USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1022 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 28 TYR OH : rot -114:sc= 0.878 USER MOD Set 1.2: A 47 SER OG : rot -78:sc= 1.95 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.111 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -123:sc= -2.31 (180deg=-6.73!) USER MOD Single : A 30 THR OG1 : rot -128:sc= 0.0667 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.025) USER MOD Single : A 34 THR OG1 : rot -152:sc= 0.579 USER MOD Single : A 35 ASN : amide:sc= -4.67! C(o=-4.7!,f=-8.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 76:sc= 0.147 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 24:sc= 1.18 USER MOD Single : A 48 SER OG : rot 38:sc= 0.656 USER MOD Single : A 52 THR OG1 : rot 107:sc= -0.185! USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 132:sc= -0.56 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.0061) USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= -1.24 (180deg=-2.22) USER MOD Single : A 65 ASN : amide:sc= 0.768 K(o=0.77,f=-0.0059) USER MOD Single : A 67 TYR OH : rot -33:sc= -0.244! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.736 K(o=-0.74,f=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.209) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.646 X(o=-0.65,f=-0.29) USER MOD Single : A 100 MET CE :methyl -113:sc= -2.58! (180deg=-6.34!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 130:sc= -1.32 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -125:sc= -0.796 (180deg=-4.08!) USER MOD Single : A 112 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 113 MET CE :methyl 149:sc= -1.72 (180deg=-3.07) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.31 K(o=-4.3,f=0.052) USER MOD Single : A 122 THR OG1 : rot -18:sc= -0.451 USER MOD Single : A 123 THR OG1 : rot -47:sc= 1.2 USER MOD Single : A 127 LYS NZ :NH3+ 164:sc= -0.0158 (180deg=-0.149) USER MOD Single : A 132 ASN : amide:sc= -0.162 K(o=-0.16,f=-1) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 20:sc= 1.66 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 0.502 -1.939 0.776 1.00 12.31 N ATOM 2 CA SER A 12 0.921 -0.721 1.460 1.00 21.12 C ATOM 3 C SER A 12 2.442 -0.598 1.467 1.00 53.22 C ATOM 4 O SER A 12 3.002 0.342 0.905 1.00 40.31 O ATOM 5 CB SER A 12 0.391 -0.709 2.895 1.00 12.32 C ATOM 6 OG SER A 12 1.162 0.150 3.717 1.00 44.44 O ATOM 0 HA SER A 12 0.507 0.131 0.920 1.00 21.12 H new ATOM 0 HB2 SER A 12 -0.649 -0.384 2.899 1.00 12.32 H new ATOM 0 HB3 SER A 12 0.410 -1.720 3.301 1.00 12.32 H new ATOM 0 HG SER A 12 0.802 0.141 4.628 1.00 44.44 H new ATOM 12 N GLY A 13 3.104 -1.556 2.108 1.00 2.11 N ATOM 13 CA GLY A 13 4.554 -1.537 2.177 1.00 73.01 C ATOM 14 C GLY A 13 5.156 -2.926 2.102 1.00 32.13 C ATOM 15 O GLY A 13 6.181 -3.201 2.728 1.00 74.22 O ATOM 0 H GLY A 13 2.663 -2.345 2.581 1.00 2.11 H new ATOM 0 HA2 GLY A 13 4.946 -0.930 1.361 1.00 73.01 H new ATOM 0 HA3 GLY A 13 4.864 -1.060 3.106 1.00 73.01 H new ATOM 19 N LEU A 14 4.518 -3.805 1.337 1.00 22.10 N ATOM 20 CA LEU A 14 4.996 -5.175 1.184 1.00 42.21 C ATOM 21 C LEU A 14 4.937 -5.612 -0.276 1.00 61.22 C ATOM 22 O LEU A 14 4.429 -4.888 -1.132 1.00 41.22 O ATOM 23 CB LEU A 14 4.165 -6.125 2.047 1.00 32.50 C ATOM 24 CG LEU A 14 4.888 -7.370 2.562 1.00 21.15 C ATOM 25 CD1 LEU A 14 4.790 -7.456 4.078 1.00 54.43 C ATOM 26 CD2 LEU A 14 4.317 -8.624 1.917 1.00 31.54 C ATOM 0 H LEU A 14 3.669 -3.594 0.813 1.00 22.10 H new ATOM 0 HA LEU A 14 6.035 -5.211 1.513 1.00 42.21 H new ATOM 0 HB2 LEU A 14 3.787 -5.568 2.904 1.00 32.50 H new ATOM 0 HB3 LEU A 14 3.299 -6.446 1.468 1.00 32.50 H new ATOM 0 HG LEU A 14 5.941 -7.293 2.290 1.00 21.15 H new ATOM 0 HD11 LEU A 14 5.310 -8.348 4.426 1.00 54.43 H new ATOM 0 HD12 LEU A 14 5.248 -6.572 4.523 1.00 54.43 H new ATOM 0 HD13 LEU A 14 3.742 -7.509 4.372 1.00 54.43 H new ATOM 0 HD21 LEU A 14 4.844 -9.500 2.296 1.00 31.54 H new ATOM 0 HD22 LEU A 14 3.257 -8.706 2.157 1.00 31.54 H new ATOM 0 HD23 LEU A 14 4.441 -8.565 0.836 1.00 31.54 H new ATOM 38 N VAL A 15 5.458 -6.803 -0.553 1.00 62.34 N ATOM 39 CA VAL A 15 5.462 -7.339 -1.909 1.00 71.33 C ATOM 40 C VAL A 15 4.297 -8.299 -2.124 1.00 54.52 C ATOM 41 O VAL A 15 4.036 -9.189 -1.315 1.00 12.01 O ATOM 42 CB VAL A 15 6.780 -8.073 -2.219 1.00 43.02 C ATOM 43 CG1 VAL A 15 6.782 -9.458 -1.590 1.00 14.21 C ATOM 44 CG2 VAL A 15 7.000 -8.161 -3.722 1.00 0.01 C ATOM 0 H VAL A 15 5.883 -7.415 0.144 1.00 62.34 H new ATOM 0 HA VAL A 15 5.360 -6.490 -2.585 1.00 71.33 H new ATOM 0 HB VAL A 15 7.603 -7.503 -1.787 1.00 43.02 H new ATOM 0 HG11 VAL A 15 7.721 -9.961 -1.820 1.00 14.21 H new ATOM 0 HG12 VAL A 15 6.675 -9.367 -0.509 1.00 14.21 H new ATOM 0 HG13 VAL A 15 5.952 -10.040 -1.989 1.00 14.21 H new ATOM 0 HG21 VAL A 15 7.936 -8.683 -3.923 1.00 0.01 H new ATOM 0 HG22 VAL A 15 6.175 -8.707 -4.179 1.00 0.01 H new ATOM 0 HG23 VAL A 15 7.047 -7.156 -4.142 1.00 0.01 H new ATOM 54 N PRO A 16 3.578 -8.115 -3.241 1.00 55.05 N ATOM 55 CA PRO A 16 2.428 -8.955 -3.590 1.00 61.31 C ATOM 56 C PRO A 16 2.841 -10.373 -3.971 1.00 52.13 C ATOM 57 O PRO A 16 1.994 -11.245 -4.167 1.00 13.41 O ATOM 58 CB PRO A 16 1.814 -8.235 -4.793 1.00 62.23 C ATOM 59 CG PRO A 16 2.944 -7.475 -5.396 1.00 42.45 C ATOM 60 CD PRO A 16 3.832 -7.073 -4.251 1.00 34.32 C ATOM 0 HA PRO A 16 1.741 -9.074 -2.752 1.00 61.31 H new ATOM 0 HB2 PRO A 16 1.389 -8.944 -5.504 1.00 62.23 H new ATOM 0 HB3 PRO A 16 1.008 -7.569 -4.486 1.00 62.23 H new ATOM 0 HG2 PRO A 16 3.488 -8.089 -6.114 1.00 42.45 H new ATOM 0 HG3 PRO A 16 2.582 -6.599 -5.935 1.00 42.45 H new ATOM 0 HD2 PRO A 16 4.881 -7.046 -4.546 1.00 34.32 H new ATOM 0 HD3 PRO A 16 3.581 -6.081 -3.877 1.00 34.32 H new ATOM 68 N ARG A 17 4.147 -10.596 -4.075 1.00 33.42 N ATOM 69 CA ARG A 17 4.671 -11.909 -4.433 1.00 41.45 C ATOM 70 C ARG A 17 4.185 -12.974 -3.456 1.00 34.43 C ATOM 71 O ARG A 17 4.087 -14.151 -3.802 1.00 55.31 O ATOM 72 CB ARG A 17 6.201 -11.882 -4.456 1.00 15.45 C ATOM 73 CG ARG A 17 6.786 -11.660 -5.841 1.00 12.44 C ATOM 74 CD ARG A 17 6.825 -10.182 -6.199 1.00 33.23 C ATOM 75 NE ARG A 17 6.961 -9.971 -7.637 1.00 62.13 N ATOM 76 CZ ARG A 17 5.949 -10.060 -8.493 1.00 33.05 C ATOM 77 NH1 ARG A 17 4.732 -10.354 -8.056 1.00 12.00 N ATOM 78 NH2 ARG A 17 6.152 -9.854 -9.787 1.00 63.25 N ATOM 0 H ARG A 17 4.861 -9.885 -3.917 1.00 33.42 H new ATOM 0 HA ARG A 17 4.304 -12.160 -5.428 1.00 41.45 H new ATOM 0 HB2 ARG A 17 6.552 -11.092 -3.792 1.00 15.45 H new ATOM 0 HB3 ARG A 17 6.578 -12.824 -4.058 1.00 15.45 H new ATOM 0 HG2 ARG A 17 7.794 -12.072 -5.882 1.00 12.44 H new ATOM 0 HG3 ARG A 17 6.192 -12.199 -6.579 1.00 12.44 H new ATOM 0 HD2 ARG A 17 5.913 -9.699 -5.846 1.00 33.23 H new ATOM 0 HD3 ARG A 17 7.658 -9.706 -5.682 1.00 33.23 H new ATOM 0 HE ARG A 17 7.884 -9.743 -8.005 1.00 62.13 H new ATOM 0 HH11 ARG A 17 4.572 -10.512 -7.061 1.00 12.00 H new ATOM 0 HH12 ARG A 17 3.956 -10.422 -8.715 1.00 12.00 H new ATOM 0 HH21 ARG A 17 7.087 -9.627 -10.127 1.00 63.25 H new ATOM 0 HH22 ARG A 17 5.374 -9.923 -10.443 1.00 63.25 H new ATOM 92 N GLY A 18 3.882 -12.553 -2.231 1.00 73.15 N ATOM 93 CA GLY A 18 3.410 -13.483 -1.222 1.00 71.45 C ATOM 94 C GLY A 18 4.501 -13.887 -0.250 1.00 52.43 C ATOM 95 O GLY A 18 4.404 -13.620 0.948 1.00 72.05 O ATOM 0 H GLY A 18 3.955 -11.584 -1.920 1.00 73.15 H new ATOM 0 HA2 GLY A 18 2.586 -13.029 -0.671 1.00 71.45 H new ATOM 0 HA3 GLY A 18 3.014 -14.374 -1.710 1.00 71.45 H new ATOM 99 N SER A 19 5.542 -14.532 -0.766 1.00 32.50 N ATOM 100 CA SER A 19 6.653 -14.978 0.066 1.00 63.40 C ATOM 101 C SER A 19 7.237 -13.815 0.862 1.00 42.13 C ATOM 102 O SER A 19 7.611 -12.786 0.296 1.00 34.55 O ATOM 103 CB SER A 19 7.742 -15.616 -0.799 1.00 73.43 C ATOM 104 OG SER A 19 7.236 -15.975 -2.073 1.00 54.35 O ATOM 0 H SER A 19 5.639 -14.757 -1.756 1.00 32.50 H new ATOM 0 HA SER A 19 6.274 -15.721 0.767 1.00 63.40 H new ATOM 0 HB2 SER A 19 8.572 -14.919 -0.917 1.00 73.43 H new ATOM 0 HB3 SER A 19 8.137 -16.500 -0.299 1.00 73.43 H new ATOM 0 HG SER A 19 7.951 -16.379 -2.607 1.00 54.35 H new ATOM 110 N HIS A 20 7.313 -13.985 2.178 1.00 71.22 N ATOM 111 CA HIS A 20 7.852 -12.950 3.053 1.00 73.11 C ATOM 112 C HIS A 20 9.376 -12.924 2.989 1.00 51.12 C ATOM 113 O HIS A 20 10.052 -13.118 3.998 1.00 4.24 O ATOM 114 CB HIS A 20 7.394 -13.181 4.493 1.00 22.33 C ATOM 115 CG HIS A 20 5.909 -13.314 4.636 1.00 22.30 C ATOM 116 ND1 HIS A 20 5.079 -12.243 4.890 1.00 75.35 N ATOM 117 CD2 HIS A 20 5.106 -14.401 4.558 1.00 61.15 C ATOM 118 CE1 HIS A 20 3.829 -12.666 4.963 1.00 50.35 C ATOM 119 NE2 HIS A 20 3.818 -13.971 4.764 1.00 23.51 N ATOM 0 H HIS A 20 7.008 -14.830 2.662 1.00 71.22 H new ATOM 0 HA HIS A 20 7.475 -11.986 2.710 1.00 73.11 H new ATOM 0 HB2 HIS A 20 7.870 -14.084 4.876 1.00 22.33 H new ATOM 0 HB3 HIS A 20 7.737 -12.352 5.112 1.00 22.33 H new ATOM 0 HD2 HIS A 20 5.420 -15.417 4.369 1.00 61.15 H new ATOM 0 HE1 HIS A 20 2.963 -12.049 5.153 1.00 50.35 H new ATOM 0 HE2 HIS A 20 2.988 -14.564 4.763 1.00 23.51 H new ATOM 127 N MET A 21 9.909 -12.684 1.795 1.00 1.54 N ATOM 128 CA MET A 21 11.353 -12.632 1.601 1.00 44.34 C ATOM 129 C MET A 21 11.787 -11.254 1.111 1.00 52.32 C ATOM 130 O MET A 21 12.977 -10.939 1.084 1.00 72.41 O ATOM 131 CB MET A 21 11.793 -13.703 0.601 1.00 44.23 C ATOM 132 CG MET A 21 11.906 -15.092 1.208 1.00 13.32 C ATOM 133 SD MET A 21 10.302 -15.889 1.420 1.00 4.11 S ATOM 134 CE MET A 21 10.374 -16.338 3.153 1.00 51.24 C ATOM 0 H MET A 21 9.363 -12.523 0.949 1.00 1.54 H new ATOM 0 HA MET A 21 11.831 -12.823 2.562 1.00 44.34 H new ATOM 0 HB2 MET A 21 11.081 -13.733 -0.224 1.00 44.23 H new ATOM 0 HB3 MET A 21 12.758 -13.420 0.179 1.00 44.23 H new ATOM 0 HG2 MET A 21 12.535 -15.713 0.570 1.00 13.32 H new ATOM 0 HG3 MET A 21 12.404 -15.022 2.175 1.00 13.32 H new ATOM 0 HE1 MET A 21 10.227 -17.413 3.257 1.00 51.24 H new ATOM 0 HE2 MET A 21 11.347 -16.064 3.560 1.00 51.24 H new ATOM 0 HE3 MET A 21 9.592 -15.810 3.698 1.00 51.24 H new ATOM 144 N VAL A 22 10.814 -10.435 0.724 1.00 52.11 N ATOM 145 CA VAL A 22 11.095 -9.090 0.236 1.00 60.12 C ATOM 146 C VAL A 22 9.992 -8.118 0.638 1.00 50.42 C ATOM 147 O VAL A 22 8.858 -8.521 0.895 1.00 73.52 O ATOM 148 CB VAL A 22 11.249 -9.070 -1.297 1.00 14.13 C ATOM 149 CG1 VAL A 22 11.830 -7.742 -1.758 1.00 22.22 C ATOM 150 CG2 VAL A 22 12.116 -10.231 -1.760 1.00 54.21 C ATOM 0 H VAL A 22 9.824 -10.680 0.739 1.00 52.11 H new ATOM 0 HA VAL A 22 12.034 -8.777 0.692 1.00 60.12 H new ATOM 0 HB VAL A 22 10.262 -9.182 -1.746 1.00 14.13 H new ATOM 0 HG11 VAL A 22 11.932 -7.746 -2.843 1.00 22.22 H new ATOM 0 HG12 VAL A 22 11.166 -6.931 -1.459 1.00 22.22 H new ATOM 0 HG13 VAL A 22 12.809 -7.596 -1.303 1.00 22.22 H new ATOM 0 HG21 VAL A 22 12.214 -10.202 -2.845 1.00 54.21 H new ATOM 0 HG22 VAL A 22 13.103 -10.153 -1.304 1.00 54.21 H new ATOM 0 HG23 VAL A 22 11.653 -11.172 -1.463 1.00 54.21 H new ATOM 160 N ARG A 23 10.332 -6.834 0.690 1.00 63.02 N ATOM 161 CA ARG A 23 9.371 -5.803 1.061 1.00 32.03 C ATOM 162 C ARG A 23 9.811 -4.437 0.543 1.00 74.13 C ATOM 163 O ARG A 23 11.000 -4.119 0.535 1.00 52.42 O ATOM 164 CB ARG A 23 9.205 -5.754 2.581 1.00 21.23 C ATOM 165 CG ARG A 23 10.391 -5.136 3.304 1.00 61.23 C ATOM 166 CD ARG A 23 10.112 -4.967 4.789 1.00 41.31 C ATOM 167 NE ARG A 23 10.582 -6.109 5.568 1.00 60.10 N ATOM 168 CZ ARG A 23 10.410 -6.225 6.880 1.00 10.41 C ATOM 169 NH1 ARG A 23 9.782 -5.272 7.556 1.00 31.50 N ATOM 170 NH2 ARG A 23 10.866 -7.294 7.519 1.00 63.54 N ATOM 0 H ARG A 23 11.266 -6.483 0.480 1.00 63.02 H new ATOM 0 HA ARG A 23 8.413 -6.054 0.605 1.00 32.03 H new ATOM 0 HB2 ARG A 23 8.307 -5.185 2.822 1.00 21.23 H new ATOM 0 HB3 ARG A 23 9.050 -6.766 2.954 1.00 21.23 H new ATOM 0 HG2 ARG A 23 11.270 -5.766 3.167 1.00 61.23 H new ATOM 0 HG3 ARG A 23 10.622 -4.166 2.863 1.00 61.23 H new ATOM 0 HD2 ARG A 23 10.597 -4.059 5.148 1.00 41.31 H new ATOM 0 HD3 ARG A 23 9.041 -4.839 4.944 1.00 41.31 H new ATOM 0 HE ARG A 23 11.069 -6.859 5.078 1.00 60.10 H new ATOM 0 HH11 ARG A 23 9.430 -4.448 7.068 1.00 31.50 H new ATOM 0 HH12 ARG A 23 9.651 -5.363 8.563 1.00 31.50 H new ATOM 0 HH21 ARG A 23 11.350 -8.029 7.003 1.00 63.54 H new ATOM 0 HH22 ARG A 23 10.733 -7.381 8.527 1.00 63.54 H new ATOM 184 N ARG A 24 8.844 -3.635 0.110 1.00 14.30 N ATOM 185 CA ARG A 24 9.131 -2.304 -0.412 1.00 21.11 C ATOM 186 C ARG A 24 9.549 -1.359 0.710 1.00 5.34 C ATOM 187 O ARG A 24 8.748 -0.558 1.192 1.00 24.41 O ATOM 188 CB ARG A 24 7.907 -1.742 -1.137 1.00 50.10 C ATOM 189 CG ARG A 24 7.733 -2.282 -2.547 1.00 32.51 C ATOM 190 CD ARG A 24 6.694 -3.392 -2.594 1.00 14.32 C ATOM 191 NE ARG A 24 6.006 -3.444 -3.881 1.00 43.23 N ATOM 192 CZ ARG A 24 5.111 -2.544 -4.273 1.00 60.24 C ATOM 193 NH1 ARG A 24 4.797 -1.528 -3.482 1.00 32.13 N ATOM 194 NH2 ARG A 24 4.528 -2.660 -5.460 1.00 4.31 N ATOM 0 H ARG A 24 7.855 -3.884 0.110 1.00 14.30 H new ATOM 0 HA ARG A 24 9.956 -2.389 -1.119 1.00 21.11 H new ATOM 0 HB2 ARG A 24 7.014 -1.972 -0.556 1.00 50.10 H new ATOM 0 HB3 ARG A 24 7.988 -0.656 -1.180 1.00 50.10 H new ATOM 0 HG2 ARG A 24 7.433 -1.473 -3.213 1.00 32.51 H new ATOM 0 HG3 ARG A 24 8.687 -2.660 -2.914 1.00 32.51 H new ATOM 0 HD2 ARG A 24 7.178 -4.350 -2.403 1.00 14.32 H new ATOM 0 HD3 ARG A 24 5.964 -3.239 -1.799 1.00 14.32 H new ATOM 0 HE ARG A 24 6.225 -4.214 -4.514 1.00 43.23 H new ATOM 0 HH11 ARG A 24 5.243 -1.435 -2.569 1.00 32.13 H new ATOM 0 HH12 ARG A 24 4.109 -0.839 -3.786 1.00 32.13 H new ATOM 0 HH21 ARG A 24 4.767 -3.441 -6.072 1.00 4.31 H new ATOM 0 HH22 ARG A 24 3.841 -1.969 -5.760 1.00 4.31 H new ATOM 208 N ALA A 25 10.809 -1.458 1.122 1.00 43.12 N ATOM 209 CA ALA A 25 11.334 -0.611 2.186 1.00 64.13 C ATOM 210 C ALA A 25 12.137 0.553 1.615 1.00 1.11 C ATOM 211 O ALA A 25 12.117 0.801 0.410 1.00 52.55 O ATOM 212 CB ALA A 25 12.193 -1.431 3.137 1.00 2.23 C ATOM 0 H ALA A 25 11.485 -2.116 0.735 1.00 43.12 H new ATOM 0 HA ALA A 25 10.490 -0.199 2.739 1.00 64.13 H new ATOM 0 HB1 ALA A 25 12.579 -0.786 3.927 1.00 2.23 H new ATOM 0 HB2 ALA A 25 11.591 -2.225 3.579 1.00 2.23 H new ATOM 0 HB3 ALA A 25 13.026 -1.870 2.588 1.00 2.23 H new ATOM 218 N ARG A 26 12.842 1.264 2.489 1.00 65.12 N ATOM 219 CA ARG A 26 13.651 2.403 2.071 1.00 15.45 C ATOM 220 C ARG A 26 15.080 1.971 1.757 1.00 34.43 C ATOM 221 O ARG A 26 15.528 0.909 2.192 1.00 2.42 O ATOM 222 CB ARG A 26 13.659 3.476 3.162 1.00 43.30 C ATOM 223 CG ARG A 26 14.009 4.864 2.649 1.00 73.43 C ATOM 224 CD ARG A 26 13.735 5.931 3.697 1.00 24.31 C ATOM 225 NE ARG A 26 13.643 7.264 3.109 1.00 4.54 N ATOM 226 CZ ARG A 26 13.386 8.361 3.813 1.00 10.40 C ATOM 227 NH1 ARG A 26 13.196 8.283 5.123 1.00 44.51 N ATOM 228 NH2 ARG A 26 13.318 9.540 3.206 1.00 22.53 N ATOM 0 H ARG A 26 12.869 1.072 3.490 1.00 65.12 H new ATOM 0 HA ARG A 26 13.209 2.817 1.165 1.00 15.45 H new ATOM 0 HB2 ARG A 26 12.677 3.509 3.634 1.00 43.30 H new ATOM 0 HB3 ARG A 26 14.374 3.192 3.934 1.00 43.30 H new ATOM 0 HG2 ARG A 26 15.061 4.893 2.365 1.00 73.43 H new ATOM 0 HG3 ARG A 26 13.430 5.078 1.751 1.00 73.43 H new ATOM 0 HD2 ARG A 26 12.805 5.699 4.216 1.00 24.31 H new ATOM 0 HD3 ARG A 26 14.529 5.918 4.444 1.00 24.31 H new ATOM 0 HE ARG A 26 13.784 7.358 2.103 1.00 4.54 H new ATOM 0 HH11 ARG A 26 13.247 7.379 5.593 1.00 44.51 H new ATOM 0 HH12 ARG A 26 12.999 9.127 5.661 1.00 44.51 H new ATOM 0 HH21 ARG A 26 13.463 9.604 2.198 1.00 22.53 H new ATOM 0 HH22 ARG A 26 13.121 10.382 3.747 1.00 22.53 H new ATOM 242 N CYS A 27 15.790 2.799 0.999 1.00 70.20 N ATOM 243 CA CYS A 27 17.168 2.502 0.625 1.00 14.50 C ATOM 244 C CYS A 27 18.030 3.760 0.687 1.00 63.33 C ATOM 245 O CYS A 27 17.570 4.857 0.371 1.00 0.35 O ATOM 246 CB CYS A 27 17.219 1.904 -0.782 1.00 53.11 C ATOM 247 SG CYS A 27 16.918 0.108 -0.838 1.00 13.33 S ATOM 0 H CYS A 27 15.434 3.681 0.631 1.00 70.20 H new ATOM 0 HA CYS A 27 17.563 1.776 1.335 1.00 14.50 H new ATOM 0 HB2 CYS A 27 16.479 2.405 -1.405 1.00 53.11 H new ATOM 0 HB3 CYS A 27 18.196 2.112 -1.218 1.00 53.11 H new ATOM 252 N TYR A 28 19.283 3.591 1.094 1.00 22.03 N ATOM 253 CA TYR A 28 20.210 4.712 1.200 1.00 62.45 C ATOM 254 C TYR A 28 21.633 4.276 0.862 1.00 74.53 C ATOM 255 O TYR A 28 22.022 3.125 1.064 1.00 15.13 O ATOM 256 CB TYR A 28 20.168 5.305 2.609 1.00 51.03 C ATOM 257 CG TYR A 28 20.822 4.430 3.654 1.00 35.11 C ATOM 258 CD1 TYR A 28 22.191 4.490 3.881 1.00 32.34 C ATOM 259 CD2 TYR A 28 20.069 3.544 4.415 1.00 22.35 C ATOM 260 CE1 TYR A 28 22.792 3.691 4.835 1.00 41.30 C ATOM 261 CE2 TYR A 28 20.662 2.743 5.372 1.00 31.43 C ATOM 262 CZ TYR A 28 22.024 2.820 5.578 1.00 74.30 C ATOM 263 OH TYR A 28 22.619 2.024 6.530 1.00 74.22 O ATOM 0 H TYR A 28 19.680 2.689 1.356 1.00 22.03 H new ATOM 0 HA TYR A 28 19.902 5.474 0.483 1.00 62.45 H new ATOM 0 HB2 TYR A 28 20.662 6.277 2.600 1.00 51.03 H new ATOM 0 HB3 TYR A 28 19.129 5.478 2.890 1.00 51.03 H new ATOM 0 HD1 TYR A 28 22.796 5.172 3.302 1.00 32.34 H new ATOM 0 HD2 TYR A 28 19.003 3.480 4.256 1.00 22.35 H new ATOM 0 HE1 TYR A 28 23.858 3.749 4.998 1.00 41.30 H new ATOM 0 HE2 TYR A 28 20.062 2.060 5.956 1.00 31.43 H new ATOM 0 HH TYR A 28 22.541 1.084 6.265 1.00 74.22 H new ATOM 273 N PRO A 29 22.429 5.217 0.334 1.00 22.10 N ATOM 274 CA PRO A 29 23.822 4.955 -0.043 1.00 14.45 C ATOM 275 C PRO A 29 24.719 4.737 1.171 1.00 60.02 C ATOM 276 O PRO A 29 24.938 5.650 1.968 1.00 55.34 O ATOM 277 CB PRO A 29 24.232 6.227 -0.789 1.00 51.21 C ATOM 278 CG PRO A 29 23.336 7.288 -0.250 1.00 40.53 C ATOM 279 CD PRO A 29 22.032 6.609 0.065 1.00 41.11 C ATOM 0 HA PRO A 29 23.920 4.046 -0.636 1.00 14.45 H new ATOM 0 HB2 PRO A 29 25.281 6.468 -0.614 1.00 51.21 H new ATOM 0 HB3 PRO A 29 24.107 6.112 -1.866 1.00 51.21 H new ATOM 0 HG2 PRO A 29 23.764 7.744 0.643 1.00 40.53 H new ATOM 0 HG3 PRO A 29 23.194 8.086 -0.979 1.00 40.53 H new ATOM 0 HD2 PRO A 29 21.542 7.061 0.927 1.00 41.11 H new ATOM 0 HD3 PRO A 29 21.333 6.674 -0.769 1.00 41.11 H new ATOM 287 N THR A 30 25.238 3.520 1.306 1.00 0.51 N ATOM 288 CA THR A 30 26.111 3.182 2.423 1.00 63.04 C ATOM 289 C THR A 30 27.467 3.865 2.287 1.00 64.13 C ATOM 290 O THR A 30 27.765 4.822 3.001 1.00 42.54 O ATOM 291 CB THR A 30 26.324 1.660 2.528 1.00 0.01 C ATOM 292 OG1 THR A 30 25.405 0.976 1.669 1.00 43.24 O ATOM 293 CG2 THR A 30 26.135 1.185 3.961 1.00 42.30 C ATOM 0 H THR A 30 25.069 2.753 0.656 1.00 0.51 H new ATOM 0 HA THR A 30 25.618 3.536 3.328 1.00 63.04 H new ATOM 0 HB THR A 30 27.345 1.436 2.219 1.00 0.01 H new ATOM 0 HG1 THR A 30 24.932 0.285 2.179 1.00 43.24 H new ATOM 0 HG21 THR A 30 26.290 0.107 4.011 1.00 42.30 H new ATOM 0 HG22 THR A 30 26.855 1.686 4.608 1.00 42.30 H new ATOM 0 HG23 THR A 30 25.124 1.421 4.292 1.00 42.30 H new ATOM 301 N SER A 31 28.286 3.367 1.365 1.00 31.14 N ATOM 302 CA SER A 31 29.613 3.928 1.138 1.00 34.21 C ATOM 303 C SER A 31 29.681 4.631 -0.214 1.00 14.41 C ATOM 304 O SER A 31 28.818 4.440 -1.069 1.00 55.14 O ATOM 305 CB SER A 31 30.673 2.827 1.207 1.00 3.51 C ATOM 306 OG SER A 31 31.231 2.737 2.507 1.00 52.33 O ATOM 0 H SER A 31 28.054 2.577 0.764 1.00 31.14 H new ATOM 0 HA SER A 31 29.810 4.662 1.920 1.00 34.21 H new ATOM 0 HB2 SER A 31 30.227 1.871 0.932 1.00 3.51 H new ATOM 0 HB3 SER A 31 31.462 3.031 0.483 1.00 3.51 H new ATOM 0 HG SER A 31 31.904 2.025 2.525 1.00 52.33 H new ATOM 312 N ASN A 32 30.714 5.447 -0.398 1.00 71.33 N ATOM 313 CA ASN A 32 30.896 6.180 -1.646 1.00 14.34 C ATOM 314 C ASN A 32 30.814 5.242 -2.846 1.00 24.44 C ATOM 315 O ASN A 32 30.083 5.501 -3.801 1.00 31.54 O ATOM 316 CB ASN A 32 32.242 6.907 -1.643 1.00 0.04 C ATOM 317 CG ASN A 32 32.085 8.415 -1.648 1.00 51.44 C ATOM 318 OD1 ASN A 32 32.759 9.118 -2.401 1.00 64.03 O ATOM 319 ND2 ASN A 32 31.191 8.920 -0.806 1.00 2.22 N ATOM 0 H ASN A 32 31.437 5.617 0.301 1.00 71.33 H new ATOM 0 HA ASN A 32 30.094 6.914 -1.727 1.00 14.34 H new ATOM 0 HB2 ASN A 32 32.812 6.607 -0.764 1.00 0.04 H new ATOM 0 HB3 ASN A 32 32.819 6.602 -2.516 1.00 0.04 H new ATOM 0 HD21 ASN A 32 31.041 9.928 -0.766 1.00 2.22 H new ATOM 0 HD22 ASN A 32 30.654 8.300 -0.200 1.00 2.22 H new ATOM 326 N ALA A 33 31.571 4.150 -2.788 1.00 54.23 N ATOM 327 CA ALA A 33 31.582 3.171 -3.868 1.00 44.54 C ATOM 328 C ALA A 33 30.672 1.991 -3.549 1.00 73.33 C ATOM 329 O ALA A 33 29.771 1.660 -4.322 1.00 3.42 O ATOM 330 CB ALA A 33 33.002 2.690 -4.129 1.00 40.31 C ATOM 0 H ALA A 33 32.184 3.922 -2.005 1.00 54.23 H new ATOM 0 HA ALA A 33 31.202 3.655 -4.768 1.00 44.54 H new ATOM 0 HB1 ALA A 33 32.996 1.959 -4.938 1.00 40.31 H new ATOM 0 HB2 ALA A 33 33.627 3.537 -4.410 1.00 40.31 H new ATOM 0 HB3 ALA A 33 33.402 2.228 -3.226 1.00 40.31 H new ATOM 336 N THR A 34 30.912 1.356 -2.406 1.00 12.11 N ATOM 337 CA THR A 34 30.115 0.211 -1.986 1.00 33.35 C ATOM 338 C THR A 34 30.392 -0.148 -0.530 1.00 42.21 C ATOM 339 O THR A 34 31.535 -0.103 -0.077 1.00 61.33 O ATOM 340 CB THR A 34 30.392 -1.021 -2.868 1.00 23.12 C ATOM 341 OG1 THR A 34 29.569 -2.117 -2.452 1.00 42.33 O ATOM 342 CG2 THR A 34 31.857 -1.423 -2.790 1.00 44.14 C ATOM 0 H THR A 34 31.653 1.616 -1.755 1.00 12.11 H new ATOM 0 HA THR A 34 29.069 0.498 -2.094 1.00 33.35 H new ATOM 0 HB THR A 34 30.156 -0.762 -3.900 1.00 23.12 H new ATOM 0 HG1 THR A 34 30.020 -2.962 -2.660 1.00 42.33 H new ATOM 0 HG21 THR A 34 32.029 -2.295 -3.421 1.00 44.14 H new ATOM 0 HG22 THR A 34 32.480 -0.597 -3.135 1.00 44.14 H new ATOM 0 HG23 THR A 34 32.113 -1.665 -1.759 1.00 44.14 H new ATOM 350 N ASN A 35 29.339 -0.504 0.198 1.00 52.01 N ATOM 351 CA ASN A 35 29.470 -0.871 1.603 1.00 11.34 C ATOM 352 C ASN A 35 30.547 -1.935 1.790 1.00 73.34 C ATOM 353 O ASN A 35 30.760 -2.778 0.918 1.00 64.34 O ATOM 354 CB ASN A 35 28.133 -1.381 2.146 1.00 62.04 C ATOM 355 CG ASN A 35 28.204 -1.734 3.619 1.00 71.54 C ATOM 356 OD1 ASN A 35 28.039 -2.894 3.999 1.00 51.31 O ATOM 357 ND2 ASN A 35 28.450 -0.734 4.456 1.00 41.41 N ATOM 0 H ASN A 35 28.385 -0.546 -0.162 1.00 52.01 H new ATOM 0 HA ASN A 35 29.764 0.019 2.159 1.00 11.34 H new ATOM 0 HB2 ASN A 35 27.368 -0.619 1.994 1.00 62.04 H new ATOM 0 HB3 ASN A 35 27.825 -2.260 1.579 1.00 62.04 H new ATOM 0 HD21 ASN A 35 28.509 -0.911 5.459 1.00 41.41 H new ATOM 0 HD22 ASN A 35 28.580 0.212 4.097 1.00 41.41 H new ATOM 364 N THR A 36 31.223 -1.891 2.933 1.00 21.54 N ATOM 365 CA THR A 36 32.278 -2.851 3.235 1.00 50.12 C ATOM 366 C THR A 36 32.003 -3.576 4.547 1.00 21.11 C ATOM 367 O THR A 36 31.685 -2.951 5.559 1.00 10.21 O ATOM 368 CB THR A 36 33.654 -2.164 3.319 1.00 23.43 C ATOM 369 OG1 THR A 36 33.489 -0.746 3.431 1.00 74.53 O ATOM 370 CG2 THR A 36 34.496 -2.487 2.094 1.00 40.01 C ATOM 0 H THR A 36 31.059 -1.201 3.666 1.00 21.54 H new ATOM 0 HA THR A 36 32.290 -3.575 2.420 1.00 50.12 H new ATOM 0 HB THR A 36 34.169 -2.539 4.203 1.00 23.43 H new ATOM 0 HG1 THR A 36 34.369 -0.318 3.486 1.00 74.53 H new ATOM 0 HG21 THR A 36 35.463 -1.991 2.176 1.00 40.01 H new ATOM 0 HG22 THR A 36 34.646 -3.565 2.029 1.00 40.01 H new ATOM 0 HG23 THR A 36 33.984 -2.137 1.198 1.00 40.01 H new ATOM 378 N CYS A 37 32.128 -4.899 4.524 1.00 2.22 N ATOM 379 CA CYS A 37 31.894 -5.710 5.712 1.00 35.24 C ATOM 380 C CYS A 37 33.170 -6.427 6.142 1.00 21.41 C ATOM 381 O CYS A 37 33.561 -7.432 5.548 1.00 71.25 O ATOM 382 CB CYS A 37 30.786 -6.732 5.447 1.00 21.02 C ATOM 383 SG CYS A 37 30.418 -7.814 6.865 1.00 30.45 S ATOM 0 H CYS A 37 32.390 -5.432 3.695 1.00 2.22 H new ATOM 0 HA CYS A 37 31.582 -5.046 6.519 1.00 35.24 H new ATOM 0 HB2 CYS A 37 29.877 -6.201 5.163 1.00 21.02 H new ATOM 0 HB3 CYS A 37 31.073 -7.350 4.597 1.00 21.02 H new ATOM 388 N PHE A 38 33.816 -5.904 7.179 1.00 33.11 N ATOM 389 CA PHE A 38 35.048 -6.493 7.689 1.00 65.23 C ATOM 390 C PHE A 38 36.083 -6.638 6.576 1.00 13.31 C ATOM 391 O PHE A 38 36.797 -7.637 6.503 1.00 11.34 O ATOM 392 CB PHE A 38 34.764 -7.859 8.317 1.00 64.11 C ATOM 393 CG PHE A 38 33.933 -7.783 9.566 1.00 65.42 C ATOM 394 CD1 PHE A 38 33.575 -6.557 10.102 1.00 21.21 C ATOM 395 CD2 PHE A 38 33.511 -8.939 10.204 1.00 43.31 C ATOM 396 CE1 PHE A 38 32.810 -6.484 11.251 1.00 3.01 C ATOM 397 CE2 PHE A 38 32.746 -8.872 11.353 1.00 41.42 C ATOM 398 CZ PHE A 38 32.396 -7.643 11.878 1.00 41.12 C ATOM 0 H PHE A 38 33.506 -5.073 7.683 1.00 33.11 H new ATOM 0 HA PHE A 38 35.451 -5.827 8.452 1.00 65.23 H new ATOM 0 HB2 PHE A 38 34.252 -8.486 7.587 1.00 64.11 H new ATOM 0 HB3 PHE A 38 35.710 -8.347 8.549 1.00 64.11 H new ATOM 0 HD1 PHE A 38 33.897 -5.648 9.617 1.00 21.21 H new ATOM 0 HD2 PHE A 38 33.783 -9.902 9.799 1.00 43.31 H new ATOM 0 HE1 PHE A 38 32.536 -5.522 11.658 1.00 3.01 H new ATOM 0 HE2 PHE A 38 32.422 -9.780 11.840 1.00 41.42 H new ATOM 0 HZ PHE A 38 31.800 -7.589 12.777 1.00 41.12 H new ATOM 408 N GLY A 39 36.156 -5.632 5.710 1.00 50.52 N ATOM 409 CA GLY A 39 37.104 -5.666 4.612 1.00 43.51 C ATOM 410 C GLY A 39 36.530 -6.318 3.370 1.00 42.11 C ATOM 411 O GLY A 39 37.090 -6.194 2.281 1.00 71.55 O ATOM 0 H GLY A 39 35.576 -4.794 5.749 1.00 50.52 H new ATOM 0 HA2 GLY A 39 37.416 -4.649 4.374 1.00 43.51 H new ATOM 0 HA3 GLY A 39 37.997 -6.208 4.924 1.00 43.51 H new ATOM 415 N SER A 40 35.411 -7.016 3.533 1.00 12.35 N ATOM 416 CA SER A 40 34.763 -7.695 2.417 1.00 5.02 C ATOM 417 C SER A 40 33.685 -6.813 1.796 1.00 13.33 C ATOM 418 O SER A 40 32.547 -6.779 2.265 1.00 32.54 O ATOM 419 CB SER A 40 34.151 -9.017 2.883 1.00 22.32 C ATOM 420 OG SER A 40 34.913 -9.591 3.932 1.00 51.44 O ATOM 0 H SER A 40 34.934 -7.126 4.428 1.00 12.35 H new ATOM 0 HA SER A 40 35.520 -7.900 1.660 1.00 5.02 H new ATOM 0 HB2 SER A 40 33.129 -8.849 3.222 1.00 22.32 H new ATOM 0 HB3 SER A 40 34.098 -9.712 2.045 1.00 22.32 H new ATOM 0 HG SER A 40 34.740 -9.106 4.766 1.00 51.44 H new ATOM 426 N LYS A 41 34.051 -6.098 0.737 1.00 34.44 N ATOM 427 CA LYS A 41 33.116 -5.216 0.049 1.00 1.22 C ATOM 428 C LYS A 41 31.866 -5.976 -0.381 1.00 70.44 C ATOM 429 O LYS A 41 31.951 -6.981 -1.089 1.00 40.12 O ATOM 430 CB LYS A 41 33.786 -4.582 -1.172 1.00 3.11 C ATOM 431 CG LYS A 41 35.009 -3.749 -0.830 1.00 43.43 C ATOM 432 CD LYS A 41 35.936 -3.602 -2.026 1.00 15.51 C ATOM 433 CE LYS A 41 35.266 -2.841 -3.160 1.00 15.54 C ATOM 434 NZ LYS A 41 36.107 -1.711 -3.643 1.00 62.10 N ATOM 0 H LYS A 41 34.989 -6.112 0.337 1.00 34.44 H new ATOM 0 HA LYS A 41 32.820 -4.429 0.743 1.00 1.22 H new ATOM 0 HB2 LYS A 41 34.076 -5.370 -1.867 1.00 3.11 H new ATOM 0 HB3 LYS A 41 33.061 -3.953 -1.688 1.00 3.11 H new ATOM 0 HG2 LYS A 41 34.695 -2.763 -0.489 1.00 43.43 H new ATOM 0 HG3 LYS A 41 35.549 -4.215 -0.005 1.00 43.43 H new ATOM 0 HD2 LYS A 41 36.843 -3.080 -1.722 1.00 15.51 H new ATOM 0 HD3 LYS A 41 36.238 -4.589 -2.377 1.00 15.51 H new ATOM 0 HE2 LYS A 41 35.065 -3.523 -3.986 1.00 15.54 H new ATOM 0 HE3 LYS A 41 34.303 -2.458 -2.821 1.00 15.54 H new ATOM 0 HZ1 LYS A 41 35.615 -1.218 -4.415 1.00 62.10 H new ATOM 0 HZ2 LYS A 41 36.278 -1.047 -2.861 1.00 62.10 H new ATOM 0 HZ3 LYS A 41 37.016 -2.078 -3.990 1.00 62.10 H new ATOM 448 N LEU A 42 30.706 -5.491 0.048 1.00 25.14 N ATOM 449 CA LEU A 42 29.438 -6.125 -0.294 1.00 52.43 C ATOM 450 C LEU A 42 29.061 -5.839 -1.744 1.00 72.15 C ATOM 451 O LEU A 42 29.477 -4.842 -2.335 1.00 62.42 O ATOM 452 CB LEU A 42 28.331 -5.632 0.639 1.00 54.41 C ATOM 453 CG LEU A 42 28.481 -6.003 2.114 1.00 24.35 C ATOM 454 CD1 LEU A 42 28.905 -7.457 2.258 1.00 15.11 C ATOM 455 CD2 LEU A 42 29.484 -5.084 2.796 1.00 24.12 C ATOM 0 H LEU A 42 30.618 -4.660 0.633 1.00 25.14 H new ATOM 0 HA LEU A 42 29.554 -7.202 -0.173 1.00 52.43 H new ATOM 0 HB2 LEU A 42 28.276 -4.546 0.562 1.00 54.41 H new ATOM 0 HB3 LEU A 42 27.380 -6.026 0.281 1.00 54.41 H new ATOM 0 HG LEU A 42 27.514 -5.877 2.600 1.00 24.35 H new ATOM 0 HD11 LEU A 42 29.007 -7.703 3.315 1.00 15.11 H new ATOM 0 HD12 LEU A 42 28.152 -8.102 1.806 1.00 15.11 H new ATOM 0 HD13 LEU A 42 29.861 -7.609 1.756 1.00 15.11 H new ATOM 0 HD21 LEU A 42 29.578 -5.363 3.846 1.00 24.12 H new ATOM 0 HD22 LEU A 42 30.454 -5.178 2.307 1.00 24.12 H new ATOM 0 HD23 LEU A 42 29.140 -4.052 2.724 1.00 24.12 H new ATOM 467 N PRO A 43 28.252 -6.733 -2.333 1.00 12.33 N ATOM 468 CA PRO A 43 27.798 -6.597 -3.720 1.00 63.11 C ATOM 469 C PRO A 43 26.817 -5.444 -3.899 1.00 34.00 C ATOM 470 O PRO A 43 26.448 -5.099 -5.022 1.00 12.53 O ATOM 471 CB PRO A 43 27.109 -7.935 -4.000 1.00 52.33 C ATOM 472 CG PRO A 43 26.677 -8.426 -2.662 1.00 10.02 C ATOM 473 CD PRO A 43 27.717 -7.944 -1.689 1.00 31.15 C ATOM 0 HA PRO A 43 28.622 -6.376 -4.399 1.00 63.11 H new ATOM 0 HB2 PRO A 43 26.258 -7.810 -4.669 1.00 52.33 H new ATOM 0 HB3 PRO A 43 27.790 -8.638 -4.479 1.00 52.33 H new ATOM 0 HG2 PRO A 43 25.691 -8.039 -2.404 1.00 10.02 H new ATOM 0 HG3 PRO A 43 26.605 -9.514 -2.650 1.00 10.02 H new ATOM 0 HD2 PRO A 43 27.283 -7.722 -0.714 1.00 31.15 H new ATOM 0 HD3 PRO A 43 28.495 -8.691 -1.529 1.00 31.15 H new ATOM 481 N TYR A 44 26.398 -4.852 -2.786 1.00 75.12 N ATOM 482 CA TYR A 44 25.457 -3.739 -2.820 1.00 52.34 C ATOM 483 C TYR A 44 26.065 -2.492 -2.186 1.00 1.31 C ATOM 484 O TYR A 44 26.767 -2.575 -1.178 1.00 52.35 O ATOM 485 CB TYR A 44 24.163 -4.114 -2.095 1.00 63.14 C ATOM 486 CG TYR A 44 24.361 -5.124 -0.988 1.00 21.21 C ATOM 487 CD1 TYR A 44 24.852 -4.737 0.253 1.00 61.32 C ATOM 488 CD2 TYR A 44 24.056 -6.466 -1.182 1.00 50.13 C ATOM 489 CE1 TYR A 44 25.035 -5.657 1.267 1.00 21.11 C ATOM 490 CE2 TYR A 44 24.234 -7.392 -0.173 1.00 64.42 C ATOM 491 CZ TYR A 44 24.725 -6.983 1.049 1.00 34.24 C ATOM 492 OH TYR A 44 24.904 -7.902 2.058 1.00 62.33 O ATOM 0 H TYR A 44 26.695 -5.124 -1.849 1.00 75.12 H new ATOM 0 HA TYR A 44 25.230 -3.521 -3.864 1.00 52.34 H new ATOM 0 HB2 TYR A 44 23.716 -3.212 -1.677 1.00 63.14 H new ATOM 0 HB3 TYR A 44 23.454 -4.515 -2.819 1.00 63.14 H new ATOM 0 HD1 TYR A 44 25.095 -3.699 0.428 1.00 61.32 H new ATOM 0 HD2 TYR A 44 23.673 -6.790 -2.138 1.00 50.13 H new ATOM 0 HE1 TYR A 44 25.419 -5.340 2.225 1.00 21.11 H new ATOM 0 HE2 TYR A 44 23.990 -8.431 -0.340 1.00 64.42 H new ATOM 0 HH TYR A 44 24.882 -7.445 2.925 1.00 62.33 H new ATOM 502 N GLU A 45 25.789 -1.337 -2.784 1.00 5.12 N ATOM 503 CA GLU A 45 26.310 -0.072 -2.278 1.00 35.14 C ATOM 504 C GLU A 45 25.233 0.691 -1.510 1.00 63.52 C ATOM 505 O GLU A 45 25.462 1.807 -1.042 1.00 73.20 O ATOM 506 CB GLU A 45 26.835 0.787 -3.430 1.00 20.41 C ATOM 507 CG GLU A 45 25.737 1.452 -4.243 1.00 3.12 C ATOM 508 CD GLU A 45 26.282 2.285 -5.387 1.00 10.12 C ATOM 509 OE1 GLU A 45 26.527 1.715 -6.471 1.00 12.12 O ATOM 510 OE2 GLU A 45 26.464 3.506 -5.199 1.00 13.05 O ATOM 0 H GLU A 45 25.208 -1.251 -3.618 1.00 5.12 H new ATOM 0 HA GLU A 45 27.131 -0.293 -1.596 1.00 35.14 H new ATOM 0 HB2 GLU A 45 27.494 1.556 -3.027 1.00 20.41 H new ATOM 0 HB3 GLU A 45 27.438 0.164 -4.091 1.00 20.41 H new ATOM 0 HG2 GLU A 45 25.070 0.687 -4.641 1.00 3.12 H new ATOM 0 HG3 GLU A 45 25.139 2.087 -3.589 1.00 3.12 H new ATOM 517 N LEU A 46 24.060 0.081 -1.386 1.00 33.22 N ATOM 518 CA LEU A 46 22.947 0.701 -0.676 1.00 15.41 C ATOM 519 C LEU A 46 22.596 -0.087 0.582 1.00 10.42 C ATOM 520 O LEU A 46 23.115 -1.180 0.806 1.00 33.24 O ATOM 521 CB LEU A 46 21.723 0.797 -1.589 1.00 61.22 C ATOM 522 CG LEU A 46 21.854 1.733 -2.791 1.00 11.53 C ATOM 523 CD1 LEU A 46 20.590 1.698 -3.635 1.00 54.12 C ATOM 524 CD2 LEU A 46 22.151 3.153 -2.330 1.00 55.34 C ATOM 0 H LEU A 46 23.855 -0.842 -1.768 1.00 33.22 H new ATOM 0 HA LEU A 46 23.252 1.705 -0.380 1.00 15.41 H new ATOM 0 HB2 LEU A 46 21.489 -0.202 -1.956 1.00 61.22 H new ATOM 0 HB3 LEU A 46 20.873 1.124 -0.990 1.00 61.22 H new ATOM 0 HG LEU A 46 22.686 1.390 -3.406 1.00 11.53 H new ATOM 0 HD11 LEU A 46 20.702 2.370 -4.486 1.00 54.12 H new ATOM 0 HD12 LEU A 46 20.420 0.683 -3.994 1.00 54.12 H new ATOM 0 HD13 LEU A 46 19.740 2.016 -3.031 1.00 54.12 H new ATOM 0 HD21 LEU A 46 22.241 3.806 -3.198 1.00 55.34 H new ATOM 0 HD22 LEU A 46 21.340 3.506 -1.693 1.00 55.34 H new ATOM 0 HD23 LEU A 46 23.085 3.165 -1.768 1.00 55.34 H new ATOM 536 N SER A 47 21.711 0.476 1.399 1.00 73.41 N ATOM 537 CA SER A 47 21.292 -0.174 2.635 1.00 15.45 C ATOM 538 C SER A 47 19.885 0.267 3.031 1.00 64.02 C ATOM 539 O SER A 47 19.427 1.341 2.642 1.00 4.41 O ATOM 540 CB SER A 47 22.275 0.147 3.763 1.00 35.32 C ATOM 541 OG SER A 47 21.664 -0.011 5.032 1.00 12.22 O ATOM 0 H SER A 47 21.271 1.380 1.227 1.00 73.41 H new ATOM 0 HA SER A 47 21.283 -1.251 2.465 1.00 15.45 H new ATOM 0 HB2 SER A 47 23.144 -0.508 3.690 1.00 35.32 H new ATOM 0 HB3 SER A 47 22.636 1.170 3.655 1.00 35.32 H new ATOM 0 HG SER A 47 21.093 0.764 5.219 1.00 12.22 H new ATOM 547 N SER A 48 19.205 -0.571 3.806 1.00 24.53 N ATOM 548 CA SER A 48 17.850 -0.272 4.252 1.00 53.31 C ATOM 549 C SER A 48 17.745 -0.361 5.771 1.00 22.04 C ATOM 550 O SER A 48 17.682 -1.453 6.338 1.00 0.11 O ATOM 551 CB SER A 48 16.852 -1.234 3.603 1.00 5.43 C ATOM 552 OG SER A 48 17.176 -2.581 3.902 1.00 54.25 O ATOM 0 H SER A 48 19.571 -1.463 4.138 1.00 24.53 H new ATOM 0 HA SER A 48 17.611 0.747 3.948 1.00 53.31 H new ATOM 0 HB2 SER A 48 15.845 -1.012 3.956 1.00 5.43 H new ATOM 0 HB3 SER A 48 16.851 -1.088 2.523 1.00 5.43 H new ATOM 0 HG SER A 48 17.506 -2.641 4.823 1.00 54.25 H new ATOM 558 N LEU A 49 17.727 0.795 6.426 1.00 64.03 N ATOM 559 CA LEU A 49 17.630 0.849 7.880 1.00 5.42 C ATOM 560 C LEU A 49 16.344 0.189 8.365 1.00 21.44 C ATOM 561 O LEU A 49 16.245 -0.227 9.520 1.00 63.10 O ATOM 562 CB LEU A 49 17.684 2.301 8.361 1.00 63.33 C ATOM 563 CG LEU A 49 19.080 2.875 8.606 1.00 0.12 C ATOM 564 CD1 LEU A 49 18.986 4.257 9.235 1.00 73.41 C ATOM 565 CD2 LEU A 49 19.894 1.940 9.489 1.00 71.13 C ATOM 0 H LEU A 49 17.778 1.707 5.973 1.00 64.03 H new ATOM 0 HA LEU A 49 18.476 0.303 8.296 1.00 5.42 H new ATOM 0 HB2 LEU A 49 17.180 2.926 7.624 1.00 63.33 H new ATOM 0 HB3 LEU A 49 17.114 2.378 9.287 1.00 63.33 H new ATOM 0 HG LEU A 49 19.587 2.969 7.646 1.00 0.12 H new ATOM 0 HD11 LEU A 49 19.989 4.650 9.402 1.00 73.41 H new ATOM 0 HD12 LEU A 49 18.442 4.924 8.567 1.00 73.41 H new ATOM 0 HD13 LEU A 49 18.460 4.188 10.187 1.00 73.41 H new ATOM 0 HD21 LEU A 49 20.884 2.365 9.653 1.00 71.13 H new ATOM 0 HD22 LEU A 49 19.390 1.814 10.447 1.00 71.13 H new ATOM 0 HD23 LEU A 49 19.991 0.971 9.000 1.00 71.13 H new ATOM 577 N ASP A 50 15.362 0.093 7.476 1.00 43.43 N ATOM 578 CA ASP A 50 14.083 -0.520 7.812 1.00 73.22 C ATOM 579 C ASP A 50 14.281 -1.941 8.331 1.00 40.04 C ATOM 580 O ASP A 50 13.454 -2.460 9.081 1.00 31.41 O ATOM 581 CB ASP A 50 13.163 -0.534 6.590 1.00 12.20 C ATOM 582 CG ASP A 50 11.777 -1.055 6.915 1.00 54.32 C ATOM 583 OD1 ASP A 50 10.983 -0.298 7.513 1.00 51.35 O ATOM 584 OD2 ASP A 50 11.485 -2.219 6.571 1.00 50.15 O ATOM 0 H ASP A 50 15.427 0.432 6.516 1.00 43.43 H new ATOM 0 HA ASP A 50 13.619 0.074 8.599 1.00 73.22 H new ATOM 0 HB2 ASP A 50 13.083 0.476 6.187 1.00 12.20 H new ATOM 0 HB3 ASP A 50 13.608 -1.154 5.811 1.00 12.20 H new ATOM 589 N LEU A 51 15.381 -2.565 7.925 1.00 5.04 N ATOM 590 CA LEU A 51 15.689 -3.927 8.348 1.00 15.03 C ATOM 591 C LEU A 51 16.010 -3.975 9.839 1.00 51.04 C ATOM 592 O LEU A 51 15.982 -5.039 10.458 1.00 74.34 O ATOM 593 CB LEU A 51 16.866 -4.479 7.543 1.00 41.10 C ATOM 594 CG LEU A 51 16.642 -5.833 6.868 1.00 1.42 C ATOM 595 CD1 LEU A 51 16.323 -5.647 5.393 1.00 73.40 C ATOM 596 CD2 LEU A 51 17.863 -6.724 7.044 1.00 74.53 C ATOM 0 H LEU A 51 16.075 -2.150 7.303 1.00 5.04 H new ATOM 0 HA LEU A 51 14.810 -4.545 8.164 1.00 15.03 H new ATOM 0 HB2 LEU A 51 17.128 -3.751 6.775 1.00 41.10 H new ATOM 0 HB3 LEU A 51 17.726 -4.565 8.207 1.00 41.10 H new ATOM 0 HG LEU A 51 15.790 -6.319 7.344 1.00 1.42 H new ATOM 0 HD11 LEU A 51 16.167 -6.621 4.929 1.00 73.40 H new ATOM 0 HD12 LEU A 51 15.419 -5.046 5.289 1.00 73.40 H new ATOM 0 HD13 LEU A 51 17.154 -5.140 4.902 1.00 73.40 H new ATOM 0 HD21 LEU A 51 17.686 -7.683 6.558 1.00 74.53 H new ATOM 0 HD22 LEU A 51 18.732 -6.244 6.594 1.00 74.53 H new ATOM 0 HD23 LEU A 51 18.046 -6.884 8.106 1.00 74.53 H new ATOM 608 N THR A 52 16.314 -2.814 10.411 1.00 32.11 N ATOM 609 CA THR A 52 16.639 -2.723 11.829 1.00 64.13 C ATOM 610 C THR A 52 15.695 -1.768 12.549 1.00 2.44 C ATOM 611 O THR A 52 15.686 -1.699 13.779 1.00 55.24 O ATOM 612 CB THR A 52 18.090 -2.252 12.043 1.00 41.12 C ATOM 613 OG1 THR A 52 18.528 -1.485 10.916 1.00 54.15 O ATOM 614 CG2 THR A 52 19.020 -3.438 12.247 1.00 70.41 C ATOM 0 H THR A 52 16.342 -1.924 9.914 1.00 32.11 H new ATOM 0 HA THR A 52 16.525 -3.724 12.245 1.00 64.13 H new ATOM 0 HB THR A 52 18.118 -1.630 12.938 1.00 41.12 H new ATOM 0 HG1 THR A 52 18.566 -0.537 11.161 1.00 54.15 H new ATOM 0 HG21 THR A 52 20.039 -3.080 12.396 1.00 70.41 H new ATOM 0 HG22 THR A 52 18.702 -4.003 13.123 1.00 70.41 H new ATOM 0 HG23 THR A 52 18.987 -4.082 11.368 1.00 70.41 H new ATOM 622 N ASP A 53 14.902 -1.033 11.777 1.00 2.25 N ATOM 623 CA ASP A 53 13.952 -0.082 12.343 1.00 41.20 C ATOM 624 C ASP A 53 14.674 1.139 12.905 1.00 22.31 C ATOM 625 O ASP A 53 14.293 1.673 13.947 1.00 45.22 O ATOM 626 CB ASP A 53 13.122 -0.749 13.441 1.00 61.23 C ATOM 627 CG ASP A 53 11.718 -0.184 13.529 1.00 20.22 C ATOM 628 OD1 ASP A 53 11.091 0.016 12.468 1.00 75.31 O ATOM 629 OD2 ASP A 53 11.246 0.057 14.660 1.00 43.33 O ATOM 0 H ASP A 53 14.898 -1.077 10.758 1.00 2.25 H new ATOM 0 HA ASP A 53 13.287 0.247 11.545 1.00 41.20 H new ATOM 0 HB2 ASP A 53 13.068 -1.821 13.251 1.00 61.23 H new ATOM 0 HB3 ASP A 53 13.623 -0.620 14.400 1.00 61.23 H new ATOM 634 N PHE A 54 15.719 1.574 12.209 1.00 1.20 N ATOM 635 CA PHE A 54 16.496 2.731 12.640 1.00 63.44 C ATOM 636 C PHE A 54 15.977 4.008 11.987 1.00 10.42 C ATOM 637 O PHE A 54 15.042 3.974 11.186 1.00 3.41 O ATOM 638 CB PHE A 54 17.975 2.534 12.297 1.00 13.24 C ATOM 639 CG PHE A 54 18.690 1.608 13.239 1.00 1.41 C ATOM 640 CD1 PHE A 54 18.596 1.785 14.610 1.00 1.12 C ATOM 641 CD2 PHE A 54 19.456 0.561 12.753 1.00 2.14 C ATOM 642 CE1 PHE A 54 19.254 0.935 15.479 1.00 61.03 C ATOM 643 CE2 PHE A 54 20.116 -0.293 13.617 1.00 3.42 C ATOM 644 CZ PHE A 54 20.014 -0.106 14.982 1.00 41.23 C ATOM 0 H PHE A 54 16.047 1.143 11.345 1.00 1.20 H new ATOM 0 HA PHE A 54 16.390 2.827 13.721 1.00 63.44 H new ATOM 0 HB2 PHE A 54 18.056 2.142 11.283 1.00 13.24 H new ATOM 0 HB3 PHE A 54 18.474 3.503 12.304 1.00 13.24 H new ATOM 0 HD1 PHE A 54 18.002 2.596 15.004 1.00 1.12 H new ATOM 0 HD2 PHE A 54 19.539 0.410 11.687 1.00 2.14 H new ATOM 0 HE1 PHE A 54 19.174 1.085 16.546 1.00 61.03 H new ATOM 0 HE2 PHE A 54 20.710 -1.105 13.225 1.00 3.42 H new ATOM 0 HZ PHE A 54 20.527 -0.772 15.659 1.00 41.23 H new ATOM 654 N HIS A 55 16.590 5.135 12.336 1.00 14.34 N ATOM 655 CA HIS A 55 16.190 6.425 11.785 1.00 11.33 C ATOM 656 C HIS A 55 17.381 7.139 11.154 1.00 63.13 C ATOM 657 O HIS A 55 17.245 8.236 10.610 1.00 24.40 O ATOM 658 CB HIS A 55 15.576 7.302 12.877 1.00 32.22 C ATOM 659 CG HIS A 55 14.146 6.972 13.177 1.00 70.41 C ATOM 660 ND1 HIS A 55 13.100 7.348 12.361 1.00 13.45 N ATOM 661 CD2 HIS A 55 13.591 6.294 14.209 1.00 4.01 C ATOM 662 CE1 HIS A 55 11.963 6.918 12.880 1.00 3.41 C ATOM 663 NE2 HIS A 55 12.234 6.275 14.001 1.00 21.04 N ATOM 0 H HIS A 55 17.365 5.181 12.997 1.00 14.34 H new ATOM 0 HA HIS A 55 15.444 6.246 11.011 1.00 11.33 H new ATOM 0 HB2 HIS A 55 16.164 7.197 13.789 1.00 32.22 H new ATOM 0 HB3 HIS A 55 15.643 8.347 12.573 1.00 32.22 H new ATOM 0 HD2 HIS A 55 14.118 5.851 15.041 1.00 4.01 H new ATOM 0 HE1 HIS A 55 10.980 7.067 12.459 1.00 3.41 H new ATOM 0 HE2 HIS A 55 11.547 5.835 14.613 1.00 21.04 H new ATOM 671 N THR A 56 18.550 6.510 11.229 1.00 21.15 N ATOM 672 CA THR A 56 19.766 7.085 10.667 1.00 15.13 C ATOM 673 C THR A 56 20.928 6.103 10.751 1.00 63.12 C ATOM 674 O THR A 56 20.999 5.288 11.670 1.00 74.32 O ATOM 675 CB THR A 56 20.156 8.388 11.389 1.00 4.35 C ATOM 676 OG1 THR A 56 21.536 8.688 11.147 1.00 35.14 O ATOM 677 CG2 THR A 56 19.913 8.271 12.887 1.00 53.55 C ATOM 0 H THR A 56 18.680 5.601 11.674 1.00 21.15 H new ATOM 0 HA THR A 56 19.557 7.307 9.620 1.00 15.13 H new ATOM 0 HB THR A 56 19.535 9.194 10.998 1.00 4.35 H new ATOM 0 HG1 THR A 56 21.625 9.627 10.880 1.00 35.14 H new ATOM 0 HG21 THR A 56 20.196 9.203 13.375 1.00 53.55 H new ATOM 0 HG22 THR A 56 18.857 8.071 13.070 1.00 53.55 H new ATOM 0 HG23 THR A 56 20.512 7.454 13.290 1.00 53.55 H new ATOM 685 N GLU A 57 21.839 6.187 9.786 1.00 53.23 N ATOM 686 CA GLU A 57 22.999 5.304 9.752 1.00 53.34 C ATOM 687 C GLU A 57 23.731 5.316 11.090 1.00 1.33 C ATOM 688 O GLU A 57 24.127 4.270 11.604 1.00 22.20 O ATOM 689 CB GLU A 57 23.953 5.723 8.632 1.00 45.23 C ATOM 690 CG GLU A 57 23.270 5.912 7.288 1.00 52.21 C ATOM 691 CD GLU A 57 23.217 7.366 6.860 1.00 71.24 C ATOM 692 OE1 GLU A 57 24.286 7.931 6.546 1.00 30.43 O ATOM 693 OE2 GLU A 57 22.108 7.939 6.838 1.00 73.41 O ATOM 0 H GLU A 57 21.796 6.857 9.018 1.00 53.23 H new ATOM 0 HA GLU A 57 22.647 4.290 9.560 1.00 53.34 H new ATOM 0 HB2 GLU A 57 24.444 6.654 8.914 1.00 45.23 H new ATOM 0 HB3 GLU A 57 24.734 4.969 8.530 1.00 45.23 H new ATOM 0 HG2 GLU A 57 23.799 5.333 6.531 1.00 52.21 H new ATOM 0 HG3 GLU A 57 22.256 5.515 7.341 1.00 52.21 H new ATOM 700 N LYS A 58 23.908 6.508 11.650 1.00 3.13 N ATOM 701 CA LYS A 58 24.592 6.659 12.929 1.00 0.02 C ATOM 702 C LYS A 58 23.955 5.772 13.995 1.00 44.15 C ATOM 703 O LYS A 58 24.642 5.257 14.877 1.00 54.43 O ATOM 704 CB LYS A 58 24.557 8.121 13.380 1.00 1.02 C ATOM 705 CG LYS A 58 23.185 8.583 13.839 1.00 10.32 C ATOM 706 CD LYS A 58 22.940 10.040 13.484 1.00 10.45 C ATOM 707 CE LYS A 58 22.864 10.912 14.729 1.00 73.31 C ATOM 708 NZ LYS A 58 22.053 12.139 14.498 1.00 54.03 N ATOM 0 H LYS A 58 23.587 7.384 11.238 1.00 3.13 H new ATOM 0 HA LYS A 58 25.629 6.350 12.797 1.00 0.02 H new ATOM 0 HB2 LYS A 58 25.269 8.258 14.194 1.00 1.02 H new ATOM 0 HB3 LYS A 58 24.888 8.754 12.557 1.00 1.02 H new ATOM 0 HG2 LYS A 58 22.418 7.961 13.378 1.00 10.32 H new ATOM 0 HG3 LYS A 58 23.097 8.451 14.917 1.00 10.32 H new ATOM 0 HD2 LYS A 58 23.741 10.397 12.836 1.00 10.45 H new ATOM 0 HD3 LYS A 58 22.011 10.127 12.920 1.00 10.45 H new ATOM 0 HE2 LYS A 58 22.430 10.339 15.548 1.00 73.31 H new ATOM 0 HE3 LYS A 58 23.871 11.195 15.036 1.00 73.31 H new ATOM 0 HZ1 LYS A 58 22.025 12.706 15.369 1.00 54.03 H new ATOM 0 HZ2 LYS A 58 22.481 12.699 13.734 1.00 54.03 H new ATOM 0 HZ3 LYS A 58 21.085 11.870 14.229 1.00 54.03 H new ATOM 722 N GLU A 59 22.641 5.597 13.904 1.00 13.45 N ATOM 723 CA GLU A 59 21.913 4.772 14.861 1.00 22.41 C ATOM 724 C GLU A 59 22.358 3.315 14.771 1.00 22.33 C ATOM 725 O GLU A 59 22.552 2.649 15.789 1.00 32.23 O ATOM 726 CB GLU A 59 20.407 4.872 14.613 1.00 14.35 C ATOM 727 CG GLU A 59 19.619 5.328 15.830 1.00 31.03 C ATOM 728 CD GLU A 59 19.763 4.382 17.006 1.00 31.33 C ATOM 729 OE1 GLU A 59 20.842 4.375 17.635 1.00 40.15 O ATOM 730 OE2 GLU A 59 18.795 3.648 17.298 1.00 25.24 O ATOM 0 H GLU A 59 22.059 6.015 13.178 1.00 13.45 H new ATOM 0 HA GLU A 59 22.134 5.141 15.862 1.00 22.41 H new ATOM 0 HB2 GLU A 59 20.228 5.567 13.793 1.00 14.35 H new ATOM 0 HB3 GLU A 59 20.034 3.899 14.293 1.00 14.35 H new ATOM 0 HG2 GLU A 59 19.956 6.322 16.125 1.00 31.03 H new ATOM 0 HG3 GLU A 59 18.565 5.414 15.565 1.00 31.03 H new ATOM 737 N LEU A 60 22.518 2.826 13.546 1.00 20.25 N ATOM 738 CA LEU A 60 22.940 1.447 13.322 1.00 52.40 C ATOM 739 C LEU A 60 24.416 1.267 13.661 1.00 11.54 C ATOM 740 O LEU A 60 24.782 0.379 14.429 1.00 4.25 O ATOM 741 CB LEU A 60 22.686 1.046 11.868 1.00 45.33 C ATOM 742 CG LEU A 60 22.909 -0.428 11.530 1.00 61.33 C ATOM 743 CD1 LEU A 60 21.910 -0.892 10.481 1.00 62.20 C ATOM 744 CD2 LEU A 60 24.335 -0.656 11.049 1.00 53.25 C ATOM 0 H LEU A 60 22.362 3.363 12.693 1.00 20.25 H new ATOM 0 HA LEU A 60 22.355 0.803 13.978 1.00 52.40 H new ATOM 0 HB2 LEU A 60 21.658 1.305 11.615 1.00 45.33 H new ATOM 0 HB3 LEU A 60 23.332 1.647 11.228 1.00 45.33 H new ATOM 0 HG LEU A 60 22.754 -1.016 12.435 1.00 61.33 H new ATOM 0 HD11 LEU A 60 22.084 -1.944 10.253 1.00 62.20 H new ATOM 0 HD12 LEU A 60 20.897 -0.766 10.863 1.00 62.20 H new ATOM 0 HD13 LEU A 60 22.032 -0.299 9.575 1.00 62.20 H new ATOM 0 HD21 LEU A 60 24.475 -1.711 10.813 1.00 53.25 H new ATOM 0 HD22 LEU A 60 24.518 -0.057 10.157 1.00 53.25 H new ATOM 0 HD23 LEU A 60 25.034 -0.363 11.832 1.00 53.25 H new ATOM 756 N ASN A 61 25.258 2.118 13.085 1.00 44.43 N ATOM 757 CA ASN A 61 26.695 2.054 13.327 1.00 0.44 C ATOM 758 C ASN A 61 27.000 2.158 14.819 1.00 72.52 C ATOM 759 O ASN A 61 27.835 1.421 15.345 1.00 53.14 O ATOM 760 CB ASN A 61 27.412 3.174 12.570 1.00 13.33 C ATOM 761 CG ASN A 61 27.375 2.972 11.068 1.00 54.12 C ATOM 762 OD1 ASN A 61 27.039 3.887 10.315 1.00 32.24 O ATOM 763 ND2 ASN A 61 27.720 1.769 10.624 1.00 4.22 N ATOM 0 H ASN A 61 24.970 2.860 12.447 1.00 44.43 H new ATOM 0 HA ASN A 61 27.056 1.091 12.966 1.00 0.44 H new ATOM 0 HB2 ASN A 61 26.949 4.130 12.817 1.00 13.33 H new ATOM 0 HB3 ASN A 61 28.449 3.227 12.901 1.00 13.33 H new ATOM 0 HD21 ASN A 61 27.713 1.574 9.623 1.00 4.22 H new ATOM 0 HD22 ASN A 61 27.992 1.040 11.284 1.00 4.22 H new ATOM 770 N ASP A 62 26.317 3.075 15.494 1.00 2.43 N ATOM 771 CA ASP A 62 26.513 3.274 16.926 1.00 42.34 C ATOM 772 C ASP A 62 25.934 2.108 17.721 1.00 43.14 C ATOM 773 O ASP A 62 26.524 1.658 18.703 1.00 4.52 O ATOM 774 CB ASP A 62 25.864 4.585 17.374 1.00 64.15 C ATOM 775 CG ASP A 62 26.568 5.802 16.806 1.00 14.43 C ATOM 776 OD1 ASP A 62 27.801 5.742 16.622 1.00 0.51 O ATOM 777 OD2 ASP A 62 25.884 6.816 16.547 1.00 25.45 O ATOM 0 H ASP A 62 25.623 3.693 15.073 1.00 2.43 H new ATOM 0 HA ASP A 62 27.585 3.324 17.117 1.00 42.34 H new ATOM 0 HB2 ASP A 62 24.819 4.595 17.063 1.00 64.15 H new ATOM 0 HB3 ASP A 62 25.873 4.638 18.463 1.00 64.15 H new ATOM 782 N LYS A 63 24.775 1.623 17.290 1.00 71.42 N ATOM 783 CA LYS A 63 24.115 0.509 17.960 1.00 31.40 C ATOM 784 C LYS A 63 25.002 -0.732 17.956 1.00 44.13 C ATOM 785 O LYS A 63 25.003 -1.511 18.910 1.00 53.10 O ATOM 786 CB LYS A 63 22.780 0.196 17.280 1.00 40.00 C ATOM 787 CG LYS A 63 22.166 -1.122 17.721 1.00 5.52 C ATOM 788 CD LYS A 63 22.396 -2.216 16.692 1.00 1.23 C ATOM 789 CE LYS A 63 23.168 -3.385 17.285 1.00 42.33 C ATOM 790 NZ LYS A 63 22.553 -3.871 18.550 1.00 31.44 N ATOM 0 H LYS A 63 24.273 1.984 16.479 1.00 71.42 H new ATOM 0 HA LYS A 63 23.930 0.799 18.994 1.00 31.40 H new ATOM 0 HB2 LYS A 63 22.077 1.003 17.490 1.00 40.00 H new ATOM 0 HB3 LYS A 63 22.928 0.175 16.200 1.00 40.00 H new ATOM 0 HG2 LYS A 63 22.596 -1.423 18.676 1.00 5.52 H new ATOM 0 HG3 LYS A 63 21.096 -0.991 17.881 1.00 5.52 H new ATOM 0 HD2 LYS A 63 21.437 -2.567 16.312 1.00 1.23 H new ATOM 0 HD3 LYS A 63 22.945 -1.809 15.843 1.00 1.23 H new ATOM 0 HE2 LYS A 63 23.204 -4.200 16.562 1.00 42.33 H new ATOM 0 HE3 LYS A 63 24.197 -3.081 17.475 1.00 42.33 H new ATOM 0 HZ1 LYS A 63 23.228 -3.752 19.332 1.00 31.44 H new ATOM 0 HZ2 LYS A 63 21.692 -3.323 18.750 1.00 31.44 H new ATOM 0 HZ3 LYS A 63 22.309 -4.877 18.453 1.00 31.44 H new ATOM 804 N LEU A 64 25.758 -0.909 16.878 1.00 62.22 N ATOM 805 CA LEU A 64 26.652 -2.055 16.750 1.00 3.22 C ATOM 806 C LEU A 64 27.523 -2.208 17.994 1.00 54.54 C ATOM 807 O LEU A 64 27.877 -3.320 18.382 1.00 1.52 O ATOM 808 CB LEU A 64 27.536 -1.902 15.511 1.00 51.40 C ATOM 809 CG LEU A 64 26.804 -1.815 14.171 1.00 11.13 C ATOM 810 CD1 LEU A 64 27.614 -2.490 13.076 1.00 43.35 C ATOM 811 CD2 LEU A 64 25.421 -2.442 14.277 1.00 3.54 C ATOM 0 H LEU A 64 25.770 -0.274 16.080 1.00 62.22 H new ATOM 0 HA LEU A 64 26.040 -2.951 16.644 1.00 3.22 H new ATOM 0 HB2 LEU A 64 28.142 -1.004 15.630 1.00 51.40 H new ATOM 0 HB3 LEU A 64 28.223 -2.747 15.473 1.00 51.40 H new ATOM 0 HG LEU A 64 26.685 -0.763 13.911 1.00 11.13 H new ATOM 0 HD11 LEU A 64 27.078 -2.418 12.130 1.00 43.35 H new ATOM 0 HD12 LEU A 64 28.582 -1.997 12.983 1.00 43.35 H new ATOM 0 HD13 LEU A 64 27.764 -3.539 13.329 1.00 43.35 H new ATOM 0 HD21 LEU A 64 24.915 -2.371 13.314 1.00 3.54 H new ATOM 0 HD22 LEU A 64 25.517 -3.490 14.560 1.00 3.54 H new ATOM 0 HD23 LEU A 64 24.839 -1.914 15.033 1.00 3.54 H new ATOM 823 N ASN A 65 27.861 -1.082 18.614 1.00 23.23 N ATOM 824 CA ASN A 65 28.689 -1.091 19.815 1.00 12.02 C ATOM 825 C ASN A 65 28.088 -2.001 20.883 1.00 44.32 C ATOM 826 O ASN A 65 28.811 -2.676 21.616 1.00 44.03 O ATOM 827 CB ASN A 65 28.841 0.329 20.366 1.00 73.55 C ATOM 828 CG ASN A 65 29.797 1.169 19.541 1.00 32.13 C ATOM 829 OD1 ASN A 65 30.975 1.295 19.874 1.00 23.14 O ATOM 830 ND2 ASN A 65 29.292 1.749 18.459 1.00 71.03 N ATOM 0 H ASN A 65 27.575 -0.153 18.305 1.00 23.23 H new ATOM 0 HA ASN A 65 29.672 -1.476 19.545 1.00 12.02 H new ATOM 0 HB2 ASN A 65 27.865 0.813 20.391 1.00 73.55 H new ATOM 0 HB3 ASN A 65 29.199 0.281 21.394 1.00 73.55 H new ATOM 0 HD21 ASN A 65 29.887 2.327 17.865 1.00 71.03 H new ATOM 0 HD22 ASN A 65 28.309 1.617 18.221 1.00 71.03 H new ATOM 837 N ASP A 66 26.763 -2.013 20.964 1.00 74.31 N ATOM 838 CA ASP A 66 26.064 -2.841 21.940 1.00 21.23 C ATOM 839 C ASP A 66 26.363 -4.320 21.713 1.00 45.44 C ATOM 840 O ASP A 66 26.676 -5.052 22.652 1.00 44.23 O ATOM 841 CB ASP A 66 24.556 -2.596 21.864 1.00 44.45 C ATOM 842 CG ASP A 66 24.004 -1.983 23.136 1.00 70.44 C ATOM 843 OD1 ASP A 66 23.813 -2.729 24.119 1.00 65.55 O ATOM 844 OD2 ASP A 66 23.761 -0.758 23.148 1.00 23.21 O ATOM 0 H ASP A 66 26.151 -1.459 20.366 1.00 74.31 H new ATOM 0 HA ASP A 66 26.419 -2.565 22.933 1.00 21.23 H new ATOM 0 HB2 ASP A 66 24.340 -1.937 21.023 1.00 44.45 H new ATOM 0 HB3 ASP A 66 24.047 -3.540 21.668 1.00 44.45 H new ATOM 849 N TYR A 67 26.264 -4.752 20.461 1.00 43.24 N ATOM 850 CA TYR A 67 26.521 -6.144 20.110 1.00 51.31 C ATOM 851 C TYR A 67 28.016 -6.447 20.143 1.00 33.24 C ATOM 852 O TYR A 67 28.426 -7.571 20.433 1.00 62.44 O ATOM 853 CB TYR A 67 25.957 -6.454 18.722 1.00 21.23 C ATOM 854 CG TYR A 67 27.022 -6.710 17.679 1.00 14.54 C ATOM 855 CD1 TYR A 67 27.628 -7.955 17.567 1.00 55.32 C ATOM 856 CD2 TYR A 67 27.421 -5.705 16.806 1.00 73.43 C ATOM 857 CE1 TYR A 67 28.601 -8.192 16.616 1.00 41.11 C ATOM 858 CE2 TYR A 67 28.392 -5.934 15.851 1.00 64.13 C ATOM 859 CZ TYR A 67 28.980 -7.179 15.760 1.00 11.31 C ATOM 860 OH TYR A 67 29.948 -7.412 14.811 1.00 43.54 O ATOM 0 H TYR A 67 26.008 -4.159 19.672 1.00 43.24 H new ATOM 0 HA TYR A 67 26.024 -6.776 20.846 1.00 51.31 H new ATOM 0 HB2 TYR A 67 25.309 -7.328 18.789 1.00 21.23 H new ATOM 0 HB3 TYR A 67 25.335 -5.620 18.397 1.00 21.23 H new ATOM 0 HD1 TYR A 67 27.333 -8.751 18.235 1.00 55.32 H new ATOM 0 HD2 TYR A 67 26.964 -4.729 16.876 1.00 73.43 H new ATOM 0 HE1 TYR A 67 29.063 -9.166 16.543 1.00 41.11 H new ATOM 0 HE2 TYR A 67 28.690 -5.143 15.179 1.00 64.13 H new ATOM 0 HH TYR A 67 30.601 -8.054 15.160 1.00 43.54 H new ATOM 870 N TYR A 68 28.825 -5.436 19.846 1.00 35.40 N ATOM 871 CA TYR A 68 30.274 -5.594 19.840 1.00 40.32 C ATOM 872 C TYR A 68 30.756 -6.255 21.127 1.00 33.25 C ATOM 873 O TYR A 68 31.732 -7.005 21.126 1.00 52.41 O ATOM 874 CB TYR A 68 30.955 -4.235 19.666 1.00 72.03 C ATOM 875 CG TYR A 68 31.439 -3.976 18.257 1.00 74.22 C ATOM 876 CD1 TYR A 68 32.533 -4.659 17.741 1.00 60.52 C ATOM 877 CD2 TYR A 68 30.802 -3.048 17.442 1.00 62.20 C ATOM 878 CE1 TYR A 68 32.979 -4.426 16.454 1.00 1.03 C ATOM 879 CE2 TYR A 68 31.240 -2.809 16.154 1.00 65.31 C ATOM 880 CZ TYR A 68 32.329 -3.500 15.665 1.00 63.43 C ATOM 881 OH TYR A 68 32.770 -3.264 14.383 1.00 72.24 O ATOM 0 H TYR A 68 28.502 -4.499 19.606 1.00 35.40 H new ATOM 0 HA TYR A 68 30.540 -6.237 19.001 1.00 40.32 H new ATOM 0 HB2 TYR A 68 30.256 -3.449 19.951 1.00 72.03 H new ATOM 0 HB3 TYR A 68 31.802 -4.172 20.349 1.00 72.03 H new ATOM 0 HD1 TYR A 68 33.044 -5.385 18.356 1.00 60.52 H new ATOM 0 HD2 TYR A 68 29.950 -2.504 17.822 1.00 62.20 H new ATOM 0 HE1 TYR A 68 33.831 -4.966 16.068 1.00 1.03 H new ATOM 0 HE2 TYR A 68 30.733 -2.085 15.533 1.00 65.31 H new ATOM 0 HH TYR A 68 32.203 -2.585 13.962 1.00 72.24 H new ATOM 891 N ALA A 69 30.063 -5.972 22.225 1.00 34.15 N ATOM 892 CA ALA A 69 30.417 -6.541 23.520 1.00 15.31 C ATOM 893 C ALA A 69 30.500 -8.062 23.447 1.00 3.54 C ATOM 894 O ALA A 69 31.271 -8.687 24.177 1.00 13.22 O ATOM 895 CB ALA A 69 29.408 -6.116 24.577 1.00 53.42 C ATOM 0 H ALA A 69 29.253 -5.352 22.244 1.00 34.15 H new ATOM 0 HA ALA A 69 31.400 -6.162 23.799 1.00 15.31 H new ATOM 0 HB1 ALA A 69 29.685 -6.548 25.539 1.00 53.42 H new ATOM 0 HB2 ALA A 69 29.400 -5.029 24.656 1.00 53.42 H new ATOM 0 HB3 ALA A 69 28.415 -6.466 24.294 1.00 53.42 H new ATOM 901 N LEU A 70 29.703 -8.652 22.564 1.00 40.53 N ATOM 902 CA LEU A 70 29.686 -10.101 22.396 1.00 45.40 C ATOM 903 C LEU A 70 31.055 -10.614 21.961 1.00 63.12 C ATOM 904 O LEU A 70 31.354 -11.802 22.087 1.00 51.12 O ATOM 905 CB LEU A 70 28.628 -10.503 21.368 1.00 52.33 C ATOM 906 CG LEU A 70 28.174 -11.963 21.407 1.00 45.52 C ATOM 907 CD1 LEU A 70 26.712 -12.057 21.814 1.00 41.44 C ATOM 908 CD2 LEU A 70 28.398 -12.627 20.056 1.00 0.21 C ATOM 0 H LEU A 70 29.059 -8.149 21.953 1.00 40.53 H new ATOM 0 HA LEU A 70 29.438 -10.551 23.357 1.00 45.40 H new ATOM 0 HB2 LEU A 70 27.754 -9.868 21.509 1.00 52.33 H new ATOM 0 HB3 LEU A 70 29.019 -10.291 20.373 1.00 52.33 H new ATOM 0 HG LEU A 70 28.771 -12.490 22.152 1.00 45.52 H new ATOM 0 HD11 LEU A 70 26.407 -13.103 21.836 1.00 41.44 H new ATOM 0 HD12 LEU A 70 26.581 -11.620 22.804 1.00 41.44 H new ATOM 0 HD13 LEU A 70 26.098 -11.515 21.094 1.00 41.44 H new ATOM 0 HD21 LEU A 70 28.069 -13.665 20.102 1.00 0.21 H new ATOM 0 HD22 LEU A 70 27.827 -12.099 19.292 1.00 0.21 H new ATOM 0 HD23 LEU A 70 29.458 -12.593 19.805 1.00 0.21 H new ATOM 920 N LYS A 71 31.885 -9.711 21.450 1.00 42.10 N ATOM 921 CA LYS A 71 33.224 -10.070 20.999 1.00 24.21 C ATOM 922 C LYS A 71 33.963 -10.868 22.069 1.00 1.32 C ATOM 923 O LYS A 71 34.770 -11.745 21.758 1.00 53.30 O ATOM 924 CB LYS A 71 34.020 -8.812 20.645 1.00 5.03 C ATOM 925 CG LYS A 71 34.424 -7.987 21.855 1.00 33.12 C ATOM 926 CD LYS A 71 35.316 -6.821 21.463 1.00 20.40 C ATOM 927 CE LYS A 71 34.499 -5.623 21.006 1.00 74.04 C ATOM 928 NZ LYS A 71 33.994 -4.824 22.156 1.00 3.34 N ATOM 0 H LYS A 71 31.653 -8.724 21.338 1.00 42.10 H new ATOM 0 HA LYS A 71 33.126 -10.692 20.110 1.00 24.21 H new ATOM 0 HB2 LYS A 71 34.917 -9.102 20.098 1.00 5.03 H new ATOM 0 HB3 LYS A 71 33.424 -8.192 19.975 1.00 5.03 H new ATOM 0 HG2 LYS A 71 33.531 -7.611 22.355 1.00 33.12 H new ATOM 0 HG3 LYS A 71 34.947 -8.621 22.571 1.00 33.12 H new ATOM 0 HD2 LYS A 71 35.938 -6.536 22.312 1.00 20.40 H new ATOM 0 HD3 LYS A 71 35.990 -7.130 20.664 1.00 20.40 H new ATOM 0 HE2 LYS A 71 35.112 -4.989 20.365 1.00 74.04 H new ATOM 0 HE3 LYS A 71 33.657 -5.966 20.405 1.00 74.04 H new ATOM 0 HZ1 LYS A 71 33.442 -4.017 21.802 1.00 3.34 H new ATOM 0 HZ2 LYS A 71 33.389 -5.421 22.755 1.00 3.34 H new ATOM 0 HZ3 LYS A 71 34.798 -4.475 22.716 1.00 3.34 H new ATOM 942 N HIS A 72 33.681 -10.559 23.331 1.00 5.20 N ATOM 943 CA HIS A 72 34.318 -11.249 24.447 1.00 1.24 C ATOM 944 C HIS A 72 34.200 -12.762 24.289 1.00 5.32 C ATOM 945 O HIS A 72 35.121 -13.505 24.629 1.00 62.14 O ATOM 946 CB HIS A 72 33.688 -10.812 25.770 1.00 22.13 C ATOM 947 CG HIS A 72 34.684 -10.317 26.773 1.00 2.23 C ATOM 948 ND1 HIS A 72 35.414 -9.159 26.601 1.00 32.52 N ATOM 949 CD2 HIS A 72 35.069 -10.828 27.966 1.00 34.21 C ATOM 950 CE1 HIS A 72 36.205 -8.981 27.644 1.00 62.32 C ATOM 951 NE2 HIS A 72 36.015 -9.980 28.487 1.00 54.00 N ATOM 0 H HIS A 72 33.016 -9.836 23.606 1.00 5.20 H new ATOM 0 HA HIS A 72 35.375 -10.983 24.451 1.00 1.24 H new ATOM 0 HB2 HIS A 72 32.960 -10.025 25.574 1.00 22.13 H new ATOM 0 HB3 HIS A 72 33.141 -11.652 26.198 1.00 22.13 H new ATOM 0 HD2 HIS A 72 34.700 -11.734 28.423 1.00 34.21 H new ATOM 0 HE1 HIS A 72 36.891 -8.158 27.784 1.00 62.32 H new ATOM 0 HE2 HIS A 72 36.493 -10.102 29.380 1.00 54.00 H new ATOM 959 N VAL A 73 33.061 -13.211 23.772 1.00 22.14 N ATOM 960 CA VAL A 73 32.823 -14.635 23.569 1.00 22.10 C ATOM 961 C VAL A 73 32.933 -15.006 22.094 1.00 2.43 C ATOM 962 O VAL A 73 32.025 -14.766 21.299 1.00 55.21 O ATOM 963 CB VAL A 73 31.435 -15.052 24.090 1.00 72.05 C ATOM 964 CG1 VAL A 73 31.175 -16.522 23.799 1.00 21.45 C ATOM 965 CG2 VAL A 73 31.316 -14.765 25.579 1.00 43.13 C ATOM 0 H VAL A 73 32.289 -12.609 23.486 1.00 22.14 H new ATOM 0 HA VAL A 73 33.589 -15.167 24.133 1.00 22.10 H new ATOM 0 HB VAL A 73 30.679 -14.464 23.569 1.00 72.05 H new ATOM 0 HG11 VAL A 73 30.190 -16.798 24.174 1.00 21.45 H new ATOM 0 HG12 VAL A 73 31.214 -16.692 22.723 1.00 21.45 H new ATOM 0 HG13 VAL A 73 31.934 -17.130 24.291 1.00 21.45 H new ATOM 0 HG21 VAL A 73 30.329 -15.066 25.930 1.00 43.13 H new ATOM 0 HG22 VAL A 73 32.079 -15.325 26.120 1.00 43.13 H new ATOM 0 HG23 VAL A 73 31.454 -13.698 25.756 1.00 43.13 H new ATOM 975 N PRO A 74 34.073 -15.605 21.718 1.00 34.13 N ATOM 976 CA PRO A 74 34.329 -16.023 20.337 1.00 53.03 C ATOM 977 C PRO A 74 33.456 -17.200 19.916 1.00 75.03 C ATOM 978 O PRO A 74 33.146 -17.367 18.736 1.00 43.53 O ATOM 979 CB PRO A 74 35.804 -16.432 20.357 1.00 13.24 C ATOM 980 CG PRO A 74 36.072 -16.812 21.773 1.00 75.23 C ATOM 981 CD PRO A 74 35.198 -15.922 22.613 1.00 4.11 C ATOM 0 HA PRO A 74 34.102 -15.231 19.623 1.00 53.03 H new ATOM 0 HB2 PRO A 74 35.993 -17.266 19.681 1.00 13.24 H new ATOM 0 HB3 PRO A 74 36.447 -15.611 20.039 1.00 13.24 H new ATOM 0 HG2 PRO A 74 35.839 -17.863 21.946 1.00 75.23 H new ATOM 0 HG3 PRO A 74 37.124 -16.673 22.022 1.00 75.23 H new ATOM 0 HD2 PRO A 74 34.861 -16.428 23.518 1.00 4.11 H new ATOM 0 HD3 PRO A 74 35.726 -15.022 22.929 1.00 4.11 H new ATOM 989 N LYS A 75 33.060 -18.015 20.888 1.00 50.20 N ATOM 990 CA LYS A 75 32.220 -19.176 20.619 1.00 24.24 C ATOM 991 C LYS A 75 30.954 -18.771 19.872 1.00 13.14 C ATOM 992 O LYS A 75 30.373 -19.568 19.135 1.00 23.43 O ATOM 993 CB LYS A 75 31.851 -19.878 21.928 1.00 11.33 C ATOM 994 CG LYS A 75 33.019 -20.592 22.586 1.00 33.22 C ATOM 995 CD LYS A 75 33.423 -21.833 21.808 1.00 31.34 C ATOM 996 CE LYS A 75 34.886 -21.780 21.395 1.00 32.43 C ATOM 997 NZ LYS A 75 35.274 -22.962 20.576 1.00 52.42 N ATOM 0 H LYS A 75 33.308 -17.893 21.870 1.00 50.20 H new ATOM 0 HA LYS A 75 32.785 -19.865 19.991 1.00 24.24 H new ATOM 0 HB2 LYS A 75 31.447 -19.142 22.624 1.00 11.33 H new ATOM 0 HB3 LYS A 75 31.058 -20.600 21.732 1.00 11.33 H new ATOM 0 HG2 LYS A 75 33.869 -19.913 22.657 1.00 33.22 H new ATOM 0 HG3 LYS A 75 32.749 -20.872 23.604 1.00 33.22 H new ATOM 0 HD2 LYS A 75 33.248 -22.719 22.418 1.00 31.34 H new ATOM 0 HD3 LYS A 75 32.797 -21.928 20.921 1.00 31.34 H new ATOM 0 HE2 LYS A 75 35.070 -20.868 20.827 1.00 32.43 H new ATOM 0 HE3 LYS A 75 35.513 -21.733 22.285 1.00 32.43 H new ATOM 0 HZ1 LYS A 75 36.278 -22.889 20.314 1.00 52.42 H new ATOM 0 HZ2 LYS A 75 35.122 -23.831 21.127 1.00 52.42 H new ATOM 0 HZ3 LYS A 75 34.693 -22.993 19.714 1.00 52.42 H new ATOM 1011 N CYS A 76 30.531 -17.526 20.066 1.00 35.34 N ATOM 1012 CA CYS A 76 29.333 -17.014 19.411 1.00 64.13 C ATOM 1013 C CYS A 76 29.668 -15.816 18.527 1.00 72.25 C ATOM 1014 O CYS A 76 29.028 -15.592 17.499 1.00 33.41 O ATOM 1015 CB CYS A 76 28.286 -16.616 20.453 1.00 63.31 C ATOM 1016 SG CYS A 76 26.627 -17.298 20.138 1.00 71.55 S ATOM 0 H CYS A 76 31.000 -16.853 20.672 1.00 35.34 H new ATOM 0 HA CYS A 76 28.926 -17.806 18.782 1.00 64.13 H new ATOM 0 HB2 CYS A 76 28.623 -16.947 21.435 1.00 63.31 H new ATOM 0 HB3 CYS A 76 28.219 -15.529 20.489 1.00 63.31 H new ATOM 1021 N TRP A 77 30.674 -15.051 18.933 1.00 12.44 N ATOM 1022 CA TRP A 77 31.094 -13.876 18.178 1.00 14.52 C ATOM 1023 C TRP A 77 31.548 -14.264 16.775 1.00 12.44 C ATOM 1024 O TRP A 77 31.100 -13.685 15.786 1.00 73.30 O ATOM 1025 CB TRP A 77 32.223 -13.150 18.911 1.00 43.21 C ATOM 1026 CG TRP A 77 33.114 -12.363 17.998 1.00 64.30 C ATOM 1027 CD1 TRP A 77 34.478 -12.410 17.943 1.00 22.14 C ATOM 1028 CD2 TRP A 77 32.704 -11.411 17.010 1.00 32.44 C ATOM 1029 NE1 TRP A 77 34.940 -11.544 16.981 1.00 22.54 N ATOM 1030 CE2 TRP A 77 33.872 -10.921 16.394 1.00 15.41 C ATOM 1031 CE3 TRP A 77 31.464 -10.928 16.585 1.00 13.43 C ATOM 1032 CZ2 TRP A 77 33.833 -9.970 15.378 1.00 50.33 C ATOM 1033 CZ3 TRP A 77 31.427 -9.984 15.577 1.00 42.33 C ATOM 1034 CH2 TRP A 77 32.605 -9.513 14.981 1.00 23.45 C ATOM 0 H TRP A 77 31.214 -15.223 19.781 1.00 12.44 H new ATOM 0 HA TRP A 77 30.238 -13.206 18.090 1.00 14.52 H new ATOM 0 HB2 TRP A 77 31.792 -12.479 19.654 1.00 43.21 H new ATOM 0 HB3 TRP A 77 32.824 -13.881 19.452 1.00 43.21 H new ATOM 0 HD1 TRP A 77 35.102 -13.036 18.564 1.00 22.14 H new ATOM 0 HE1 TRP A 77 35.920 -11.390 16.743 1.00 22.54 H new ATOM 0 HE3 TRP A 77 30.551 -11.286 17.036 1.00 13.43 H new ATOM 0 HZ2 TRP A 77 34.740 -9.605 14.919 1.00 50.33 H new ATOM 0 HZ3 TRP A 77 30.474 -9.602 15.242 1.00 42.33 H new ATOM 0 HH2 TRP A 77 32.543 -8.776 14.194 1.00 23.45 H new ATOM 1045 N ALA A 78 32.439 -15.246 16.697 1.00 25.04 N ATOM 1046 CA ALA A 78 32.952 -15.712 15.415 1.00 60.30 C ATOM 1047 C ALA A 78 31.847 -16.355 14.583 1.00 24.22 C ATOM 1048 O ALA A 78 32.020 -16.602 13.390 1.00 53.20 O ATOM 1049 CB ALA A 78 34.094 -16.695 15.629 1.00 41.32 C ATOM 0 H ALA A 78 32.821 -15.735 17.507 1.00 25.04 H new ATOM 0 HA ALA A 78 33.329 -14.849 14.867 1.00 60.30 H new ATOM 0 HB1 ALA A 78 34.467 -17.035 14.663 1.00 41.32 H new ATOM 0 HB2 ALA A 78 34.899 -16.204 16.177 1.00 41.32 H new ATOM 0 HB3 ALA A 78 33.735 -17.551 16.201 1.00 41.32 H new ATOM 1055 N ALA A 79 30.713 -16.625 15.221 1.00 3.34 N ATOM 1056 CA ALA A 79 29.580 -17.238 14.540 1.00 42.14 C ATOM 1057 C ALA A 79 28.815 -16.210 13.713 1.00 11.23 C ATOM 1058 O ALA A 79 28.323 -16.515 12.627 1.00 73.33 O ATOM 1059 CB ALA A 79 28.654 -17.903 15.548 1.00 44.44 C ATOM 0 H ALA A 79 30.555 -16.429 16.209 1.00 3.34 H new ATOM 0 HA ALA A 79 29.965 -17.999 13.861 1.00 42.14 H new ATOM 0 HB1 ALA A 79 27.812 -18.357 15.025 1.00 44.44 H new ATOM 0 HB2 ALA A 79 29.201 -18.673 16.092 1.00 44.44 H new ATOM 0 HB3 ALA A 79 28.285 -17.156 16.251 1.00 44.44 H new ATOM 1065 N ILE A 80 28.718 -14.992 14.235 1.00 1.22 N ATOM 1066 CA ILE A 80 28.013 -13.919 13.545 1.00 73.33 C ATOM 1067 C ILE A 80 28.960 -13.124 12.652 1.00 15.03 C ATOM 1068 O ILE A 80 28.621 -12.037 12.185 1.00 33.02 O ATOM 1069 CB ILE A 80 27.335 -12.959 14.540 1.00 3.20 C ATOM 1070 CG1 ILE A 80 26.213 -12.182 13.849 1.00 11.31 C ATOM 1071 CG2 ILE A 80 28.359 -12.004 15.135 1.00 24.02 C ATOM 1072 CD1 ILE A 80 25.536 -11.170 14.748 1.00 63.43 C ATOM 0 H ILE A 80 29.119 -14.724 15.134 1.00 1.22 H new ATOM 0 HA ILE A 80 27.247 -14.390 12.929 1.00 73.33 H new ATOM 0 HB ILE A 80 26.900 -13.546 15.349 1.00 3.20 H new ATOM 0 HG12 ILE A 80 26.621 -11.668 12.979 1.00 11.31 H new ATOM 0 HG13 ILE A 80 25.467 -12.887 13.482 1.00 11.31 H new ATOM 0 HG21 ILE A 80 27.865 -11.332 15.836 1.00 24.02 H new ATOM 0 HG22 ILE A 80 29.127 -12.574 15.658 1.00 24.02 H new ATOM 0 HG23 ILE A 80 28.820 -11.421 14.337 1.00 24.02 H new ATOM 0 HD11 ILE A 80 24.751 -10.657 14.192 1.00 63.43 H new ATOM 0 HD12 ILE A 80 25.098 -11.681 15.606 1.00 63.43 H new ATOM 0 HD13 ILE A 80 26.270 -10.443 15.095 1.00 63.43 H new ATOM 1084 N GLN A 81 30.146 -13.675 12.419 1.00 44.30 N ATOM 1085 CA GLN A 81 31.142 -13.017 11.581 1.00 11.41 C ATOM 1086 C GLN A 81 30.623 -12.836 10.158 1.00 32.35 C ATOM 1087 O GLN A 81 30.498 -11.720 9.654 1.00 62.31 O ATOM 1088 CB GLN A 81 32.440 -13.825 11.564 1.00 22.43 C ATOM 1089 CG GLN A 81 33.636 -13.069 12.121 1.00 54.23 C ATOM 1090 CD GLN A 81 34.741 -13.992 12.595 1.00 41.54 C ATOM 1091 OE1 GLN A 81 35.152 -14.905 11.879 1.00 64.21 O ATOM 1092 NE2 GLN A 81 35.229 -13.757 13.807 1.00 21.11 N ATOM 0 H GLN A 81 30.441 -14.575 12.798 1.00 44.30 H new ATOM 0 HA GLN A 81 31.341 -12.032 12.004 1.00 11.41 H new ATOM 0 HB2 GLN A 81 32.297 -14.738 12.142 1.00 22.43 H new ATOM 0 HB3 GLN A 81 32.657 -14.127 10.539 1.00 22.43 H new ATOM 0 HG2 GLN A 81 34.029 -12.402 11.353 1.00 54.23 H new ATOM 0 HG3 GLN A 81 33.310 -12.442 12.951 1.00 54.23 H new ATOM 0 HE21 GLN A 81 34.858 -12.989 14.366 1.00 21.11 H new ATOM 0 HE22 GLN A 81 35.975 -14.345 14.179 1.00 21.11 H new ATOM 1101 N PRO A 82 30.313 -13.960 9.494 1.00 15.35 N ATOM 1102 CA PRO A 82 29.802 -13.952 8.121 1.00 54.45 C ATOM 1103 C PRO A 82 28.386 -13.392 8.032 1.00 41.43 C ATOM 1104 O PRO A 82 27.971 -12.888 6.988 1.00 43.04 O ATOM 1105 CB PRO A 82 29.817 -15.431 7.728 1.00 40.04 C ATOM 1106 CG PRO A 82 29.715 -16.167 9.019 1.00 53.11 C ATOM 1107 CD PRO A 82 30.436 -15.324 10.034 1.00 21.21 C ATOM 0 HA PRO A 82 30.400 -13.317 7.468 1.00 54.45 H new ATOM 0 HB2 PRO A 82 28.985 -15.673 7.067 1.00 40.04 H new ATOM 0 HB3 PRO A 82 30.732 -15.690 7.196 1.00 40.04 H new ATOM 0 HG2 PRO A 82 28.673 -16.314 9.303 1.00 53.11 H new ATOM 0 HG3 PRO A 82 30.167 -17.156 8.941 1.00 53.11 H new ATOM 0 HD2 PRO A 82 29.982 -15.408 11.021 1.00 21.21 H new ATOM 0 HD3 PRO A 82 31.479 -15.623 10.137 1.00 21.21 H new ATOM 1115 N PHE A 83 27.649 -13.482 9.133 1.00 34.45 N ATOM 1116 CA PHE A 83 26.279 -12.985 9.179 1.00 14.15 C ATOM 1117 C PHE A 83 26.254 -11.485 9.457 1.00 53.43 C ATOM 1118 O PHE A 83 25.298 -10.792 9.103 1.00 23.04 O ATOM 1119 CB PHE A 83 25.480 -13.727 10.253 1.00 0.44 C ATOM 1120 CG PHE A 83 24.010 -13.419 10.227 1.00 2.32 C ATOM 1121 CD1 PHE A 83 23.373 -13.120 9.034 1.00 74.33 C ATOM 1122 CD2 PHE A 83 23.266 -13.428 11.396 1.00 71.12 C ATOM 1123 CE1 PHE A 83 22.020 -12.836 9.007 1.00 4.21 C ATOM 1124 CE2 PHE A 83 21.913 -13.145 11.375 1.00 2.33 C ATOM 1125 CZ PHE A 83 21.290 -12.849 10.179 1.00 34.21 C ATOM 0 H PHE A 83 27.977 -13.895 10.006 1.00 34.45 H new ATOM 0 HA PHE A 83 25.821 -13.165 8.206 1.00 14.15 H new ATOM 0 HB2 PHE A 83 25.621 -14.800 10.123 1.00 0.44 H new ATOM 0 HB3 PHE A 83 25.880 -13.470 11.234 1.00 0.44 H new ATOM 0 HD1 PHE A 83 23.939 -13.109 8.115 1.00 74.33 H new ATOM 0 HD2 PHE A 83 23.749 -13.659 12.334 1.00 71.12 H new ATOM 0 HE1 PHE A 83 21.535 -12.604 8.070 1.00 4.21 H new ATOM 0 HE2 PHE A 83 21.344 -13.155 12.293 1.00 2.33 H new ATOM 0 HZ PHE A 83 20.233 -12.628 10.160 1.00 34.21 H new ATOM 1135 N LEU A 84 27.310 -10.989 10.092 1.00 41.04 N ATOM 1136 CA LEU A 84 27.411 -9.571 10.418 1.00 52.45 C ATOM 1137 C LEU A 84 27.040 -8.708 9.216 1.00 53.14 C ATOM 1138 O LEU A 84 26.500 -7.611 9.368 1.00 64.44 O ATOM 1139 CB LEU A 84 28.828 -9.234 10.883 1.00 4.44 C ATOM 1140 CG LEU A 84 28.935 -8.415 12.170 1.00 21.15 C ATOM 1141 CD1 LEU A 84 28.396 -7.009 11.955 1.00 32.55 C ATOM 1142 CD2 LEU A 84 28.192 -9.106 13.305 1.00 41.42 C ATOM 0 H LEU A 84 28.109 -11.548 10.392 1.00 41.04 H new ATOM 0 HA LEU A 84 26.710 -9.359 11.225 1.00 52.45 H new ATOM 0 HB2 LEU A 84 29.374 -10.167 11.023 1.00 4.44 H new ATOM 0 HB3 LEU A 84 29.330 -8.687 10.085 1.00 4.44 H new ATOM 0 HG LEU A 84 29.987 -8.340 12.444 1.00 21.15 H new ATOM 0 HD11 LEU A 84 28.480 -6.441 12.882 1.00 32.55 H new ATOM 0 HD12 LEU A 84 28.972 -6.514 11.173 1.00 32.55 H new ATOM 0 HD13 LEU A 84 27.349 -7.062 11.656 1.00 32.55 H new ATOM 0 HD21 LEU A 84 28.279 -8.509 14.213 1.00 41.42 H new ATOM 0 HD22 LEU A 84 27.140 -9.212 13.040 1.00 41.42 H new ATOM 0 HD23 LEU A 84 28.625 -10.092 13.476 1.00 41.42 H new ATOM 1154 N CYS A 85 27.330 -9.211 8.021 1.00 61.15 N ATOM 1155 CA CYS A 85 27.026 -8.488 6.792 1.00 71.45 C ATOM 1156 C CYS A 85 25.538 -8.576 6.463 1.00 63.42 C ATOM 1157 O CYS A 85 24.911 -7.579 6.107 1.00 33.43 O ATOM 1158 CB CYS A 85 27.850 -9.047 5.630 1.00 40.54 C ATOM 1159 SG CYS A 85 29.588 -9.393 6.050 1.00 44.21 S ATOM 0 H CYS A 85 27.776 -10.117 7.877 1.00 61.15 H new ATOM 0 HA CYS A 85 27.286 -7.440 6.942 1.00 71.45 H new ATOM 0 HB2 CYS A 85 27.383 -9.966 5.277 1.00 40.54 H new ATOM 0 HB3 CYS A 85 27.822 -8.337 4.804 1.00 40.54 H new ATOM 1164 N ALA A 86 24.981 -9.777 6.585 1.00 41.33 N ATOM 1165 CA ALA A 86 23.568 -9.995 6.303 1.00 33.02 C ATOM 1166 C ALA A 86 22.705 -9.620 7.503 1.00 34.32 C ATOM 1167 O ALA A 86 21.508 -9.909 7.535 1.00 64.32 O ATOM 1168 CB ALA A 86 23.326 -11.444 5.909 1.00 72.44 C ATOM 0 H ALA A 86 25.487 -10.613 6.877 1.00 41.33 H new ATOM 0 HA ALA A 86 23.286 -9.351 5.470 1.00 33.02 H new ATOM 0 HB1 ALA A 86 22.266 -11.592 5.701 1.00 72.44 H new ATOM 0 HB2 ALA A 86 23.907 -11.681 5.018 1.00 72.44 H new ATOM 0 HB3 ALA A 86 23.631 -12.099 6.725 1.00 72.44 H new ATOM 1174 N VAL A 87 23.319 -8.976 8.490 1.00 1.31 N ATOM 1175 CA VAL A 87 22.607 -8.561 9.693 1.00 74.13 C ATOM 1176 C VAL A 87 22.308 -7.066 9.667 1.00 71.45 C ATOM 1177 O VAL A 87 21.166 -6.647 9.855 1.00 74.22 O ATOM 1178 CB VAL A 87 23.412 -8.890 10.964 1.00 72.43 C ATOM 1179 CG1 VAL A 87 22.796 -8.211 12.177 1.00 11.22 C ATOM 1180 CG2 VAL A 87 23.491 -10.396 11.169 1.00 42.35 C ATOM 0 H VAL A 87 24.309 -8.730 8.480 1.00 1.31 H new ATOM 0 HA VAL A 87 21.669 -9.116 9.712 1.00 74.13 H new ATOM 0 HB VAL A 87 24.426 -8.509 10.840 1.00 72.43 H new ATOM 0 HG11 VAL A 87 23.378 -8.455 13.065 1.00 11.22 H new ATOM 0 HG12 VAL A 87 22.796 -7.131 12.029 1.00 11.22 H new ATOM 0 HG13 VAL A 87 21.771 -8.559 12.308 1.00 11.22 H new ATOM 0 HG21 VAL A 87 24.063 -10.611 12.071 1.00 42.35 H new ATOM 0 HG22 VAL A 87 22.485 -10.802 11.272 1.00 42.35 H new ATOM 0 HG23 VAL A 87 23.982 -10.855 10.311 1.00 42.35 H new ATOM 1190 N PHE A 88 23.342 -6.266 9.431 1.00 2.14 N ATOM 1191 CA PHE A 88 23.191 -4.816 9.381 1.00 62.31 C ATOM 1192 C PHE A 88 23.395 -4.297 7.960 1.00 21.55 C ATOM 1193 O PHE A 88 23.010 -3.174 7.636 1.00 72.01 O ATOM 1194 CB PHE A 88 24.187 -4.145 10.329 1.00 60.20 C ATOM 1195 CG PHE A 88 24.347 -4.865 11.638 1.00 41.34 C ATOM 1196 CD1 PHE A 88 25.268 -5.891 11.771 1.00 71.42 C ATOM 1197 CD2 PHE A 88 23.576 -4.515 12.735 1.00 43.35 C ATOM 1198 CE1 PHE A 88 25.418 -6.555 12.974 1.00 60.42 C ATOM 1199 CE2 PHE A 88 23.722 -5.175 13.940 1.00 3.30 C ATOM 1200 CZ PHE A 88 24.643 -6.197 14.059 1.00 23.15 C ATOM 0 H PHE A 88 24.294 -6.597 9.271 1.00 2.14 H new ATOM 0 HA PHE A 88 22.177 -4.570 9.697 1.00 62.31 H new ATOM 0 HB2 PHE A 88 25.158 -4.081 9.837 1.00 60.20 H new ATOM 0 HB3 PHE A 88 23.860 -3.123 10.523 1.00 60.20 H new ATOM 0 HD1 PHE A 88 25.876 -6.175 10.925 1.00 71.42 H new ATOM 0 HD2 PHE A 88 22.853 -3.718 12.647 1.00 43.35 H new ATOM 0 HE1 PHE A 88 26.140 -7.353 13.065 1.00 60.42 H new ATOM 0 HE2 PHE A 88 23.116 -4.892 14.788 1.00 3.30 H new ATOM 0 HZ PHE A 88 24.757 -6.716 15.000 1.00 23.15 H new ATOM 1210 N LYS A 89 24.004 -5.124 7.117 1.00 3.20 N ATOM 1211 CA LYS A 89 24.260 -4.751 5.731 1.00 62.23 C ATOM 1212 C LYS A 89 23.524 -5.682 4.772 1.00 15.35 C ATOM 1213 O LYS A 89 24.130 -6.460 4.036 1.00 52.01 O ATOM 1214 CB LYS A 89 25.762 -4.788 5.440 1.00 2.31 C ATOM 1215 CG LYS A 89 26.615 -4.247 6.575 1.00 54.51 C ATOM 1216 CD LYS A 89 26.416 -2.751 6.757 1.00 64.10 C ATOM 1217 CE LYS A 89 27.056 -2.257 8.045 1.00 4.23 C ATOM 1218 NZ LYS A 89 28.423 -2.817 8.236 1.00 32.23 N ATOM 0 H LYS A 89 24.329 -6.057 7.370 1.00 3.20 H new ATOM 0 HA LYS A 89 23.891 -3.736 5.581 1.00 62.23 H new ATOM 0 HB2 LYS A 89 26.058 -5.816 5.232 1.00 2.31 H new ATOM 0 HB3 LYS A 89 25.963 -4.210 4.538 1.00 2.31 H new ATOM 0 HG2 LYS A 89 26.362 -4.764 7.500 1.00 54.51 H new ATOM 0 HG3 LYS A 89 27.666 -4.453 6.372 1.00 54.51 H new ATOM 0 HD2 LYS A 89 26.847 -2.220 5.908 1.00 64.10 H new ATOM 0 HD3 LYS A 89 25.350 -2.523 6.768 1.00 64.10 H new ATOM 0 HE2 LYS A 89 27.108 -1.168 8.030 1.00 4.23 H new ATOM 0 HE3 LYS A 89 26.428 -2.534 8.892 1.00 4.23 H new ATOM 0 HZ1 LYS A 89 28.926 -2.265 8.959 1.00 32.23 H new ATOM 0 HZ2 LYS A 89 28.352 -3.808 8.544 1.00 32.23 H new ATOM 0 HZ3 LYS A 89 28.946 -2.770 7.338 1.00 32.23 H new ATOM 1232 N PRO A 90 22.185 -5.600 4.779 1.00 33.54 N ATOM 1233 CA PRO A 90 21.337 -6.427 3.915 1.00 40.22 C ATOM 1234 C PRO A 90 21.451 -6.035 2.446 1.00 50.14 C ATOM 1235 O PRO A 90 22.095 -5.042 2.105 1.00 33.21 O ATOM 1236 CB PRO A 90 19.924 -6.150 4.434 1.00 10.12 C ATOM 1237 CG PRO A 90 20.008 -4.801 5.061 1.00 42.14 C ATOM 1238 CD PRO A 90 21.395 -4.695 5.631 1.00 24.34 C ATOM 0 HA PRO A 90 21.620 -7.479 3.952 1.00 40.22 H new ATOM 0 HB2 PRO A 90 19.195 -6.165 3.624 1.00 10.12 H new ATOM 0 HB3 PRO A 90 19.613 -6.904 5.157 1.00 10.12 H new ATOM 0 HG2 PRO A 90 19.827 -4.017 4.326 1.00 42.14 H new ATOM 0 HG3 PRO A 90 19.256 -4.686 5.841 1.00 42.14 H new ATOM 0 HD2 PRO A 90 21.770 -3.673 5.587 1.00 24.34 H new ATOM 0 HD3 PRO A 90 21.424 -5.001 6.677 1.00 24.34 H new ATOM 1246 N LYS A 91 20.822 -6.820 1.578 1.00 33.31 N ATOM 1247 CA LYS A 91 20.850 -6.555 0.145 1.00 63.04 C ATOM 1248 C LYS A 91 19.654 -5.707 -0.276 1.00 20.22 C ATOM 1249 O LYS A 91 18.516 -6.178 -0.277 1.00 1.02 O ATOM 1250 CB LYS A 91 20.857 -7.870 -0.638 1.00 63.02 C ATOM 1251 CG LYS A 91 20.502 -7.706 -2.106 1.00 23.12 C ATOM 1252 CD LYS A 91 21.467 -8.466 -3.001 1.00 75.20 C ATOM 1253 CE LYS A 91 21.298 -8.075 -4.461 1.00 51.31 C ATOM 1254 NZ LYS A 91 22.600 -8.050 -5.183 1.00 24.13 N ATOM 0 H LYS A 91 20.286 -7.646 1.843 1.00 33.31 H new ATOM 0 HA LYS A 91 21.762 -6.001 -0.078 1.00 63.04 H new ATOM 0 HB2 LYS A 91 21.845 -8.324 -0.560 1.00 63.02 H new ATOM 0 HB3 LYS A 91 20.151 -8.561 -0.177 1.00 63.02 H new ATOM 0 HG2 LYS A 91 19.487 -8.063 -2.278 1.00 23.12 H new ATOM 0 HG3 LYS A 91 20.517 -6.648 -2.369 1.00 23.12 H new ATOM 0 HD2 LYS A 91 22.491 -8.266 -2.686 1.00 75.20 H new ATOM 0 HD3 LYS A 91 21.302 -9.538 -2.889 1.00 75.20 H new ATOM 0 HE2 LYS A 91 20.625 -8.779 -4.950 1.00 51.31 H new ATOM 0 HE3 LYS A 91 20.830 -7.092 -4.522 1.00 51.31 H new ATOM 0 HZ1 LYS A 91 22.442 -7.779 -6.175 1.00 24.13 H new ATOM 0 HZ2 LYS A 91 23.234 -7.359 -4.732 1.00 24.13 H new ATOM 0 HZ3 LYS A 91 23.035 -8.994 -5.147 1.00 24.13 H new ATOM 1268 N CYS A 92 19.919 -4.455 -0.634 1.00 75.31 N ATOM 1269 CA CYS A 92 18.864 -3.542 -1.058 1.00 5.31 C ATOM 1270 C CYS A 92 18.974 -3.240 -2.550 1.00 14.02 C ATOM 1271 O CYS A 92 20.070 -3.058 -3.077 1.00 42.23 O ATOM 1272 CB CYS A 92 18.936 -2.240 -0.257 1.00 20.33 C ATOM 1273 SG CYS A 92 18.606 -0.743 -1.240 1.00 14.32 S ATOM 0 H CYS A 92 20.855 -4.050 -0.639 1.00 75.31 H new ATOM 0 HA CYS A 92 17.904 -4.023 -0.872 1.00 5.31 H new ATOM 0 HB2 CYS A 92 18.218 -2.290 0.562 1.00 20.33 H new ATOM 0 HB3 CYS A 92 19.926 -2.156 0.192 1.00 20.33 H new ATOM 1278 N GLU A 93 17.828 -3.189 -3.223 1.00 3.21 N ATOM 1279 CA GLU A 93 17.796 -2.910 -4.654 1.00 12.32 C ATOM 1280 C GLU A 93 16.379 -2.575 -5.111 1.00 32.22 C ATOM 1281 O GLU A 93 15.419 -2.723 -4.354 1.00 73.15 O ATOM 1282 CB GLU A 93 18.328 -4.108 -5.442 1.00 21.41 C ATOM 1283 CG GLU A 93 17.446 -5.342 -5.343 1.00 41.34 C ATOM 1284 CD GLU A 93 17.705 -6.335 -6.460 1.00 54.51 C ATOM 1285 OE1 GLU A 93 18.731 -7.043 -6.399 1.00 42.43 O ATOM 1286 OE2 GLU A 93 16.879 -6.403 -7.395 1.00 22.11 O ATOM 0 H GLU A 93 16.911 -3.337 -2.801 1.00 3.21 H new ATOM 0 HA GLU A 93 18.434 -2.047 -4.844 1.00 12.32 H new ATOM 0 HB2 GLU A 93 18.429 -3.827 -6.490 1.00 21.41 H new ATOM 0 HB3 GLU A 93 19.326 -4.355 -5.081 1.00 21.41 H new ATOM 0 HG2 GLU A 93 17.615 -5.829 -4.383 1.00 41.34 H new ATOM 0 HG3 GLU A 93 16.399 -5.039 -5.367 1.00 41.34 H new ATOM 1293 N LYS A 94 16.256 -2.123 -6.354 1.00 50.40 N ATOM 1294 CA LYS A 94 14.958 -1.767 -6.914 1.00 53.15 C ATOM 1295 C LYS A 94 14.476 -2.834 -7.892 1.00 64.22 C ATOM 1296 O LYS A 94 14.993 -2.949 -9.004 1.00 40.31 O ATOM 1297 CB LYS A 94 15.038 -0.412 -7.621 1.00 42.11 C ATOM 1298 CG LYS A 94 14.260 0.687 -6.919 1.00 52.41 C ATOM 1299 CD LYS A 94 14.223 1.961 -7.747 1.00 71.34 C ATOM 1300 CE LYS A 94 15.621 2.506 -7.994 1.00 23.01 C ATOM 1301 NZ LYS A 94 15.719 3.954 -7.660 1.00 31.11 N ATOM 0 H LYS A 94 17.040 -1.994 -6.993 1.00 50.40 H new ATOM 0 HA LYS A 94 14.243 -1.701 -6.094 1.00 53.15 H new ATOM 0 HB2 LYS A 94 16.083 -0.113 -7.698 1.00 42.11 H new ATOM 0 HB3 LYS A 94 14.661 -0.520 -8.638 1.00 42.11 H new ATOM 0 HG2 LYS A 94 13.242 0.347 -6.727 1.00 52.41 H new ATOM 0 HG3 LYS A 94 14.715 0.895 -5.951 1.00 52.41 H new ATOM 0 HD2 LYS A 94 13.735 1.762 -8.701 1.00 71.34 H new ATOM 0 HD3 LYS A 94 13.624 2.713 -7.233 1.00 71.34 H new ATOM 0 HE2 LYS A 94 16.340 1.946 -7.396 1.00 23.01 H new ATOM 0 HE3 LYS A 94 15.890 2.355 -9.040 1.00 23.01 H new ATOM 0 HZ1 LYS A 94 16.687 4.287 -7.842 1.00 31.11 H new ATOM 0 HZ2 LYS A 94 15.051 4.492 -8.248 1.00 31.11 H new ATOM 0 HZ3 LYS A 94 15.487 4.095 -6.656 1.00 31.11 H new ATOM 1315 N ILE A 95 13.484 -3.611 -7.471 1.00 63.43 N ATOM 1316 CA ILE A 95 12.932 -4.667 -8.311 1.00 44.04 C ATOM 1317 C ILE A 95 11.790 -4.142 -9.175 1.00 4.23 C ATOM 1318 O ILE A 95 10.760 -3.707 -8.662 1.00 4.34 O ATOM 1319 CB ILE A 95 12.421 -5.849 -7.467 1.00 30.01 C ATOM 1320 CG1 ILE A 95 13.584 -6.525 -6.738 1.00 45.24 C ATOM 1321 CG2 ILE A 95 11.687 -6.850 -8.347 1.00 12.14 C ATOM 1322 CD1 ILE A 95 13.848 -5.955 -5.362 1.00 62.21 C ATOM 0 H ILE A 95 13.046 -3.529 -6.553 1.00 63.43 H new ATOM 0 HA ILE A 95 13.741 -5.014 -8.954 1.00 44.04 H new ATOM 0 HB ILE A 95 11.722 -5.468 -6.722 1.00 30.01 H new ATOM 0 HG12 ILE A 95 13.375 -7.591 -6.647 1.00 45.24 H new ATOM 0 HG13 ILE A 95 14.486 -6.428 -7.342 1.00 45.24 H new ATOM 0 HG21 ILE A 95 11.332 -7.680 -7.736 1.00 12.14 H new ATOM 0 HG22 ILE A 95 10.838 -6.361 -8.824 1.00 12.14 H new ATOM 0 HG23 ILE A 95 12.365 -7.227 -9.112 1.00 12.14 H new ATOM 0 HD11 ILE A 95 14.685 -6.482 -4.904 1.00 62.21 H new ATOM 0 HD12 ILE A 95 14.089 -4.895 -5.447 1.00 62.21 H new ATOM 0 HD13 ILE A 95 12.960 -6.076 -4.741 1.00 62.21 H new ATOM 1334 N ASN A 96 11.980 -4.188 -10.489 1.00 43.43 N ATOM 1335 CA ASN A 96 10.965 -3.717 -11.425 1.00 62.51 C ATOM 1336 C ASN A 96 10.649 -2.244 -11.190 1.00 4.52 C ATOM 1337 O ASN A 96 9.578 -1.761 -11.554 1.00 72.54 O ATOM 1338 CB ASN A 96 9.690 -4.552 -11.288 1.00 41.12 C ATOM 1339 CG ASN A 96 8.770 -4.402 -12.484 1.00 60.24 C ATOM 1340 OD1 ASN A 96 9.012 -4.981 -13.544 1.00 10.31 O ATOM 1341 ND2 ASN A 96 7.708 -3.623 -12.320 1.00 12.43 N ATOM 0 H ASN A 96 12.827 -4.546 -10.930 1.00 43.43 H new ATOM 0 HA ASN A 96 11.358 -3.828 -12.435 1.00 62.51 H new ATOM 0 HB2 ASN A 96 9.958 -5.602 -11.168 1.00 41.12 H new ATOM 0 HB3 ASN A 96 9.159 -4.253 -10.384 1.00 41.12 H new ATOM 0 HD21 ASN A 96 7.053 -3.485 -13.090 1.00 12.43 H new ATOM 0 HD22 ASN A 96 7.547 -3.163 -11.424 1.00 12.43 H new ATOM 1348 N GLY A 97 11.592 -1.532 -10.578 1.00 35.22 N ATOM 1349 CA GLY A 97 11.395 -0.121 -10.305 1.00 3.53 C ATOM 1350 C GLY A 97 10.799 0.127 -8.933 1.00 51.33 C ATOM 1351 O GLY A 97 10.267 1.204 -8.667 1.00 13.21 O ATOM 0 H GLY A 97 12.488 -1.908 -10.267 1.00 35.22 H new ATOM 0 HA2 GLY A 97 12.351 0.398 -10.382 1.00 3.53 H new ATOM 0 HA3 GLY A 97 10.740 0.305 -11.065 1.00 3.53 H new ATOM 1355 N GLU A 98 10.886 -0.873 -8.062 1.00 4.10 N ATOM 1356 CA GLU A 98 10.348 -0.758 -6.712 1.00 22.14 C ATOM 1357 C GLU A 98 11.441 -0.981 -5.670 1.00 34.23 C ATOM 1358 O GLU A 98 12.040 -2.055 -5.603 1.00 14.30 O ATOM 1359 CB GLU A 98 9.216 -1.765 -6.503 1.00 34.42 C ATOM 1360 CG GLU A 98 8.091 -1.636 -7.516 1.00 51.52 C ATOM 1361 CD GLU A 98 7.048 -2.728 -7.374 1.00 45.50 C ATOM 1362 OE1 GLU A 98 7.228 -3.609 -6.507 1.00 52.32 O ATOM 1363 OE2 GLU A 98 6.054 -2.701 -8.129 1.00 22.31 O ATOM 0 H GLU A 98 11.324 -1.771 -8.267 1.00 4.10 H new ATOM 0 HA GLU A 98 9.954 0.251 -6.590 1.00 22.14 H new ATOM 0 HB2 GLU A 98 9.625 -2.774 -6.554 1.00 34.42 H new ATOM 0 HB3 GLU A 98 8.807 -1.637 -5.501 1.00 34.42 H new ATOM 0 HG2 GLU A 98 7.612 -0.664 -7.399 1.00 51.52 H new ATOM 0 HG3 GLU A 98 8.508 -1.666 -8.522 1.00 51.52 H new ATOM 1370 N ASP A 99 11.694 0.040 -4.859 1.00 43.33 N ATOM 1371 CA ASP A 99 12.714 -0.043 -3.820 1.00 71.10 C ATOM 1372 C ASP A 99 12.333 -1.079 -2.767 1.00 11.01 C ATOM 1373 O ASP A 99 11.523 -0.808 -1.880 1.00 65.13 O ATOM 1374 CB ASP A 99 12.914 1.323 -3.161 1.00 72.41 C ATOM 1375 CG ASP A 99 12.919 2.456 -4.168 1.00 13.01 C ATOM 1376 OD1 ASP A 99 11.830 2.811 -4.668 1.00 24.40 O ATOM 1377 OD2 ASP A 99 14.011 2.989 -4.455 1.00 54.11 O ATOM 0 H ASP A 99 11.207 0.935 -4.901 1.00 43.33 H new ATOM 0 HA ASP A 99 13.649 -0.352 -4.287 1.00 71.10 H new ATOM 0 HB2 ASP A 99 12.121 1.492 -2.433 1.00 72.41 H new ATOM 0 HB3 ASP A 99 13.856 1.324 -2.612 1.00 72.41 H new ATOM 1382 N MET A 100 12.921 -2.266 -2.872 1.00 21.11 N ATOM 1383 CA MET A 100 12.643 -3.342 -1.928 1.00 71.52 C ATOM 1384 C MET A 100 13.912 -3.762 -1.193 1.00 72.30 C ATOM 1385 O MET A 100 15.018 -3.376 -1.572 1.00 55.21 O ATOM 1386 CB MET A 100 12.040 -4.545 -2.657 1.00 30.14 C ATOM 1387 CG MET A 100 11.006 -4.165 -3.704 1.00 61.32 C ATOM 1388 SD MET A 100 9.546 -5.223 -3.655 1.00 3.44 S ATOM 1389 CE MET A 100 10.147 -6.670 -4.521 1.00 62.34 C ATOM 0 H MET A 100 13.593 -2.507 -3.601 1.00 21.11 H new ATOM 0 HA MET A 100 11.925 -2.973 -1.195 1.00 71.52 H new ATOM 0 HB2 MET A 100 12.841 -5.108 -3.137 1.00 30.14 H new ATOM 0 HB3 MET A 100 11.578 -5.208 -1.926 1.00 30.14 H new ATOM 0 HG2 MET A 100 10.704 -3.129 -3.552 1.00 61.32 H new ATOM 0 HG3 MET A 100 11.459 -4.223 -4.694 1.00 61.32 H new ATOM 0 HE1 MET A 100 9.618 -6.773 -5.468 1.00 62.34 H new ATOM 0 HE2 MET A 100 11.215 -6.563 -4.712 1.00 62.34 H new ATOM 0 HE3 MET A 100 9.975 -7.557 -3.911 1.00 62.34 H new ATOM 1399 N VAL A 101 13.745 -4.555 -0.139 1.00 61.54 N ATOM 1400 CA VAL A 101 14.877 -5.028 0.648 1.00 23.33 C ATOM 1401 C VAL A 101 14.877 -6.549 0.752 1.00 24.34 C ATOM 1402 O VAL A 101 13.821 -7.177 0.825 1.00 72.11 O ATOM 1403 CB VAL A 101 14.864 -4.428 2.067 1.00 42.45 C ATOM 1404 CG1 VAL A 101 14.759 -2.911 2.004 1.00 61.55 C ATOM 1405 CG2 VAL A 101 13.724 -5.016 2.883 1.00 14.13 C ATOM 0 H VAL A 101 12.837 -4.883 0.189 1.00 61.54 H new ATOM 0 HA VAL A 101 15.780 -4.702 0.131 1.00 23.33 H new ATOM 0 HB VAL A 101 15.802 -4.683 2.560 1.00 42.45 H new ATOM 0 HG11 VAL A 101 14.751 -2.505 3.015 1.00 61.55 H new ATOM 0 HG12 VAL A 101 15.613 -2.510 1.458 1.00 61.55 H new ATOM 0 HG13 VAL A 101 13.838 -2.631 1.493 1.00 61.55 H new ATOM 0 HG21 VAL A 101 13.730 -4.581 3.882 1.00 14.13 H new ATOM 0 HG22 VAL A 101 12.775 -4.793 2.396 1.00 14.13 H new ATOM 0 HG23 VAL A 101 13.849 -6.096 2.957 1.00 14.13 H new ATOM 1415 N TYR A 102 16.069 -7.136 0.760 1.00 41.13 N ATOM 1416 CA TYR A 102 16.207 -8.584 0.853 1.00 24.41 C ATOM 1417 C TYR A 102 16.630 -9.002 2.258 1.00 13.14 C ATOM 1418 O TYR A 102 17.463 -8.349 2.889 1.00 73.40 O ATOM 1419 CB TYR A 102 17.228 -9.087 -0.169 1.00 23.31 C ATOM 1420 CG TYR A 102 16.674 -9.204 -1.571 1.00 24.51 C ATOM 1421 CD1 TYR A 102 15.830 -10.251 -1.920 1.00 22.51 C ATOM 1422 CD2 TYR A 102 16.996 -8.269 -2.547 1.00 31.24 C ATOM 1423 CE1 TYR A 102 15.322 -10.363 -3.200 1.00 22.22 C ATOM 1424 CE2 TYR A 102 16.491 -8.372 -3.828 1.00 64.15 C ATOM 1425 CZ TYR A 102 15.655 -9.421 -4.150 1.00 43.23 C ATOM 1426 OH TYR A 102 15.152 -9.528 -5.426 1.00 52.45 O ATOM 0 H TYR A 102 16.953 -6.631 0.703 1.00 41.13 H new ATOM 0 HA TYR A 102 15.236 -9.030 0.637 1.00 24.41 H new ATOM 0 HB2 TYR A 102 18.082 -8.410 -0.180 1.00 23.31 H new ATOM 0 HB3 TYR A 102 17.598 -10.062 0.149 1.00 23.31 H new ATOM 0 HD1 TYR A 102 15.566 -10.990 -1.178 1.00 22.51 H new ATOM 0 HD2 TYR A 102 17.652 -7.448 -2.300 1.00 31.24 H new ATOM 0 HE1 TYR A 102 14.668 -11.184 -3.455 1.00 22.22 H new ATOM 0 HE2 TYR A 102 16.749 -7.635 -4.574 1.00 64.15 H new ATOM 0 HH TYR A 102 15.483 -8.784 -5.971 1.00 52.45 H new ATOM 1436 N LEU A 103 16.050 -10.094 2.743 1.00 33.31 N ATOM 1437 CA LEU A 103 16.365 -10.602 4.074 1.00 2.40 C ATOM 1438 C LEU A 103 17.300 -11.804 3.991 1.00 30.00 C ATOM 1439 O LEU A 103 17.408 -12.467 2.959 1.00 23.13 O ATOM 1440 CB LEU A 103 15.082 -10.989 4.811 1.00 11.22 C ATOM 1441 CG LEU A 103 13.969 -11.588 3.951 1.00 33.22 C ATOM 1442 CD1 LEU A 103 14.489 -12.777 3.158 1.00 54.13 C ATOM 1443 CD2 LEU A 103 12.788 -11.999 4.818 1.00 34.03 C ATOM 0 H LEU A 103 15.359 -10.645 2.234 1.00 33.31 H new ATOM 0 HA LEU A 103 16.870 -9.810 4.628 1.00 2.40 H new ATOM 0 HB2 LEU A 103 15.337 -11.706 5.591 1.00 11.22 H new ATOM 0 HB3 LEU A 103 14.691 -10.102 5.309 1.00 11.22 H new ATOM 0 HG LEU A 103 13.631 -10.828 3.247 1.00 33.22 H new ATOM 0 HD11 LEU A 103 13.683 -13.191 2.552 1.00 54.13 H new ATOM 0 HD12 LEU A 103 15.302 -12.453 2.508 1.00 54.13 H new ATOM 0 HD13 LEU A 103 14.855 -13.540 3.845 1.00 54.13 H new ATOM 0 HD21 LEU A 103 12.005 -12.423 4.189 1.00 34.03 H new ATOM 0 HD22 LEU A 103 13.112 -12.743 5.545 1.00 34.03 H new ATOM 0 HD23 LEU A 103 12.399 -11.125 5.341 1.00 34.03 H new ATOM 1455 N PRO A 104 17.991 -12.095 5.103 1.00 12.24 N ATOM 1456 CA PRO A 104 18.926 -13.220 5.183 1.00 65.44 C ATOM 1457 C PRO A 104 18.215 -14.569 5.154 1.00 10.23 C ATOM 1458 O PRO A 104 16.986 -14.632 5.129 1.00 71.45 O ATOM 1459 CB PRO A 104 19.621 -13.010 6.530 1.00 32.45 C ATOM 1460 CG PRO A 104 18.645 -12.229 7.341 1.00 23.34 C ATOM 1461 CD PRO A 104 17.911 -11.347 6.370 1.00 61.44 C ATOM 0 HA PRO A 104 19.610 -13.242 4.335 1.00 65.44 H new ATOM 0 HB2 PRO A 104 19.859 -13.962 7.005 1.00 32.45 H new ATOM 0 HB3 PRO A 104 20.560 -12.469 6.411 1.00 32.45 H new ATOM 0 HG2 PRO A 104 17.955 -12.891 7.865 1.00 23.34 H new ATOM 0 HG3 PRO A 104 19.155 -11.635 8.099 1.00 23.34 H new ATOM 0 HD2 PRO A 104 16.878 -11.185 6.676 1.00 61.44 H new ATOM 0 HD3 PRO A 104 18.377 -10.365 6.287 1.00 61.44 H new ATOM 1469 N SER A 105 18.995 -15.645 5.160 1.00 43.23 N ATOM 1470 CA SER A 105 18.439 -16.993 5.131 1.00 3.53 C ATOM 1471 C SER A 105 18.609 -17.679 6.483 1.00 11.23 C ATOM 1472 O SER A 105 19.474 -17.307 7.277 1.00 61.14 O ATOM 1473 CB SER A 105 19.114 -17.822 4.037 1.00 32.42 C ATOM 1474 OG SER A 105 19.516 -17.005 2.952 1.00 41.20 O ATOM 0 H SER A 105 20.014 -15.610 5.185 1.00 43.23 H new ATOM 0 HA SER A 105 17.374 -16.916 4.913 1.00 3.53 H new ATOM 0 HB2 SER A 105 19.982 -18.336 4.450 1.00 32.42 H new ATOM 0 HB3 SER A 105 18.427 -18.590 3.683 1.00 32.42 H new ATOM 0 HG SER A 105 20.453 -17.190 2.733 1.00 41.20 H new ATOM 1480 N TYR A 106 17.777 -18.682 6.739 1.00 72.23 N ATOM 1481 CA TYR A 106 17.832 -19.420 7.995 1.00 12.22 C ATOM 1482 C TYR A 106 19.254 -19.883 8.293 1.00 25.12 C ATOM 1483 O TYR A 106 19.665 -19.955 9.451 1.00 43.12 O ATOM 1484 CB TYR A 106 16.891 -20.625 7.945 1.00 41.10 C ATOM 1485 CG TYR A 106 17.406 -21.760 7.089 1.00 51.34 C ATOM 1486 CD1 TYR A 106 17.534 -21.615 5.713 1.00 41.54 C ATOM 1487 CD2 TYR A 106 17.763 -22.977 7.655 1.00 42.01 C ATOM 1488 CE1 TYR A 106 18.003 -22.649 4.926 1.00 44.31 C ATOM 1489 CE2 TYR A 106 18.235 -24.016 6.876 1.00 12.02 C ATOM 1490 CZ TYR A 106 18.353 -23.847 5.512 1.00 31.14 C ATOM 1491 OH TYR A 106 18.821 -24.880 4.733 1.00 31.31 O ATOM 0 H TYR A 106 17.056 -19.003 6.093 1.00 72.23 H new ATOM 0 HA TYR A 106 17.512 -18.751 8.794 1.00 12.22 H new ATOM 0 HB2 TYR A 106 16.728 -20.991 8.959 1.00 41.10 H new ATOM 0 HB3 TYR A 106 15.922 -20.303 7.563 1.00 41.10 H new ATOM 0 HD1 TYR A 106 17.262 -20.678 5.251 1.00 41.54 H new ATOM 0 HD2 TYR A 106 17.670 -23.114 8.722 1.00 42.01 H new ATOM 0 HE1 TYR A 106 18.095 -22.520 3.858 1.00 44.31 H new ATOM 0 HE2 TYR A 106 18.510 -24.955 7.333 1.00 12.02 H new ATOM 0 HH TYR A 106 19.023 -25.652 5.301 1.00 31.31 H new ATOM 1501 N GLU A 107 20.001 -20.196 7.239 1.00 42.44 N ATOM 1502 CA GLU A 107 21.378 -20.652 7.387 1.00 61.22 C ATOM 1503 C GLU A 107 22.255 -19.553 7.980 1.00 50.03 C ATOM 1504 O GLU A 107 22.907 -19.750 9.005 1.00 54.21 O ATOM 1505 CB GLU A 107 21.941 -21.094 6.034 1.00 35.43 C ATOM 1506 CG GLU A 107 21.715 -22.567 5.733 1.00 3.35 C ATOM 1507 CD GLU A 107 23.002 -23.298 5.405 1.00 61.52 C ATOM 1508 OE1 GLU A 107 23.801 -23.540 6.333 1.00 65.40 O ATOM 1509 OE2 GLU A 107 23.209 -23.629 4.218 1.00 22.34 O ATOM 0 H GLU A 107 19.676 -20.142 6.274 1.00 42.44 H new ATOM 0 HA GLU A 107 21.380 -21.502 8.069 1.00 61.22 H new ATOM 0 HB2 GLU A 107 21.483 -20.496 5.246 1.00 35.43 H new ATOM 0 HB3 GLU A 107 23.011 -20.887 6.010 1.00 35.43 H new ATOM 0 HG2 GLU A 107 21.241 -23.041 6.592 1.00 3.35 H new ATOM 0 HG3 GLU A 107 21.024 -22.661 4.895 1.00 3.35 H new ATOM 1516 N MET A 108 22.266 -18.396 7.326 1.00 13.22 N ATOM 1517 CA MET A 108 23.062 -17.265 7.789 1.00 52.23 C ATOM 1518 C MET A 108 22.782 -16.968 9.259 1.00 64.23 C ATOM 1519 O MET A 108 23.704 -16.737 10.042 1.00 20.30 O ATOM 1520 CB MET A 108 22.767 -16.026 6.941 1.00 11.44 C ATOM 1521 CG MET A 108 23.350 -16.095 5.539 1.00 22.24 C ATOM 1522 SD MET A 108 25.101 -15.666 5.493 1.00 12.23 S ATOM 1523 CE MET A 108 25.036 -14.066 4.690 1.00 30.21 C ATOM 0 H MET A 108 21.733 -18.217 6.475 1.00 13.22 H new ATOM 0 HA MET A 108 24.115 -17.526 7.684 1.00 52.23 H new ATOM 0 HB2 MET A 108 21.687 -15.893 6.870 1.00 11.44 H new ATOM 0 HB3 MET A 108 23.164 -15.146 7.448 1.00 11.44 H new ATOM 0 HG2 MET A 108 23.216 -17.102 5.143 1.00 22.24 H new ATOM 0 HG3 MET A 108 22.797 -15.420 4.886 1.00 22.24 H new ATOM 0 HE1 MET A 108 25.681 -14.073 3.812 1.00 30.21 H new ATOM 0 HE2 MET A 108 24.011 -13.853 4.386 1.00 30.21 H new ATOM 0 HE3 MET A 108 25.376 -13.297 5.384 1.00 30.21 H new ATOM 1533 N CYS A 109 21.506 -16.976 9.627 1.00 54.21 N ATOM 1534 CA CYS A 109 21.104 -16.707 11.002 1.00 3.14 C ATOM 1535 C CYS A 109 21.367 -17.918 11.892 1.00 20.43 C ATOM 1536 O CYS A 109 21.491 -17.791 13.111 1.00 65.25 O ATOM 1537 CB CYS A 109 19.622 -16.330 11.059 1.00 25.41 C ATOM 1538 SG CYS A 109 18.977 -16.103 12.747 1.00 21.24 S ATOM 0 H CYS A 109 20.731 -17.166 8.991 1.00 54.21 H new ATOM 0 HA CYS A 109 21.698 -15.871 11.371 1.00 3.14 H new ATOM 0 HB2 CYS A 109 19.471 -15.409 10.497 1.00 25.41 H new ATOM 0 HB3 CYS A 109 19.041 -17.106 10.561 1.00 25.41 H new ATOM 1543 N ARG A 110 21.450 -19.092 11.275 1.00 63.22 N ATOM 1544 CA ARG A 110 21.697 -20.327 12.010 1.00 3.43 C ATOM 1545 C ARG A 110 23.131 -20.372 12.530 1.00 21.03 C ATOM 1546 O ARG A 110 23.402 -20.952 13.582 1.00 21.31 O ATOM 1547 CB ARG A 110 21.428 -21.540 11.118 1.00 44.42 C ATOM 1548 CG ARG A 110 20.057 -22.160 11.330 1.00 23.23 C ATOM 1549 CD ARG A 110 20.165 -23.610 11.777 1.00 1.34 C ATOM 1550 NE ARG A 110 20.448 -24.507 10.661 1.00 62.33 N ATOM 1551 CZ ARG A 110 20.557 -25.825 10.787 1.00 63.15 C ATOM 1552 NH1 ARG A 110 20.407 -26.396 11.974 1.00 44.31 N ATOM 1553 NH2 ARG A 110 20.816 -26.575 9.723 1.00 24.21 N ATOM 0 H ARG A 110 21.350 -19.214 10.267 1.00 63.22 H new ATOM 0 HA ARG A 110 21.018 -20.355 12.862 1.00 3.43 H new ATOM 0 HB2 ARG A 110 21.525 -21.241 10.074 1.00 44.42 H new ATOM 0 HB3 ARG A 110 22.192 -22.295 11.306 1.00 44.42 H new ATOM 0 HG2 ARG A 110 19.509 -21.587 12.078 1.00 23.23 H new ATOM 0 HG3 ARG A 110 19.484 -22.105 10.404 1.00 23.23 H new ATOM 0 HD2 ARG A 110 20.953 -23.701 12.524 1.00 1.34 H new ATOM 0 HD3 ARG A 110 19.234 -23.912 12.257 1.00 1.34 H new ATOM 0 HE ARG A 110 20.569 -24.100 9.734 1.00 62.33 H new ATOM 0 HH11 ARG A 110 20.207 -25.823 12.794 1.00 44.31 H new ATOM 0 HH12 ARG A 110 20.491 -27.408 12.067 1.00 44.31 H new ATOM 0 HH21 ARG A 110 20.931 -26.139 8.808 1.00 24.21 H new ATOM 0 HH22 ARG A 110 20.900 -27.587 9.820 1.00 24.21 H new ATOM 1567 N ILE A 111 24.044 -19.757 11.787 1.00 64.14 N ATOM 1568 CA ILE A 111 25.450 -19.727 12.173 1.00 74.20 C ATOM 1569 C ILE A 111 25.619 -19.185 13.588 1.00 21.32 C ATOM 1570 O ILE A 111 26.618 -19.458 14.255 1.00 61.34 O ATOM 1571 CB ILE A 111 26.282 -18.868 11.203 1.00 10.11 C ATOM 1572 CG1 ILE A 111 25.968 -19.247 9.754 1.00 5.42 C ATOM 1573 CG2 ILE A 111 27.767 -19.033 11.490 1.00 31.11 C ATOM 1574 CD1 ILE A 111 26.146 -20.720 9.463 1.00 73.31 C ATOM 0 H ILE A 111 23.836 -19.272 10.914 1.00 64.14 H new ATOM 0 HA ILE A 111 25.810 -20.755 12.134 1.00 74.20 H new ATOM 0 HB ILE A 111 26.018 -17.821 11.350 1.00 10.11 H new ATOM 0 HG12 ILE A 111 24.941 -18.962 9.527 1.00 5.42 H new ATOM 0 HG13 ILE A 111 26.613 -18.673 9.089 1.00 5.42 H new ATOM 0 HG21 ILE A 111 28.342 -18.420 10.796 1.00 31.11 H new ATOM 0 HG22 ILE A 111 27.977 -18.719 12.512 1.00 31.11 H new ATOM 0 HG23 ILE A 111 28.047 -20.079 11.367 1.00 31.11 H new ATOM 0 HD11 ILE A 111 25.906 -20.916 8.418 1.00 73.31 H new ATOM 0 HD12 ILE A 111 27.179 -21.007 9.658 1.00 73.31 H new ATOM 0 HD13 ILE A 111 25.481 -21.300 10.103 1.00 73.31 H new ATOM 1586 N THR A 112 24.635 -18.416 14.043 1.00 31.15 N ATOM 1587 CA THR A 112 24.674 -17.836 15.380 1.00 50.02 C ATOM 1588 C THR A 112 24.033 -18.767 16.402 1.00 20.25 C ATOM 1589 O THR A 112 24.512 -18.890 17.530 1.00 53.05 O ATOM 1590 CB THR A 112 23.956 -16.474 15.422 1.00 2.31 C ATOM 1591 OG1 THR A 112 22.543 -16.661 15.291 1.00 14.51 O ATOM 1592 CG2 THR A 112 24.458 -15.563 14.311 1.00 34.24 C ATOM 0 H THR A 112 23.801 -18.180 13.505 1.00 31.15 H new ATOM 0 HA THR A 112 25.725 -17.693 15.632 1.00 50.02 H new ATOM 0 HB THR A 112 24.172 -16.004 16.381 1.00 2.31 H new ATOM 0 HG1 THR A 112 22.341 -17.012 14.399 1.00 14.51 H new ATOM 0 HG21 THR A 112 23.937 -14.607 14.361 1.00 34.24 H new ATOM 0 HG22 THR A 112 25.529 -15.399 14.431 1.00 34.24 H new ATOM 0 HG23 THR A 112 24.269 -16.030 13.344 1.00 34.24 H new ATOM 1600 N MET A 113 22.948 -19.422 16.002 1.00 42.24 N ATOM 1601 CA MET A 113 22.243 -20.344 16.884 1.00 31.10 C ATOM 1602 C MET A 113 23.048 -21.624 17.088 1.00 13.21 C ATOM 1603 O MET A 113 22.971 -22.254 18.142 1.00 13.12 O ATOM 1604 CB MET A 113 20.865 -20.680 16.310 1.00 63.32 C ATOM 1605 CG MET A 113 20.884 -21.835 15.321 1.00 43.40 C ATOM 1606 SD MET A 113 19.233 -22.308 14.774 1.00 34.13 S ATOM 1607 CE MET A 113 18.552 -20.712 14.332 1.00 52.42 C ATOM 0 H MET A 113 22.538 -19.331 15.072 1.00 42.24 H new ATOM 0 HA MET A 113 22.117 -19.857 17.851 1.00 31.10 H new ATOM 0 HB2 MET A 113 20.189 -20.925 17.129 1.00 63.32 H new ATOM 0 HB3 MET A 113 20.461 -19.796 15.816 1.00 63.32 H new ATOM 0 HG2 MET A 113 21.484 -21.556 14.454 1.00 43.40 H new ATOM 0 HG3 MET A 113 21.370 -22.695 15.782 1.00 43.40 H new ATOM 0 HE1 MET A 113 17.837 -20.834 13.518 1.00 52.42 H new ATOM 0 HE2 MET A 113 18.048 -20.280 15.196 1.00 52.42 H new ATOM 0 HE3 MET A 113 19.356 -20.049 14.012 1.00 52.42 H new ATOM 1617 N GLU A 114 23.818 -22.001 16.073 1.00 64.32 N ATOM 1618 CA GLU A 114 24.636 -23.207 16.142 1.00 12.12 C ATOM 1619 C GLU A 114 25.356 -23.300 17.485 1.00 54.54 C ATOM 1620 O GLU A 114 25.163 -24.239 18.257 1.00 4.42 O ATOM 1621 CB GLU A 114 25.656 -23.225 15.002 1.00 52.42 C ATOM 1622 CG GLU A 114 25.435 -24.350 14.005 1.00 21.12 C ATOM 1623 CD GLU A 114 26.655 -24.614 13.144 1.00 53.03 C ATOM 1624 OE1 GLU A 114 27.701 -23.976 13.384 1.00 53.34 O ATOM 1625 OE2 GLU A 114 26.563 -25.460 12.229 1.00 15.32 O ATOM 0 H GLU A 114 23.893 -21.490 15.194 1.00 64.32 H new ATOM 0 HA GLU A 114 23.976 -24.069 16.042 1.00 12.12 H new ATOM 0 HB2 GLU A 114 25.617 -22.271 14.476 1.00 52.42 H new ATOM 0 HB3 GLU A 114 26.657 -23.316 15.423 1.00 52.42 H new ATOM 0 HG2 GLU A 114 25.171 -25.260 14.543 1.00 21.12 H new ATOM 0 HG3 GLU A 114 24.589 -24.101 13.364 1.00 21.12 H new ATOM 1632 N PRO A 115 26.206 -22.302 17.770 1.00 71.14 N ATOM 1633 CA PRO A 115 26.972 -22.247 19.018 1.00 21.41 C ATOM 1634 C PRO A 115 26.088 -21.971 20.229 1.00 32.03 C ATOM 1635 O PRO A 115 26.164 -22.672 21.239 1.00 13.41 O ATOM 1636 CB PRO A 115 27.942 -21.086 18.788 1.00 25.13 C ATOM 1637 CG PRO A 115 27.266 -20.221 17.782 1.00 41.13 C ATOM 1638 CD PRO A 115 26.484 -21.150 16.895 1.00 23.41 C ATOM 0 HA PRO A 115 27.464 -23.195 19.236 1.00 21.41 H new ATOM 0 HB2 PRO A 115 28.134 -20.542 19.713 1.00 25.13 H new ATOM 0 HB3 PRO A 115 28.905 -21.441 18.421 1.00 25.13 H new ATOM 0 HG2 PRO A 115 26.609 -19.499 18.267 1.00 41.13 H new ATOM 0 HG3 PRO A 115 27.994 -19.651 17.205 1.00 41.13 H new ATOM 0 HD2 PRO A 115 25.565 -20.686 16.537 1.00 23.41 H new ATOM 0 HD3 PRO A 115 27.057 -21.443 16.015 1.00 23.41 H new ATOM 1646 N CYS A 116 25.249 -20.946 20.122 1.00 71.10 N ATOM 1647 CA CYS A 116 24.350 -20.576 21.208 1.00 35.52 C ATOM 1648 C CYS A 116 22.990 -21.248 21.041 1.00 73.51 C ATOM 1649 O CYS A 116 22.000 -20.596 20.708 1.00 22.01 O ATOM 1650 CB CYS A 116 24.177 -19.057 21.261 1.00 72.23 C ATOM 1651 SG CYS A 116 25.714 -18.146 21.615 1.00 31.03 S ATOM 0 H CYS A 116 25.173 -20.356 19.293 1.00 71.10 H new ATOM 0 HA CYS A 116 24.792 -20.917 22.144 1.00 35.52 H new ATOM 0 HB2 CYS A 116 23.775 -18.714 20.307 1.00 72.23 H new ATOM 0 HB3 CYS A 116 23.438 -18.813 22.024 1.00 72.23 H new ATOM 1656 N ARG A 117 22.949 -22.556 21.274 1.00 25.24 N ATOM 1657 CA ARG A 117 21.712 -23.317 21.149 1.00 41.01 C ATOM 1658 C ARG A 117 20.594 -22.675 21.965 1.00 22.34 C ATOM 1659 O ARG A 117 19.431 -22.691 21.563 1.00 75.41 O ATOM 1660 CB ARG A 117 21.928 -24.761 21.606 1.00 53.12 C ATOM 1661 CG ARG A 117 20.636 -25.541 21.789 1.00 1.01 C ATOM 1662 CD ARG A 117 20.888 -27.040 21.805 1.00 24.51 C ATOM 1663 NE ARG A 117 20.308 -27.706 20.642 1.00 40.44 N ATOM 1664 CZ ARG A 117 20.670 -28.916 20.230 1.00 12.24 C ATOM 1665 NH1 ARG A 117 21.605 -29.590 20.885 1.00 3.21 N ATOM 1666 NH2 ARG A 117 20.095 -29.454 19.163 1.00 62.35 N ATOM 0 H ARG A 117 23.759 -23.111 21.551 1.00 25.24 H new ATOM 0 HA ARG A 117 21.418 -23.316 20.099 1.00 41.01 H new ATOM 0 HB2 ARG A 117 22.553 -25.275 20.875 1.00 53.12 H new ATOM 0 HB3 ARG A 117 22.477 -24.757 22.548 1.00 53.12 H new ATOM 0 HG2 ARG A 117 20.158 -25.241 22.722 1.00 1.01 H new ATOM 0 HG3 ARG A 117 19.944 -25.296 20.983 1.00 1.01 H new ATOM 0 HD2 ARG A 117 21.962 -27.227 21.831 1.00 24.51 H new ATOM 0 HD3 ARG A 117 20.468 -27.468 22.715 1.00 24.51 H new ATOM 0 HE ARG A 117 19.585 -27.215 20.117 1.00 40.44 H new ATOM 0 HH11 ARG A 117 22.048 -29.180 21.707 1.00 3.21 H new ATOM 0 HH12 ARG A 117 21.881 -30.519 20.567 1.00 3.21 H new ATOM 0 HH21 ARG A 117 19.374 -28.939 18.658 1.00 62.35 H new ATOM 0 HH22 ARG A 117 20.374 -30.383 18.847 1.00 62.35 H new ATOM 1680 N ILE A 118 20.955 -22.112 23.113 1.00 24.34 N ATOM 1681 CA ILE A 118 19.983 -21.465 23.986 1.00 62.24 C ATOM 1682 C ILE A 118 19.196 -20.397 23.234 1.00 10.12 C ATOM 1683 O ILE A 118 18.088 -20.033 23.630 1.00 11.24 O ATOM 1684 CB ILE A 118 20.664 -20.821 25.207 1.00 1.34 C ATOM 1685 CG1 ILE A 118 21.465 -21.868 25.984 1.00 63.15 C ATOM 1686 CG2 ILE A 118 19.627 -20.165 26.107 1.00 21.53 C ATOM 1687 CD1 ILE A 118 20.637 -23.050 26.435 1.00 74.32 C ATOM 0 H ILE A 118 21.914 -22.091 23.460 1.00 24.34 H new ATOM 0 HA ILE A 118 19.300 -22.242 24.330 1.00 62.24 H new ATOM 0 HB ILE A 118 21.352 -20.052 24.856 1.00 1.34 H new ATOM 0 HG12 ILE A 118 22.283 -22.225 25.359 1.00 63.15 H new ATOM 0 HG13 ILE A 118 21.914 -21.395 26.857 1.00 63.15 H new ATOM 0 HG21 ILE A 118 20.124 -19.714 26.966 1.00 21.53 H new ATOM 0 HG22 ILE A 118 19.096 -19.394 25.549 1.00 21.53 H new ATOM 0 HG23 ILE A 118 18.917 -20.917 26.452 1.00 21.53 H new ATOM 0 HD11 ILE A 118 21.270 -23.751 26.979 1.00 74.32 H new ATOM 0 HD12 ILE A 118 19.834 -22.705 27.087 1.00 74.32 H new ATOM 0 HD13 ILE A 118 20.209 -23.548 25.565 1.00 74.32 H new ATOM 1699 N LEU A 119 19.774 -19.899 22.147 1.00 62.23 N ATOM 1700 CA LEU A 119 19.126 -18.873 21.337 1.00 22.21 C ATOM 1701 C LEU A 119 18.476 -19.485 20.100 1.00 24.33 C ATOM 1702 O LEU A 119 18.364 -18.837 19.060 1.00 44.51 O ATOM 1703 CB LEU A 119 20.142 -17.808 20.919 1.00 32.34 C ATOM 1704 CG LEU A 119 20.493 -16.763 21.979 1.00 74.10 C ATOM 1705 CD1 LEU A 119 21.888 -16.207 21.739 1.00 75.00 C ATOM 1706 CD2 LEU A 119 19.463 -15.642 21.984 1.00 62.32 C ATOM 0 H LEU A 119 20.690 -20.189 21.806 1.00 62.23 H new ATOM 0 HA LEU A 119 18.347 -18.407 21.941 1.00 22.21 H new ATOM 0 HB2 LEU A 119 21.060 -18.310 20.614 1.00 32.34 H new ATOM 0 HB3 LEU A 119 19.755 -17.290 20.041 1.00 32.34 H new ATOM 0 HG LEU A 119 20.480 -17.246 22.956 1.00 74.10 H new ATOM 0 HD11 LEU A 119 22.120 -15.465 22.503 1.00 75.00 H new ATOM 0 HD12 LEU A 119 22.616 -17.017 21.787 1.00 75.00 H new ATOM 0 HD13 LEU A 119 21.929 -15.740 20.755 1.00 75.00 H new ATOM 0 HD21 LEU A 119 19.728 -14.907 22.744 1.00 62.32 H new ATOM 0 HD22 LEU A 119 19.444 -15.161 21.006 1.00 62.32 H new ATOM 0 HD23 LEU A 119 18.478 -16.054 22.205 1.00 62.32 H new ATOM 1718 N TYR A 120 18.048 -20.737 20.222 1.00 51.32 N ATOM 1719 CA TYR A 120 17.409 -21.437 19.114 1.00 50.22 C ATOM 1720 C TYR A 120 16.327 -20.572 18.474 1.00 1.12 C ATOM 1721 O TYR A 120 16.144 -20.586 17.258 1.00 42.12 O ATOM 1722 CB TYR A 120 16.804 -22.756 19.597 1.00 14.45 C ATOM 1723 CG TYR A 120 15.796 -22.587 20.712 1.00 3.43 C ATOM 1724 CD1 TYR A 120 16.206 -22.480 22.036 1.00 61.44 C ATOM 1725 CD2 TYR A 120 14.434 -22.532 20.442 1.00 64.20 C ATOM 1726 CE1 TYR A 120 15.289 -22.327 23.057 1.00 0.32 C ATOM 1727 CE2 TYR A 120 13.510 -22.377 21.457 1.00 22.21 C ATOM 1728 CZ TYR A 120 13.942 -22.275 22.763 1.00 64.40 C ATOM 1729 OH TYR A 120 13.026 -22.121 23.778 1.00 51.03 O ATOM 0 H TYR A 120 18.132 -21.287 21.077 1.00 51.32 H new ATOM 0 HA TYR A 120 18.171 -21.648 18.364 1.00 50.22 H new ATOM 0 HB2 TYR A 120 16.323 -23.255 18.756 1.00 14.45 H new ATOM 0 HB3 TYR A 120 17.606 -23.410 19.939 1.00 14.45 H new ATOM 0 HD1 TYR A 120 17.260 -22.517 22.270 1.00 61.44 H new ATOM 0 HD2 TYR A 120 14.092 -22.612 19.421 1.00 64.20 H new ATOM 0 HE1 TYR A 120 15.625 -22.248 24.081 1.00 0.32 H new ATOM 0 HE2 TYR A 120 12.455 -22.336 21.229 1.00 22.21 H new ATOM 0 HH TYR A 120 12.121 -22.102 23.402 1.00 51.03 H new ATOM 1739 N ASN A 121 15.613 -19.819 19.305 1.00 71.03 N ATOM 1740 CA ASN A 121 14.549 -18.947 18.822 1.00 55.22 C ATOM 1741 C ASN A 121 14.951 -17.480 18.941 1.00 63.04 C ATOM 1742 O ASN A 121 14.431 -16.621 18.227 1.00 23.50 O ATOM 1743 CB ASN A 121 13.259 -19.198 19.606 1.00 22.41 C ATOM 1744 CG ASN A 121 13.357 -18.729 21.045 1.00 71.30 C ATOM 1745 OD1 ASN A 121 13.493 -19.536 21.965 1.00 73.33 O ATOM 1746 ND2 ASN A 121 13.288 -17.418 21.246 1.00 73.53 N ATOM 0 H ASN A 121 15.752 -19.795 20.315 1.00 71.03 H new ATOM 0 HA ASN A 121 14.377 -19.175 17.770 1.00 55.22 H new ATOM 0 HB2 ASN A 121 12.433 -18.684 19.115 1.00 22.41 H new ATOM 0 HB3 ASN A 121 13.028 -20.263 19.589 1.00 22.41 H new ATOM 0 HD21 ASN A 121 13.348 -17.043 22.193 1.00 73.53 H new ATOM 0 HD22 ASN A 121 13.175 -16.786 20.454 1.00 73.53 H new ATOM 1753 N THR A 122 15.882 -17.199 19.847 1.00 22.13 N ATOM 1754 CA THR A 122 16.355 -15.837 20.061 1.00 71.14 C ATOM 1755 C THR A 122 15.275 -14.975 20.704 1.00 1.14 C ATOM 1756 O THR A 122 14.306 -14.584 20.052 1.00 21.53 O ATOM 1757 CB THR A 122 16.798 -15.183 18.739 1.00 50.45 C ATOM 1758 OG1 THR A 122 17.527 -16.126 17.945 1.00 4.34 O ATOM 1759 CG2 THR A 122 17.662 -13.959 19.003 1.00 22.14 C ATOM 0 H THR A 122 16.324 -17.897 20.445 1.00 22.13 H new ATOM 0 HA THR A 122 17.212 -15.901 20.732 1.00 71.14 H new ATOM 0 HB THR A 122 15.905 -14.868 18.199 1.00 50.45 H new ATOM 0 HG1 THR A 122 17.828 -16.867 18.511 1.00 4.34 H new ATOM 0 HG21 THR A 122 17.963 -13.514 18.054 1.00 22.14 H new ATOM 0 HG22 THR A 122 17.094 -13.230 19.581 1.00 22.14 H new ATOM 0 HG23 THR A 122 18.550 -14.254 19.563 1.00 22.14 H new ATOM 1767 N THR A 123 15.448 -14.679 21.989 1.00 31.41 N ATOM 1768 CA THR A 123 14.488 -13.863 22.721 1.00 32.35 C ATOM 1769 C THR A 123 15.163 -13.113 23.864 1.00 34.12 C ATOM 1770 O THR A 123 14.501 -12.654 24.795 1.00 34.33 O ATOM 1771 CB THR A 123 13.341 -14.720 23.291 1.00 4.01 C ATOM 1772 OG1 THR A 123 12.382 -13.882 23.945 1.00 1.03 O ATOM 1773 CG2 THR A 123 13.874 -15.752 24.273 1.00 32.52 C ATOM 0 H THR A 123 16.244 -14.993 22.544 1.00 31.41 H new ATOM 0 HA THR A 123 14.077 -13.145 22.011 1.00 32.35 H new ATOM 0 HB THR A 123 12.861 -15.243 22.464 1.00 4.01 H new ATOM 0 HG1 THR A 123 12.847 -13.245 24.527 1.00 1.03 H new ATOM 0 HG21 THR A 123 13.047 -16.345 24.662 1.00 32.52 H new ATOM 0 HG22 THR A 123 14.582 -16.407 23.764 1.00 32.52 H new ATOM 0 HG23 THR A 123 14.376 -15.245 25.097 1.00 32.52 H new ATOM 1781 N PHE A 124 16.484 -12.991 23.787 1.00 14.01 N ATOM 1782 CA PHE A 124 17.248 -12.296 24.816 1.00 44.11 C ATOM 1783 C PHE A 124 17.934 -11.060 24.242 1.00 43.32 C ATOM 1784 O PHE A 124 17.722 -9.943 24.714 1.00 41.42 O ATOM 1785 CB PHE A 124 18.291 -13.234 25.427 1.00 2.03 C ATOM 1786 CG PHE A 124 17.692 -14.392 26.173 1.00 11.22 C ATOM 1787 CD1 PHE A 124 16.625 -14.200 27.036 1.00 2.53 C ATOM 1788 CD2 PHE A 124 18.196 -15.672 26.012 1.00 72.44 C ATOM 1789 CE1 PHE A 124 16.071 -15.263 27.724 1.00 41.11 C ATOM 1790 CE2 PHE A 124 17.646 -16.740 26.696 1.00 14.52 C ATOM 1791 CZ PHE A 124 16.583 -16.534 27.554 1.00 32.43 C ATOM 0 H PHE A 124 17.047 -13.364 23.023 1.00 14.01 H new ATOM 0 HA PHE A 124 16.555 -11.977 25.595 1.00 44.11 H new ATOM 0 HB2 PHE A 124 18.933 -13.616 24.634 1.00 2.03 H new ATOM 0 HB3 PHE A 124 18.927 -12.665 26.105 1.00 2.03 H new ATOM 0 HD1 PHE A 124 16.221 -13.208 27.173 1.00 2.53 H new ATOM 0 HD2 PHE A 124 19.028 -15.838 25.344 1.00 72.44 H new ATOM 0 HE1 PHE A 124 15.239 -15.100 28.393 1.00 41.11 H new ATOM 0 HE2 PHE A 124 18.047 -17.734 26.560 1.00 14.52 H new ATOM 0 HZ PHE A 124 16.153 -17.366 28.091 1.00 32.43 H new ATOM 1801 N PHE A 125 18.758 -11.268 23.220 1.00 24.54 N ATOM 1802 CA PHE A 125 19.478 -10.172 22.582 1.00 74.32 C ATOM 1803 C PHE A 125 19.064 -10.029 21.120 1.00 11.21 C ATOM 1804 O PHE A 125 19.761 -10.468 20.205 1.00 31.13 O ATOM 1805 CB PHE A 125 20.987 -10.401 22.676 1.00 25.32 C ATOM 1806 CG PHE A 125 21.586 -9.930 23.971 1.00 75.21 C ATOM 1807 CD1 PHE A 125 21.486 -8.602 24.353 1.00 75.03 C ATOM 1808 CD2 PHE A 125 22.247 -10.816 24.806 1.00 2.44 C ATOM 1809 CE1 PHE A 125 22.036 -8.166 25.543 1.00 13.12 C ATOM 1810 CE2 PHE A 125 22.799 -10.385 25.998 1.00 30.34 C ATOM 1811 CZ PHE A 125 22.692 -9.059 26.368 1.00 41.24 C ATOM 0 H PHE A 125 18.944 -12.186 22.816 1.00 24.54 H new ATOM 0 HA PHE A 125 19.225 -9.250 23.106 1.00 74.32 H new ATOM 0 HB2 PHE A 125 21.193 -11.464 22.555 1.00 25.32 H new ATOM 0 HB3 PHE A 125 21.477 -9.886 21.850 1.00 25.32 H new ATOM 0 HD1 PHE A 125 20.972 -7.900 23.713 1.00 75.03 H new ATOM 0 HD2 PHE A 125 22.332 -11.855 24.523 1.00 2.44 H new ATOM 0 HE1 PHE A 125 21.953 -7.128 25.828 1.00 13.12 H new ATOM 0 HE2 PHE A 125 23.314 -11.085 26.639 1.00 30.34 H new ATOM 0 HZ PHE A 125 23.120 -8.721 27.300 1.00 41.24 H new ATOM 1821 N PRO A 126 17.901 -9.399 20.894 1.00 63.21 N ATOM 1822 CA PRO A 126 17.368 -9.183 19.546 1.00 55.21 C ATOM 1823 C PRO A 126 18.184 -8.167 18.755 1.00 3.52 C ATOM 1824 O PRO A 126 18.496 -8.381 17.583 1.00 13.05 O ATOM 1825 CB PRO A 126 15.956 -8.650 19.805 1.00 42.44 C ATOM 1826 CG PRO A 126 16.027 -8.030 21.158 1.00 64.14 C ATOM 1827 CD PRO A 126 17.019 -8.850 21.937 1.00 54.34 C ATOM 0 HA PRO A 126 17.392 -10.094 18.947 1.00 55.21 H new ATOM 0 HB2 PRO A 126 15.664 -7.920 19.050 1.00 42.44 H new ATOM 0 HB3 PRO A 126 15.219 -9.452 19.775 1.00 42.44 H new ATOM 0 HG2 PRO A 126 16.345 -6.989 21.094 1.00 64.14 H new ATOM 0 HG3 PRO A 126 15.050 -8.036 21.642 1.00 64.14 H new ATOM 0 HD2 PRO A 126 17.572 -8.240 22.651 1.00 54.34 H new ATOM 0 HD3 PRO A 126 16.529 -9.640 22.506 1.00 54.34 H new ATOM 1835 N LYS A 127 18.529 -7.059 19.403 1.00 25.12 N ATOM 1836 CA LYS A 127 19.312 -6.009 18.762 1.00 61.21 C ATOM 1837 C LYS A 127 20.633 -6.560 18.234 1.00 31.44 C ATOM 1838 O LYS A 127 21.226 -6.001 17.312 1.00 61.34 O ATOM 1839 CB LYS A 127 19.580 -4.870 19.748 1.00 41.11 C ATOM 1840 CG LYS A 127 20.709 -5.161 20.722 1.00 74.31 C ATOM 1841 CD LYS A 127 20.317 -6.235 21.724 1.00 43.24 C ATOM 1842 CE LYS A 127 19.107 -5.817 22.544 1.00 13.21 C ATOM 1843 NZ LYS A 127 19.316 -6.050 24.000 1.00 42.40 N ATOM 0 H LYS A 127 18.278 -6.865 20.373 1.00 25.12 H new ATOM 0 HA LYS A 127 18.737 -5.625 17.920 1.00 61.21 H new ATOM 0 HB2 LYS A 127 19.818 -3.965 19.189 1.00 41.11 H new ATOM 0 HB3 LYS A 127 18.669 -4.666 20.311 1.00 41.11 H new ATOM 0 HG2 LYS A 127 21.593 -5.481 20.171 1.00 74.31 H new ATOM 0 HG3 LYS A 127 20.978 -4.248 21.253 1.00 74.31 H new ATOM 0 HD2 LYS A 127 20.097 -7.163 21.197 1.00 43.24 H new ATOM 0 HD3 LYS A 127 21.156 -6.437 22.389 1.00 43.24 H new ATOM 0 HE2 LYS A 127 18.899 -4.761 22.371 1.00 13.21 H new ATOM 0 HE3 LYS A 127 18.232 -6.373 22.209 1.00 13.21 H new ATOM 0 HZ1 LYS A 127 18.606 -5.517 24.542 1.00 42.40 H new ATOM 0 HZ2 LYS A 127 19.220 -7.065 24.207 1.00 42.40 H new ATOM 0 HZ3 LYS A 127 20.268 -5.731 24.269 1.00 42.40 H new ATOM 1857 N PHE A 128 21.088 -7.661 18.825 1.00 53.42 N ATOM 1858 CA PHE A 128 22.338 -8.288 18.414 1.00 44.33 C ATOM 1859 C PHE A 128 22.075 -9.468 17.483 1.00 51.21 C ATOM 1860 O PHE A 128 22.893 -9.786 16.619 1.00 73.53 O ATOM 1861 CB PHE A 128 23.126 -8.756 19.639 1.00 33.12 C ATOM 1862 CG PHE A 128 23.886 -10.031 19.412 1.00 71.42 C ATOM 1863 CD1 PHE A 128 24.971 -10.063 18.550 1.00 14.53 C ATOM 1864 CD2 PHE A 128 23.516 -11.199 20.060 1.00 2.20 C ATOM 1865 CE1 PHE A 128 25.671 -11.235 18.339 1.00 43.12 C ATOM 1866 CE2 PHE A 128 24.213 -12.374 19.853 1.00 64.22 C ATOM 1867 CZ PHE A 128 25.293 -12.392 18.992 1.00 50.23 C ATOM 0 H PHE A 128 20.609 -8.137 19.590 1.00 53.42 H new ATOM 0 HA PHE A 128 22.926 -7.546 17.874 1.00 44.33 H new ATOM 0 HB2 PHE A 128 23.825 -7.973 19.932 1.00 33.12 H new ATOM 0 HB3 PHE A 128 22.437 -8.896 20.472 1.00 33.12 H new ATOM 0 HD1 PHE A 128 25.273 -9.161 18.038 1.00 14.53 H new ATOM 0 HD2 PHE A 128 22.673 -11.191 20.735 1.00 2.20 H new ATOM 0 HE1 PHE A 128 26.514 -11.247 17.664 1.00 43.12 H new ATOM 0 HE2 PHE A 128 23.914 -13.277 20.364 1.00 64.22 H new ATOM 0 HZ PHE A 128 25.841 -13.309 18.830 1.00 50.23 H new ATOM 1877 N LEU A 129 20.928 -10.113 17.666 1.00 23.21 N ATOM 1878 CA LEU A 129 20.556 -11.259 16.844 1.00 74.21 C ATOM 1879 C LEU A 129 19.386 -10.915 15.928 1.00 53.52 C ATOM 1880 O LEU A 129 18.476 -11.721 15.737 1.00 74.34 O ATOM 1881 CB LEU A 129 20.190 -12.451 17.731 1.00 50.24 C ATOM 1882 CG LEU A 129 21.362 -13.196 18.371 1.00 51.51 C ATOM 1883 CD1 LEU A 129 21.163 -13.312 19.874 1.00 3.52 C ATOM 1884 CD2 LEU A 129 21.525 -14.573 17.745 1.00 54.13 C ATOM 0 H LEU A 129 20.240 -9.862 18.376 1.00 23.21 H new ATOM 0 HA LEU A 129 21.413 -11.524 16.225 1.00 74.21 H new ATOM 0 HB2 LEU A 129 19.532 -12.099 18.525 1.00 50.24 H new ATOM 0 HB3 LEU A 129 19.617 -13.160 17.134 1.00 50.24 H new ATOM 0 HG LEU A 129 22.273 -12.626 18.188 1.00 51.51 H new ATOM 0 HD11 LEU A 129 22.007 -13.845 20.313 1.00 3.52 H new ATOM 0 HD12 LEU A 129 21.097 -12.315 20.310 1.00 3.52 H new ATOM 0 HD13 LEU A 129 20.243 -13.859 20.078 1.00 3.52 H new ATOM 0 HD21 LEU A 129 22.364 -15.088 18.213 1.00 54.13 H new ATOM 0 HD22 LEU A 129 20.614 -15.152 17.896 1.00 54.13 H new ATOM 0 HD23 LEU A 129 21.715 -14.467 16.677 1.00 54.13 H new ATOM 1896 N ARG A 130 19.418 -9.712 15.362 1.00 31.33 N ATOM 1897 CA ARG A 130 18.361 -9.261 14.465 1.00 32.43 C ATOM 1898 C ARG A 130 18.303 -10.131 13.213 1.00 50.13 C ATOM 1899 O ARG A 130 18.964 -9.844 12.214 1.00 74.32 O ATOM 1900 CB ARG A 130 18.584 -7.799 14.074 1.00 34.32 C ATOM 1901 CG ARG A 130 17.295 -7.028 13.839 1.00 31.45 C ATOM 1902 CD ARG A 130 16.462 -6.936 15.108 1.00 30.14 C ATOM 1903 NE ARG A 130 15.571 -5.779 15.095 1.00 34.31 N ATOM 1904 CZ ARG A 130 14.465 -5.712 14.362 1.00 42.34 C ATOM 1905 NH1 ARG A 130 14.117 -6.729 13.586 1.00 31.11 N ATOM 1906 NH2 ARG A 130 13.705 -4.625 14.403 1.00 3.32 N ATOM 0 H ARG A 130 20.165 -9.033 15.509 1.00 31.33 H new ATOM 0 HA ARG A 130 17.410 -9.348 14.991 1.00 32.43 H new ATOM 0 HB2 ARG A 130 19.155 -7.305 14.860 1.00 34.32 H new ATOM 0 HB3 ARG A 130 19.190 -7.762 13.169 1.00 34.32 H new ATOM 0 HG2 ARG A 130 17.529 -6.025 13.483 1.00 31.45 H new ATOM 0 HG3 ARG A 130 16.715 -7.517 13.056 1.00 31.45 H new ATOM 0 HD2 ARG A 130 15.873 -7.846 15.222 1.00 30.14 H new ATOM 0 HD3 ARG A 130 17.123 -6.874 15.972 1.00 30.14 H new ATOM 0 HE ARG A 130 15.811 -4.979 15.680 1.00 34.31 H new ATOM 0 HH11 ARG A 130 14.699 -7.566 13.551 1.00 31.11 H new ATOM 0 HH12 ARG A 130 13.267 -6.675 13.024 1.00 31.11 H new ATOM 0 HH21 ARG A 130 13.970 -3.840 14.998 1.00 3.32 H new ATOM 0 HH22 ARG A 130 12.856 -4.575 13.840 1.00 3.32 H new ATOM 1920 N CYS A 131 17.509 -11.195 13.273 1.00 0.24 N ATOM 1921 CA CYS A 131 17.365 -12.107 12.146 1.00 71.43 C ATOM 1922 C CYS A 131 16.068 -12.904 12.253 1.00 31.11 C ATOM 1923 O CYS A 131 15.345 -12.802 13.243 1.00 11.11 O ATOM 1924 CB CYS A 131 18.559 -13.062 12.079 1.00 13.14 C ATOM 1925 SG CYS A 131 18.549 -14.355 13.362 1.00 34.41 S ATOM 0 H CYS A 131 16.955 -11.446 14.092 1.00 0.24 H new ATOM 0 HA CYS A 131 17.332 -11.513 11.233 1.00 71.43 H new ATOM 0 HB2 CYS A 131 18.575 -13.538 11.099 1.00 13.14 H new ATOM 0 HB3 CYS A 131 19.479 -12.484 12.168 1.00 13.14 H new ATOM 1930 N ASN A 132 15.781 -13.698 11.226 1.00 12.23 N ATOM 1931 CA ASN A 132 14.571 -14.512 11.205 1.00 61.13 C ATOM 1932 C ASN A 132 14.866 -15.937 11.664 1.00 1.33 C ATOM 1933 O ASN A 132 15.607 -16.669 11.010 1.00 62.11 O ATOM 1934 CB ASN A 132 13.970 -14.532 9.798 1.00 61.42 C ATOM 1935 CG ASN A 132 14.540 -13.443 8.910 1.00 15.31 C ATOM 1936 OD1 ASN A 132 15.503 -13.665 8.176 1.00 11.54 O ATOM 1937 ND2 ASN A 132 13.945 -12.257 8.973 1.00 33.15 N ATOM 0 H ASN A 132 16.369 -13.795 10.398 1.00 12.23 H new ATOM 0 HA ASN A 132 13.852 -14.069 11.894 1.00 61.13 H new ATOM 0 HB2 ASN A 132 14.155 -15.504 9.341 1.00 61.42 H new ATOM 0 HB3 ASN A 132 12.889 -14.413 9.866 1.00 61.42 H new ATOM 0 HD21 ASN A 132 14.284 -11.485 8.398 1.00 33.15 H new ATOM 0 HD22 ASN A 132 13.149 -12.118 9.596 1.00 33.15 H new ATOM 1944 N GLU A 133 14.280 -16.322 12.794 1.00 52.33 N ATOM 1945 CA GLU A 133 14.480 -17.659 13.340 1.00 4.44 C ATOM 1946 C GLU A 133 13.211 -18.495 13.212 1.00 73.25 C ATOM 1947 O GLU A 133 13.160 -19.453 12.439 1.00 33.12 O ATOM 1948 CB GLU A 133 14.902 -17.575 14.809 1.00 64.12 C ATOM 1949 CG GLU A 133 15.934 -16.495 15.085 1.00 3.41 C ATOM 1950 CD GLU A 133 15.309 -15.126 15.275 1.00 64.11 C ATOM 1951 OE1 GLU A 133 14.064 -15.037 15.279 1.00 30.35 O ATOM 1952 OE2 GLU A 133 16.067 -14.144 15.419 1.00 11.43 O ATOM 0 H GLU A 133 13.664 -15.727 13.348 1.00 52.33 H new ATOM 0 HA GLU A 133 15.272 -18.143 12.768 1.00 4.44 H new ATOM 0 HB2 GLU A 133 14.020 -17.388 15.421 1.00 64.12 H new ATOM 0 HB3 GLU A 133 15.306 -18.539 15.118 1.00 64.12 H new ATOM 0 HG2 GLU A 133 16.501 -16.759 15.978 1.00 3.41 H new ATOM 0 HG3 GLU A 133 16.643 -16.455 14.258 1.00 3.41 H new ATOM 1959 N THR A 134 12.186 -18.127 13.974 1.00 2.25 N ATOM 1960 CA THR A 134 10.917 -18.843 13.948 1.00 41.01 C ATOM 1961 C THR A 134 10.103 -18.473 12.714 1.00 54.23 C ATOM 1962 O THR A 134 9.030 -19.030 12.475 1.00 43.22 O ATOM 1963 CB THR A 134 10.081 -18.550 15.208 1.00 74.52 C ATOM 1964 OG1 THR A 134 9.468 -17.261 15.101 1.00 40.44 O ATOM 1965 CG2 THR A 134 10.947 -18.604 16.457 1.00 11.21 C ATOM 0 H THR A 134 12.210 -17.336 14.618 1.00 2.25 H new ATOM 0 HA THR A 134 11.154 -19.906 13.918 1.00 41.01 H new ATOM 0 HB THR A 134 9.307 -19.313 15.289 1.00 74.52 H new ATOM 0 HG1 THR A 134 8.937 -17.083 15.905 1.00 40.44 H new ATOM 0 HG21 THR A 134 10.334 -18.394 17.334 1.00 11.21 H new ATOM 0 HG22 THR A 134 11.388 -19.596 16.552 1.00 11.21 H new ATOM 0 HG23 THR A 134 11.740 -17.860 16.382 1.00 11.21 H new ATOM 1973 N LEU A 135 10.618 -17.531 11.932 1.00 54.53 N ATOM 1974 CA LEU A 135 9.938 -17.086 10.720 1.00 72.11 C ATOM 1975 C LEU A 135 10.148 -18.080 9.582 1.00 42.31 C ATOM 1976 O LEU A 135 9.265 -18.280 8.748 1.00 62.24 O ATOM 1977 CB LEU A 135 10.444 -15.704 10.305 1.00 2.52 C ATOM 1978 CG LEU A 135 10.197 -14.571 11.302 1.00 33.15 C ATOM 1979 CD1 LEU A 135 10.629 -13.237 10.714 1.00 61.33 C ATOM 1980 CD2 LEU A 135 8.730 -14.527 11.707 1.00 62.54 C ATOM 0 H LEU A 135 11.504 -17.060 12.115 1.00 54.53 H new ATOM 0 HA LEU A 135 8.871 -17.026 10.933 1.00 72.11 H new ATOM 0 HB2 LEU A 135 11.516 -15.772 10.121 1.00 2.52 H new ATOM 0 HB3 LEU A 135 9.975 -15.437 9.358 1.00 2.52 H new ATOM 0 HG LEU A 135 10.795 -14.762 12.193 1.00 33.15 H new ATOM 0 HD11 LEU A 135 10.445 -12.444 11.438 1.00 61.33 H new ATOM 0 HD12 LEU A 135 11.692 -13.272 10.476 1.00 61.33 H new ATOM 0 HD13 LEU A 135 10.060 -13.038 9.806 1.00 61.33 H new ATOM 0 HD21 LEU A 135 8.573 -13.715 12.417 1.00 62.54 H new ATOM 0 HD22 LEU A 135 8.113 -14.361 10.824 1.00 62.54 H new ATOM 0 HD23 LEU A 135 8.452 -15.473 12.171 1.00 62.54 H new ATOM 1992 N PHE A 136 11.323 -18.701 9.555 1.00 14.22 N ATOM 1993 CA PHE A 136 11.649 -19.675 8.520 1.00 31.14 C ATOM 1994 C PHE A 136 11.591 -19.037 7.135 1.00 24.34 C ATOM 1995 O PHE A 136 10.732 -19.355 6.313 1.00 13.32 O ATOM 1996 CB PHE A 136 10.687 -20.863 8.587 1.00 22.34 C ATOM 1997 CG PHE A 136 11.129 -21.939 9.538 1.00 32.00 C ATOM 1998 CD1 PHE A 136 11.612 -21.615 10.796 1.00 52.14 C ATOM 1999 CD2 PHE A 136 11.060 -23.274 9.174 1.00 25.24 C ATOM 2000 CE1 PHE A 136 12.020 -22.603 11.672 1.00 54.11 C ATOM 2001 CE2 PHE A 136 11.466 -24.267 10.047 1.00 44.33 C ATOM 2002 CZ PHE A 136 11.946 -23.930 11.298 1.00 74.45 C ATOM 0 H PHE A 136 12.065 -18.547 10.238 1.00 14.22 H new ATOM 0 HA PHE A 136 12.665 -20.028 8.696 1.00 31.14 H new ATOM 0 HB2 PHE A 136 9.702 -20.506 8.887 1.00 22.34 H new ATOM 0 HB3 PHE A 136 10.581 -21.291 7.590 1.00 22.34 H new ATOM 0 HD1 PHE A 136 11.670 -20.579 11.095 1.00 52.14 H new ATOM 0 HD2 PHE A 136 10.685 -23.542 8.197 1.00 25.24 H new ATOM 0 HE1 PHE A 136 12.397 -22.337 12.649 1.00 54.11 H new ATOM 0 HE2 PHE A 136 11.408 -25.304 9.751 1.00 44.33 H new ATOM 0 HZ PHE A 136 12.263 -24.703 11.982 1.00 74.45 H new ATOM 2012 N PRO A 137 12.528 -18.115 6.870 1.00 43.10 N ATOM 2013 CA PRO A 137 12.606 -17.412 5.586 1.00 63.53 C ATOM 2014 C PRO A 137 13.047 -18.329 4.449 1.00 20.05 C ATOM 2015 O PRO A 137 12.417 -18.373 3.392 1.00 11.43 O ATOM 2016 CB PRO A 137 13.658 -16.329 5.837 1.00 12.02 C ATOM 2017 CG PRO A 137 14.503 -16.870 6.938 1.00 64.01 C ATOM 2018 CD PRO A 137 13.584 -17.687 7.803 1.00 21.01 C ATOM 0 HA PRO A 137 11.637 -17.020 5.277 1.00 63.53 H new ATOM 0 HB2 PRO A 137 14.250 -16.137 4.942 1.00 12.02 H new ATOM 0 HB3 PRO A 137 13.194 -15.385 6.121 1.00 12.02 H new ATOM 0 HG2 PRO A 137 15.314 -17.482 6.543 1.00 64.01 H new ATOM 0 HG3 PRO A 137 14.962 -16.064 7.510 1.00 64.01 H new ATOM 0 HD2 PRO A 137 14.100 -18.540 8.244 1.00 21.01 H new ATOM 0 HD3 PRO A 137 13.179 -17.099 8.626 1.00 21.01 H new ATOM 2026 N THR A 138 14.134 -19.062 4.674 1.00 55.33 N ATOM 2027 CA THR A 138 14.659 -19.977 3.669 1.00 50.03 C ATOM 2028 C THR A 138 14.727 -19.310 2.300 1.00 73.25 C ATOM 2029 O THR A 138 13.787 -19.395 1.509 1.00 54.50 O ATOM 2030 CB THR A 138 13.799 -21.251 3.565 1.00 42.12 C ATOM 2031 OG1 THR A 138 12.472 -20.913 3.146 1.00 62.52 O ATOM 2032 CG2 THR A 138 13.746 -21.978 4.900 1.00 55.11 C ATOM 0 H THR A 138 14.667 -19.039 5.543 1.00 55.33 H new ATOM 0 HA THR A 138 15.665 -20.252 3.986 1.00 50.03 H new ATOM 0 HB THR A 138 14.255 -21.912 2.828 1.00 42.12 H new ATOM 0 HG1 THR A 138 12.480 -20.034 2.713 1.00 62.52 H new ATOM 0 HG21 THR A 138 13.133 -22.874 4.802 1.00 55.11 H new ATOM 0 HG22 THR A 138 14.755 -22.259 5.201 1.00 55.11 H new ATOM 0 HG23 THR A 138 13.312 -21.322 5.654 1.00 55.11 H new ATOM 2040 N LYS A 139 15.845 -18.647 2.024 1.00 31.51 N ATOM 2041 CA LYS A 139 16.037 -17.967 0.749 1.00 62.11 C ATOM 2042 C LYS A 139 15.812 -18.924 -0.418 1.00 1.24 C ATOM 2043 O LYS A 139 14.782 -18.867 -1.090 1.00 31.24 O ATOM 2044 CB LYS A 139 17.446 -17.374 0.671 1.00 12.13 C ATOM 2045 CG LYS A 139 18.528 -18.409 0.417 1.00 4.44 C ATOM 2046 CD LYS A 139 18.830 -18.548 -1.065 1.00 50.23 C ATOM 2047 CE LYS A 139 19.295 -19.954 -1.410 1.00 24.22 C ATOM 2048 NZ LYS A 139 19.551 -20.112 -2.868 1.00 74.44 N ATOM 0 H LYS A 139 16.633 -18.566 2.667 1.00 31.51 H new ATOM 0 HA LYS A 139 15.306 -17.162 0.682 1.00 62.11 H new ATOM 0 HB2 LYS A 139 17.474 -16.629 -0.124 1.00 12.13 H new ATOM 0 HB3 LYS A 139 17.664 -16.854 1.604 1.00 12.13 H new ATOM 0 HG2 LYS A 139 19.436 -18.125 0.949 1.00 4.44 H new ATOM 0 HG3 LYS A 139 18.212 -19.373 0.817 1.00 4.44 H new ATOM 0 HD2 LYS A 139 17.938 -18.307 -1.643 1.00 50.23 H new ATOM 0 HD3 LYS A 139 19.599 -17.829 -1.350 1.00 50.23 H new ATOM 0 HE2 LYS A 139 20.205 -20.182 -0.855 1.00 24.22 H new ATOM 0 HE3 LYS A 139 18.540 -20.674 -1.094 1.00 24.22 H new ATOM 0 HZ1 LYS A 139 19.866 -21.084 -3.062 1.00 74.44 H new ATOM 0 HZ2 LYS A 139 18.676 -19.920 -3.397 1.00 74.44 H new ATOM 0 HZ3 LYS A 139 20.290 -19.443 -3.165 1.00 74.44 H new TER 2062 LYS A 139