 1.29 C ATOM 2048 O LYS A 145 -16.066 11.922 0.105 1.00 2.01 O ATOM 2049 CB LYS A 145 -15.680 10.112 3.130 1.00 1.65 C ATOM 2050 CG LYS A 145 -16.796 10.960 3.715 1.00 2.35 C ATOM 2051 CD LYS A 145 -16.521 11.277 5.175 1.00 3.18 C ATOM 2052 CE LYS A 145 -16.350 10.012 6.002 1.00 4.04 C ATOM 2053 NZ LYS A 145 -15.750 10.300 7.330 1.00 4.87 N ATOM 0 H LYS A 145 -13.684 9.361 1.680 1.00 1.09 H new ATOM 0 HA LYS A 145 -16.584 9.711 1.219 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -15.789 9.090 3.493 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -14.725 10.483 3.503 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -16.891 11.886 3.148 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -17.746 10.433 3.625 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -15.621 11.887 5.252 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -17.342 11.869 5.580 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -17.319 9.532 6.137 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -15.718 9.307 5.462 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -16.216 9.718 8.055 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -14.734 10.078 7.308 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -15.879 11.306 7.559 1.00 4.87 H new ATOM 2067 N ASN A 146 -14.475 12.203 1.672 1.00 1.10 N ATOM 2068 CA ASN A 146 -14.133 13.562 1.279 1.00 1.21 C ATOM 2069 C ASN A 146 -12.636 13.656 1.023 1.00 1.25 C ATOM 2070 O ASN A 146 -12.038 14.725 1.142 1.00 1.88 O ATOM 2071 CB ASN A 146 -14.554 14.551 2.375 1.00 1.56 C ATOM 2072 CG ASN A 146 -13.851 14.303 3.702 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -14.290 13.480 4.504 1.00 2.76 O ATOM 2074 ND2 ASN A 146 -12.765 15.018 3.950 1.00 2.97 N ATOM 0 H ASN A 146 -13.925 11.847 2.454 1.00 1.10 H new ATOM 0 HA ASN A 146 -14.666 13.818 0.363 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -14.341 15.567 2.042 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -15.632 14.484 2.523 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -12.263 14.895 4.830 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -12.430 15.692 3.261 1.00 2.97 H new ATOM 2081 N THR A 147 -12.056 12.520 0.647 1.00 1.03 N ATOM 2082 CA THR A 147 -10.620 12.390 0.429 1.00 1.07 C ATOM 2083 C THR A 147 -10.082 13.497 -0.475 1.00 1.14 C ATOM 2084 O THR A 147 -9.056 14.098 -0.169 1.00 2.01 O ATOM 2085 CB THR A 147 -10.324 11.014 -0.182 1.00 1.20 C ATOM 2086 OG1 THR A 147 -11.438 10.143 0.075 1.00 1.79 O ATOM 2087 CG2 THR A 147 -9.062 10.413 0.418 1.00 1.52 C ATOM 0 H THR A 147 -12.574 11.657 0.484 1.00 1.03 H new ATOM 0 HA THR A 147 -10.117 12.485 1.391 1.00 1.07 H new ATOM 0 HB THR A 147 -10.171 11.129 -1.255 1.00 1.20 H new ATOM 0 HG1 THR A 147 -11.222 9.548 0.823 1.00 1.79 H new ATOM 0 HG21 THR A 147 -8.874 9.438 -0.032 1.00 1.52 H new ATOM 0 HG22 THR A 147 -8.216 11.072 0.222 1.00 1.52 H new ATOM 0 HG23 THR A 147 -9.190 10.298 1.494 1.00 1.52 H new ATOM 2095 N ASP A 148 -10.787 13.761 -1.575 1.00 0.94 N ATOM 2096 CA ASP A 148 -10.472 14.889 -2.460 1.00 1.01 C ATOM 2097 C ASP A 148 -9.003 14.841 -2.906 1.00 0.89 C ATOM 2098 O ASP A 148 -8.517 13.785 -3.299 1.00 0.88 O ATOM 2099 CB ASP A 148 -10.796 16.214 -1.751 1.00 1.33 C ATOM 2100 CG ASP A 148 -10.848 17.392 -2.702 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -11.859 17.540 -3.418 1.00 2.20 O ATOM 2102 OD2 ASP A 148 -9.879 18.175 -2.739 1.00 2.54 O ATOM 0 H ASP A 148 -11.587 13.206 -1.879 1.00 0.94 H new ATOM 0 HA ASP A 148 -11.087 14.817 -3.357 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -11.755 16.123 -1.241 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -10.044 16.404 -0.985 1.00 1.33 H new ATOM 2107 N SER A 149 -8.304 15.972 -2.835 1.00 0.95 N ATOM 2108 CA SER A 149 -6.916 16.064 -3.275 1.00 1.01 C ATOM 2109 C SER A 149 -6.009 15.162 -2.442 1.00 0.85 C ATOM 2110 O SER A 149 -5.003 14.652 -2.930 1.00 1.07 O ATOM 2111 CB SER A 149 -6.442 17.514 -3.191 1.00 1.27 C ATOM 2112 OG SER A 149 -6.729 18.064 -1.914 1.00 1.53 O ATOM 0 H SER A 149 -8.683 16.847 -2.472 1.00 0.95 H new ATOM 0 HA SER A 149 -6.862 15.726 -4.310 1.00 1.01 H new ATOM 0 HB2 SER A 149 -5.370 17.563 -3.380 1.00 1.27 H new ATOM 0 HB3 SER A 149 -6.930 18.106 -3.965 1.00 1.27 H new ATOM 0 HG SER A 149 -6.416 18.992 -1.880 1.00 1.53 H new ATOM 2118 N THR A 150 -6.386 14.956 -1.191 1.00 0.63 N ATOM 2119 CA THR A 150 -5.643 14.086 -0.298 1.00 0.67 C ATOM 2120 C THR A 150 -6.030 12.619 -0.506 1.00 0.56 C ATOM 2121 O THR A 150 -6.058 11.832 0.439 1.00 0.64 O ATOM 2122 CB THR A 150 -5.871 14.501 1.168 1.00 0.92 C ATOM 2123 OG1 THR A 150 -7.198 15.018 1.334 1.00 1.15 O ATOM 2124 CG2 THR A 150 -4.861 15.554 1.598 1.00 1.26 C ATOM 0 H THR A 150 -7.210 15.384 -0.769 1.00 0.63 H new ATOM 0 HA THR A 150 -4.583 14.190 -0.531 1.00 0.67 H new ATOM 0 HB THR A 150 -5.743 13.617 1.792 1.00 0.92 H new ATOM 0 HG1 THR A 150 -7.834 14.447 0.855 1.00 1.15 H new ATOM 0 HG21 THR A 150 -5.043 15.830 2.637 1.00 1.26 H new ATOM 0 HG22 THR A 150 -3.853 15.152 1.501 1.00 1.26 H new ATOM 0 HG23 THR A 150 -4.963 16.436 0.965 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.281 12.254 -1.762 1.00 0.49 N ATOM 2133 CA ASN A 151 -6.690 10.896 -2.119 1.00 0.47 C ATOM 2134 C ASN A 151 -5.467 9.991 -2.277 1.00 0.44 C ATOM 2135 O ASN A 151 -5.368 9.204 -3.218 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.507 10.921 -3.420 1.00 0.57 C ATOM 2137 CG ASN A 151 -8.432 9.725 -3.558 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -9.577 9.762 -3.110 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -7.952 8.666 -4.183 1.00 0.79 N ATOM 0 H ASN A 151 -6.207 12.888 -2.558 1.00 0.49 H new ATOM 0 HA ASN A 151 -7.311 10.495 -1.318 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.097 11.837 -3.455 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -6.826 10.948 -4.271 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -8.536 7.840 -4.309 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -6.997 8.674 -4.540 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.543 10.099 -1.333 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.328 9.301 -1.358 1.00 0.41 C ATOM 2148 C LYS A 152 -3.304 8.311 -0.206 1.00 0.39 C ATOM 2149 O LYS A 152 -3.580 8.664 0.940 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.075 10.188 -1.336 1.00 0.48 C ATOM 2151 CG LYS A 152 -2.245 11.553 -0.661 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.367 11.462 0.854 1.00 0.85 C ATOM 2153 CE LYS A 152 -2.338 12.848 1.485 1.00 0.82 C ATOM 2154 NZ LYS A 152 -2.561 12.815 2.957 1.00 1.35 N ATOM 0 H LYS A 152 -4.613 10.734 -0.538 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.323 8.739 -2.292 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.277 9.647 -0.827 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -1.747 10.348 -2.363 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -1.393 12.184 -0.913 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -3.133 12.041 -1.062 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -3.296 10.957 1.118 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -1.551 10.859 1.253 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -1.376 13.317 1.278 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -3.102 13.470 1.020 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -2.237 13.709 3.377 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -3.575 12.688 3.152 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -2.027 12.024 3.371 1.00 1.35 H new ATOM 2168 N VAL A 153 -2.997 7.063 -0.517 1.00 0.36 N ATOM 2169 CA VAL A 153 -2.968 6.018 0.489 1.00 0.37 C ATOM 2170 C VAL A 153 -1.793 5.059 0.282 1.00 0.35 C ATOM 2171 O VAL A 153 -1.754 4.287 -0.675 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.308 5.238 0.531 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -4.816 4.929 -0.869 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.164 3.952 1.330 1.00 1.32 C ATOM 0 H VAL A 153 -2.764 6.750 -1.459 1.00 0.36 H new ATOM 0 HA VAL A 153 -2.828 6.509 1.452 1.00 0.37 H new ATOM 0 HB VAL A 153 -5.039 5.877 1.025 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -5.756 4.382 -0.802 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -4.976 5.861 -1.412 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -4.080 4.323 -1.397 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.117 3.424 1.344 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -3.406 3.320 0.868 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -3.866 4.190 2.351 1.00 1.32 H new ATOM 2184 N THR A 154 -0.813 5.143 1.165 1.00 0.35 N ATOM 2185 CA THR A 154 0.240 4.148 1.216 1.00 0.38 C ATOM 2186 C THR A 154 -0.259 2.881 1.913 1.00 0.37 C ATOM 2187 O THR A 154 -0.909 2.965 2.957 1.00 0.47 O ATOM 2188 CB THR A 154 1.447 4.678 2.011 1.00 0.52 C ATOM 2189 OG1 THR A 154 1.211 4.547 3.421 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.696 6.143 1.708 1.00 0.96 C ATOM 0 H THR A 154 -0.726 5.889 1.855 1.00 0.35 H new ATOM 0 HA THR A 154 0.534 3.926 0.190 1.00 0.38 H new ATOM 0 HB THR A 154 2.316 4.090 1.716 1.00 0.52 H new ATOM 0 HG1 THR A 154 1.986 4.886 3.915 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.554 6.493 2.282 1.00 0.96 H new ATOM 0 HG22 THR A 154 1.898 6.265 0.644 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.816 6.725 1.980 1.00 0.96 H new ATOM 2198 N TYR A 155 0.014 1.707 1.354 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.292 0.485 2.079 1.00 0.38 C ATOM 2200 C TYR A 155 0.789 -0.558 1.869 1.00 0.38 C ATOM 2201 O TYR A 155 1.595 -0.451 0.946 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.683 -0.062 1.723 1.00 0.41 C ATOM 2203 CG TYR A 155 -1.890 -0.458 0.279 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -2.300 0.474 -0.666 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -1.706 -1.772 -0.132 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.512 0.111 -1.982 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -1.917 -2.146 -1.448 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.319 -1.199 -2.369 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.530 -1.559 -3.681 1.00 0.79 O ATOM 0 H TYR A 155 0.432 1.578 0.433 1.00 0.35 H new ATOM 0 HA TYR A 155 -0.314 0.733 3.140 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -1.881 -0.932 2.349 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.426 0.693 1.982 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -2.456 1.500 -0.367 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -1.393 -2.514 0.587 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -2.827 0.849 -2.704 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -1.768 -3.172 -1.752 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.350 -2.516 -3.791 1.00 0.79 H new ATOM 2219 N PHE A 156 0.817 -1.543 2.753 1.00 0.41 N ATOM 2220 CA PHE A 156 1.821 -2.590 2.712 1.00 0.44 C ATOM 2221 C PHE A 156 1.174 -3.955 2.567 1.00 0.46 C ATOM 2222 O PHE A 156 0.212 -4.285 3.263 1.00 0.46 O ATOM 2223 CB PHE A 156 2.679 -2.582 3.978 1.00 0.44 C ATOM 2224 CG PHE A 156 3.825 -1.619 3.959 1.00 0.45 C ATOM 2225 CD1 PHE A 156 3.609 -0.280 4.236 1.00 0.53 C ATOM 2226 CD2 PHE A 156 5.105 -2.040 3.641 1.00 0.55 C ATOM 2227 CE1 PHE A 156 4.649 0.623 4.203 1.00 0.61 C ATOM 2228 CE2 PHE A 156 6.149 -1.141 3.605 1.00 0.62 C ATOM 2229 CZ PHE A 156 5.974 0.130 3.963 1.00 0.62 C ATOM 0 H PHE A 156 0.146 -1.638 3.516 1.00 0.41 H new ATOM 0 HA PHE A 156 2.455 -2.394 1.847 1.00 0.44 H new ATOM 0 HB2 PHE A 156 2.041 -2.347 4.830 1.00 0.44 H new ATOM 0 HB3 PHE A 156 3.070 -3.586 4.140 1.00 0.44 H new ATOM 0 HD1 PHE A 156 2.614 0.061 4.481 1.00 0.53 H new ATOM 0 HD2 PHE A 156 5.287 -3.081 3.419 1.00 0.55 H new ATOM 0 HE1 PHE A 156 4.471 1.677 4.354 1.00 0.61 H new ATOM 0 HE2 PHE A 156 7.125 -1.472 3.281 1.00 0.62 H new ATOM 0 HZ PHE A 156 6.825 0.786 4.072 1.00 0.62 H new ATOM 2239 N MET A 157 1.723 -4.764 1.689 1.00 0.59 N ATOM 2240 CA MET A 157 1.224 -6.104 1.485 1.00 0.68 C ATOM 2241 C MET A 157 2.390 -7.046 1.239 1.00 0.82 C ATOM 2242 O MET A 157 3.304 -6.728 0.481 1.00 1.12 O ATOM 2243 CB MET A 157 0.202 -6.140 0.338 1.00 0.83 C ATOM 2244 CG MET A 157 0.759 -5.752 -1.024 1.00 1.47 C ATOM 2245 SD MET A 157 -0.530 -5.607 -2.282 1.00 2.50 S ATOM 2246 CE MET A 157 -1.301 -7.219 -2.179 1.00 3.27 C ATOM 0 H MET A 157 2.519 -4.515 1.102 1.00 0.59 H new ATOM 0 HA MET A 157 0.700 -6.436 2.381 1.00 0.68 H new ATOM 0 HB2 MET A 157 -0.214 -7.145 0.272 1.00 0.83 H new ATOM 0 HB3 MET A 157 -0.622 -5.469 0.583 1.00 0.83 H new ATOM 0 HG2 MET A 157 1.288 -4.803 -0.940 1.00 1.47 H new ATOM 0 HG3 MET A 157 1.489 -6.497 -1.340 1.00 1.47 H new ATOM 0 HE1 MET A 157 -1.479 -7.602 -3.184 1.00 3.27 H new ATOM 0 HE2 MET A 157 -0.644 -7.903 -1.641 1.00 3.27 H new ATOM 0 HE3 MET A 157 -2.250 -7.135 -1.649 1.00 3.27 H new ATOM 2256 N LYS A 158 2.381 -8.169 1.939 1.00 0.75 N ATOM 2257 CA LYS A 158 3.480 -9.112 1.868 1.00 0.96 C ATOM 2258 C LYS A 158 3.358 -9.993 0.630 1.00 1.43 C ATOM 2259 O LYS A 158 4.007 -9.670 -0.388 1.00 1.89 O ATOM 2260 CB LYS A 158 3.512 -9.979 3.126 1.00 0.95 C ATOM 2261 CG LYS A 158 4.793 -10.772 3.263 1.00 1.11 C ATOM 2262 CD LYS A 158 4.793 -11.659 4.496 1.00 1.49 C ATOM 2263 CE LYS A 158 3.722 -12.733 4.418 1.00 1.88 C ATOM 2264 NZ LYS A 158 3.853 -13.718 5.522 1.00 2.24 N ATOM 2265 OXT LYS A 158 2.609 -10.993 0.689 1.00 2.11 O ATOM 0 H LYS A 158 1.623 -8.448 2.562 1.00 0.75 H new ATOM 0 HA LYS A 158 4.410 -8.548 1.800 1.00 0.96 H new ATOM 0 HB2 LYS A 158 3.389 -9.343 4.003 1.00 0.95 H new ATOM 0 HB3 LYS A 158 2.666 -10.666 3.109 1.00 0.95 H new ATOM 0 HG2 LYS A 158 4.933 -11.388 2.375 1.00 1.11 H new ATOM 0 HG3 LYS A 158 5.639 -10.086 3.312 1.00 1.11 H new ATOM 0 HD2 LYS A 158 5.771 -12.128 4.606 1.00 1.49 H new ATOM 0 HD3 LYS A 158 4.631 -11.048 5.384 1.00 1.49 H new ATOM 0 HE2 LYS A 158 2.737 -12.269 4.459 1.00 1.88 H new ATOM 0 HE3 LYS A 158 3.792 -13.248 3.460 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 3.106 -14.436 5.437 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 4.784 -14.179 5.468 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 3.761 -13.230 6.436 1.00 2.24 H new TER 2279 LYS A 158