USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 1171 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 88 LYS NZ :NH3+ 164:sc= 1.35 (180deg=-0.442) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.876 K(o=2.2,f=-11!) USER MOD Set 2.1: A 77 CYS SG : rot 180:sc= 0.0455 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 76 GLN :FLIP amide:sc= 0.324 F(o=0.31,f=1.2) USER MOD Set 3.2: A 83 SER OG : rot -87:sc= 0.832 USER MOD Set 4.1: A 73 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 66 TYR OH : rot -119:sc= -0.46! USER MOD Set 5.2: A 110 SER OG : rot -94:sc= 1.91 USER MOD Set 6.1: A 22 LYS NZ :NH3+ 177:sc= 2.31 (180deg=1.08) USER MOD Set 6.2: A 87 GLN : amide:sc= 1.06 K(o=3.4,f=-6.5!) USER MOD Set 7.1: A 15 TYR OH : rot 25:sc= 1.63 USER MOD Set 7.2: A 19 LYS NZ :NH3+ -171:sc= 1.1 (180deg=0) USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.596) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.708 (180deg=-0.313!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 66:sc= 2.28 USER MOD Single : A 11 CYS SG : rot 10:sc= -0.943 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.06) USER MOD Single : A 13 THR OG1 : rot 63:sc= 0.376 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 136:sc= 1.32 (180deg=0.902) USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= -0.295! (180deg=-0.459) USER MOD Single : A 24 HIS : no HD1:sc=-0.00108 X(o=-0.0011,f=-0.067) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 30 TYR OH : rot 37:sc= 1.1 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 1.06 (180deg=1.03) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc=-0.00212 X(o=-0.0021,f=0) USER MOD Single : A 49 TYR OH : rot 2:sc= 0.0189 USER MOD Single : A 51 GLN : amide:sc= -0.165 K(o=-0.17,f=-5.9!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.74 F(o=-3.9!,f=-1.7) USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= 2.24 (180deg=0.374) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot -137:sc= 0.146 USER MOD Single : A 74 MET CE :methyl 160:sc= -0.121 (180deg=-0.66) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.13) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 1.06 (180deg=-0.193!) USER MOD Single : A 92 MET CE :methyl -151:sc= -0.0267 (180deg=-1.11) USER MOD Single : A 93 SER OG : rot -155:sc= 0.342 USER MOD Single : A 95 CYS SG : rot -51:sc= -2.88! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 1.61 (180deg=1.61) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -170:sc= -0.255 USER MOD Single : A 109 SER OG : rot 168:sc= 0.656 USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.663) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 130:sc= -0.229 USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= -0.003 (180deg=-0.101) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN :FLIP amide:sc= -3.15! C(o=-4.3!,f=-3.1!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 86:sc= 1.29 USER MOD Single : A 134 SER OG : rot 180:sc= -0.639 USER MOD Single : A 141 LYS NZ :NH3+ 155:sc= 0.414 (180deg=0.0584) USER MOD Single : A 145 THR OG1 : rot 90:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.353 -1.320 -1.444 1.00 20.43 N ATOM 2 CA MET A 1 1.673 -0.417 -2.573 1.00 1.24 C ATOM 3 C MET A 1 2.742 -1.054 -3.449 1.00 43.23 C ATOM 4 O MET A 1 2.661 -0.994 -4.678 1.00 14.52 O ATOM 5 CB MET A 1 2.167 0.947 -2.068 1.00 2.31 C ATOM 6 CG MET A 1 1.238 1.630 -1.073 1.00 52.43 C ATOM 7 SD MET A 1 1.139 0.779 0.519 1.00 33.32 S ATOM 8 CE MET A 1 0.032 1.864 1.416 1.00 64.10 C ATOM 0 H1 MET A 1 0.350 -1.592 -1.490 1.00 20.43 H new ATOM 0 H2 MET A 1 1.946 -2.173 -1.503 1.00 20.43 H new ATOM 0 H3 MET A 1 1.538 -0.831 -0.545 1.00 20.43 H new ATOM 0 HA MET A 1 0.764 -0.259 -3.153 1.00 1.24 H new ATOM 0 HB2 MET A 1 3.143 0.815 -1.602 1.00 2.31 H new ATOM 0 HB3 MET A 1 2.309 1.607 -2.924 1.00 2.31 H new ATOM 0 HG2 MET A 1 1.581 2.652 -0.910 1.00 52.43 H new ATOM 0 HG3 MET A 1 0.239 1.694 -1.505 1.00 52.43 H new ATOM 0 HE1 MET A 1 0.144 1.694 2.487 1.00 64.10 H new ATOM 0 HE2 MET A 1 0.274 2.902 1.186 1.00 64.10 H new ATOM 0 HE3 MET A 1 -0.997 1.658 1.122 1.00 64.10 H new ATOM 20 N ALA A 2 3.738 -1.662 -2.796 1.00 74.14 N ATOM 21 CA ALA A 2 4.815 -2.386 -3.474 1.00 21.34 C ATOM 22 C ALA A 2 5.604 -1.490 -4.426 1.00 43.12 C ATOM 23 O ALA A 2 5.486 -0.266 -4.395 1.00 53.14 O ATOM 24 CB ALA A 2 4.256 -3.593 -4.216 1.00 41.54 C ATOM 0 H ALA A 2 3.819 -1.665 -1.779 1.00 74.14 H new ATOM 0 HA ALA A 2 5.509 -2.728 -2.707 1.00 21.34 H new ATOM 0 HB1 ALA A 2 5.068 -4.121 -4.715 1.00 41.54 H new ATOM 0 HB2 ALA A 2 3.769 -4.263 -3.507 1.00 41.54 H new ATOM 0 HB3 ALA A 2 3.530 -3.260 -4.958 1.00 41.54 H new ATOM 30 N SER A 3 6.455 -2.109 -5.229 1.00 34.44 N ATOM 31 CA SER A 3 7.159 -1.407 -6.290 1.00 53.10 C ATOM 32 C SER A 3 6.828 -2.046 -7.636 1.00 74.45 C ATOM 33 O SER A 3 7.010 -1.441 -8.696 1.00 43.12 O ATOM 34 CB SER A 3 8.663 -1.433 -6.024 1.00 0.42 C ATOM 35 OG SER A 3 8.945 -0.938 -4.725 1.00 33.34 O ATOM 0 H SER A 3 6.676 -3.103 -5.165 1.00 34.44 H new ATOM 0 HA SER A 3 6.838 -0.366 -6.315 1.00 53.10 H new ATOM 0 HB2 SER A 3 9.038 -2.452 -6.121 1.00 0.42 H new ATOM 0 HB3 SER A 3 9.181 -0.830 -6.770 1.00 0.42 H new ATOM 0 HG SER A 3 9.912 -0.962 -4.568 1.00 33.34 H new ATOM 41 N GLY A 4 6.334 -3.278 -7.575 1.00 22.21 N ATOM 42 CA GLY A 4 5.865 -3.959 -8.761 1.00 65.12 C ATOM 43 C GLY A 4 4.353 -3.971 -8.818 1.00 2.14 C ATOM 44 O GLY A 4 3.702 -4.675 -8.046 1.00 60.40 O ATOM 0 H GLY A 4 6.251 -3.819 -6.714 1.00 22.21 H new ATOM 0 HA2 GLY A 4 6.262 -3.466 -9.648 1.00 65.12 H new ATOM 0 HA3 GLY A 4 6.241 -4.982 -8.770 1.00 65.12 H new ATOM 48 N VAL A 5 3.797 -3.182 -9.721 1.00 2.03 N ATOM 49 CA VAL A 5 2.356 -3.009 -9.808 1.00 5.10 C ATOM 50 C VAL A 5 1.763 -3.888 -10.909 1.00 41.04 C ATOM 51 O VAL A 5 2.375 -4.087 -11.961 1.00 33.33 O ATOM 52 CB VAL A 5 2.005 -1.522 -10.058 1.00 14.14 C ATOM 53 CG1 VAL A 5 0.510 -1.318 -10.214 1.00 1.11 C ATOM 54 CG2 VAL A 5 2.538 -0.660 -8.925 1.00 72.43 C ATOM 0 H VAL A 5 4.326 -2.647 -10.410 1.00 2.03 H new ATOM 0 HA VAL A 5 1.921 -3.317 -8.857 1.00 5.10 H new ATOM 0 HB VAL A 5 2.479 -1.221 -10.992 1.00 14.14 H new ATOM 0 HG11 VAL A 5 0.303 -0.262 -10.388 1.00 1.11 H new ATOM 0 HG12 VAL A 5 0.149 -1.903 -11.060 1.00 1.11 H new ATOM 0 HG13 VAL A 5 0.002 -1.643 -9.306 1.00 1.11 H new ATOM 0 HG21 VAL A 5 2.285 0.384 -9.112 1.00 72.43 H new ATOM 0 HG22 VAL A 5 2.090 -0.979 -7.984 1.00 72.43 H new ATOM 0 HG23 VAL A 5 3.621 -0.766 -8.866 1.00 72.43 H new ATOM 64 N THR A 6 0.573 -4.416 -10.654 1.00 62.35 N ATOM 65 CA THR A 6 -0.097 -5.297 -11.598 1.00 23.13 C ATOM 66 C THR A 6 -1.148 -4.540 -12.404 1.00 71.25 C ATOM 67 O THR A 6 -1.899 -3.737 -11.858 1.00 74.40 O ATOM 68 CB THR A 6 -0.756 -6.481 -10.864 1.00 3.23 C ATOM 69 OG1 THR A 6 0.249 -7.244 -10.184 1.00 33.52 O ATOM 70 CG2 THR A 6 -1.515 -7.375 -11.834 1.00 71.34 C ATOM 0 H THR A 6 0.050 -4.247 -9.795 1.00 62.35 H new ATOM 0 HA THR A 6 0.658 -5.681 -12.285 1.00 23.13 H new ATOM 0 HB THR A 6 -1.468 -6.084 -10.141 1.00 3.23 H new ATOM 0 HG1 THR A 6 -0.171 -7.996 -9.716 1.00 33.52 H new ATOM 0 HG21 THR A 6 -1.969 -8.202 -11.288 1.00 71.34 H new ATOM 0 HG22 THR A 6 -2.294 -6.796 -12.329 1.00 71.34 H new ATOM 0 HG23 THR A 6 -0.826 -7.769 -12.581 1.00 71.34 H new ATOM 78 N VAL A 7 -1.189 -4.795 -13.703 1.00 55.40 N ATOM 79 CA VAL A 7 -2.122 -4.114 -14.590 1.00 25.55 C ATOM 80 C VAL A 7 -3.387 -4.951 -14.802 1.00 1.24 C ATOM 81 O VAL A 7 -3.311 -6.171 -14.959 1.00 2.22 O ATOM 82 CB VAL A 7 -1.466 -3.828 -15.960 1.00 3.01 C ATOM 83 CG1 VAL A 7 -2.358 -2.961 -16.832 1.00 54.11 C ATOM 84 CG2 VAL A 7 -0.107 -3.173 -15.779 1.00 33.14 C ATOM 0 H VAL A 7 -0.584 -5.472 -14.169 1.00 55.40 H new ATOM 0 HA VAL A 7 -2.394 -3.170 -14.117 1.00 25.55 H new ATOM 0 HB VAL A 7 -1.329 -4.784 -16.465 1.00 3.01 H new ATOM 0 HG11 VAL A 7 -1.867 -2.779 -17.788 1.00 54.11 H new ATOM 0 HG12 VAL A 7 -3.306 -3.471 -17.003 1.00 54.11 H new ATOM 0 HG13 VAL A 7 -2.542 -2.010 -16.332 1.00 54.11 H new ATOM 0 HG21 VAL A 7 0.337 -2.980 -16.756 1.00 33.14 H new ATOM 0 HG22 VAL A 7 -0.225 -2.232 -15.242 1.00 33.14 H new ATOM 0 HG23 VAL A 7 0.544 -3.836 -15.209 1.00 33.14 H new ATOM 94 N SER A 8 -4.545 -4.299 -14.783 1.00 1.51 N ATOM 95 CA SER A 8 -5.800 -4.966 -15.106 1.00 0.41 C ATOM 96 C SER A 8 -6.007 -4.987 -16.615 1.00 45.45 C ATOM 97 O SER A 8 -5.517 -4.106 -17.327 1.00 54.11 O ATOM 98 CB SER A 8 -6.977 -4.263 -14.430 1.00 63.03 C ATOM 99 OG SER A 8 -6.817 -4.241 -13.024 1.00 32.55 O ATOM 0 H SER A 8 -4.640 -3.311 -14.548 1.00 1.51 H new ATOM 0 HA SER A 8 -5.749 -5.990 -14.736 1.00 0.41 H new ATOM 0 HB2 SER A 8 -7.060 -3.243 -14.806 1.00 63.03 H new ATOM 0 HB3 SER A 8 -7.905 -4.774 -14.686 1.00 63.03 H new ATOM 0 HG SER A 8 -6.045 -3.684 -12.791 1.00 32.55 H new ATOM 105 N ASP A 9 -6.747 -5.981 -17.095 1.00 72.42 N ATOM 106 CA ASP A 9 -6.985 -6.147 -18.527 1.00 21.30 C ATOM 107 C ASP A 9 -7.721 -4.940 -19.102 1.00 40.51 C ATOM 108 O ASP A 9 -7.508 -4.573 -20.257 1.00 12.42 O ATOM 109 CB ASP A 9 -7.785 -7.425 -18.792 1.00 14.24 C ATOM 110 CG ASP A 9 -7.827 -7.799 -20.262 1.00 72.13 C ATOM 111 OD1 ASP A 9 -6.815 -8.319 -20.775 1.00 50.44 O ATOM 112 OD2 ASP A 9 -8.882 -7.604 -20.904 1.00 34.12 O ATOM 0 H ASP A 9 -7.195 -6.688 -16.511 1.00 72.42 H new ATOM 0 HA ASP A 9 -6.017 -6.227 -19.022 1.00 21.30 H new ATOM 0 HB2 ASP A 9 -7.347 -8.246 -18.225 1.00 14.24 H new ATOM 0 HB3 ASP A 9 -8.803 -7.293 -18.426 1.00 14.24 H new ATOM 117 N VAL A 10 -8.559 -4.304 -18.275 1.00 21.31 N ATOM 118 CA VAL A 10 -9.334 -3.133 -18.699 1.00 22.21 C ATOM 119 C VAL A 10 -8.408 -2.003 -19.154 1.00 74.31 C ATOM 120 O VAL A 10 -8.786 -1.160 -19.970 1.00 34.21 O ATOM 121 CB VAL A 10 -10.274 -2.610 -17.574 1.00 74.22 C ATOM 122 CG1 VAL A 10 -11.380 -1.747 -18.162 1.00 2.32 C ATOM 123 CG2 VAL A 10 -10.871 -3.767 -16.789 1.00 23.11 C ATOM 0 H VAL A 10 -8.718 -4.582 -17.306 1.00 21.31 H new ATOM 0 HA VAL A 10 -9.954 -3.456 -19.535 1.00 22.21 H new ATOM 0 HB VAL A 10 -9.681 -2.001 -16.892 1.00 74.22 H new ATOM 0 HG11 VAL A 10 -12.028 -1.390 -17.361 1.00 2.32 H new ATOM 0 HG12 VAL A 10 -10.940 -0.895 -18.680 1.00 2.32 H new ATOM 0 HG13 VAL A 10 -11.966 -2.337 -18.867 1.00 2.32 H new ATOM 0 HG21 VAL A 10 -11.524 -3.378 -16.008 1.00 23.11 H new ATOM 0 HG22 VAL A 10 -11.447 -4.403 -17.461 1.00 23.11 H new ATOM 0 HG23 VAL A 10 -10.070 -4.350 -16.335 1.00 23.11 H new ATOM 133 N CYS A 11 -7.182 -2.006 -18.642 1.00 74.45 N ATOM 134 CA CYS A 11 -6.204 -0.997 -19.016 1.00 62.34 C ATOM 135 C CYS A 11 -5.708 -1.238 -20.435 1.00 35.04 C ATOM 136 O CYS A 11 -5.583 -0.302 -21.228 1.00 5.03 O ATOM 137 CB CYS A 11 -5.029 -0.992 -18.034 1.00 52.21 C ATOM 138 SG CYS A 11 -3.741 0.217 -18.421 1.00 40.20 S ATOM 0 H CYS A 11 -6.845 -2.694 -17.969 1.00 74.45 H new ATOM 0 HA CYS A 11 -6.688 -0.021 -18.977 1.00 62.34 H new ATOM 0 HB2 CYS A 11 -5.409 -0.793 -17.032 1.00 52.21 H new ATOM 0 HB3 CYS A 11 -4.583 -1.986 -18.014 1.00 52.21 H new ATOM 0 HG CYS A 11 -4.159 1.011 -19.362 1.00 40.20 H new ATOM 144 N LYS A 12 -5.454 -2.500 -20.767 1.00 25.53 N ATOM 145 CA LYS A 12 -4.933 -2.835 -22.082 1.00 40.34 C ATOM 146 C LYS A 12 -6.031 -2.698 -23.128 1.00 3.43 C ATOM 147 O LYS A 12 -5.757 -2.371 -24.280 1.00 14.04 O ATOM 148 CB LYS A 12 -4.356 -4.254 -22.113 1.00 4.14 C ATOM 149 CG LYS A 12 -3.337 -4.454 -23.230 1.00 35.10 C ATOM 150 CD LYS A 12 -3.605 -5.708 -24.048 1.00 64.02 C ATOM 151 CE LYS A 12 -4.950 -5.639 -24.753 1.00 4.05 C ATOM 152 NZ LYS A 12 -5.050 -6.624 -25.861 1.00 52.10 N ATOM 0 H LYS A 12 -5.600 -3.298 -20.149 1.00 25.53 H new ATOM 0 HA LYS A 12 -4.125 -2.139 -22.309 1.00 40.34 H new ATOM 0 HB2 LYS A 12 -3.884 -4.470 -21.154 1.00 4.14 H new ATOM 0 HB3 LYS A 12 -5.169 -4.969 -22.237 1.00 4.14 H new ATOM 0 HG2 LYS A 12 -3.350 -3.585 -23.888 1.00 35.10 H new ATOM 0 HG3 LYS A 12 -2.338 -4.512 -22.799 1.00 35.10 H new ATOM 0 HD2 LYS A 12 -2.813 -5.838 -24.786 1.00 64.02 H new ATOM 0 HD3 LYS A 12 -3.580 -6.581 -23.396 1.00 64.02 H new ATOM 0 HE2 LYS A 12 -5.747 -5.822 -24.032 1.00 4.05 H new ATOM 0 HE3 LYS A 12 -5.102 -4.634 -25.147 1.00 4.05 H new ATOM 0 HZ1 LYS A 12 -6.015 -6.614 -26.248 1.00 52.10 H new ATOM 0 HZ2 LYS A 12 -4.374 -6.373 -26.610 1.00 52.10 H new ATOM 0 HZ3 LYS A 12 -4.831 -7.575 -25.501 1.00 52.10 H new ATOM 166 N THR A 13 -7.273 -2.943 -22.715 1.00 33.23 N ATOM 167 CA THR A 13 -8.425 -2.793 -23.598 1.00 64.24 C ATOM 168 C THR A 13 -8.439 -1.403 -24.235 1.00 63.01 C ATOM 169 O THR A 13 -8.694 -1.250 -25.430 1.00 53.31 O ATOM 170 CB THR A 13 -9.744 -3.005 -22.827 1.00 13.31 C ATOM 171 OG1 THR A 13 -9.663 -4.202 -22.046 1.00 51.45 O ATOM 172 CG2 THR A 13 -10.928 -3.101 -23.779 1.00 64.31 C ATOM 0 H THR A 13 -7.507 -3.248 -21.770 1.00 33.23 H new ATOM 0 HA THR A 13 -8.340 -3.550 -24.377 1.00 64.24 H new ATOM 0 HB THR A 13 -9.895 -2.146 -22.173 1.00 13.31 H new ATOM 0 HG1 THR A 13 -8.957 -4.106 -21.373 1.00 51.45 H new ATOM 0 HG21 THR A 13 -11.844 -3.250 -23.207 1.00 64.31 H new ATOM 0 HG22 THR A 13 -11.007 -2.180 -24.356 1.00 64.31 H new ATOM 0 HG23 THR A 13 -10.783 -3.942 -24.457 1.00 64.31 H new ATOM 180 N THR A 14 -8.140 -0.395 -23.428 1.00 12.32 N ATOM 181 CA THR A 14 -8.109 0.973 -23.905 1.00 25.02 C ATOM 182 C THR A 14 -6.825 1.246 -24.689 1.00 64.12 C ATOM 183 O THR A 14 -6.871 1.776 -25.802 1.00 24.22 O ATOM 184 CB THR A 14 -8.220 1.968 -22.735 1.00 51.53 C ATOM 185 OG1 THR A 14 -9.350 1.633 -21.920 1.00 24.35 O ATOM 186 CG2 THR A 14 -8.370 3.392 -23.249 1.00 2.21 C ATOM 0 H THR A 14 -7.916 -0.503 -22.439 1.00 12.32 H new ATOM 0 HA THR A 14 -8.965 1.110 -24.566 1.00 25.02 H new ATOM 0 HB THR A 14 -7.307 1.905 -22.143 1.00 51.53 H new ATOM 0 HG1 THR A 14 -9.416 2.267 -21.176 1.00 24.35 H new ATOM 0 HG21 THR A 14 -8.447 4.077 -22.405 1.00 2.21 H new ATOM 0 HG22 THR A 14 -7.501 3.655 -23.852 1.00 2.21 H new ATOM 0 HG23 THR A 14 -9.270 3.466 -23.859 1.00 2.21 H new ATOM 194 N TYR A 15 -5.689 0.852 -24.113 1.00 12.32 N ATOM 195 CA TYR A 15 -4.378 1.128 -24.704 1.00 1.22 C ATOM 196 C TYR A 15 -4.235 0.491 -26.088 1.00 53.13 C ATOM 197 O TYR A 15 -3.666 1.094 -26.999 1.00 20.05 O ATOM 198 CB TYR A 15 -3.261 0.627 -23.778 1.00 53.53 C ATOM 199 CG TYR A 15 -1.866 0.833 -24.333 1.00 63.13 C ATOM 200 CD1 TYR A 15 -1.272 2.090 -24.332 1.00 23.31 C ATOM 201 CD2 TYR A 15 -1.147 -0.230 -24.865 1.00 13.41 C ATOM 202 CE1 TYR A 15 -0.002 2.280 -24.844 1.00 24.14 C ATOM 203 CE2 TYR A 15 0.123 -0.048 -25.380 1.00 1.34 C ATOM 204 CZ TYR A 15 0.691 1.208 -25.366 1.00 21.44 C ATOM 205 OH TYR A 15 1.954 1.395 -25.885 1.00 13.01 O ATOM 0 H TYR A 15 -5.650 0.338 -23.233 1.00 12.32 H new ATOM 0 HA TYR A 15 -4.292 2.208 -24.823 1.00 1.22 H new ATOM 0 HB2 TYR A 15 -3.340 1.140 -22.819 1.00 53.53 H new ATOM 0 HB3 TYR A 15 -3.412 -0.435 -23.585 1.00 53.53 H new ATOM 0 HD1 TYR A 15 -1.812 2.932 -23.924 1.00 23.31 H new ATOM 0 HD2 TYR A 15 -1.588 -1.216 -24.876 1.00 13.41 H new ATOM 0 HE1 TYR A 15 0.445 3.263 -24.835 1.00 24.14 H new ATOM 0 HE2 TYR A 15 0.667 -0.885 -25.791 1.00 1.34 H new ATOM 0 HH TYR A 15 2.362 2.187 -25.476 1.00 13.01 H new ATOM 215 N GLU A 16 -4.763 -0.720 -26.233 1.00 33.23 N ATOM 216 CA GLU A 16 -4.688 -1.462 -27.490 1.00 61.21 C ATOM 217 C GLU A 16 -5.248 -0.633 -28.644 1.00 41.15 C ATOM 218 O GLU A 16 -4.649 -0.550 -29.716 1.00 74.52 O ATOM 219 CB GLU A 16 -5.473 -2.773 -27.360 1.00 11.41 C ATOM 220 CG GLU A 16 -5.273 -3.742 -28.514 1.00 35.11 C ATOM 221 CD GLU A 16 -3.883 -4.342 -28.539 1.00 52.20 C ATOM 222 OE1 GLU A 16 -3.575 -5.171 -27.653 1.00 52.11 O ATOM 223 OE2 GLU A 16 -3.098 -4.005 -29.449 1.00 62.34 O ATOM 0 H GLU A 16 -5.253 -1.214 -25.487 1.00 33.23 H new ATOM 0 HA GLU A 16 -3.642 -1.682 -27.703 1.00 61.21 H new ATOM 0 HB2 GLU A 16 -5.182 -3.266 -26.433 1.00 11.41 H new ATOM 0 HB3 GLU A 16 -6.535 -2.540 -27.277 1.00 11.41 H new ATOM 0 HG2 GLU A 16 -6.009 -4.543 -28.442 1.00 35.11 H new ATOM 0 HG3 GLU A 16 -5.457 -3.223 -29.455 1.00 35.11 H new ATOM 230 N GLU A 17 -6.401 -0.017 -28.417 1.00 62.14 N ATOM 231 CA GLU A 17 -7.047 0.778 -29.451 1.00 23.43 C ATOM 232 C GLU A 17 -6.521 2.206 -29.503 1.00 33.21 C ATOM 233 O GLU A 17 -6.309 2.741 -30.581 1.00 52.45 O ATOM 234 CB GLU A 17 -8.559 0.825 -29.255 1.00 11.42 C ATOM 235 CG GLU A 17 -9.264 -0.490 -29.523 1.00 0.54 C ATOM 236 CD GLU A 17 -10.756 -0.300 -29.652 1.00 21.43 C ATOM 237 OE1 GLU A 17 -11.407 0.022 -28.637 1.00 14.41 O ATOM 238 OE2 GLU A 17 -11.281 -0.435 -30.776 1.00 44.43 O ATOM 0 H GLU A 17 -6.905 -0.053 -27.531 1.00 62.14 H new ATOM 0 HA GLU A 17 -6.811 0.283 -30.393 1.00 23.43 H new ATOM 0 HB2 GLU A 17 -8.772 1.136 -28.232 1.00 11.42 H new ATOM 0 HB3 GLU A 17 -8.975 1.588 -29.913 1.00 11.42 H new ATOM 0 HG2 GLU A 17 -8.872 -0.935 -30.438 1.00 0.54 H new ATOM 0 HG3 GLU A 17 -9.054 -1.189 -28.713 1.00 0.54 H new ATOM 245 N ILE A 18 -6.311 2.821 -28.347 1.00 62.53 N ATOM 246 CA ILE A 18 -6.085 4.267 -28.282 1.00 71.24 C ATOM 247 C ILE A 18 -4.860 4.716 -29.089 1.00 53.30 C ATOM 248 O ILE A 18 -4.893 5.758 -29.732 1.00 22.33 O ATOM 249 CB ILE A 18 -5.977 4.770 -26.823 1.00 73.51 C ATOM 250 CG1 ILE A 18 -6.046 6.299 -26.783 1.00 14.32 C ATOM 251 CG2 ILE A 18 -4.700 4.271 -26.157 1.00 52.10 C ATOM 252 CD1 ILE A 18 -6.033 6.871 -25.381 1.00 2.02 C ATOM 0 H ILE A 18 -6.292 2.348 -27.443 1.00 62.53 H new ATOM 0 HA ILE A 18 -6.963 4.721 -28.740 1.00 71.24 H new ATOM 0 HB ILE A 18 -6.820 4.366 -26.263 1.00 73.51 H new ATOM 0 HG12 ILE A 18 -5.203 6.707 -27.340 1.00 14.32 H new ATOM 0 HG13 ILE A 18 -6.953 6.627 -27.291 1.00 14.32 H new ATOM 0 HG21 ILE A 18 -4.655 4.642 -25.133 1.00 52.10 H new ATOM 0 HG22 ILE A 18 -4.696 3.181 -26.148 1.00 52.10 H new ATOM 0 HG23 ILE A 18 -3.835 4.633 -26.713 1.00 52.10 H new ATOM 0 HD11 ILE A 18 -6.084 7.959 -25.431 1.00 2.02 H new ATOM 0 HD12 ILE A 18 -6.891 6.493 -24.826 1.00 2.02 H new ATOM 0 HD13 ILE A 18 -5.114 6.574 -24.875 1.00 2.02 H new ATOM 264 N LYS A 19 -3.800 3.920 -29.088 1.00 33.31 N ATOM 265 CA LYS A 19 -2.583 4.303 -29.794 1.00 55.21 C ATOM 266 C LYS A 19 -2.700 4.036 -31.297 1.00 34.12 C ATOM 267 O LYS A 19 -2.035 4.684 -32.106 1.00 35.11 O ATOM 268 CB LYS A 19 -1.374 3.559 -29.216 1.00 2.32 C ATOM 269 CG LYS A 19 -1.428 2.050 -29.398 1.00 50.34 C ATOM 270 CD LYS A 19 -0.224 1.367 -28.768 1.00 23.11 C ATOM 271 CE LYS A 19 1.086 1.884 -29.345 1.00 63.14 C ATOM 272 NZ LYS A 19 2.264 1.225 -28.719 1.00 14.24 N ATOM 0 H LYS A 19 -3.756 3.018 -28.614 1.00 33.31 H new ATOM 0 HA LYS A 19 -2.441 5.375 -29.654 1.00 55.21 H new ATOM 0 HB2 LYS A 19 -0.468 3.939 -29.688 1.00 2.32 H new ATOM 0 HB3 LYS A 19 -1.298 3.783 -28.152 1.00 2.32 H new ATOM 0 HG2 LYS A 19 -2.343 1.661 -28.951 1.00 50.34 H new ATOM 0 HG3 LYS A 19 -1.467 1.812 -30.461 1.00 50.34 H new ATOM 0 HD2 LYS A 19 -0.236 1.531 -27.690 1.00 23.11 H new ATOM 0 HD3 LYS A 19 -0.292 0.291 -28.928 1.00 23.11 H new ATOM 0 HE2 LYS A 19 1.102 1.711 -30.421 1.00 63.14 H new ATOM 0 HE3 LYS A 19 1.150 2.962 -29.194 1.00 63.14 H new ATOM 0 HZ1 LYS A 19 3.134 1.707 -29.024 1.00 14.24 H new ATOM 0 HZ2 LYS A 19 2.183 1.280 -27.684 1.00 14.24 H new ATOM 0 HZ3 LYS A 19 2.300 0.228 -29.011 1.00 14.24 H new ATOM 286 N LYS A 20 -3.537 3.072 -31.662 1.00 3.31 N ATOM 287 CA LYS A 20 -3.658 2.644 -33.055 1.00 15.34 C ATOM 288 C LYS A 20 -4.857 3.290 -33.745 1.00 72.13 C ATOM 289 O LYS A 20 -4.737 3.867 -34.827 1.00 2.44 O ATOM 290 CB LYS A 20 -3.782 1.120 -33.116 1.00 12.14 C ATOM 291 CG LYS A 20 -2.630 0.395 -32.445 1.00 15.12 C ATOM 292 CD LYS A 20 -2.865 -1.105 -32.394 1.00 44.41 C ATOM 293 CE LYS A 20 -1.697 -1.823 -31.740 1.00 4.53 C ATOM 294 NZ LYS A 20 -1.900 -3.292 -31.695 1.00 54.45 N ATOM 0 H LYS A 20 -4.144 2.570 -31.014 1.00 3.31 H new ATOM 0 HA LYS A 20 -2.760 2.965 -33.583 1.00 15.34 H new ATOM 0 HB2 LYS A 20 -4.716 0.820 -32.642 1.00 12.14 H new ATOM 0 HB3 LYS A 20 -3.839 0.809 -34.159 1.00 12.14 H new ATOM 0 HG2 LYS A 20 -1.706 0.601 -32.986 1.00 15.12 H new ATOM 0 HG3 LYS A 20 -2.499 0.778 -31.433 1.00 15.12 H new ATOM 0 HD2 LYS A 20 -3.780 -1.314 -31.839 1.00 44.41 H new ATOM 0 HD3 LYS A 20 -3.010 -1.487 -33.404 1.00 44.41 H new ATOM 0 HE2 LYS A 20 -0.782 -1.600 -32.289 1.00 4.53 H new ATOM 0 HE3 LYS A 20 -1.561 -1.445 -30.727 1.00 4.53 H new ATOM 0 HZ1 LYS A 20 -1.020 -3.773 -31.973 1.00 54.45 H new ATOM 0 HZ2 LYS A 20 -2.160 -3.577 -30.729 1.00 54.45 H new ATOM 0 HZ3 LYS A 20 -2.662 -3.557 -32.352 1.00 54.45 H new ATOM 308 N ASP A 21 -6.010 3.171 -33.109 1.00 51.22 N ATOM 309 CA ASP A 21 -7.284 3.586 -33.687 1.00 33.14 C ATOM 310 C ASP A 21 -7.753 4.907 -33.071 1.00 2.11 C ATOM 311 O ASP A 21 -8.502 5.660 -33.690 1.00 51.23 O ATOM 312 CB ASP A 21 -8.310 2.472 -33.441 1.00 13.51 C ATOM 313 CG ASP A 21 -9.672 2.735 -34.049 1.00 2.13 C ATOM 314 OD1 ASP A 21 -9.759 2.938 -35.277 1.00 43.15 O ATOM 315 OD2 ASP A 21 -10.674 2.679 -33.307 1.00 12.02 O ATOM 0 H ASP A 21 -6.093 2.781 -32.170 1.00 51.22 H new ATOM 0 HA ASP A 21 -7.170 3.751 -34.758 1.00 33.14 H new ATOM 0 HB2 ASP A 21 -7.919 1.538 -33.845 1.00 13.51 H new ATOM 0 HB3 ASP A 21 -8.426 2.331 -32.366 1.00 13.51 H new ATOM 320 N LYS A 22 -7.285 5.159 -31.844 1.00 20.53 N ATOM 321 CA LYS A 22 -7.560 6.388 -31.068 1.00 43.35 C ATOM 322 C LYS A 22 -9.036 6.809 -31.060 1.00 73.53 C ATOM 323 O LYS A 22 -9.349 7.996 -30.936 1.00 13.14 O ATOM 324 CB LYS A 22 -6.667 7.560 -31.520 1.00 20.51 C ATOM 325 CG LYS A 22 -6.944 8.084 -32.919 1.00 51.41 C ATOM 326 CD LYS A 22 -6.124 9.328 -33.215 1.00 71.03 C ATOM 327 CE LYS A 22 -6.367 9.840 -34.624 1.00 13.42 C ATOM 328 NZ LYS A 22 -5.604 11.088 -34.895 1.00 50.32 N ATOM 0 H LYS A 22 -6.688 4.501 -31.344 1.00 20.53 H new ATOM 0 HA LYS A 22 -7.311 6.130 -30.039 1.00 43.35 H new ATOM 0 HB2 LYS A 22 -6.786 8.380 -30.812 1.00 20.51 H new ATOM 0 HB3 LYS A 22 -5.625 7.243 -31.468 1.00 20.51 H new ATOM 0 HG2 LYS A 22 -6.713 7.311 -33.652 1.00 51.41 H new ATOM 0 HG3 LYS A 22 -8.005 8.312 -33.021 1.00 51.41 H new ATOM 0 HD2 LYS A 22 -6.374 10.108 -32.496 1.00 71.03 H new ATOM 0 HD3 LYS A 22 -5.065 9.105 -33.087 1.00 71.03 H new ATOM 0 HE2 LYS A 22 -6.079 9.074 -35.344 1.00 13.42 H new ATOM 0 HE3 LYS A 22 -7.432 10.026 -34.765 1.00 13.42 H new ATOM 0 HZ1 LYS A 22 -5.755 11.380 -35.882 1.00 50.32 H new ATOM 0 HZ2 LYS A 22 -5.932 11.841 -34.257 1.00 50.32 H new ATOM 0 HZ3 LYS A 22 -4.591 10.917 -34.736 1.00 50.32 H new ATOM 342 N LYS A 23 -9.946 5.848 -31.155 1.00 72.55 N ATOM 343 CA LYS A 23 -11.362 6.144 -30.963 1.00 74.24 C ATOM 344 C LYS A 23 -11.621 6.451 -29.495 1.00 14.34 C ATOM 345 O LYS A 23 -12.466 7.278 -29.159 1.00 45.12 O ATOM 346 CB LYS A 23 -12.243 4.996 -31.451 1.00 75.05 C ATOM 347 CG LYS A 23 -12.750 5.178 -32.875 1.00 54.34 C ATOM 348 CD LYS A 23 -11.650 5.633 -33.823 1.00 43.31 C ATOM 349 CE LYS A 23 -12.036 5.415 -35.276 1.00 53.54 C ATOM 350 NZ LYS A 23 -12.285 3.977 -35.557 1.00 4.12 N ATOM 0 H LYS A 23 -9.735 4.871 -31.360 1.00 72.55 H new ATOM 0 HA LYS A 23 -11.621 7.019 -31.559 1.00 74.24 H new ATOM 0 HB2 LYS A 23 -11.678 4.066 -31.392 1.00 75.05 H new ATOM 0 HB3 LYS A 23 -13.097 4.894 -30.781 1.00 75.05 H new ATOM 0 HG2 LYS A 23 -13.169 4.238 -33.233 1.00 54.34 H new ATOM 0 HG3 LYS A 23 -13.558 5.910 -32.881 1.00 54.34 H new ATOM 0 HD2 LYS A 23 -11.440 6.690 -33.657 1.00 43.31 H new ATOM 0 HD3 LYS A 23 -10.732 5.087 -33.604 1.00 43.31 H new ATOM 0 HE2 LYS A 23 -12.930 5.994 -35.508 1.00 53.54 H new ATOM 0 HE3 LYS A 23 -11.241 5.783 -35.925 1.00 53.54 H new ATOM 0 HZ1 LYS A 23 -12.966 3.889 -36.338 1.00 4.12 H new ATOM 0 HZ2 LYS A 23 -11.392 3.516 -35.823 1.00 4.12 H new ATOM 0 HZ3 LYS A 23 -12.671 3.519 -34.707 1.00 4.12 H new ATOM 364 N HIS A 24 -10.884 5.779 -28.623 1.00 71.04 N ATOM 365 CA HIS A 24 -10.802 6.187 -27.229 1.00 24.43 C ATOM 366 C HIS A 24 -9.876 7.391 -27.149 1.00 31.15 C ATOM 367 O HIS A 24 -8.778 7.349 -27.694 1.00 31.25 O ATOM 368 CB HIS A 24 -10.255 5.057 -26.342 1.00 31.30 C ATOM 369 CG HIS A 24 -11.195 3.906 -26.130 1.00 62.43 C ATOM 370 ND1 HIS A 24 -10.909 2.616 -26.533 1.00 3.40 N ATOM 371 CD2 HIS A 24 -12.398 3.843 -25.510 1.00 14.41 C ATOM 372 CE1 HIS A 24 -11.895 1.815 -26.169 1.00 72.22 C ATOM 373 NE2 HIS A 24 -12.807 2.534 -25.548 1.00 32.42 N ATOM 0 H HIS A 24 -10.336 4.951 -28.855 1.00 71.04 H new ATOM 0 HA HIS A 24 -11.800 6.433 -26.868 1.00 24.43 H new ATOM 0 HB2 HIS A 24 -9.335 4.678 -26.788 1.00 31.30 H new ATOM 0 HB3 HIS A 24 -9.990 5.474 -25.370 1.00 31.30 H new ATOM 0 HD2 HIS A 24 -12.935 4.669 -25.068 1.00 14.41 H new ATOM 0 HE1 HIS A 24 -11.945 0.751 -26.350 1.00 72.22 H new ATOM 0 HE2 HIS A 24 -13.678 2.175 -25.158 1.00 32.42 H new ATOM 382 N ARG A 25 -10.310 8.466 -26.507 1.00 71.31 N ATOM 383 CA ARG A 25 -9.469 9.656 -26.417 1.00 24.14 C ATOM 384 C ARG A 25 -8.682 9.661 -25.119 1.00 14.13 C ATOM 385 O ARG A 25 -7.461 9.801 -25.123 1.00 51.42 O ATOM 386 CB ARG A 25 -10.285 10.942 -26.508 1.00 51.01 C ATOM 387 CG ARG A 25 -9.405 12.180 -26.598 1.00 63.53 C ATOM 388 CD ARG A 25 -10.191 13.449 -26.346 1.00 71.40 C ATOM 389 NE ARG A 25 -9.409 14.648 -26.638 1.00 32.31 N ATOM 390 CZ ARG A 25 -9.830 15.892 -26.397 1.00 52.34 C ATOM 391 NH1 ARG A 25 -10.998 16.100 -25.804 1.00 3.04 N ATOM 392 NH2 ARG A 25 -9.074 16.927 -26.739 1.00 65.41 N ATOM 0 H ARG A 25 -11.218 8.542 -26.049 1.00 71.31 H new ATOM 0 HA ARG A 25 -8.785 9.620 -27.265 1.00 24.14 H new ATOM 0 HB2 ARG A 25 -10.934 10.896 -27.382 1.00 51.01 H new ATOM 0 HB3 ARG A 25 -10.932 11.022 -25.634 1.00 51.01 H new ATOM 0 HG2 ARG A 25 -8.595 12.104 -25.872 1.00 63.53 H new ATOM 0 HG3 ARG A 25 -8.945 12.228 -27.585 1.00 63.53 H new ATOM 0 HD2 ARG A 25 -11.091 13.445 -26.961 1.00 71.40 H new ATOM 0 HD3 ARG A 25 -10.516 13.473 -25.306 1.00 71.40 H new ATOM 0 HE ARG A 25 -8.484 14.527 -27.051 1.00 32.31 H new ATOM 0 HH11 ARG A 25 -11.579 15.308 -25.530 1.00 3.04 H new ATOM 0 HH12 ARG A 25 -11.315 17.052 -25.622 1.00 3.04 H new ATOM 0 HH21 ARG A 25 -8.170 16.773 -27.186 1.00 65.41 H new ATOM 0 HH22 ARG A 25 -9.396 17.877 -26.555 1.00 65.41 H new ATOM 406 N TYR A 26 -9.382 9.537 -24.004 1.00 44.44 N ATOM 407 CA TYR A 26 -8.717 9.509 -22.719 1.00 41.33 C ATOM 408 C TYR A 26 -9.391 8.537 -21.767 1.00 53.34 C ATOM 409 O TYR A 26 -10.607 8.334 -21.814 1.00 50.14 O ATOM 410 CB TYR A 26 -8.615 10.911 -22.109 1.00 75.40 C ATOM 411 CG TYR A 26 -9.929 11.633 -21.910 1.00 54.00 C ATOM 412 CD1 TYR A 26 -10.544 12.304 -22.959 1.00 51.41 C ATOM 413 CD2 TYR A 26 -10.533 11.676 -20.662 1.00 24.14 C ATOM 414 CE1 TYR A 26 -11.723 12.998 -22.770 1.00 44.13 C ATOM 415 CE2 TYR A 26 -11.715 12.361 -20.466 1.00 60.54 C ATOM 416 CZ TYR A 26 -12.305 13.022 -21.520 1.00 74.25 C ATOM 417 OH TYR A 26 -13.477 13.713 -21.323 1.00 30.34 O ATOM 0 H TYR A 26 -10.398 9.455 -23.965 1.00 44.44 H new ATOM 0 HA TYR A 26 -7.701 9.152 -22.886 1.00 41.33 H new ATOM 0 HB2 TYR A 26 -8.114 10.833 -21.144 1.00 75.40 H new ATOM 0 HB3 TYR A 26 -7.979 11.521 -22.750 1.00 75.40 H new ATOM 0 HD1 TYR A 26 -10.092 12.283 -23.940 1.00 51.41 H new ATOM 0 HD2 TYR A 26 -10.071 11.165 -19.830 1.00 24.14 H new ATOM 0 HE1 TYR A 26 -12.186 13.518 -23.595 1.00 44.13 H new ATOM 0 HE2 TYR A 26 -12.176 12.379 -19.489 1.00 60.54 H new ATOM 0 HH TYR A 26 -13.753 13.628 -20.387 1.00 30.34 H new ATOM 427 N VAL A 27 -8.581 7.940 -20.911 1.00 73.11 N ATOM 428 CA VAL A 27 -9.036 6.898 -20.010 1.00 52.32 C ATOM 429 C VAL A 27 -8.673 7.223 -18.563 1.00 52.14 C ATOM 430 O VAL A 27 -7.560 7.665 -18.271 1.00 60.15 O ATOM 431 CB VAL A 27 -8.440 5.528 -20.416 1.00 52.52 C ATOM 432 CG1 VAL A 27 -6.941 5.634 -20.648 1.00 51.51 C ATOM 433 CG2 VAL A 27 -8.740 4.466 -19.370 1.00 60.31 C ATOM 0 H VAL A 27 -7.590 8.164 -20.821 1.00 73.11 H new ATOM 0 HA VAL A 27 -10.122 6.844 -20.085 1.00 52.32 H new ATOM 0 HB VAL A 27 -8.913 5.228 -21.351 1.00 52.52 H new ATOM 0 HG11 VAL A 27 -6.547 4.658 -20.932 1.00 51.51 H new ATOM 0 HG12 VAL A 27 -6.746 6.350 -21.446 1.00 51.51 H new ATOM 0 HG13 VAL A 27 -6.454 5.970 -19.732 1.00 51.51 H new ATOM 0 HG21 VAL A 27 -8.309 3.515 -19.683 1.00 60.31 H new ATOM 0 HG22 VAL A 27 -8.307 4.764 -18.415 1.00 60.31 H new ATOM 0 HG23 VAL A 27 -9.819 4.357 -19.261 1.00 60.31 H new ATOM 443 N ILE A 28 -9.632 7.015 -17.670 1.00 64.14 N ATOM 444 CA ILE A 28 -9.441 7.259 -16.252 1.00 72.44 C ATOM 445 C ILE A 28 -9.034 5.967 -15.547 1.00 4.42 C ATOM 446 O ILE A 28 -9.781 4.982 -15.550 1.00 21.05 O ATOM 447 CB ILE A 28 -10.722 7.825 -15.578 1.00 43.22 C ATOM 448 CG1 ILE A 28 -11.078 9.216 -16.123 1.00 43.51 C ATOM 449 CG2 ILE A 28 -10.553 7.886 -14.066 1.00 71.15 C ATOM 450 CD1 ILE A 28 -11.715 9.212 -17.499 1.00 40.14 C ATOM 0 H ILE A 28 -10.562 6.673 -17.911 1.00 64.14 H new ATOM 0 HA ILE A 28 -8.651 8.004 -16.158 1.00 72.44 H new ATOM 0 HB ILE A 28 -11.542 7.147 -15.816 1.00 43.22 H new ATOM 0 HG12 ILE A 28 -11.758 9.702 -15.424 1.00 43.51 H new ATOM 0 HG13 ILE A 28 -10.172 9.820 -16.159 1.00 43.51 H new ATOM 0 HG21 ILE A 28 -11.461 8.285 -13.614 1.00 71.15 H new ATOM 0 HG22 ILE A 28 -10.366 6.884 -13.680 1.00 71.15 H new ATOM 0 HG23 ILE A 28 -9.711 8.533 -13.820 1.00 71.15 H new ATOM 0 HD11 ILE A 28 -11.932 10.236 -17.803 1.00 40.14 H new ATOM 0 HD12 ILE A 28 -11.030 8.758 -18.216 1.00 40.14 H new ATOM 0 HD13 ILE A 28 -12.641 8.638 -17.469 1.00 40.14 H new ATOM 462 N PHE A 29 -7.848 5.980 -14.961 1.00 3.22 N ATOM 463 CA PHE A 29 -7.341 4.844 -14.211 1.00 30.31 C ATOM 464 C PHE A 29 -7.619 5.039 -12.730 1.00 51.32 C ATOM 465 O PHE A 29 -7.696 6.169 -12.255 1.00 73.52 O ATOM 466 CB PHE A 29 -5.828 4.693 -14.400 1.00 51.21 C ATOM 467 CG PHE A 29 -5.370 4.619 -15.828 1.00 53.34 C ATOM 468 CD1 PHE A 29 -5.363 3.414 -16.505 1.00 3.42 C ATOM 469 CD2 PHE A 29 -4.925 5.755 -16.484 1.00 74.05 C ATOM 470 CE1 PHE A 29 -4.923 3.341 -17.813 1.00 22.45 C ATOM 471 CE2 PHE A 29 -4.487 5.689 -17.791 1.00 71.04 C ATOM 472 CZ PHE A 29 -4.485 4.479 -18.457 1.00 32.43 C ATOM 0 H PHE A 29 -7.211 6.776 -14.992 1.00 3.22 H new ATOM 0 HA PHE A 29 -7.843 3.950 -14.580 1.00 30.31 H new ATOM 0 HB2 PHE A 29 -5.331 5.535 -13.918 1.00 51.21 H new ATOM 0 HB3 PHE A 29 -5.501 3.791 -13.882 1.00 51.21 H new ATOM 0 HD1 PHE A 29 -5.705 2.519 -16.006 1.00 3.42 H new ATOM 0 HD2 PHE A 29 -4.921 6.703 -15.967 1.00 74.05 H new ATOM 0 HE1 PHE A 29 -4.922 2.393 -18.331 1.00 22.45 H new ATOM 0 HE2 PHE A 29 -4.146 6.583 -18.293 1.00 71.04 H new ATOM 0 HZ PHE A 29 -4.141 4.424 -19.479 1.00 32.43 H new ATOM 482 N TYR A 30 -7.753 3.945 -12.007 1.00 21.12 N ATOM 483 CA TYR A 30 -7.888 3.997 -10.560 1.00 21.21 C ATOM 484 C TYR A 30 -6.898 3.027 -9.934 1.00 52.30 C ATOM 485 O TYR A 30 -6.434 2.095 -10.596 1.00 13.41 O ATOM 486 CB TYR A 30 -9.319 3.653 -10.143 1.00 3.02 C ATOM 487 CG TYR A 30 -9.633 3.950 -8.690 1.00 75.54 C ATOM 488 CD1 TYR A 30 -9.652 5.256 -8.219 1.00 1.02 C ATOM 489 CD2 TYR A 30 -9.922 2.927 -7.796 1.00 3.03 C ATOM 490 CE1 TYR A 30 -9.950 5.537 -6.898 1.00 43.51 C ATOM 491 CE2 TYR A 30 -10.220 3.199 -6.473 1.00 44.43 C ATOM 492 CZ TYR A 30 -10.233 4.505 -6.028 1.00 32.21 C ATOM 493 OH TYR A 30 -10.532 4.778 -4.710 1.00 52.54 O ATOM 0 H TYR A 30 -7.772 3.003 -12.398 1.00 21.12 H new ATOM 0 HA TYR A 30 -7.673 5.007 -10.211 1.00 21.21 H new ATOM 0 HB2 TYR A 30 -10.013 4.209 -10.774 1.00 3.02 H new ATOM 0 HB3 TYR A 30 -9.496 2.594 -10.332 1.00 3.02 H new ATOM 0 HD1 TYR A 30 -9.430 6.067 -8.897 1.00 1.02 H new ATOM 0 HD2 TYR A 30 -9.914 1.903 -8.139 1.00 3.03 H new ATOM 0 HE1 TYR A 30 -9.961 6.559 -6.550 1.00 43.51 H new ATOM 0 HE2 TYR A 30 -10.442 2.392 -5.791 1.00 44.43 H new ATOM 0 HH TYR A 30 -11.056 5.605 -4.658 1.00 52.54 H new ATOM 503 N ILE A 31 -6.550 3.251 -8.679 1.00 33.11 N ATOM 504 CA ILE A 31 -5.611 2.380 -8.002 1.00 22.24 C ATOM 505 C ILE A 31 -6.341 1.168 -7.413 1.00 75.04 C ATOM 506 O ILE A 31 -7.023 1.244 -6.390 1.00 41.04 O ATOM 507 CB ILE A 31 -4.794 3.150 -6.933 1.00 15.23 C ATOM 508 CG1 ILE A 31 -3.695 2.268 -6.332 1.00 72.33 C ATOM 509 CG2 ILE A 31 -5.688 3.727 -5.843 1.00 2.33 C ATOM 510 CD1 ILE A 31 -2.643 1.846 -7.333 1.00 43.15 C ATOM 0 H ILE A 31 -6.902 4.023 -8.113 1.00 33.11 H new ATOM 0 HA ILE A 31 -4.891 2.010 -8.732 1.00 22.24 H new ATOM 0 HB ILE A 31 -4.315 3.988 -7.439 1.00 15.23 H new ATOM 0 HG12 ILE A 31 -3.213 2.807 -5.517 1.00 72.33 H new ATOM 0 HG13 ILE A 31 -4.151 1.378 -5.900 1.00 72.33 H new ATOM 0 HG21 ILE A 31 -5.076 4.259 -5.114 1.00 2.33 H new ATOM 0 HG22 ILE A 31 -6.405 4.417 -6.288 1.00 2.33 H new ATOM 0 HG23 ILE A 31 -6.224 2.918 -5.346 1.00 2.33 H new ATOM 0 HD11 ILE A 31 -1.898 1.224 -6.837 1.00 43.15 H new ATOM 0 HD12 ILE A 31 -3.112 1.279 -8.137 1.00 43.15 H new ATOM 0 HD13 ILE A 31 -2.160 2.731 -7.748 1.00 43.15 H new ATOM 522 N ARG A 32 -6.210 0.055 -8.107 1.00 2.51 N ATOM 523 CA ARG A 32 -6.902 -1.175 -7.766 1.00 32.13 C ATOM 524 C ARG A 32 -6.128 -1.952 -6.711 1.00 53.54 C ATOM 525 O ARG A 32 -4.914 -2.113 -6.825 1.00 43.14 O ATOM 526 CB ARG A 32 -7.059 -2.029 -9.024 1.00 74.43 C ATOM 527 CG ARG A 32 -7.637 -3.402 -8.767 1.00 44.04 C ATOM 528 CD ARG A 32 -7.390 -4.326 -9.942 1.00 60.14 C ATOM 529 NE ARG A 32 -7.526 -5.727 -9.554 1.00 30.33 N ATOM 530 CZ ARG A 32 -7.142 -6.753 -10.310 1.00 35.53 C ATOM 531 NH1 ARG A 32 -6.730 -6.555 -11.557 1.00 62.34 N ATOM 532 NH2 ARG A 32 -7.179 -7.980 -9.814 1.00 30.22 N ATOM 0 H ARG A 32 -5.615 -0.023 -8.932 1.00 2.51 H new ATOM 0 HA ARG A 32 -7.883 -0.928 -7.361 1.00 32.13 H new ATOM 0 HB2 ARG A 32 -7.701 -1.502 -9.730 1.00 74.43 H new ATOM 0 HB3 ARG A 32 -6.085 -2.140 -9.500 1.00 74.43 H new ATOM 0 HG2 ARG A 32 -7.191 -3.825 -7.867 1.00 44.04 H new ATOM 0 HG3 ARG A 32 -8.708 -3.321 -8.583 1.00 44.04 H new ATOM 0 HD2 ARG A 32 -8.095 -4.098 -10.741 1.00 60.14 H new ATOM 0 HD3 ARG A 32 -6.390 -4.152 -10.340 1.00 60.14 H new ATOM 0 HE ARG A 32 -7.942 -5.933 -8.646 1.00 30.33 H new ATOM 0 HH11 ARG A 32 -6.706 -5.611 -11.942 1.00 62.34 H new ATOM 0 HH12 ARG A 32 -6.437 -7.347 -12.129 1.00 62.34 H new ATOM 0 HH21 ARG A 32 -7.500 -8.134 -8.858 1.00 30.22 H new ATOM 0 HH22 ARG A 32 -6.886 -8.771 -10.388 1.00 30.22 H new ATOM 546 N ASP A 33 -6.829 -2.402 -5.672 1.00 24.15 N ATOM 547 CA ASP A 33 -6.233 -3.224 -4.607 1.00 2.14 C ATOM 548 C ASP A 33 -5.169 -2.461 -3.821 1.00 3.03 C ATOM 549 O ASP A 33 -4.584 -2.998 -2.883 1.00 33.25 O ATOM 550 CB ASP A 33 -5.619 -4.508 -5.178 1.00 1.20 C ATOM 551 CG ASP A 33 -6.648 -5.565 -5.522 1.00 11.41 C ATOM 552 OD1 ASP A 33 -7.321 -5.436 -6.563 1.00 21.45 O ATOM 553 OD2 ASP A 33 -6.773 -6.542 -4.757 1.00 71.40 O ATOM 0 H ASP A 33 -7.822 -2.211 -5.540 1.00 24.15 H new ATOM 0 HA ASP A 33 -7.044 -3.483 -3.926 1.00 2.14 H new ATOM 0 HB2 ASP A 33 -5.048 -4.262 -6.073 1.00 1.20 H new ATOM 0 HB3 ASP A 33 -4.915 -4.919 -4.454 1.00 1.20 H new ATOM 558 N GLU A 34 -4.917 -1.220 -4.233 1.00 2.23 N ATOM 559 CA GLU A 34 -3.932 -0.345 -3.601 1.00 71.23 C ATOM 560 C GLU A 34 -2.506 -0.782 -3.938 1.00 43.15 C ATOM 561 O GLU A 34 -1.546 -0.392 -3.267 1.00 4.01 O ATOM 562 CB GLU A 34 -4.141 -0.269 -2.082 1.00 3.51 C ATOM 563 CG GLU A 34 -5.472 0.352 -1.687 1.00 35.31 C ATOM 564 CD GLU A 34 -5.580 0.609 -0.198 1.00 22.23 C ATOM 565 OE1 GLU A 34 -6.011 -0.302 0.538 1.00 51.25 O ATOM 566 OE2 GLU A 34 -5.243 1.729 0.244 1.00 52.33 O ATOM 0 H GLU A 34 -5.396 -0.789 -5.024 1.00 2.23 H new ATOM 0 HA GLU A 34 -4.079 0.657 -4.005 1.00 71.23 H new ATOM 0 HB2 GLU A 34 -4.078 -1.273 -1.663 1.00 3.51 H new ATOM 0 HB3 GLU A 34 -3.332 0.312 -1.640 1.00 3.51 H new ATOM 0 HG2 GLU A 34 -5.603 1.292 -2.224 1.00 35.31 H new ATOM 0 HG3 GLU A 34 -6.282 -0.308 -1.997 1.00 35.31 H new ATOM 573 N LYS A 35 -2.368 -1.586 -4.989 1.00 62.01 N ATOM 574 CA LYS A 35 -1.050 -1.951 -5.506 1.00 72.40 C ATOM 575 C LYS A 35 -1.139 -2.348 -6.982 1.00 52.22 C ATOM 576 O LYS A 35 -0.172 -2.834 -7.565 1.00 23.12 O ATOM 577 CB LYS A 35 -0.421 -3.098 -4.690 1.00 0.02 C ATOM 578 CG LYS A 35 -1.013 -4.479 -4.963 1.00 34.02 C ATOM 579 CD LYS A 35 -2.296 -4.735 -4.192 1.00 15.43 C ATOM 580 CE LYS A 35 -2.031 -4.982 -2.715 1.00 0.01 C ATOM 581 NZ LYS A 35 -3.283 -5.310 -1.983 1.00 2.22 N ATOM 0 H LYS A 35 -3.150 -1.997 -5.499 1.00 62.01 H new ATOM 0 HA LYS A 35 -0.409 -1.075 -5.412 1.00 72.40 H new ATOM 0 HB2 LYS A 35 0.648 -3.129 -4.898 1.00 0.02 H new ATOM 0 HB3 LYS A 35 -0.533 -2.874 -3.629 1.00 0.02 H new ATOM 0 HG2 LYS A 35 -1.210 -4.580 -6.030 1.00 34.02 H new ATOM 0 HG3 LYS A 35 -0.279 -5.241 -4.701 1.00 34.02 H new ATOM 0 HD2 LYS A 35 -2.963 -3.880 -4.303 1.00 15.43 H new ATOM 0 HD3 LYS A 35 -2.809 -5.597 -4.618 1.00 15.43 H new ATOM 0 HE2 LYS A 35 -1.319 -5.800 -2.604 1.00 0.01 H new ATOM 0 HE3 LYS A 35 -1.572 -4.097 -2.274 1.00 0.01 H new ATOM 0 HZ1 LYS A 35 -3.087 -5.356 -0.963 1.00 2.22 H new ATOM 0 HZ2 LYS A 35 -3.995 -4.574 -2.166 1.00 2.22 H new ATOM 0 HZ3 LYS A 35 -3.644 -6.230 -2.307 1.00 2.22 H new ATOM 595 N GLN A 36 -2.305 -2.138 -7.582 1.00 72.02 N ATOM 596 CA GLN A 36 -2.552 -2.566 -8.954 1.00 21.03 C ATOM 597 C GLN A 36 -3.247 -1.461 -9.749 1.00 52.25 C ATOM 598 O GLN A 36 -3.845 -0.555 -9.177 1.00 12.44 O ATOM 599 CB GLN A 36 -3.386 -3.853 -8.963 1.00 3.31 C ATOM 600 CG GLN A 36 -2.763 -4.963 -8.130 1.00 12.00 C ATOM 601 CD GLN A 36 -3.563 -6.250 -8.128 1.00 63.23 C ATOM 602 OE1 GLN A 36 -4.874 -6.135 -8.177 1.00 2.34 O flip ATOM 603 NE2 GLN A 36 -3.002 -7.340 -8.047 1.00 15.41 N flip ATOM 0 H GLN A 36 -3.097 -1.672 -7.138 1.00 72.02 H new ATOM 0 HA GLN A 36 -1.595 -2.771 -9.433 1.00 21.03 H new ATOM 0 HB2 GLN A 36 -4.385 -3.636 -8.583 1.00 3.31 H new ATOM 0 HB3 GLN A 36 -3.503 -4.198 -9.990 1.00 3.31 H new ATOM 0 HG2 GLN A 36 -1.762 -5.169 -8.508 1.00 12.00 H new ATOM 0 HG3 GLN A 36 -2.651 -4.615 -7.103 1.00 12.00 H new ATOM 0 HE21 GLN A 36 -1.984 -7.388 -8.011 1.00 15.41 H new ATOM 0 HE22 GLN A 36 -3.554 -8.197 -8.015 1.00 15.41 H new ATOM 612 N ILE A 37 -3.143 -1.531 -11.067 1.00 54.33 N ATOM 613 CA ILE A 37 -3.743 -0.535 -11.949 1.00 3.34 C ATOM 614 C ILE A 37 -5.138 -0.978 -12.372 1.00 31.13 C ATOM 615 O ILE A 37 -5.354 -2.158 -12.630 1.00 31.11 O ATOM 616 CB ILE A 37 -2.897 -0.340 -13.223 1.00 52.23 C ATOM 617 CG1 ILE A 37 -1.404 -0.359 -12.882 1.00 12.12 C ATOM 618 CG2 ILE A 37 -3.273 0.964 -13.914 1.00 22.34 C ATOM 619 CD1 ILE A 37 -0.497 -0.136 -14.069 1.00 32.12 C ATOM 0 H ILE A 37 -2.644 -2.274 -11.556 1.00 54.33 H new ATOM 0 HA ILE A 37 -3.792 0.403 -11.396 1.00 3.34 H new ATOM 0 HB ILE A 37 -3.103 -1.164 -13.907 1.00 52.23 H new ATOM 0 HG12 ILE A 37 -1.203 0.409 -12.136 1.00 12.12 H new ATOM 0 HG13 ILE A 37 -1.159 -1.318 -12.426 1.00 12.12 H new ATOM 0 HG21 ILE A 37 -2.667 1.088 -14.812 1.00 22.34 H new ATOM 0 HG22 ILE A 37 -4.328 0.939 -14.188 1.00 22.34 H new ATOM 0 HG23 ILE A 37 -3.093 1.799 -13.237 1.00 22.34 H new ATOM 0 HD11 ILE A 37 0.543 -0.164 -13.743 1.00 32.12 H new ATOM 0 HD12 ILE A 37 -0.667 -0.919 -14.809 1.00 32.12 H new ATOM 0 HD13 ILE A 37 -0.712 0.836 -14.513 1.00 32.12 H new ATOM 631 N ASP A 38 -6.076 -0.044 -12.448 1.00 21.20 N ATOM 632 CA ASP A 38 -7.431 -0.363 -12.884 1.00 20.43 C ATOM 633 C ASP A 38 -7.974 0.719 -13.812 1.00 5.25 C ATOM 634 O ASP A 38 -7.510 1.857 -13.780 1.00 42.11 O ATOM 635 CB ASP A 38 -8.351 -0.524 -11.672 1.00 43.52 C ATOM 636 CG ASP A 38 -9.728 -1.026 -12.056 1.00 24.31 C ATOM 637 OD1 ASP A 38 -9.814 -1.862 -12.982 1.00 74.41 O ATOM 638 OD2 ASP A 38 -10.721 -0.593 -11.438 1.00 42.53 O ATOM 0 H ASP A 38 -5.926 0.938 -12.215 1.00 21.20 H new ATOM 0 HA ASP A 38 -7.399 -1.303 -13.435 1.00 20.43 H new ATOM 0 HB2 ASP A 38 -7.898 -1.219 -10.965 1.00 43.52 H new ATOM 0 HB3 ASP A 38 -8.446 0.434 -11.161 1.00 43.52 H new ATOM 643 N VAL A 39 -8.940 0.354 -14.646 1.00 52.10 N ATOM 644 CA VAL A 39 -9.586 1.298 -15.553 1.00 4.31 C ATOM 645 C VAL A 39 -11.086 1.298 -15.315 1.00 60.41 C ATOM 646 O VAL A 39 -11.724 0.244 -15.320 1.00 14.10 O ATOM 647 CB VAL A 39 -9.300 0.971 -17.038 1.00 51.44 C ATOM 648 CG1 VAL A 39 -10.268 1.702 -17.959 1.00 40.35 C ATOM 649 CG2 VAL A 39 -7.872 1.338 -17.395 1.00 35.23 C ATOM 0 H VAL A 39 -9.297 -0.599 -14.714 1.00 52.10 H new ATOM 0 HA VAL A 39 -9.172 2.284 -15.344 1.00 4.31 H new ATOM 0 HB VAL A 39 -9.439 -0.101 -17.176 1.00 51.44 H new ATOM 0 HG11 VAL A 39 -10.042 1.453 -18.996 1.00 40.35 H new ATOM 0 HG12 VAL A 39 -11.289 1.400 -17.727 1.00 40.35 H new ATOM 0 HG13 VAL A 39 -10.166 2.778 -17.814 1.00 40.35 H new ATOM 0 HG21 VAL A 39 -7.687 1.102 -18.443 1.00 35.23 H new ATOM 0 HG22 VAL A 39 -7.719 2.405 -17.231 1.00 35.23 H new ATOM 0 HG23 VAL A 39 -7.183 0.772 -16.768 1.00 35.23 H new ATOM 659 N GLU A 40 -11.646 2.476 -15.113 1.00 31.13 N ATOM 660 CA GLU A 40 -13.054 2.589 -14.784 1.00 3.32 C ATOM 661 C GLU A 40 -13.822 3.325 -15.870 1.00 13.00 C ATOM 662 O GLU A 40 -14.846 2.845 -16.354 1.00 70.41 O ATOM 663 CB GLU A 40 -13.216 3.322 -13.461 1.00 0.01 C ATOM 664 CG GLU A 40 -12.334 2.775 -12.360 1.00 13.24 C ATOM 665 CD GLU A 40 -12.526 3.530 -11.059 1.00 41.04 C ATOM 666 OE1 GLU A 40 -12.242 4.751 -11.027 1.00 14.11 O ATOM 667 OE2 GLU A 40 -12.966 2.911 -10.069 1.00 23.42 O ATOM 0 H GLU A 40 -11.149 3.365 -15.171 1.00 31.13 H new ATOM 0 HA GLU A 40 -13.461 1.581 -14.703 1.00 3.32 H new ATOM 0 HB2 GLU A 40 -12.988 4.378 -13.609 1.00 0.01 H new ATOM 0 HB3 GLU A 40 -14.258 3.262 -13.146 1.00 0.01 H new ATOM 0 HG2 GLU A 40 -12.558 1.720 -12.205 1.00 13.24 H new ATOM 0 HG3 GLU A 40 -11.290 2.837 -12.666 1.00 13.24 H new ATOM 674 N THR A 41 -13.317 4.483 -16.261 1.00 25.22 N ATOM 675 CA THR A 41 -14.041 5.351 -17.174 1.00 73.53 C ATOM 676 C THR A 41 -13.195 5.706 -18.392 1.00 11.42 C ATOM 677 O THR A 41 -12.019 6.037 -18.267 1.00 1.21 O ATOM 678 CB THR A 41 -14.489 6.637 -16.445 1.00 64.45 C ATOM 679 OG1 THR A 41 -15.329 6.284 -15.339 1.00 13.14 O ATOM 680 CG2 THR A 41 -15.244 7.582 -17.372 1.00 32.44 C ATOM 0 H THR A 41 -12.411 4.843 -15.961 1.00 25.22 H new ATOM 0 HA THR A 41 -14.922 4.811 -17.522 1.00 73.53 H new ATOM 0 HB THR A 41 -13.595 7.155 -16.097 1.00 64.45 H new ATOM 0 HG1 THR A 41 -15.614 7.097 -14.872 1.00 13.14 H new ATOM 0 HG21 THR A 41 -15.541 8.473 -16.820 1.00 32.44 H new ATOM 0 HG22 THR A 41 -14.600 7.868 -18.203 1.00 32.44 H new ATOM 0 HG23 THR A 41 -16.132 7.081 -17.757 1.00 32.44 H new ATOM 688 N VAL A 42 -13.796 5.610 -19.567 1.00 1.34 N ATOM 689 CA VAL A 42 -13.137 5.991 -20.805 1.00 11.24 C ATOM 690 C VAL A 42 -14.006 6.997 -21.557 1.00 33.42 C ATOM 691 O VAL A 42 -15.199 6.768 -21.765 1.00 13.13 O ATOM 692 CB VAL A 42 -12.829 4.761 -21.700 1.00 14.31 C ATOM 693 CG1 VAL A 42 -11.792 3.867 -21.041 1.00 11.12 C ATOM 694 CG2 VAL A 42 -14.091 3.964 -22.002 1.00 53.05 C ATOM 0 H VAL A 42 -14.749 5.268 -19.689 1.00 1.34 H new ATOM 0 HA VAL A 42 -12.181 6.450 -20.553 1.00 11.24 H new ATOM 0 HB VAL A 42 -12.429 5.132 -22.643 1.00 14.31 H new ATOM 0 HG11 VAL A 42 -11.589 3.010 -21.683 1.00 11.12 H new ATOM 0 HG12 VAL A 42 -10.872 4.430 -20.886 1.00 11.12 H new ATOM 0 HG13 VAL A 42 -12.170 3.518 -20.080 1.00 11.12 H new ATOM 0 HG21 VAL A 42 -13.840 3.110 -22.631 1.00 53.05 H new ATOM 0 HG22 VAL A 42 -14.531 3.611 -21.069 1.00 53.05 H new ATOM 0 HG23 VAL A 42 -14.807 4.600 -22.523 1.00 53.05 H new ATOM 704 N ALA A 43 -13.425 8.121 -21.949 1.00 33.24 N ATOM 705 CA ALA A 43 -14.203 9.186 -22.564 1.00 1.52 C ATOM 706 C ALA A 43 -13.624 9.614 -23.907 1.00 44.52 C ATOM 707 O ALA A 43 -12.448 9.385 -24.202 1.00 20.40 O ATOM 708 CB ALA A 43 -14.318 10.372 -21.622 1.00 43.24 C ATOM 0 H ALA A 43 -12.429 8.318 -21.854 1.00 33.24 H new ATOM 0 HA ALA A 43 -15.202 8.793 -22.756 1.00 1.52 H new ATOM 0 HB1 ALA A 43 -14.903 11.159 -22.098 1.00 43.24 H new ATOM 0 HB2 ALA A 43 -14.811 10.059 -20.702 1.00 43.24 H new ATOM 0 HB3 ALA A 43 -13.322 10.750 -21.390 1.00 43.24 H new ATOM 714 N ASP A 44 -14.468 10.252 -24.705 1.00 13.13 N ATOM 715 CA ASP A 44 -14.144 10.602 -26.085 1.00 32.22 C ATOM 716 C ASP A 44 -13.852 12.105 -26.213 1.00 45.04 C ATOM 717 O ASP A 44 -13.988 12.848 -25.239 1.00 2.42 O ATOM 718 CB ASP A 44 -15.324 10.180 -26.978 1.00 55.23 C ATOM 719 CG ASP A 44 -15.188 10.608 -28.422 1.00 52.15 C ATOM 720 OD1 ASP A 44 -14.491 9.918 -29.191 1.00 73.41 O ATOM 721 OD2 ASP A 44 -15.763 11.655 -28.785 1.00 1.23 O ATOM 0 H ASP A 44 -15.401 10.544 -24.415 1.00 13.13 H new ATOM 0 HA ASP A 44 -13.243 10.078 -26.403 1.00 32.22 H new ATOM 0 HB2 ASP A 44 -15.425 9.095 -26.940 1.00 55.23 H new ATOM 0 HB3 ASP A 44 -16.243 10.601 -26.570 1.00 55.23 H new ATOM 726 N ARG A 45 -13.448 12.544 -27.411 1.00 35.44 N ATOM 727 CA ARG A 45 -13.074 13.940 -27.650 1.00 45.22 C ATOM 728 C ARG A 45 -14.268 14.880 -27.539 1.00 63.41 C ATOM 729 O ARG A 45 -14.091 16.087 -27.380 1.00 32.33 O ATOM 730 CB ARG A 45 -12.408 14.126 -29.026 1.00 75.40 C ATOM 731 CG ARG A 45 -13.321 13.861 -30.220 1.00 14.50 C ATOM 732 CD ARG A 45 -13.270 12.408 -30.658 1.00 41.45 C ATOM 733 NE ARG A 45 -11.933 12.019 -31.103 1.00 64.54 N ATOM 734 CZ ARG A 45 -11.397 10.816 -30.898 1.00 32.14 C ATOM 735 NH1 ARG A 45 -12.073 9.882 -30.239 1.00 20.21 N ATOM 736 NH2 ARG A 45 -10.186 10.542 -31.363 1.00 43.14 N ATOM 0 H ARG A 45 -13.372 11.947 -28.234 1.00 35.44 H new ATOM 0 HA ARG A 45 -12.355 14.195 -26.871 1.00 45.22 H new ATOM 0 HB2 ARG A 45 -12.029 15.146 -29.096 1.00 75.40 H new ATOM 0 HB3 ARG A 45 -11.547 13.461 -29.090 1.00 75.40 H new ATOM 0 HG2 ARG A 45 -14.346 14.126 -29.960 1.00 14.50 H new ATOM 0 HG3 ARG A 45 -13.027 14.502 -31.051 1.00 14.50 H new ATOM 0 HD2 ARG A 45 -13.578 11.769 -29.831 1.00 41.45 H new ATOM 0 HD3 ARG A 45 -13.983 12.248 -31.467 1.00 41.45 H new ATOM 0 HE ARG A 45 -11.375 12.712 -31.602 1.00 64.54 H new ATOM 0 HH11 ARG A 45 -13.009 10.083 -29.886 1.00 20.21 H new ATOM 0 HH12 ARG A 45 -11.657 8.964 -30.086 1.00 20.21 H new ATOM 0 HH21 ARG A 45 -9.665 11.252 -31.878 1.00 43.14 H new ATOM 0 HH22 ARG A 45 -9.776 9.621 -31.206 1.00 43.14 H new ATOM 750 N ASN A 46 -15.475 14.331 -27.635 1.00 24.24 N ATOM 751 CA ASN A 46 -16.690 15.131 -27.515 1.00 42.20 C ATOM 752 C ASN A 46 -16.731 15.860 -26.173 1.00 62.50 C ATOM 753 O ASN A 46 -17.228 16.982 -26.081 1.00 41.32 O ATOM 754 CB ASN A 46 -17.931 14.247 -27.670 1.00 31.11 C ATOM 755 CG ASN A 46 -19.218 15.051 -27.684 1.00 2.04 C ATOM 756 OD1 ASN A 46 -19.650 15.530 -28.732 1.00 51.43 O ATOM 757 ND2 ASN A 46 -19.850 15.191 -26.528 1.00 43.03 N ATOM 0 H ASN A 46 -15.638 13.337 -27.795 1.00 24.24 H new ATOM 0 HA ASN A 46 -16.685 15.874 -28.312 1.00 42.20 H new ATOM 0 HB2 ASN A 46 -17.853 13.676 -28.595 1.00 31.11 H new ATOM 0 HB3 ASN A 46 -17.965 13.527 -26.852 1.00 31.11 H new ATOM 0 HD21 ASN A 46 -20.727 15.711 -26.486 1.00 43.03 H new ATOM 0 HD22 ASN A 46 -19.460 14.779 -25.680 1.00 43.03 H new ATOM 764 N ALA A 47 -16.187 15.226 -25.142 1.00 2.52 N ATOM 765 CA ALA A 47 -16.164 15.812 -23.811 1.00 11.10 C ATOM 766 C ALA A 47 -14.949 16.718 -23.644 1.00 12.01 C ATOM 767 O ALA A 47 -13.896 16.478 -24.240 1.00 73.41 O ATOM 768 CB ALA A 47 -16.168 14.717 -22.754 1.00 10.41 C ATOM 0 H ALA A 47 -15.755 14.304 -25.204 1.00 2.52 H new ATOM 0 HA ALA A 47 -17.060 16.420 -23.683 1.00 11.10 H new ATOM 0 HB1 ALA A 47 -16.151 15.169 -21.762 1.00 10.41 H new ATOM 0 HB2 ALA A 47 -17.068 14.111 -22.861 1.00 10.41 H new ATOM 0 HB3 ALA A 47 -15.288 14.086 -22.881 1.00 10.41 H new ATOM 774 N GLU A 48 -15.102 17.761 -22.840 1.00 40.10 N ATOM 775 CA GLU A 48 -14.032 18.725 -22.626 1.00 62.22 C ATOM 776 C GLU A 48 -13.259 18.415 -21.346 1.00 50.42 C ATOM 777 O GLU A 48 -13.695 17.605 -20.525 1.00 75.22 O ATOM 778 CB GLU A 48 -14.591 20.151 -22.602 1.00 24.43 C ATOM 779 CG GLU A 48 -15.777 20.338 -21.669 1.00 52.52 C ATOM 780 CD GLU A 48 -16.455 21.678 -21.860 1.00 71.23 C ATOM 781 OE1 GLU A 48 -16.933 21.951 -22.984 1.00 43.11 O ATOM 782 OE2 GLU A 48 -16.523 22.463 -20.891 1.00 64.54 O ATOM 0 H GLU A 48 -15.959 17.961 -22.324 1.00 40.10 H new ATOM 0 HA GLU A 48 -13.333 18.647 -23.459 1.00 62.22 H new ATOM 0 HB2 GLU A 48 -13.797 20.836 -22.304 1.00 24.43 H new ATOM 0 HB3 GLU A 48 -14.890 20.429 -23.613 1.00 24.43 H new ATOM 0 HG2 GLU A 48 -16.500 19.540 -21.840 1.00 52.52 H new ATOM 0 HG3 GLU A 48 -15.441 20.248 -20.636 1.00 52.52 H new ATOM 789 N TYR A 49 -12.118 19.080 -21.180 1.00 42.11 N ATOM 790 CA TYR A 49 -11.200 18.798 -20.078 1.00 73.43 C ATOM 791 C TYR A 49 -11.863 19.031 -18.726 1.00 24.45 C ATOM 792 O TYR A 49 -11.652 18.273 -17.782 1.00 35.14 O ATOM 793 CB TYR A 49 -9.946 19.672 -20.196 1.00 32.54 C ATOM 794 CG TYR A 49 -9.194 19.487 -21.496 1.00 50.41 C ATOM 795 CD1 TYR A 49 -8.273 18.460 -21.645 1.00 44.14 C ATOM 796 CD2 TYR A 49 -9.408 20.339 -22.573 1.00 13.34 C ATOM 797 CE1 TYR A 49 -7.585 18.286 -22.831 1.00 51.44 C ATOM 798 CE2 TYR A 49 -8.726 20.171 -23.762 1.00 54.04 C ATOM 799 CZ TYR A 49 -7.815 19.143 -23.886 1.00 11.11 C ATOM 800 OH TYR A 49 -7.132 18.972 -25.068 1.00 31.01 O ATOM 0 H TYR A 49 -11.805 19.826 -21.802 1.00 42.11 H new ATOM 0 HA TYR A 49 -10.919 17.747 -20.143 1.00 73.43 H new ATOM 0 HB2 TYR A 49 -10.233 20.719 -20.099 1.00 32.54 H new ATOM 0 HB3 TYR A 49 -9.278 19.447 -19.365 1.00 32.54 H new ATOM 0 HD1 TYR A 49 -8.091 17.786 -20.821 1.00 44.14 H new ATOM 0 HD2 TYR A 49 -10.120 21.146 -22.478 1.00 13.34 H new ATOM 0 HE1 TYR A 49 -6.870 17.482 -22.931 1.00 51.44 H new ATOM 0 HE2 TYR A 49 -8.905 20.841 -24.590 1.00 54.04 H new ATOM 0 HH TYR A 49 -6.552 18.185 -25.000 1.00 31.01 H new ATOM 810 N ASP A 50 -12.667 20.079 -18.643 1.00 63.53 N ATOM 811 CA ASP A 50 -13.343 20.434 -17.401 1.00 21.00 C ATOM 812 C ASP A 50 -14.308 19.339 -16.965 1.00 54.11 C ATOM 813 O ASP A 50 -14.471 19.082 -15.772 1.00 75.45 O ATOM 814 CB ASP A 50 -14.092 21.752 -17.570 1.00 51.32 C ATOM 815 CG ASP A 50 -13.166 22.897 -17.919 1.00 55.44 C ATOM 816 OD1 ASP A 50 -12.681 22.944 -19.071 1.00 22.35 O ATOM 817 OD2 ASP A 50 -12.925 23.760 -17.050 1.00 14.13 O ATOM 0 H ASP A 50 -12.869 20.703 -19.424 1.00 63.53 H new ATOM 0 HA ASP A 50 -12.585 20.547 -16.625 1.00 21.00 H new ATOM 0 HB2 ASP A 50 -14.843 21.643 -18.353 1.00 51.32 H new ATOM 0 HB3 ASP A 50 -14.624 21.986 -16.648 1.00 51.32 H new ATOM 822 N GLN A 51 -14.935 18.686 -17.938 1.00 20.11 N ATOM 823 CA GLN A 51 -15.865 17.597 -17.657 1.00 75.54 C ATOM 824 C GLN A 51 -15.118 16.380 -17.125 1.00 51.22 C ATOM 825 O GLN A 51 -15.618 15.667 -16.260 1.00 43.11 O ATOM 826 CB GLN A 51 -16.661 17.232 -18.911 1.00 64.11 C ATOM 827 CG GLN A 51 -17.659 18.302 -19.323 1.00 40.50 C ATOM 828 CD GLN A 51 -18.307 18.014 -20.661 1.00 35.53 C ATOM 829 OE1 GLN A 51 -17.695 17.411 -21.540 1.00 71.01 O ATOM 830 NE2 GLN A 51 -19.547 18.443 -20.824 1.00 33.52 N ATOM 0 H GLN A 51 -14.816 18.892 -18.930 1.00 20.11 H new ATOM 0 HA GLN A 51 -16.565 17.933 -16.892 1.00 75.54 H new ATOM 0 HB2 GLN A 51 -15.968 17.055 -19.734 1.00 64.11 H new ATOM 0 HB3 GLN A 51 -17.193 16.297 -18.736 1.00 64.11 H new ATOM 0 HG2 GLN A 51 -18.433 18.384 -18.560 1.00 40.50 H new ATOM 0 HG3 GLN A 51 -17.153 19.266 -19.369 1.00 40.50 H new ATOM 0 HE21 GLN A 51 -20.018 18.940 -20.068 1.00 33.52 H new ATOM 0 HE22 GLN A 51 -20.032 18.277 -21.706 1.00 33.52 H new ATOM 839 N PHE A 52 -13.912 16.164 -17.644 1.00 53.34 N ATOM 840 CA PHE A 52 -13.038 15.098 -17.159 1.00 25.12 C ATOM 841 C PHE A 52 -12.779 15.261 -15.664 1.00 71.40 C ATOM 842 O PHE A 52 -12.914 14.311 -14.891 1.00 51.52 O ATOM 843 CB PHE A 52 -11.716 15.111 -17.938 1.00 74.24 C ATOM 844 CG PHE A 52 -10.609 14.308 -17.303 1.00 13.42 C ATOM 845 CD1 PHE A 52 -10.641 12.923 -17.308 1.00 22.43 C ATOM 846 CD2 PHE A 52 -9.530 14.946 -16.708 1.00 4.14 C ATOM 847 CE1 PHE A 52 -9.619 12.191 -16.732 1.00 44.03 C ATOM 848 CE2 PHE A 52 -8.508 14.218 -16.130 1.00 25.21 C ATOM 849 CZ PHE A 52 -8.552 12.840 -16.142 1.00 43.10 C ATOM 0 H PHE A 52 -13.516 16.716 -18.405 1.00 53.34 H new ATOM 0 HA PHE A 52 -13.530 14.138 -17.318 1.00 25.12 H new ATOM 0 HB2 PHE A 52 -11.897 14.727 -18.942 1.00 74.24 H new ATOM 0 HB3 PHE A 52 -11.383 16.143 -18.047 1.00 74.24 H new ATOM 0 HD1 PHE A 52 -11.473 12.410 -17.767 1.00 22.43 H new ATOM 0 HD2 PHE A 52 -9.489 16.025 -16.697 1.00 4.14 H new ATOM 0 HE1 PHE A 52 -9.655 11.112 -16.743 1.00 44.03 H new ATOM 0 HE2 PHE A 52 -7.675 14.728 -15.669 1.00 25.21 H new ATOM 0 HZ PHE A 52 -7.754 12.269 -15.691 1.00 43.10 H new ATOM 859 N LEU A 53 -12.418 16.474 -15.261 1.00 31.21 N ATOM 860 CA LEU A 53 -12.200 16.766 -13.852 1.00 24.11 C ATOM 861 C LEU A 53 -13.506 16.663 -13.077 1.00 42.51 C ATOM 862 O LEU A 53 -13.555 16.036 -12.021 1.00 34.41 O ATOM 863 CB LEU A 53 -11.589 18.158 -13.659 1.00 52.12 C ATOM 864 CG LEU A 53 -10.073 18.258 -13.867 1.00 24.14 C ATOM 865 CD1 LEU A 53 -9.353 17.175 -13.079 1.00 64.34 C ATOM 866 CD2 LEU A 53 -9.706 18.183 -15.340 1.00 3.00 C ATOM 0 H LEU A 53 -12.271 17.266 -15.887 1.00 31.21 H new ATOM 0 HA LEU A 53 -11.497 16.027 -13.468 1.00 24.11 H new ATOM 0 HB2 LEU A 53 -12.077 18.847 -14.348 1.00 52.12 H new ATOM 0 HB3 LEU A 53 -11.821 18.499 -12.650 1.00 52.12 H new ATOM 0 HG LEU A 53 -9.751 19.231 -13.496 1.00 24.14 H new ATOM 0 HD11 LEU A 53 -8.278 17.262 -13.239 1.00 64.34 H new ATOM 0 HD12 LEU A 53 -9.572 17.291 -12.018 1.00 64.34 H new ATOM 0 HD13 LEU A 53 -9.692 16.195 -13.415 1.00 64.34 H new ATOM 0 HD21 LEU A 53 -8.624 18.257 -15.450 1.00 3.00 H new ATOM 0 HD22 LEU A 53 -10.048 17.234 -15.752 1.00 3.00 H new ATOM 0 HD23 LEU A 53 -10.182 19.004 -15.876 1.00 3.00 H new ATOM 878 N GLU A 54 -14.559 17.267 -13.623 1.00 51.42 N ATOM 879 CA GLU A 54 -15.881 17.250 -13.002 1.00 75.40 C ATOM 880 C GLU A 54 -16.295 15.827 -12.635 1.00 13.25 C ATOM 881 O GLU A 54 -16.722 15.568 -11.511 1.00 45.41 O ATOM 882 CB GLU A 54 -16.910 17.858 -13.962 1.00 42.22 C ATOM 883 CG GLU A 54 -18.343 17.849 -13.443 1.00 1.25 C ATOM 884 CD GLU A 54 -18.560 18.794 -12.280 1.00 72.12 C ATOM 885 OE1 GLU A 54 -18.599 20.020 -12.506 1.00 41.14 O ATOM 886 OE2 GLU A 54 -18.713 18.318 -11.138 1.00 33.24 O ATOM 0 H GLU A 54 -14.520 17.780 -14.504 1.00 51.42 H new ATOM 0 HA GLU A 54 -15.839 17.841 -12.087 1.00 75.40 H new ATOM 0 HB2 GLU A 54 -16.622 18.887 -14.179 1.00 42.22 H new ATOM 0 HB3 GLU A 54 -16.875 17.312 -14.905 1.00 42.22 H new ATOM 0 HG2 GLU A 54 -19.019 18.120 -14.254 1.00 1.25 H new ATOM 0 HG3 GLU A 54 -18.605 16.837 -13.135 1.00 1.25 H new ATOM 893 N ASP A 55 -16.127 14.909 -13.578 1.00 35.01 N ATOM 894 CA ASP A 55 -16.587 13.537 -13.405 1.00 34.31 C ATOM 895 C ASP A 55 -15.879 12.834 -12.249 1.00 54.31 C ATOM 896 O ASP A 55 -16.512 12.118 -11.471 1.00 53.22 O ATOM 897 CB ASP A 55 -16.382 12.735 -14.688 1.00 15.01 C ATOM 898 CG ASP A 55 -17.113 11.410 -14.641 1.00 43.32 C ATOM 899 OD1 ASP A 55 -18.361 11.414 -14.723 1.00 2.24 O ATOM 900 OD2 ASP A 55 -16.457 10.361 -14.502 1.00 64.14 O ATOM 0 H ASP A 55 -15.674 15.091 -14.474 1.00 35.01 H new ATOM 0 HA ASP A 55 -17.650 13.588 -13.170 1.00 34.31 H new ATOM 0 HB2 ASP A 55 -16.735 13.315 -15.541 1.00 15.01 H new ATOM 0 HB3 ASP A 55 -15.317 12.558 -14.841 1.00 15.01 H new ATOM 905 N ILE A 56 -14.576 13.046 -12.126 1.00 43.05 N ATOM 906 CA ILE A 56 -13.796 12.340 -11.119 1.00 52.40 C ATOM 907 C ILE A 56 -13.887 13.002 -9.741 1.00 13.23 C ATOM 908 O ILE A 56 -14.007 12.311 -8.726 1.00 44.22 O ATOM 909 CB ILE A 56 -12.315 12.186 -11.538 1.00 22.31 C ATOM 910 CG1 ILE A 56 -11.693 13.542 -11.882 1.00 23.05 C ATOM 911 CG2 ILE A 56 -12.204 11.233 -12.720 1.00 52.42 C ATOM 912 CD1 ILE A 56 -10.223 13.463 -12.237 1.00 40.12 C ATOM 0 H ILE A 56 -14.041 13.694 -12.704 1.00 43.05 H new ATOM 0 HA ILE A 56 -14.237 11.346 -11.043 1.00 52.40 H new ATOM 0 HB ILE A 56 -11.763 11.771 -10.695 1.00 22.31 H new ATOM 0 HG12 ILE A 56 -12.237 13.980 -12.719 1.00 23.05 H new ATOM 0 HG13 ILE A 56 -11.818 14.215 -11.034 1.00 23.05 H new ATOM 0 HG21 ILE A 56 -11.158 11.131 -13.008 1.00 52.42 H new ATOM 0 HG22 ILE A 56 -12.600 10.257 -12.439 1.00 52.42 H new ATOM 0 HG23 ILE A 56 -12.775 11.628 -13.561 1.00 52.42 H new ATOM 0 HD11 ILE A 56 -9.851 14.461 -12.469 1.00 40.12 H new ATOM 0 HD12 ILE A 56 -9.666 13.055 -11.393 1.00 40.12 H new ATOM 0 HD13 ILE A 56 -10.092 12.816 -13.105 1.00 40.12 H new ATOM 924 N GLN A 57 -13.872 14.333 -9.696 1.00 41.44 N ATOM 925 CA GLN A 57 -13.874 15.033 -8.412 1.00 12.31 C ATOM 926 C GLN A 57 -15.270 15.062 -7.796 1.00 35.32 C ATOM 927 O GLN A 57 -15.425 15.376 -6.617 1.00 63.24 O ATOM 928 CB GLN A 57 -13.294 16.455 -8.542 1.00 12.11 C ATOM 929 CG GLN A 57 -14.052 17.383 -9.482 1.00 44.23 C ATOM 930 CD GLN A 57 -15.267 18.034 -8.851 1.00 43.23 C ATOM 931 OE1 GLN A 57 -16.278 18.289 -9.659 1.00 73.44 O flip ATOM 932 NE2 GLN A 57 -15.300 18.302 -7.650 1.00 1.44 N flip ATOM 0 H GLN A 57 -13.859 14.939 -10.516 1.00 41.44 H new ATOM 0 HA GLN A 57 -13.226 14.474 -7.737 1.00 12.31 H new ATOM 0 HB2 GLN A 57 -13.267 16.910 -7.552 1.00 12.11 H new ATOM 0 HB3 GLN A 57 -12.263 16.379 -8.886 1.00 12.11 H new ATOM 0 HG2 GLN A 57 -13.375 18.162 -9.832 1.00 44.23 H new ATOM 0 HG3 GLN A 57 -14.368 16.818 -10.359 1.00 44.23 H new ATOM 0 HE21 GLN A 57 -14.497 18.089 -7.058 1.00 1.44 H new ATOM 0 HE22 GLN A 57 -16.130 18.737 -7.247 1.00 1.44 H new ATOM 941 N LYS A 58 -16.287 14.726 -8.588 1.00 13.01 N ATOM 942 CA LYS A 58 -17.651 14.675 -8.073 1.00 62.05 C ATOM 943 C LYS A 58 -17.816 13.456 -7.169 1.00 32.41 C ATOM 944 O LYS A 58 -18.595 13.473 -6.214 1.00 32.11 O ATOM 945 CB LYS A 58 -18.683 14.655 -9.218 1.00 4.45 C ATOM 946 CG LYS A 58 -18.830 13.317 -9.930 1.00 63.05 C ATOM 947 CD LYS A 58 -19.807 13.414 -11.094 1.00 22.44 C ATOM 948 CE LYS A 58 -20.258 12.040 -11.576 1.00 63.44 C ATOM 949 NZ LYS A 58 -19.150 11.231 -12.153 1.00 32.35 N ATOM 0 H LYS A 58 -16.193 14.488 -9.575 1.00 13.01 H new ATOM 0 HA LYS A 58 -17.834 15.577 -7.488 1.00 62.05 H new ATOM 0 HB2 LYS A 58 -19.654 14.944 -8.816 1.00 4.45 H new ATOM 0 HB3 LYS A 58 -18.404 15.411 -9.952 1.00 4.45 H new ATOM 0 HG2 LYS A 58 -17.857 12.988 -10.295 1.00 63.05 H new ATOM 0 HG3 LYS A 58 -19.177 12.563 -9.223 1.00 63.05 H new ATOM 0 HD2 LYS A 58 -20.677 13.995 -10.789 1.00 22.44 H new ATOM 0 HD3 LYS A 58 -19.337 13.951 -11.918 1.00 22.44 H new ATOM 0 HE2 LYS A 58 -20.701 11.496 -10.742 1.00 63.44 H new ATOM 0 HE3 LYS A 58 -21.039 12.163 -12.326 1.00 63.44 H new ATOM 0 HZ1 LYS A 58 -19.250 10.241 -11.852 1.00 32.35 H new ATOM 0 HZ2 LYS A 58 -19.187 11.282 -13.191 1.00 32.35 H new ATOM 0 HZ3 LYS A 58 -18.238 11.604 -11.820 1.00 32.35 H new ATOM 963 N CYS A 59 -17.047 12.412 -7.458 1.00 4.21 N ATOM 964 CA CYS A 59 -17.096 11.192 -6.669 1.00 74.10 C ATOM 965 C CYS A 59 -16.141 11.282 -5.485 1.00 35.04 C ATOM 966 O CYS A 59 -16.487 10.899 -4.368 1.00 62.22 O ATOM 967 CB CYS A 59 -16.748 9.979 -7.537 1.00 31.11 C ATOM 968 SG CYS A 59 -16.864 8.396 -6.673 1.00 32.21 S ATOM 0 H CYS A 59 -16.384 12.388 -8.233 1.00 4.21 H new ATOM 0 HA CYS A 59 -18.110 11.070 -6.289 1.00 74.10 H new ATOM 0 HB2 CYS A 59 -17.414 9.960 -8.399 1.00 31.11 H new ATOM 0 HB3 CYS A 59 -15.734 10.098 -7.920 1.00 31.11 H new ATOM 0 HG CYS A 59 -16.554 7.433 -7.489 1.00 32.21 H new ATOM 974 N GLY A 60 -14.949 11.816 -5.726 1.00 30.41 N ATOM 975 CA GLY A 60 -13.968 11.926 -4.668 1.00 53.31 C ATOM 976 C GLY A 60 -12.757 12.735 -5.080 1.00 50.44 C ATOM 977 O GLY A 60 -11.946 12.276 -5.884 1.00 63.53 O ATOM 0 H GLY A 60 -14.647 12.173 -6.633 1.00 30.41 H new ATOM 0 HA2 GLY A 60 -14.430 12.389 -3.796 1.00 53.31 H new ATOM 0 HA3 GLY A 60 -13.649 10.928 -4.368 1.00 53.31 H new ATOM 981 N PRO A 61 -12.616 13.959 -4.548 1.00 55.23 N ATOM 982 CA PRO A 61 -11.463 14.813 -4.827 1.00 13.24 C ATOM 983 C PRO A 61 -10.246 14.427 -3.990 1.00 11.32 C ATOM 984 O PRO A 61 -9.124 14.840 -4.275 1.00 74.52 O ATOM 985 CB PRO A 61 -11.966 16.201 -4.440 1.00 55.30 C ATOM 986 CG PRO A 61 -12.947 15.948 -3.348 1.00 41.24 C ATOM 987 CD PRO A 61 -13.582 14.614 -3.645 1.00 71.01 C ATOM 0 HA PRO A 61 -11.128 14.738 -5.862 1.00 13.24 H new ATOM 0 HB2 PRO A 61 -11.150 16.839 -4.101 1.00 55.30 H new ATOM 0 HB3 PRO A 61 -12.434 16.704 -5.286 1.00 55.30 H new ATOM 0 HG2 PRO A 61 -12.452 15.935 -2.377 1.00 41.24 H new ATOM 0 HG3 PRO A 61 -13.699 16.736 -3.312 1.00 41.24 H new ATOM 0 HD2 PRO A 61 -13.737 14.033 -2.736 1.00 71.01 H new ATOM 0 HD3 PRO A 61 -14.557 14.731 -4.119 1.00 71.01 H new ATOM 995 N GLY A 62 -10.481 13.626 -2.960 1.00 53.33 N ATOM 996 CA GLY A 62 -9.407 13.184 -2.096 1.00 41.02 C ATOM 997 C GLY A 62 -9.013 11.753 -2.382 1.00 35.43 C ATOM 998 O GLY A 62 -8.688 10.994 -1.471 1.00 21.43 O ATOM 0 H GLY A 62 -11.404 13.273 -2.707 1.00 53.33 H new ATOM 0 HA2 GLY A 62 -8.542 13.833 -2.229 1.00 41.02 H new ATOM 0 HA3 GLY A 62 -9.716 13.275 -1.055 1.00 41.02 H new ATOM 1002 N GLU A 63 -9.064 11.385 -3.652 1.00 33.44 N ATOM 1003 CA GLU A 63 -8.733 10.037 -4.079 1.00 50.51 C ATOM 1004 C GLU A 63 -7.754 10.098 -5.236 1.00 64.31 C ATOM 1005 O GLU A 63 -7.795 11.031 -6.039 1.00 13.55 O ATOM 1006 CB GLU A 63 -9.994 9.282 -4.508 1.00 62.44 C ATOM 1007 CG GLU A 63 -10.981 9.043 -3.377 1.00 14.31 C ATOM 1008 CD GLU A 63 -12.193 8.255 -3.826 1.00 22.15 C ATOM 1009 OE1 GLU A 63 -12.028 7.084 -4.234 1.00 5.14 O ATOM 1010 OE2 GLU A 63 -13.317 8.795 -3.769 1.00 24.24 O ATOM 0 H GLU A 63 -9.335 12.009 -4.412 1.00 33.44 H new ATOM 0 HA GLU A 63 -8.279 9.506 -3.242 1.00 50.51 H new ATOM 0 HB2 GLU A 63 -10.491 9.844 -5.299 1.00 62.44 H new ATOM 0 HB3 GLU A 63 -9.704 8.321 -4.934 1.00 62.44 H new ATOM 0 HG2 GLU A 63 -10.482 8.508 -2.570 1.00 14.31 H new ATOM 0 HG3 GLU A 63 -11.304 10.002 -2.972 1.00 14.31 H new ATOM 1017 N CYS A 64 -6.876 9.115 -5.320 1.00 54.15 N ATOM 1018 CA CYS A 64 -5.884 9.084 -6.378 1.00 35.21 C ATOM 1019 C CYS A 64 -6.404 8.318 -7.588 1.00 65.12 C ATOM 1020 O CYS A 64 -6.912 7.202 -7.464 1.00 63.12 O ATOM 1021 CB CYS A 64 -4.589 8.459 -5.853 1.00 14.23 C ATOM 1022 SG CYS A 64 -4.837 7.039 -4.757 1.00 53.23 S ATOM 0 H CYS A 64 -6.830 8.330 -4.670 1.00 54.15 H new ATOM 0 HA CYS A 64 -5.678 10.106 -6.697 1.00 35.21 H new ATOM 0 HB2 CYS A 64 -3.980 8.146 -6.701 1.00 14.23 H new ATOM 0 HB3 CYS A 64 -4.022 9.221 -5.318 1.00 14.23 H new ATOM 0 HG CYS A 64 -4.035 7.132 -3.738 1.00 53.23 H new ATOM 1028 N ARG A 65 -6.278 8.929 -8.758 1.00 43.20 N ATOM 1029 CA ARG A 65 -6.679 8.298 -10.004 1.00 51.45 C ATOM 1030 C ARG A 65 -5.968 8.966 -11.172 1.00 55.45 C ATOM 1031 O ARG A 65 -5.595 10.133 -11.093 1.00 64.40 O ATOM 1032 CB ARG A 65 -8.203 8.335 -10.161 1.00 22.03 C ATOM 1033 CG ARG A 65 -8.807 9.727 -10.237 1.00 61.13 C ATOM 1034 CD ARG A 65 -10.197 9.751 -9.613 1.00 35.41 C ATOM 1035 NE ARG A 65 -10.956 8.525 -9.888 1.00 21.30 N ATOM 1036 CZ ARG A 65 -11.853 8.003 -9.048 1.00 74.20 C ATOM 1037 NH1 ARG A 65 -12.140 8.623 -7.906 1.00 74.31 N ATOM 1038 NH2 ARG A 65 -12.459 6.855 -9.339 1.00 45.40 N ATOM 0 H ARG A 65 -5.898 9.869 -8.868 1.00 43.20 H new ATOM 0 HA ARG A 65 -6.385 7.248 -9.989 1.00 51.45 H new ATOM 0 HB2 ARG A 65 -8.474 7.788 -11.064 1.00 22.03 H new ATOM 0 HB3 ARG A 65 -8.653 7.806 -9.321 1.00 22.03 H new ATOM 0 HG2 ARG A 65 -8.160 10.437 -9.722 1.00 61.13 H new ATOM 0 HG3 ARG A 65 -8.865 10.046 -11.278 1.00 61.13 H new ATOM 0 HD2 ARG A 65 -10.106 9.884 -8.535 1.00 35.41 H new ATOM 0 HD3 ARG A 65 -10.749 10.610 -9.995 1.00 35.41 H new ATOM 0 HE ARG A 65 -10.788 8.044 -10.772 1.00 21.30 H new ATOM 0 HH11 ARG A 65 -11.674 9.499 -7.670 1.00 74.31 H new ATOM 0 HH12 ARG A 65 -12.826 8.222 -7.266 1.00 74.31 H new ATOM 0 HH21 ARG A 65 -12.239 6.368 -10.208 1.00 45.40 H new ATOM 0 HH22 ARG A 65 -13.143 6.461 -8.693 1.00 45.40 H new ATOM 1052 N TYR A 66 -5.770 8.227 -12.247 1.00 51.31 N ATOM 1053 CA TYR A 66 -4.869 8.661 -13.305 1.00 63.51 C ATOM 1054 C TYR A 66 -5.618 8.849 -14.614 1.00 1.31 C ATOM 1055 O TYR A 66 -6.749 8.395 -14.754 1.00 62.15 O ATOM 1056 CB TYR A 66 -3.751 7.627 -13.470 1.00 13.01 C ATOM 1057 CG TYR A 66 -3.269 7.079 -12.146 1.00 23.31 C ATOM 1058 CD1 TYR A 66 -2.503 7.857 -11.291 1.00 11.35 C ATOM 1059 CD2 TYR A 66 -3.614 5.797 -11.734 1.00 54.05 C ATOM 1060 CE1 TYR A 66 -2.088 7.374 -10.067 1.00 10.34 C ATOM 1061 CE2 TYR A 66 -3.208 5.310 -10.507 1.00 54.31 C ATOM 1062 CZ TYR A 66 -2.444 6.102 -9.679 1.00 44.55 C ATOM 1063 OH TYR A 66 -2.046 5.630 -8.454 1.00 12.23 O ATOM 0 H TYR A 66 -6.218 7.326 -12.413 1.00 51.31 H new ATOM 0 HA TYR A 66 -4.437 9.623 -13.031 1.00 63.51 H new ATOM 0 HB2 TYR A 66 -4.109 6.806 -14.091 1.00 13.01 H new ATOM 0 HB3 TYR A 66 -2.913 8.083 -13.997 1.00 13.01 H new ATOM 0 HD1 TYR A 66 -2.227 8.858 -11.588 1.00 11.35 H new ATOM 0 HD2 TYR A 66 -4.209 5.172 -12.384 1.00 54.05 H new ATOM 0 HE1 TYR A 66 -1.486 7.991 -9.416 1.00 10.34 H new ATOM 0 HE2 TYR A 66 -3.488 4.314 -10.199 1.00 54.31 H new ATOM 0 HH TYR A 66 -1.484 4.837 -8.576 1.00 12.23 H new ATOM 1073 N GLY A 67 -4.990 9.520 -15.565 1.00 22.10 N ATOM 1074 CA GLY A 67 -5.620 9.735 -16.848 1.00 52.12 C ATOM 1075 C GLY A 67 -4.625 9.756 -17.989 1.00 30.23 C ATOM 1076 O GLY A 67 -3.658 10.520 -17.965 1.00 74.42 O ATOM 0 H GLY A 67 -4.056 9.919 -15.471 1.00 22.10 H new ATOM 0 HA2 GLY A 67 -6.353 8.948 -17.025 1.00 52.12 H new ATOM 0 HA3 GLY A 67 -6.164 10.679 -16.828 1.00 52.12 H new ATOM 1080 N LEU A 68 -4.859 8.913 -18.984 1.00 63.03 N ATOM 1081 CA LEU A 68 -4.038 8.896 -20.189 1.00 41.21 C ATOM 1082 C LEU A 68 -4.779 9.659 -21.278 1.00 64.32 C ATOM 1083 O LEU A 68 -5.943 9.371 -21.557 1.00 40.20 O ATOM 1084 CB LEU A 68 -3.735 7.439 -20.608 1.00 12.11 C ATOM 1085 CG LEU A 68 -2.783 7.240 -21.796 1.00 50.34 C ATOM 1086 CD1 LEU A 68 -2.311 5.800 -21.840 1.00 2.14 C ATOM 1087 CD2 LEU A 68 -3.459 7.576 -23.110 1.00 12.44 C ATOM 0 H LEU A 68 -5.615 8.228 -18.982 1.00 63.03 H new ATOM 0 HA LEU A 68 -3.078 9.379 -20.009 1.00 41.21 H new ATOM 0 HB2 LEU A 68 -3.316 6.919 -19.747 1.00 12.11 H new ATOM 0 HB3 LEU A 68 -4.680 6.951 -20.846 1.00 12.11 H new ATOM 0 HG LEU A 68 -1.936 7.912 -21.659 1.00 50.34 H new ATOM 0 HD11 LEU A 68 -1.636 5.664 -22.685 1.00 2.14 H new ATOM 0 HD12 LEU A 68 -1.787 5.560 -20.915 1.00 2.14 H new ATOM 0 HD13 LEU A 68 -3.170 5.139 -21.952 1.00 2.14 H new ATOM 0 HD21 LEU A 68 -2.757 7.424 -23.930 1.00 12.44 H new ATOM 0 HD22 LEU A 68 -4.325 6.929 -23.250 1.00 12.44 H new ATOM 0 HD23 LEU A 68 -3.782 8.617 -23.097 1.00 12.44 H new ATOM 1099 N PHE A 69 -4.110 10.639 -21.868 1.00 50.33 N ATOM 1100 CA PHE A 69 -4.747 11.561 -22.796 1.00 74.42 C ATOM 1101 C PHE A 69 -4.030 11.582 -24.136 1.00 44.11 C ATOM 1102 O PHE A 69 -2.974 12.202 -24.264 1.00 72.43 O ATOM 1103 CB PHE A 69 -4.718 12.969 -22.210 1.00 34.32 C ATOM 1104 CG PHE A 69 -6.060 13.644 -22.134 1.00 43.23 C ATOM 1105 CD1 PHE A 69 -6.702 14.066 -23.286 1.00 14.30 C ATOM 1106 CD2 PHE A 69 -6.675 13.863 -20.910 1.00 11.44 C ATOM 1107 CE1 PHE A 69 -7.931 14.694 -23.224 1.00 14.23 C ATOM 1108 CE2 PHE A 69 -7.905 14.493 -20.841 1.00 52.44 C ATOM 1109 CZ PHE A 69 -8.533 14.909 -21.999 1.00 5.11 C ATOM 0 H PHE A 69 -3.117 10.817 -21.718 1.00 50.33 H new ATOM 0 HA PHE A 69 -5.773 11.226 -22.951 1.00 74.42 H new ATOM 0 HB2 PHE A 69 -4.292 12.922 -21.208 1.00 34.32 H new ATOM 0 HB3 PHE A 69 -4.050 13.585 -22.812 1.00 34.32 H new ATOM 0 HD1 PHE A 69 -6.236 13.902 -24.246 1.00 14.30 H new ATOM 0 HD2 PHE A 69 -6.189 13.539 -20.002 1.00 11.44 H new ATOM 0 HE1 PHE A 69 -8.420 15.016 -24.131 1.00 14.23 H new ATOM 0 HE2 PHE A 69 -8.374 14.659 -19.882 1.00 52.44 H new ATOM 0 HZ PHE A 69 -9.493 15.401 -21.947 1.00 5.11 H new ATOM 1119 N ASP A 70 -4.599 10.922 -25.126 1.00 42.34 N ATOM 1120 CA ASP A 70 -4.065 10.985 -26.479 1.00 30.00 C ATOM 1121 C ASP A 70 -4.971 11.865 -27.327 1.00 23.34 C ATOM 1122 O ASP A 70 -6.053 11.448 -27.745 1.00 53.31 O ATOM 1123 CB ASP A 70 -3.937 9.587 -27.099 1.00 31.23 C ATOM 1124 CG ASP A 70 -2.918 8.714 -26.393 1.00 12.52 C ATOM 1125 OD1 ASP A 70 -2.292 9.190 -25.423 1.00 11.23 O ATOM 1126 OD2 ASP A 70 -2.738 7.549 -26.810 1.00 13.54 O ATOM 0 H ASP A 70 -5.428 10.337 -25.023 1.00 42.34 H new ATOM 0 HA ASP A 70 -3.063 11.413 -26.442 1.00 30.00 H new ATOM 0 HB2 ASP A 70 -4.909 9.094 -27.073 1.00 31.23 H new ATOM 0 HB3 ASP A 70 -3.658 9.686 -28.148 1.00 31.23 H new ATOM 1131 N PHE A 71 -4.549 13.101 -27.547 1.00 1.43 N ATOM 1132 CA PHE A 71 -5.385 14.074 -28.235 1.00 51.22 C ATOM 1133 C PHE A 71 -4.579 14.886 -29.237 1.00 50.14 C ATOM 1134 O PHE A 71 -3.363 15.023 -29.111 1.00 41.04 O ATOM 1135 CB PHE A 71 -6.050 15.014 -27.223 1.00 74.24 C ATOM 1136 CG PHE A 71 -5.077 15.839 -26.420 1.00 35.21 C ATOM 1137 CD1 PHE A 71 -4.425 15.295 -25.324 1.00 70.54 C ATOM 1138 CD2 PHE A 71 -4.815 17.157 -26.763 1.00 72.41 C ATOM 1139 CE1 PHE A 71 -3.529 16.047 -24.588 1.00 50.21 C ATOM 1140 CE2 PHE A 71 -3.920 17.912 -26.030 1.00 63.44 C ATOM 1141 CZ PHE A 71 -3.278 17.357 -24.940 1.00 44.10 C ATOM 0 H PHE A 71 -3.636 13.454 -27.260 1.00 1.43 H new ATOM 0 HA PHE A 71 -6.154 13.525 -28.779 1.00 51.22 H new ATOM 0 HB2 PHE A 71 -6.726 15.684 -27.755 1.00 74.24 H new ATOM 0 HB3 PHE A 71 -6.659 14.423 -26.540 1.00 74.24 H new ATOM 0 HD1 PHE A 71 -4.620 14.271 -25.042 1.00 70.54 H new ATOM 0 HD2 PHE A 71 -5.316 17.598 -27.612 1.00 72.41 H new ATOM 0 HE1 PHE A 71 -3.026 15.610 -23.738 1.00 50.21 H new ATOM 0 HE2 PHE A 71 -3.722 18.936 -26.309 1.00 63.44 H new ATOM 0 HZ PHE A 71 -2.581 17.948 -24.364 1.00 44.10 H new ATOM 1151 N GLU A 72 -5.266 15.425 -30.229 1.00 73.24 N ATOM 1152 CA GLU A 72 -4.628 16.257 -31.230 1.00 55.32 C ATOM 1153 C GLU A 72 -5.087 17.704 -31.071 1.00 25.04 C ATOM 1154 O GLU A 72 -6.249 18.035 -31.306 1.00 12.10 O ATOM 1155 CB GLU A 72 -4.919 15.711 -32.634 1.00 64.24 C ATOM 1156 CG GLU A 72 -6.390 15.420 -32.904 1.00 4.10 C ATOM 1157 CD GLU A 72 -6.592 14.524 -34.110 1.00 73.04 C ATOM 1158 OE1 GLU A 72 -6.703 15.046 -35.242 1.00 41.14 O ATOM 1159 OE2 GLU A 72 -6.638 13.290 -33.933 1.00 21.43 O ATOM 0 H GLU A 72 -6.270 15.300 -30.362 1.00 73.24 H new ATOM 0 HA GLU A 72 -3.547 16.236 -31.090 1.00 55.32 H new ATOM 0 HB2 GLU A 72 -4.562 16.430 -33.371 1.00 64.24 H new ATOM 0 HB3 GLU A 72 -4.347 14.795 -32.780 1.00 64.24 H new ATOM 0 HG2 GLU A 72 -6.831 14.947 -32.026 1.00 4.10 H new ATOM 0 HG3 GLU A 72 -6.920 16.359 -33.060 1.00 4.10 H new ATOM 1166 N TYR A 73 -4.170 18.552 -30.635 1.00 72.14 N ATOM 1167 CA TYR A 73 -4.487 19.943 -30.346 1.00 31.03 C ATOM 1168 C TYR A 73 -3.809 20.859 -31.353 1.00 1.22 C ATOM 1169 O TYR A 73 -2.637 20.679 -31.675 1.00 71.53 O ATOM 1170 CB TYR A 73 -4.050 20.290 -28.915 1.00 1.45 C ATOM 1171 CG TYR A 73 -4.312 21.726 -28.497 1.00 22.02 C ATOM 1172 CD1 TYR A 73 -5.583 22.284 -28.587 1.00 3.12 C ATOM 1173 CD2 TYR A 73 -3.284 22.518 -28.001 1.00 30.22 C ATOM 1174 CE1 TYR A 73 -5.818 23.592 -28.198 1.00 64.21 C ATOM 1175 CE2 TYR A 73 -3.511 23.824 -27.609 1.00 75.24 C ATOM 1176 CZ TYR A 73 -4.778 24.357 -27.710 1.00 72.23 C ATOM 1177 OH TYR A 73 -5.001 25.660 -27.319 1.00 43.24 O ATOM 0 H TYR A 73 -3.195 18.301 -30.472 1.00 72.14 H new ATOM 0 HA TYR A 73 -5.564 20.088 -30.427 1.00 31.03 H new ATOM 0 HB2 TYR A 73 -4.566 19.625 -28.222 1.00 1.45 H new ATOM 0 HB3 TYR A 73 -2.984 20.087 -28.817 1.00 1.45 H new ATOM 0 HD1 TYR A 73 -6.400 21.688 -28.966 1.00 3.12 H new ATOM 0 HD2 TYR A 73 -2.289 22.106 -27.920 1.00 30.22 H new ATOM 0 HE1 TYR A 73 -6.810 24.011 -28.276 1.00 64.21 H new ATOM 0 HE2 TYR A 73 -2.699 24.424 -27.225 1.00 75.24 H new ATOM 0 HH TYR A 73 -4.242 25.976 -26.786 1.00 43.24 H new ATOM 1187 N MET A 74 -4.564 21.823 -31.863 1.00 23.41 N ATOM 1188 CA MET A 74 -4.035 22.784 -32.822 1.00 32.42 C ATOM 1189 C MET A 74 -3.669 24.085 -32.120 1.00 0.44 C ATOM 1190 O MET A 74 -4.471 24.643 -31.370 1.00 60.20 O ATOM 1191 CB MET A 74 -5.052 23.052 -33.942 1.00 4.12 C ATOM 1192 CG MET A 74 -6.381 23.614 -33.454 1.00 22.31 C ATOM 1193 SD MET A 74 -7.563 23.890 -34.790 1.00 20.42 S ATOM 1194 CE MET A 74 -7.789 22.218 -35.394 1.00 43.51 C ATOM 0 H MET A 74 -5.547 21.960 -31.628 1.00 23.41 H new ATOM 0 HA MET A 74 -3.136 22.361 -33.269 1.00 32.42 H new ATOM 0 HB2 MET A 74 -4.615 23.750 -34.656 1.00 4.12 H new ATOM 0 HB3 MET A 74 -5.238 22.122 -34.479 1.00 4.12 H new ATOM 0 HG2 MET A 74 -6.815 22.926 -32.728 1.00 22.31 H new ATOM 0 HG3 MET A 74 -6.202 24.555 -32.934 1.00 22.31 H new ATOM 0 HE1 MET A 74 -8.721 22.157 -35.956 1.00 43.51 H new ATOM 0 HE2 MET A 74 -6.955 21.950 -36.043 1.00 43.51 H new ATOM 0 HE3 MET A 74 -7.828 21.529 -34.551 1.00 43.51 H new ATOM 1204 N HIS A 75 -2.452 24.556 -32.342 1.00 51.24 N ATOM 1205 CA HIS A 75 -2.001 25.800 -31.736 1.00 21.22 C ATOM 1206 C HIS A 75 -1.285 26.661 -32.771 1.00 73.11 C ATOM 1207 O HIS A 75 -0.545 26.145 -33.612 1.00 62.14 O ATOM 1208 CB HIS A 75 -1.072 25.499 -30.553 1.00 21.10 C ATOM 1209 CG HIS A 75 -0.987 26.603 -29.541 1.00 14.05 C ATOM 1210 ND1 HIS A 75 0.048 27.511 -29.489 1.00 4.52 N ATOM 1211 CD2 HIS A 75 -1.824 26.938 -28.531 1.00 31.04 C ATOM 1212 CE1 HIS A 75 -0.157 28.352 -28.496 1.00 54.24 C ATOM 1213 NE2 HIS A 75 -1.284 28.027 -27.895 1.00 75.44 N ATOM 0 H HIS A 75 -1.760 24.098 -32.935 1.00 51.24 H new ATOM 0 HA HIS A 75 -2.867 26.351 -31.369 1.00 21.22 H new ATOM 0 HB2 HIS A 75 -1.417 24.592 -30.056 1.00 21.10 H new ATOM 0 HB3 HIS A 75 -0.072 25.293 -30.934 1.00 21.10 H new ATOM 0 HD2 HIS A 75 -2.747 26.440 -28.273 1.00 31.04 H new ATOM 0 HE1 HIS A 75 0.491 29.171 -28.220 1.00 54.24 H new ATOM 0 HE2 HIS A 75 -1.688 28.506 -27.090 1.00 75.44 H new ATOM 1222 N GLN A 76 -1.516 27.965 -32.718 1.00 64.50 N ATOM 1223 CA GLN A 76 -0.842 28.891 -33.613 1.00 34.52 C ATOM 1224 C GLN A 76 0.575 29.133 -33.111 1.00 11.40 C ATOM 1225 O GLN A 76 0.775 29.709 -32.043 1.00 62.13 O ATOM 1226 CB GLN A 76 -1.594 30.227 -33.703 1.00 2.03 C ATOM 1227 CG GLN A 76 -2.909 30.186 -34.480 1.00 61.24 C ATOM 1228 CD GLN A 76 -3.987 29.340 -33.824 1.00 45.22 C ATOM 1229 OE1 GLN A 76 -4.135 28.105 -34.277 1.00 61.23 O flip ATOM 1230 NE2 GLN A 76 -4.711 29.811 -32.949 1.00 24.10 N flip ATOM 0 H GLN A 76 -2.165 28.404 -32.065 1.00 64.50 H new ATOM 0 HA GLN A 76 -0.816 28.451 -34.610 1.00 34.52 H new ATOM 0 HB2 GLN A 76 -1.800 30.578 -32.692 1.00 2.03 H new ATOM 0 HB3 GLN A 76 -0.939 30.963 -34.169 1.00 2.03 H new ATOM 0 HG2 GLN A 76 -3.281 31.204 -34.598 1.00 61.24 H new ATOM 0 HG3 GLN A 76 -2.716 29.799 -35.481 1.00 61.24 H new ATOM 0 HE21 GLN A 76 -4.565 30.768 -32.626 1.00 24.10 H new ATOM 0 HE22 GLN A 76 -5.458 29.245 -32.546 1.00 24.10 H new ATOM 1239 N CYS A 77 1.550 28.696 -33.887 1.00 44.32 N ATOM 1240 CA CYS A 77 2.939 28.765 -33.473 1.00 22.42 C ATOM 1241 C CYS A 77 3.545 30.125 -33.799 1.00 1.01 C ATOM 1242 O CYS A 77 3.807 30.433 -34.963 1.00 3.44 O ATOM 1243 CB CYS A 77 3.731 27.645 -34.149 1.00 14.04 C ATOM 1244 SG CYS A 77 3.415 27.493 -35.922 1.00 13.32 S ATOM 0 H CYS A 77 1.405 28.288 -34.811 1.00 44.32 H new ATOM 0 HA CYS A 77 2.987 28.636 -32.392 1.00 22.42 H new ATOM 0 HB2 CYS A 77 4.795 27.821 -33.993 1.00 14.04 H new ATOM 0 HB3 CYS A 77 3.490 26.699 -33.664 1.00 14.04 H new ATOM 0 HG CYS A 77 4.130 26.522 -36.408 1.00 13.32 H new ATOM 1250 N GLN A 78 3.729 30.943 -32.765 1.00 42.12 N ATOM 1251 CA GLN A 78 4.379 32.249 -32.897 1.00 52.34 C ATOM 1252 C GLN A 78 3.617 33.176 -33.847 1.00 13.44 C ATOM 1253 O GLN A 78 4.189 34.113 -34.402 1.00 41.11 O ATOM 1254 CB GLN A 78 5.828 32.085 -33.372 1.00 52.54 C ATOM 1255 CG GLN A 78 6.716 31.362 -32.370 1.00 4.21 C ATOM 1256 CD GLN A 78 8.175 31.349 -32.784 1.00 21.31 C ATOM 1257 OE1 GLN A 78 8.647 30.418 -33.442 1.00 52.40 O ATOM 1258 NE2 GLN A 78 8.898 32.392 -32.411 1.00 2.32 N ATOM 0 H GLN A 78 3.433 30.722 -31.814 1.00 42.12 H new ATOM 0 HA GLN A 78 4.375 32.711 -31.910 1.00 52.34 H new ATOM 0 HB2 GLN A 78 5.834 31.536 -34.313 1.00 52.54 H new ATOM 0 HB3 GLN A 78 6.249 33.070 -33.575 1.00 52.54 H new ATOM 0 HG2 GLN A 78 6.623 31.842 -31.396 1.00 4.21 H new ATOM 0 HG3 GLN A 78 6.366 30.336 -32.254 1.00 4.21 H new ATOM 0 HE21 GLN A 78 8.470 33.141 -31.867 1.00 2.32 H new ATOM 0 HE22 GLN A 78 9.884 32.447 -32.667 1.00 2.32 H new ATOM 1267 N GLY A 79 2.328 32.920 -34.021 1.00 52.42 N ATOM 1268 CA GLY A 79 1.517 33.760 -34.884 1.00 61.14 C ATOM 1269 C GLY A 79 1.461 33.246 -36.308 1.00 10.04 C ATOM 1270 O GLY A 79 0.616 33.669 -37.097 1.00 2.12 O ATOM 0 H GLY A 79 1.828 32.147 -33.581 1.00 52.42 H new ATOM 0 HA2 GLY A 79 0.505 33.818 -34.482 1.00 61.14 H new ATOM 0 HA3 GLY A 79 1.920 34.773 -34.882 1.00 61.14 H new ATOM 1274 N THR A 80 2.367 32.335 -36.639 1.00 15.22 N ATOM 1275 CA THR A 80 2.395 31.729 -37.956 1.00 43.33 C ATOM 1276 C THR A 80 1.111 30.935 -38.199 1.00 64.12 C ATOM 1277 O THR A 80 0.693 30.136 -37.357 1.00 3.25 O ATOM 1278 CB THR A 80 3.622 30.810 -38.109 1.00 61.15 C ATOM 1279 OG1 THR A 80 4.811 31.531 -37.760 1.00 61.43 O ATOM 1280 CG2 THR A 80 3.747 30.295 -39.532 1.00 71.41 C ATOM 0 H THR A 80 3.094 32.001 -36.007 1.00 15.22 H new ATOM 0 HA THR A 80 2.466 32.525 -38.697 1.00 43.33 H new ATOM 0 HB THR A 80 3.493 29.957 -37.442 1.00 61.15 H new ATOM 0 HG1 THR A 80 5.590 30.944 -37.856 1.00 61.43 H new ATOM 0 HG21 THR A 80 4.622 29.649 -39.610 1.00 71.41 H new ATOM 0 HG22 THR A 80 2.853 29.728 -39.794 1.00 71.41 H new ATOM 0 HG23 THR A 80 3.856 31.137 -40.215 1.00 71.41 H new ATOM 1288 N SER A 81 0.500 31.149 -39.357 1.00 71.24 N ATOM 1289 CA SER A 81 -0.810 30.588 -39.664 1.00 23.22 C ATOM 1290 C SER A 81 -0.740 29.106 -40.045 1.00 20.45 C ATOM 1291 O SER A 81 -1.558 28.621 -40.828 1.00 25.41 O ATOM 1292 CB SER A 81 -1.440 31.387 -40.802 1.00 75.34 C ATOM 1293 OG SER A 81 -1.503 32.766 -40.475 1.00 32.14 O ATOM 0 H SER A 81 0.897 31.714 -40.108 1.00 71.24 H new ATOM 0 HA SER A 81 -1.421 30.656 -38.764 1.00 23.22 H new ATOM 0 HB2 SER A 81 -0.858 31.251 -41.713 1.00 75.34 H new ATOM 0 HB3 SER A 81 -2.443 31.011 -41.005 1.00 75.34 H new ATOM 0 HG SER A 81 -1.908 33.260 -41.218 1.00 32.14 H new ATOM 1299 N GLU A 82 0.217 28.384 -39.479 1.00 2.54 N ATOM 1300 CA GLU A 82 0.318 26.954 -39.715 1.00 50.42 C ATOM 1301 C GLU A 82 -0.703 26.216 -38.861 1.00 3.20 C ATOM 1302 O GLU A 82 -1.388 25.315 -39.343 1.00 13.13 O ATOM 1303 CB GLU A 82 1.725 26.441 -39.394 1.00 2.12 C ATOM 1304 CG GLU A 82 2.824 27.115 -40.198 1.00 42.42 C ATOM 1305 CD GLU A 82 2.607 27.011 -41.692 1.00 35.33 C ATOM 1306 OE1 GLU A 82 2.975 25.976 -42.281 1.00 43.30 O ATOM 1307 OE2 GLU A 82 2.075 27.967 -42.289 1.00 12.21 O ATOM 0 H GLU A 82 0.930 28.764 -38.857 1.00 2.54 H new ATOM 0 HA GLU A 82 0.116 26.768 -40.770 1.00 50.42 H new ATOM 0 HB2 GLU A 82 1.922 26.589 -38.332 1.00 2.12 H new ATOM 0 HB3 GLU A 82 1.760 25.367 -39.578 1.00 2.12 H new ATOM 0 HG2 GLU A 82 2.881 28.166 -39.916 1.00 42.42 H new ATOM 0 HG3 GLU A 82 3.783 26.664 -39.943 1.00 42.42 H new ATOM 1314 N SER A 83 -0.818 26.642 -37.599 1.00 15.45 N ATOM 1315 CA SER A 83 -1.693 25.995 -36.628 1.00 33.35 C ATOM 1316 C SER A 83 -1.378 24.507 -36.519 1.00 61.32 C ATOM 1317 O SER A 83 -2.073 23.661 -37.086 1.00 54.14 O ATOM 1318 CB SER A 83 -3.163 26.219 -36.984 1.00 25.04 C ATOM 1319 OG SER A 83 -3.466 27.606 -37.012 1.00 24.13 O ATOM 0 H SER A 83 -0.307 27.443 -37.227 1.00 15.45 H new ATOM 0 HA SER A 83 -1.511 26.449 -35.654 1.00 33.35 H new ATOM 0 HB2 SER A 83 -3.379 25.775 -37.956 1.00 25.04 H new ATOM 0 HB3 SER A 83 -3.800 25.717 -36.255 1.00 25.04 H new ATOM 0 HG SER A 83 -3.717 27.904 -36.113 1.00 24.13 H new ATOM 1325 N SER A 84 -0.308 24.205 -35.799 1.00 15.23 N ATOM 1326 CA SER A 84 0.160 22.840 -35.654 1.00 70.04 C ATOM 1327 C SER A 84 -0.850 22.004 -34.879 1.00 33.30 C ATOM 1328 O SER A 84 -1.062 22.225 -33.687 1.00 73.13 O ATOM 1329 CB SER A 84 1.510 22.832 -34.938 1.00 14.23 C ATOM 1330 OG SER A 84 2.442 23.678 -35.595 1.00 22.53 O ATOM 0 H SER A 84 0.255 24.896 -35.303 1.00 15.23 H new ATOM 0 HA SER A 84 0.276 22.403 -36.646 1.00 70.04 H new ATOM 0 HB2 SER A 84 1.380 23.160 -33.907 1.00 14.23 H new ATOM 0 HB3 SER A 84 1.900 21.815 -34.902 1.00 14.23 H new ATOM 0 HG SER A 84 3.297 23.657 -35.117 1.00 22.53 H new ATOM 1336 N LYS A 85 -1.499 21.076 -35.572 1.00 10.12 N ATOM 1337 CA LYS A 85 -2.406 20.143 -34.928 1.00 4.10 C ATOM 1338 C LYS A 85 -1.809 18.746 -34.973 1.00 65.33 C ATOM 1339 O LYS A 85 -1.931 18.025 -35.965 1.00 41.24 O ATOM 1340 CB LYS A 85 -3.794 20.173 -35.581 1.00 21.15 C ATOM 1341 CG LYS A 85 -4.852 19.386 -34.815 1.00 14.33 C ATOM 1342 CD LYS A 85 -4.992 17.963 -35.332 1.00 72.25 C ATOM 1343 CE LYS A 85 -5.593 17.935 -36.726 1.00 12.12 C ATOM 1344 NZ LYS A 85 -5.781 16.547 -37.218 1.00 75.15 N ATOM 0 H LYS A 85 -1.412 20.952 -36.581 1.00 10.12 H new ATOM 0 HA LYS A 85 -2.537 20.440 -33.888 1.00 4.10 H new ATOM 0 HB2 LYS A 85 -4.120 21.209 -35.672 1.00 21.15 H new ATOM 0 HB3 LYS A 85 -3.718 19.773 -36.592 1.00 21.15 H new ATOM 0 HG2 LYS A 85 -4.591 19.363 -33.757 1.00 14.33 H new ATOM 0 HG3 LYS A 85 -5.812 19.896 -34.895 1.00 14.33 H new ATOM 0 HD2 LYS A 85 -4.014 17.482 -35.346 1.00 72.25 H new ATOM 0 HD3 LYS A 85 -5.620 17.388 -34.652 1.00 72.25 H new ATOM 0 HE2 LYS A 85 -6.553 18.451 -36.718 1.00 12.12 H new ATOM 0 HE3 LYS A 85 -4.944 18.479 -37.412 1.00 12.12 H new ATOM 0 HZ1 LYS A 85 -6.270 16.567 -38.135 1.00 75.15 H new ATOM 0 HZ2 LYS A 85 -4.854 16.090 -37.330 1.00 75.15 H new ATOM 0 HZ3 LYS A 85 -6.351 16.010 -36.533 1.00 75.15 H new ATOM 1358 N LYS A 86 -1.141 18.386 -33.899 1.00 21.31 N ATOM 1359 CA LYS A 86 -0.446 17.118 -33.814 1.00 25.12 C ATOM 1360 C LYS A 86 -0.998 16.307 -32.652 1.00 21.22 C ATOM 1361 O LYS A 86 -1.312 16.864 -31.597 1.00 41.44 O ATOM 1362 CB LYS A 86 1.055 17.381 -33.646 1.00 1.51 C ATOM 1363 CG LYS A 86 1.899 16.137 -33.406 1.00 34.21 C ATOM 1364 CD LYS A 86 3.387 16.469 -33.371 1.00 21.32 C ATOM 1365 CE LYS A 86 3.679 17.627 -32.424 1.00 32.42 C ATOM 1366 NZ LYS A 86 5.137 17.884 -32.264 1.00 50.10 N ATOM 0 H LYS A 86 -1.064 18.962 -33.061 1.00 21.31 H new ATOM 0 HA LYS A 86 -0.599 16.543 -34.727 1.00 25.12 H new ATOM 0 HB2 LYS A 86 1.423 17.886 -34.539 1.00 1.51 H new ATOM 0 HB3 LYS A 86 1.198 18.066 -32.811 1.00 1.51 H new ATOM 0 HG2 LYS A 86 1.606 15.674 -32.464 1.00 34.21 H new ATOM 0 HG3 LYS A 86 1.706 15.408 -34.193 1.00 34.21 H new ATOM 0 HD2 LYS A 86 3.950 15.590 -33.057 1.00 21.32 H new ATOM 0 HD3 LYS A 86 3.728 16.724 -34.375 1.00 21.32 H new ATOM 0 HE2 LYS A 86 3.194 18.529 -32.799 1.00 32.42 H new ATOM 0 HE3 LYS A 86 3.243 17.412 -31.448 1.00 32.42 H new ATOM 0 HZ1 LYS A 86 5.284 18.861 -31.938 1.00 50.10 H new ATOM 0 HZ2 LYS A 86 5.531 17.223 -31.565 1.00 50.10 H new ATOM 0 HZ3 LYS A 86 5.616 17.748 -33.177 1.00 50.10 H new ATOM 1380 N GLN A 87 -1.139 15.002 -32.849 1.00 4.55 N ATOM 1381 CA GLN A 87 -1.642 14.140 -31.795 1.00 2.20 C ATOM 1382 C GLN A 87 -0.539 13.884 -30.777 1.00 33.01 C ATOM 1383 O GLN A 87 0.550 13.417 -31.114 1.00 33.24 O ATOM 1384 CB GLN A 87 -2.201 12.829 -32.367 1.00 31.22 C ATOM 1385 CG GLN A 87 -1.192 11.987 -33.131 1.00 42.01 C ATOM 1386 CD GLN A 87 -1.826 10.765 -33.767 1.00 54.11 C ATOM 1387 OE1 GLN A 87 -2.993 10.788 -34.162 1.00 40.44 O ATOM 1388 NE2 GLN A 87 -1.072 9.682 -33.849 1.00 11.24 N ATOM 0 H GLN A 87 -0.914 14.524 -33.721 1.00 4.55 H new ATOM 0 HA GLN A 87 -2.469 14.641 -31.292 1.00 2.20 H new ATOM 0 HB2 GLN A 87 -2.604 12.234 -31.548 1.00 31.22 H new ATOM 0 HB3 GLN A 87 -3.034 13.064 -33.030 1.00 31.22 H new ATOM 0 HG2 GLN A 87 -0.726 12.596 -33.905 1.00 42.01 H new ATOM 0 HG3 GLN A 87 -0.399 11.671 -32.454 1.00 42.01 H new ATOM 0 HE21 GLN A 87 -0.110 9.704 -33.511 1.00 11.24 H new ATOM 0 HE22 GLN A 87 -1.452 8.825 -34.251 1.00 11.24 H new ATOM 1397 N LYS A 88 -0.819 14.241 -29.541 1.00 72.31 N ATOM 1398 CA LYS A 88 0.171 14.202 -28.485 1.00 52.11 C ATOM 1399 C LYS A 88 -0.371 13.461 -27.273 1.00 42.12 C ATOM 1400 O LYS A 88 -1.433 13.803 -26.750 1.00 0.31 O ATOM 1401 CB LYS A 88 0.554 15.632 -28.103 1.00 20.32 C ATOM 1402 CG LYS A 88 1.227 16.402 -29.230 1.00 13.03 C ATOM 1403 CD LYS A 88 1.102 17.910 -29.048 1.00 31.42 C ATOM 1404 CE LYS A 88 1.635 18.372 -27.702 1.00 1.10 C ATOM 1405 NZ LYS A 88 3.033 17.926 -27.466 1.00 53.30 N ATOM 0 H LYS A 88 -1.738 14.566 -29.240 1.00 72.31 H new ATOM 0 HA LYS A 88 1.054 13.671 -28.840 1.00 52.11 H new ATOM 0 HB2 LYS A 88 -0.342 16.169 -27.791 1.00 20.32 H new ATOM 0 HB3 LYS A 88 1.223 15.603 -27.243 1.00 20.32 H new ATOM 0 HG2 LYS A 88 2.281 16.129 -29.276 1.00 13.03 H new ATOM 0 HG3 LYS A 88 0.781 16.114 -30.182 1.00 13.03 H new ATOM 0 HD2 LYS A 88 1.646 18.417 -29.845 1.00 31.42 H new ATOM 0 HD3 LYS A 88 0.055 18.200 -29.141 1.00 31.42 H new ATOM 0 HE2 LYS A 88 1.589 19.460 -27.649 1.00 1.10 H new ATOM 0 HE3 LYS A 88 0.994 17.987 -26.908 1.00 1.10 H new ATOM 0 HZ1 LYS A 88 3.445 18.474 -26.684 1.00 53.30 H new ATOM 0 HZ2 LYS A 88 3.038 16.915 -27.220 1.00 53.30 H new ATOM 0 HZ3 LYS A 88 3.595 18.076 -28.328 1.00 53.30 H new ATOM 1419 N LEU A 89 0.366 12.453 -26.835 1.00 63.23 N ATOM 1420 CA LEU A 89 -0.046 11.636 -25.705 1.00 63.23 C ATOM 1421 C LEU A 89 0.488 12.234 -24.412 1.00 30.43 C ATOM 1422 O LEU A 89 1.686 12.507 -24.294 1.00 1.45 O ATOM 1423 CB LEU A 89 0.474 10.196 -25.830 1.00 13.32 C ATOM 1424 CG LEU A 89 0.253 9.478 -27.174 1.00 12.53 C ATOM 1425 CD1 LEU A 89 1.175 10.022 -28.257 1.00 1.41 C ATOM 1426 CD2 LEU A 89 0.476 7.982 -27.010 1.00 40.25 C ATOM 0 H LEU A 89 1.258 12.180 -27.248 1.00 63.23 H new ATOM 0 HA LEU A 89 -1.136 11.616 -25.695 1.00 63.23 H new ATOM 0 HB2 LEU A 89 1.544 10.205 -25.625 1.00 13.32 H new ATOM 0 HB3 LEU A 89 0.005 9.599 -25.048 1.00 13.32 H new ATOM 0 HG LEU A 89 -0.776 9.662 -27.484 1.00 12.53 H new ATOM 0 HD11 LEU A 89 0.991 9.492 -29.191 1.00 1.41 H new ATOM 0 HD12 LEU A 89 0.982 11.085 -28.399 1.00 1.41 H new ATOM 0 HD13 LEU A 89 2.213 9.879 -27.957 1.00 1.41 H new ATOM 0 HD21 LEU A 89 0.317 7.483 -27.966 1.00 40.25 H new ATOM 0 HD22 LEU A 89 1.496 7.801 -26.671 1.00 40.25 H new ATOM 0 HD23 LEU A 89 -0.225 7.588 -26.275 1.00 40.25 H new ATOM 1438 N PHE A 90 -0.392 12.439 -23.448 1.00 2.40 N ATOM 1439 CA PHE A 90 0.002 12.984 -22.161 1.00 63.31 C ATOM 1440 C PHE A 90 -0.639 12.227 -21.015 1.00 54.42 C ATOM 1441 O PHE A 90 -1.834 11.947 -21.028 1.00 15.35 O ATOM 1442 CB PHE A 90 -0.364 14.462 -22.067 1.00 3.13 C ATOM 1443 CG PHE A 90 0.472 15.318 -22.958 1.00 40.35 C ATOM 1444 CD1 PHE A 90 1.801 15.544 -22.656 1.00 23.53 C ATOM 1445 CD2 PHE A 90 -0.058 15.875 -24.106 1.00 32.25 C ATOM 1446 CE1 PHE A 90 2.587 16.315 -23.479 1.00 3.24 C ATOM 1447 CE2 PHE A 90 0.724 16.651 -24.932 1.00 45.23 C ATOM 1448 CZ PHE A 90 2.051 16.868 -24.621 1.00 54.11 C ATOM 0 H PHE A 90 -1.388 12.235 -23.533 1.00 2.40 H new ATOM 0 HA PHE A 90 1.084 12.875 -22.082 1.00 63.31 H new ATOM 0 HB2 PHE A 90 -1.415 14.590 -22.328 1.00 3.13 H new ATOM 0 HB3 PHE A 90 -0.249 14.796 -21.036 1.00 3.13 H new ATOM 0 HD1 PHE A 90 2.227 15.110 -21.763 1.00 23.53 H new ATOM 0 HD2 PHE A 90 -1.094 15.700 -24.357 1.00 32.25 H new ATOM 0 HE1 PHE A 90 3.624 16.487 -23.230 1.00 3.24 H new ATOM 0 HE2 PHE A 90 0.299 17.090 -25.823 1.00 45.23 H new ATOM 0 HZ PHE A 90 2.668 17.470 -25.272 1.00 54.11 H new ATOM 1458 N LEU A 91 0.164 11.919 -20.020 1.00 43.44 N ATOM 1459 CA LEU A 91 -0.320 11.265 -18.825 1.00 11.41 C ATOM 1460 C LEU A 91 -0.498 12.302 -17.734 1.00 53.11 C ATOM 1461 O LEU A 91 0.437 13.026 -17.399 1.00 51.41 O ATOM 1462 CB LEU A 91 0.661 10.182 -18.371 1.00 21.24 C ATOM 1463 CG LEU A 91 0.349 9.550 -17.013 1.00 44.51 C ATOM 1464 CD1 LEU A 91 -0.970 8.793 -17.056 1.00 64.00 C ATOM 1465 CD2 LEU A 91 1.483 8.636 -16.584 1.00 23.22 C ATOM 0 H LEU A 91 1.165 12.114 -20.016 1.00 43.44 H new ATOM 0 HA LEU A 91 -1.277 10.787 -19.037 1.00 11.41 H new ATOM 0 HB2 LEU A 91 0.682 9.394 -19.124 1.00 21.24 H new ATOM 0 HB3 LEU A 91 1.661 10.613 -18.332 1.00 21.24 H new ATOM 0 HG LEU A 91 0.252 10.348 -16.277 1.00 44.51 H new ATOM 0 HD11 LEU A 91 -1.169 8.353 -16.079 1.00 64.00 H new ATOM 0 HD12 LEU A 91 -1.775 9.480 -17.316 1.00 64.00 H new ATOM 0 HD13 LEU A 91 -0.912 8.003 -17.805 1.00 64.00 H new ATOM 0 HD21 LEU A 91 1.247 8.193 -15.616 1.00 23.22 H new ATOM 0 HD22 LEU A 91 1.612 7.845 -17.323 1.00 23.22 H new ATOM 0 HD23 LEU A 91 2.405 9.212 -16.504 1.00 23.22 H new ATOM 1477 N MET A 92 -1.699 12.395 -17.205 1.00 35.30 N ATOM 1478 CA MET A 92 -1.977 13.333 -16.139 1.00 60.34 C ATOM 1479 C MET A 92 -2.589 12.615 -14.951 1.00 71.11 C ATOM 1480 O MET A 92 -3.720 12.137 -15.004 1.00 51.43 O ATOM 1481 CB MET A 92 -2.867 14.481 -16.631 1.00 64.04 C ATOM 1482 CG MET A 92 -4.087 14.041 -17.421 1.00 24.14 C ATOM 1483 SD MET A 92 -4.938 15.435 -18.189 1.00 45.21 S ATOM 1484 CE MET A 92 -5.513 16.320 -16.740 1.00 12.45 C ATOM 0 H MET A 92 -2.499 11.832 -17.496 1.00 35.30 H new ATOM 0 HA MET A 92 -1.036 13.776 -15.813 1.00 60.34 H new ATOM 0 HB2 MET A 92 -3.198 15.061 -15.770 1.00 64.04 H new ATOM 0 HB3 MET A 92 -2.268 15.147 -17.253 1.00 64.04 H new ATOM 0 HG2 MET A 92 -3.783 13.333 -18.192 1.00 24.14 H new ATOM 0 HG3 MET A 92 -4.776 13.516 -16.760 1.00 24.14 H new ATOM 0 HE1 MET A 92 -6.429 16.859 -16.982 1.00 12.45 H new ATOM 0 HE2 MET A 92 -5.711 15.612 -15.936 1.00 12.45 H new ATOM 0 HE3 MET A 92 -4.749 17.029 -16.420 1.00 12.45 H new ATOM 1494 N SER A 93 -1.804 12.516 -13.896 1.00 74.10 N ATOM 1495 CA SER A 93 -2.227 11.862 -12.677 1.00 14.24 C ATOM 1496 C SER A 93 -2.953 12.856 -11.787 1.00 32.31 C ATOM 1497 O SER A 93 -2.478 13.969 -11.583 1.00 10.02 O ATOM 1498 CB SER A 93 -1.013 11.285 -11.948 1.00 72.33 C ATOM 1499 OG SER A 93 -1.388 10.656 -10.737 1.00 75.25 O ATOM 0 H SER A 93 -0.855 12.888 -13.862 1.00 74.10 H new ATOM 0 HA SER A 93 -2.907 11.047 -12.923 1.00 14.24 H new ATOM 0 HB2 SER A 93 -0.508 10.565 -12.592 1.00 72.33 H new ATOM 0 HB3 SER A 93 -0.299 12.082 -11.740 1.00 72.33 H new ATOM 0 HG SER A 93 -0.629 10.660 -10.118 1.00 75.25 H new ATOM 1505 N TRP A 94 -4.102 12.463 -11.270 1.00 62.32 N ATOM 1506 CA TRP A 94 -4.850 13.321 -10.377 1.00 61.14 C ATOM 1507 C TRP A 94 -4.814 12.735 -8.975 1.00 44.24 C ATOM 1508 O TRP A 94 -5.502 11.758 -8.676 1.00 53.55 O ATOM 1509 CB TRP A 94 -6.289 13.480 -10.861 1.00 34.31 C ATOM 1510 CG TRP A 94 -6.938 14.731 -10.355 1.00 41.54 C ATOM 1511 CD1 TRP A 94 -6.622 16.011 -10.706 1.00 40.21 C ATOM 1512 CD2 TRP A 94 -8.007 14.826 -9.410 1.00 32.24 C ATOM 1513 NE1 TRP A 94 -7.427 16.897 -10.037 1.00 34.45 N ATOM 1514 CE2 TRP A 94 -8.289 16.195 -9.236 1.00 74.42 C ATOM 1515 CE3 TRP A 94 -8.756 13.890 -8.697 1.00 72.51 C ATOM 1516 CZ2 TRP A 94 -9.285 16.648 -8.378 1.00 22.23 C ATOM 1517 CZ3 TRP A 94 -9.745 14.341 -7.845 1.00 1.51 C ATOM 1518 CH2 TRP A 94 -10.001 15.709 -7.693 1.00 34.13 C ATOM 0 H TRP A 94 -4.535 11.558 -11.454 1.00 62.32 H new ATOM 0 HA TRP A 94 -4.395 14.311 -10.364 1.00 61.14 H new ATOM 0 HB2 TRP A 94 -6.302 13.485 -11.951 1.00 34.31 H new ATOM 0 HB3 TRP A 94 -6.873 12.618 -10.539 1.00 34.31 H new ATOM 0 HD1 TRP A 94 -5.850 16.287 -11.409 1.00 40.21 H new ATOM 0 HE1 TRP A 94 -7.390 17.913 -10.122 1.00 34.45 H new ATOM 0 HE3 TRP A 94 -8.566 12.833 -8.809 1.00 72.51 H new ATOM 0 HZ2 TRP A 94 -9.485 17.703 -8.258 1.00 22.23 H new ATOM 0 HZ3 TRP A 94 -10.331 13.626 -7.286 1.00 1.51 H new ATOM 0 HH2 TRP A 94 -10.782 16.028 -7.019 1.00 34.13 H new ATOM 1529 N CYS A 95 -3.984 13.317 -8.129 1.00 54.14 N ATOM 1530 CA CYS A 95 -3.788 12.802 -6.790 1.00 71.22 C ATOM 1531 C CYS A 95 -3.268 13.892 -5.868 1.00 52.32 C ATOM 1532 O CYS A 95 -2.205 14.468 -6.109 1.00 52.52 O ATOM 1533 CB CYS A 95 -2.804 11.629 -6.811 1.00 3.33 C ATOM 1534 SG CYS A 95 -2.389 10.976 -5.175 1.00 55.51 S ATOM 0 H CYS A 95 -3.435 14.148 -8.348 1.00 54.14 H new ATOM 0 HA CYS A 95 -4.750 12.454 -6.414 1.00 71.22 H new ATOM 0 HB2 CYS A 95 -3.228 10.825 -7.413 1.00 3.33 H new ATOM 0 HB3 CYS A 95 -1.887 11.948 -7.305 1.00 3.33 H new ATOM 0 HG CYS A 95 -2.017 11.951 -4.400 1.00 55.51 H new ATOM 1540 N PRO A 96 -4.028 14.205 -4.814 1.00 44.52 N ATOM 1541 CA PRO A 96 -3.580 15.123 -3.774 1.00 52.51 C ATOM 1542 C PRO A 96 -2.454 14.512 -2.944 1.00 63.43 C ATOM 1543 O PRO A 96 -2.690 13.693 -2.058 1.00 21.50 O ATOM 1544 CB PRO A 96 -4.833 15.357 -2.925 1.00 32.02 C ATOM 1545 CG PRO A 96 -5.697 14.168 -3.176 1.00 1.34 C ATOM 1546 CD PRO A 96 -5.395 13.710 -4.575 1.00 21.15 C ATOM 0 HA PRO A 96 -3.171 16.048 -4.180 1.00 52.51 H new ATOM 0 HB2 PRO A 96 -4.582 15.447 -1.868 1.00 32.02 H new ATOM 0 HB3 PRO A 96 -5.338 16.279 -3.212 1.00 32.02 H new ATOM 0 HG2 PRO A 96 -5.488 13.377 -2.455 1.00 1.34 H new ATOM 0 HG3 PRO A 96 -6.751 14.425 -3.071 1.00 1.34 H new ATOM 0 HD2 PRO A 96 -5.449 12.625 -4.662 1.00 21.15 H new ATOM 0 HD3 PRO A 96 -6.103 14.123 -5.294 1.00 21.15 H new ATOM 1554 N ASP A 97 -1.225 14.898 -3.263 1.00 71.42 N ATOM 1555 CA ASP A 97 -0.040 14.364 -2.594 1.00 23.54 C ATOM 1556 C ASP A 97 -0.050 14.682 -1.101 1.00 2.22 C ATOM 1557 O ASP A 97 0.475 13.920 -0.287 1.00 0.53 O ATOM 1558 CB ASP A 97 1.226 14.929 -3.246 1.00 13.41 C ATOM 1559 CG ASP A 97 2.493 14.526 -2.517 1.00 1.33 C ATOM 1560 OD1 ASP A 97 2.917 13.360 -2.644 1.00 23.40 O ATOM 1561 OD2 ASP A 97 3.071 15.372 -1.804 1.00 71.42 O ATOM 0 H ASP A 97 -1.020 15.586 -3.988 1.00 71.42 H new ATOM 0 HA ASP A 97 -0.051 13.280 -2.703 1.00 23.54 H new ATOM 0 HB2 ASP A 97 1.282 14.585 -4.279 1.00 13.41 H new ATOM 0 HB3 ASP A 97 1.160 16.017 -3.275 1.00 13.41 H new ATOM 1566 N THR A 98 -0.665 15.798 -0.748 1.00 53.42 N ATOM 1567 CA THR A 98 -0.724 16.233 0.637 1.00 71.13 C ATOM 1568 C THR A 98 -1.845 15.518 1.401 1.00 25.22 C ATOM 1569 O THR A 98 -1.914 15.584 2.629 1.00 52.44 O ATOM 1570 CB THR A 98 -0.944 17.755 0.704 1.00 32.12 C ATOM 1571 OG1 THR A 98 -0.083 18.411 -0.237 1.00 72.51 O ATOM 1572 CG2 THR A 98 -0.667 18.291 2.099 1.00 61.03 C ATOM 0 H THR A 98 -1.133 16.422 -1.405 1.00 53.42 H new ATOM 0 HA THR A 98 0.226 15.979 1.106 1.00 71.13 H new ATOM 0 HB THR A 98 -1.987 17.956 0.458 1.00 32.12 H new ATOM 0 HG1 THR A 98 -0.227 19.379 -0.193 1.00 72.51 H new ATOM 0 HG21 THR A 98 -0.831 19.368 2.114 1.00 61.03 H new ATOM 0 HG22 THR A 98 -1.337 17.812 2.813 1.00 61.03 H new ATOM 0 HG23 THR A 98 0.366 18.078 2.372 1.00 61.03 H new ATOM 1580 N ALA A 99 -2.713 14.819 0.678 1.00 72.54 N ATOM 1581 CA ALA A 99 -3.867 14.176 1.295 1.00 11.54 C ATOM 1582 C ALA A 99 -3.558 12.743 1.705 1.00 22.11 C ATOM 1583 O ALA A 99 -3.642 11.824 0.890 1.00 74.25 O ATOM 1584 CB ALA A 99 -5.062 14.215 0.358 1.00 11.00 C ATOM 0 H ALA A 99 -2.640 14.684 -0.330 1.00 72.54 H new ATOM 0 HA ALA A 99 -4.111 14.733 2.200 1.00 11.54 H new ATOM 0 HB1 ALA A 99 -5.914 13.731 0.835 1.00 11.00 H new ATOM 0 HB2 ALA A 99 -5.313 15.251 0.132 1.00 11.00 H new ATOM 0 HB3 ALA A 99 -4.817 13.691 -0.566 1.00 11.00 H new ATOM 1590 N LYS A 100 -3.195 12.577 2.976 1.00 41.14 N ATOM 1591 CA LYS A 100 -2.912 11.269 3.564 1.00 24.25 C ATOM 1592 C LYS A 100 -1.759 10.567 2.844 1.00 3.14 C ATOM 1593 O LYS A 100 -1.931 9.970 1.780 1.00 10.24 O ATOM 1594 CB LYS A 100 -4.180 10.411 3.569 1.00 34.02 C ATOM 1595 CG LYS A 100 -4.043 9.104 4.331 1.00 22.34 C ATOM 1596 CD LYS A 100 -5.365 8.687 4.958 1.00 54.12 C ATOM 1597 CE LYS A 100 -6.479 8.570 3.926 1.00 34.15 C ATOM 1598 NZ LYS A 100 -7.811 8.398 4.566 1.00 32.35 N ATOM 0 H LYS A 100 -3.088 13.352 3.631 1.00 41.14 H new ATOM 0 HA LYS A 100 -2.594 11.417 4.596 1.00 24.25 H new ATOM 0 HB2 LYS A 100 -4.995 10.989 4.005 1.00 34.02 H new ATOM 0 HB3 LYS A 100 -4.460 10.191 2.539 1.00 34.02 H new ATOM 0 HG2 LYS A 100 -3.696 8.322 3.656 1.00 22.34 H new ATOM 0 HG3 LYS A 100 -3.287 9.212 5.109 1.00 22.34 H new ATOM 0 HD2 LYS A 100 -5.239 7.730 5.465 1.00 54.12 H new ATOM 0 HD3 LYS A 100 -5.651 9.415 5.718 1.00 54.12 H new ATOM 0 HE2 LYS A 100 -6.489 9.462 3.300 1.00 34.15 H new ATOM 0 HE3 LYS A 100 -6.279 7.723 3.270 1.00 34.15 H new ATOM 0 HZ1 LYS A 100 -8.542 8.322 3.830 1.00 32.35 H new ATOM 0 HZ2 LYS A 100 -7.810 7.533 5.143 1.00 32.35 H new ATOM 0 HZ3 LYS A 100 -8.013 9.218 5.172 1.00 32.35 H new ATOM 1612 N VAL A 101 -0.581 10.626 3.455 1.00 2.01 N ATOM 1613 CA VAL A 101 0.646 10.129 2.837 1.00 4.21 C ATOM 1614 C VAL A 101 0.545 8.658 2.436 1.00 34.00 C ATOM 1615 O VAL A 101 1.167 8.237 1.467 1.00 14.13 O ATOM 1616 CB VAL A 101 1.873 10.328 3.755 1.00 13.20 C ATOM 1617 CG1 VAL A 101 2.168 11.809 3.933 1.00 5.40 C ATOM 1618 CG2 VAL A 101 1.663 9.658 5.106 1.00 44.40 C ATOM 0 H VAL A 101 -0.448 11.017 4.388 1.00 2.01 H new ATOM 0 HA VAL A 101 0.780 10.721 1.932 1.00 4.21 H new ATOM 0 HB VAL A 101 2.732 9.856 3.277 1.00 13.20 H new ATOM 0 HG11 VAL A 101 3.035 11.932 4.582 1.00 5.40 H new ATOM 0 HG12 VAL A 101 2.375 12.258 2.962 1.00 5.40 H new ATOM 0 HG13 VAL A 101 1.305 12.300 4.383 1.00 5.40 H new ATOM 0 HG21 VAL A 101 2.543 9.815 5.730 1.00 44.40 H new ATOM 0 HG22 VAL A 101 0.789 10.090 5.594 1.00 44.40 H new ATOM 0 HG23 VAL A 101 1.506 8.589 4.962 1.00 44.40 H new ATOM 1628 N LYS A 102 -0.252 7.885 3.162 1.00 3.20 N ATOM 1629 CA LYS A 102 -0.400 6.465 2.863 1.00 23.02 C ATOM 1630 C LYS A 102 -1.407 6.232 1.741 1.00 74.30 C ATOM 1631 O LYS A 102 -1.399 5.185 1.097 1.00 73.12 O ATOM 1632 CB LYS A 102 -0.811 5.686 4.114 1.00 74.34 C ATOM 1633 CG LYS A 102 0.276 5.634 5.176 1.00 62.04 C ATOM 1634 CD LYS A 102 -0.121 4.750 6.345 1.00 73.04 C ATOM 1635 CE LYS A 102 1.019 4.614 7.339 1.00 72.21 C ATOM 1636 NZ LYS A 102 0.663 3.732 8.477 1.00 31.14 N ATOM 0 H LYS A 102 -0.802 8.213 3.956 1.00 3.20 H new ATOM 0 HA LYS A 102 0.570 6.100 2.526 1.00 23.02 H new ATOM 0 HB2 LYS A 102 -1.704 6.143 4.541 1.00 74.34 H new ATOM 0 HB3 LYS A 102 -1.079 4.669 3.828 1.00 74.34 H new ATOM 0 HG2 LYS A 102 1.199 5.259 4.734 1.00 62.04 H new ATOM 0 HG3 LYS A 102 0.481 6.642 5.536 1.00 62.04 H new ATOM 0 HD2 LYS A 102 -0.994 5.171 6.844 1.00 73.04 H new ATOM 0 HD3 LYS A 102 -0.408 3.764 5.979 1.00 73.04 H new ATOM 0 HE2 LYS A 102 1.897 4.214 6.831 1.00 72.21 H new ATOM 0 HE3 LYS A 102 1.291 5.600 7.716 1.00 72.21 H new ATOM 0 HZ1 LYS A 102 1.469 3.667 9.131 1.00 31.14 H new ATOM 0 HZ2 LYS A 102 -0.159 4.126 8.978 1.00 31.14 H new ATOM 0 HZ3 LYS A 102 0.429 2.783 8.121 1.00 31.14 H new ATOM 1650 N LYS A 103 -2.261 7.215 1.492 1.00 74.12 N ATOM 1651 CA LYS A 103 -3.258 7.095 0.439 1.00 43.44 C ATOM 1652 C LYS A 103 -2.637 7.471 -0.902 1.00 73.35 C ATOM 1653 O LYS A 103 -2.934 6.864 -1.930 1.00 51.41 O ATOM 1654 CB LYS A 103 -4.467 7.984 0.743 1.00 53.41 C ATOM 1655 CG LYS A 103 -5.687 7.714 -0.132 1.00 63.44 C ATOM 1656 CD LYS A 103 -6.503 6.511 0.350 1.00 40.54 C ATOM 1657 CE LYS A 103 -5.775 5.188 0.142 1.00 34.31 C ATOM 1658 NZ LYS A 103 -6.612 4.015 0.514 1.00 52.10 N ATOM 0 H LYS A 103 -2.284 8.099 2.001 1.00 74.12 H new ATOM 0 HA LYS A 103 -3.602 6.062 0.390 1.00 43.44 H new ATOM 0 HB2 LYS A 103 -4.748 7.849 1.788 1.00 53.41 H new ATOM 0 HB3 LYS A 103 -4.174 9.027 0.624 1.00 53.41 H new ATOM 0 HG2 LYS A 103 -6.324 8.599 -0.144 1.00 63.44 H new ATOM 0 HG3 LYS A 103 -5.362 7.541 -1.158 1.00 63.44 H new ATOM 0 HD2 LYS A 103 -6.732 6.633 1.409 1.00 40.54 H new ATOM 0 HD3 LYS A 103 -7.454 6.485 -0.181 1.00 40.54 H new ATOM 0 HE2 LYS A 103 -5.476 5.101 -0.903 1.00 34.31 H new ATOM 0 HE3 LYS A 103 -4.861 5.182 0.736 1.00 34.31 H new ATOM 0 HZ1 LYS A 103 -5.997 3.205 0.733 1.00 52.10 H new ATOM 0 HZ2 LYS A 103 -7.186 4.249 1.349 1.00 52.10 H new ATOM 0 HZ3 LYS A 103 -7.238 3.770 -0.279 1.00 52.10 H new ATOM 1672 N LYS A 104 -1.758 8.470 -0.881 1.00 75.04 N ATOM 1673 CA LYS A 104 -1.037 8.873 -2.081 1.00 65.34 C ATOM 1674 C LYS A 104 0.157 7.951 -2.324 1.00 24.24 C ATOM 1675 O LYS A 104 0.741 7.942 -3.408 1.00 72.51 O ATOM 1676 CB LYS A 104 -0.606 10.351 -2.007 1.00 72.31 C ATOM 1677 CG LYS A 104 0.324 10.710 -0.852 1.00 41.43 C ATOM 1678 CD LYS A 104 1.775 10.354 -1.150 1.00 10.44 C ATOM 1679 CE LYS A 104 2.722 10.938 -0.113 1.00 74.24 C ATOM 1680 NZ LYS A 104 2.737 12.424 -0.158 1.00 73.33 N ATOM 0 H LYS A 104 -1.530 9.013 -0.048 1.00 75.04 H new ATOM 0 HA LYS A 104 -1.712 8.779 -2.931 1.00 65.34 H new ATOM 0 HB2 LYS A 104 -0.112 10.614 -2.943 1.00 72.31 H new ATOM 0 HB3 LYS A 104 -1.501 10.969 -1.934 1.00 72.31 H new ATOM 0 HG2 LYS A 104 0.249 11.778 -0.645 1.00 41.43 H new ATOM 0 HG3 LYS A 104 0.001 10.187 0.048 1.00 41.43 H new ATOM 0 HD2 LYS A 104 1.886 9.270 -1.175 1.00 10.44 H new ATOM 0 HD3 LYS A 104 2.045 10.725 -2.139 1.00 10.44 H new ATOM 0 HE2 LYS A 104 2.422 10.607 0.881 1.00 74.24 H new ATOM 0 HE3 LYS A 104 3.729 10.558 -0.285 1.00 74.24 H new ATOM 0 HZ1 LYS A 104 3.393 12.787 0.563 1.00 73.33 H new ATOM 0 HZ2 LYS A 104 3.047 12.740 -1.099 1.00 73.33 H new ATOM 0 HZ3 LYS A 104 1.781 12.787 0.031 1.00 73.33 H new ATOM 1694 N MET A 105 0.524 7.185 -1.299 1.00 42.03 N ATOM 1695 CA MET A 105 1.630 6.232 -1.399 1.00 1.22 C ATOM 1696 C MET A 105 1.316 5.178 -2.462 1.00 24.53 C ATOM 1697 O MET A 105 2.205 4.702 -3.164 1.00 12.42 O ATOM 1698 CB MET A 105 1.878 5.570 -0.036 1.00 45.34 C ATOM 1699 CG MET A 105 3.325 5.151 0.212 1.00 43.20 C ATOM 1700 SD MET A 105 3.878 3.795 -0.842 1.00 15.30 S ATOM 1701 CE MET A 105 5.539 3.541 -0.225 1.00 75.43 C ATOM 0 H MET A 105 0.070 7.205 -0.386 1.00 42.03 H new ATOM 0 HA MET A 105 2.535 6.763 -1.694 1.00 1.22 H new ATOM 0 HB2 MET A 105 1.574 6.261 0.750 1.00 45.34 H new ATOM 0 HB3 MET A 105 1.239 4.691 0.048 1.00 45.34 H new ATOM 0 HG2 MET A 105 3.975 6.011 0.053 1.00 43.20 H new ATOM 0 HG3 MET A 105 3.435 4.856 1.256 1.00 43.20 H new ATOM 0 HE1 MET A 105 6.013 2.731 -0.779 1.00 75.43 H new ATOM 0 HE2 MET A 105 6.118 4.456 -0.352 1.00 75.43 H new ATOM 0 HE3 MET A 105 5.498 3.281 0.833 1.00 75.43 H new ATOM 1711 N LEU A 106 0.031 4.844 -2.591 1.00 1.10 N ATOM 1712 CA LEU A 106 -0.429 3.907 -3.617 1.00 3.40 C ATOM 1713 C LEU A 106 -0.030 4.418 -4.994 1.00 44.12 C ATOM 1714 O LEU A 106 0.392 3.662 -5.870 1.00 41.34 O ATOM 1715 CB LEU A 106 -1.953 3.771 -3.577 1.00 64.50 C ATOM 1716 CG LEU A 106 -2.587 3.661 -2.192 1.00 51.33 C ATOM 1717 CD1 LEU A 106 -4.098 3.598 -2.323 1.00 45.44 C ATOM 1718 CD2 LEU A 106 -2.068 2.440 -1.456 1.00 0.30 C ATOM 0 H LEU A 106 -0.712 5.210 -1.995 1.00 1.10 H new ATOM 0 HA LEU A 106 0.029 2.937 -3.423 1.00 3.40 H new ATOM 0 HB2 LEU A 106 -2.387 4.633 -4.084 1.00 64.50 H new ATOM 0 HB3 LEU A 106 -2.233 2.888 -4.152 1.00 64.50 H new ATOM 0 HG LEU A 106 -2.315 4.544 -1.613 1.00 51.33 H new ATOM 0 HD11 LEU A 106 -4.546 3.520 -1.332 1.00 45.44 H new ATOM 0 HD12 LEU A 106 -4.459 4.502 -2.814 1.00 45.44 H new ATOM 0 HD13 LEU A 106 -4.376 2.727 -2.917 1.00 45.44 H new ATOM 0 HD21 LEU A 106 -2.534 2.383 -0.472 1.00 0.30 H new ATOM 0 HD22 LEU A 106 -2.310 1.542 -2.025 1.00 0.30 H new ATOM 0 HD23 LEU A 106 -0.987 2.516 -1.342 1.00 0.30 H new ATOM 1730 N TYR A 107 -0.172 5.722 -5.153 1.00 0.11 N ATOM 1731 CA TYR A 107 0.129 6.407 -6.396 1.00 71.11 C ATOM 1732 C TYR A 107 1.630 6.423 -6.663 1.00 1.20 C ATOM 1733 O TYR A 107 2.064 6.373 -7.814 1.00 23.41 O ATOM 1734 CB TYR A 107 -0.440 7.832 -6.317 1.00 50.13 C ATOM 1735 CG TYR A 107 0.437 8.905 -6.927 1.00 1.30 C ATOM 1736 CD1 TYR A 107 0.387 9.189 -8.284 1.00 62.40 C ATOM 1737 CD2 TYR A 107 1.322 9.630 -6.137 1.00 33.03 C ATOM 1738 CE1 TYR A 107 1.195 10.162 -8.836 1.00 72.20 C ATOM 1739 CE2 TYR A 107 2.131 10.605 -6.682 1.00 52.15 C ATOM 1740 CZ TYR A 107 2.065 10.865 -8.032 1.00 54.43 C ATOM 1741 OH TYR A 107 2.870 11.832 -8.583 1.00 22.11 O ATOM 0 H TYR A 107 -0.503 6.341 -4.414 1.00 0.11 H new ATOM 0 HA TYR A 107 -0.333 5.878 -7.229 1.00 71.11 H new ATOM 0 HB2 TYR A 107 -1.409 7.849 -6.816 1.00 50.13 H new ATOM 0 HB3 TYR A 107 -0.616 8.079 -5.270 1.00 50.13 H new ATOM 0 HD1 TYR A 107 -0.294 8.641 -8.918 1.00 62.40 H new ATOM 0 HD2 TYR A 107 1.377 9.426 -5.078 1.00 33.03 H new ATOM 0 HE1 TYR A 107 1.145 10.372 -9.894 1.00 72.20 H new ATOM 0 HE2 TYR A 107 2.812 11.161 -6.054 1.00 52.15 H new ATOM 0 HH TYR A 107 3.424 12.235 -7.882 1.00 22.11 H new ATOM 1751 N SER A 108 2.415 6.459 -5.593 1.00 44.04 N ATOM 1752 CA SER A 108 3.861 6.595 -5.702 1.00 34.31 C ATOM 1753 C SER A 108 4.467 5.459 -6.524 1.00 40.33 C ATOM 1754 O SER A 108 5.369 5.683 -7.335 1.00 34.31 O ATOM 1755 CB SER A 108 4.483 6.629 -4.306 1.00 1.43 C ATOM 1756 OG SER A 108 3.865 7.622 -3.500 1.00 71.35 O ATOM 0 H SER A 108 2.071 6.395 -4.635 1.00 44.04 H new ATOM 0 HA SER A 108 4.078 7.530 -6.218 1.00 34.31 H new ATOM 0 HB2 SER A 108 4.377 5.653 -3.832 1.00 1.43 H new ATOM 0 HB3 SER A 108 5.551 6.831 -4.384 1.00 1.43 H new ATOM 0 HG SER A 108 4.377 7.736 -2.672 1.00 71.35 H new ATOM 1762 N SER A 109 3.970 4.250 -6.322 1.00 13.41 N ATOM 1763 CA SER A 109 4.481 3.099 -7.041 1.00 23.51 C ATOM 1764 C SER A 109 3.802 2.936 -8.401 1.00 44.14 C ATOM 1765 O SER A 109 4.471 2.745 -9.420 1.00 1.24 O ATOM 1766 CB SER A 109 4.295 1.841 -6.195 1.00 40.24 C ATOM 1767 OG SER A 109 2.962 1.733 -5.722 1.00 52.32 O ATOM 0 H SER A 109 3.216 4.042 -5.668 1.00 13.41 H new ATOM 0 HA SER A 109 5.543 3.257 -7.226 1.00 23.51 H new ATOM 0 HB2 SER A 109 4.546 0.961 -6.787 1.00 40.24 H new ATOM 0 HB3 SER A 109 4.983 1.863 -5.350 1.00 40.24 H new ATOM 0 HG SER A 109 2.819 0.838 -5.349 1.00 52.32 H new ATOM 1773 N SER A 110 2.477 3.038 -8.419 1.00 21.42 N ATOM 1774 CA SER A 110 1.713 2.778 -9.629 1.00 35.34 C ATOM 1775 C SER A 110 1.994 3.801 -10.732 1.00 33.32 C ATOM 1776 O SER A 110 2.041 3.435 -11.905 1.00 4.41 O ATOM 1777 CB SER A 110 0.224 2.731 -9.305 1.00 14.41 C ATOM 1778 OG SER A 110 -0.148 3.823 -8.487 1.00 44.32 O ATOM 0 H SER A 110 1.913 3.298 -7.610 1.00 21.42 H new ATOM 0 HA SER A 110 2.031 1.809 -10.013 1.00 35.34 H new ATOM 0 HB2 SER A 110 -0.354 2.750 -10.229 1.00 14.41 H new ATOM 0 HB3 SER A 110 -0.013 1.795 -8.799 1.00 14.41 H new ATOM 0 HG SER A 110 -0.122 3.551 -7.546 1.00 44.32 H new ATOM 1784 N PHE A 111 2.201 5.067 -10.356 1.00 64.33 N ATOM 1785 CA PHE A 111 2.450 6.134 -11.333 1.00 24.22 C ATOM 1786 C PHE A 111 3.620 5.776 -12.247 1.00 21.22 C ATOM 1787 O PHE A 111 3.576 6.024 -13.448 1.00 41.42 O ATOM 1788 CB PHE A 111 2.722 7.472 -10.620 1.00 43.51 C ATOM 1789 CG PHE A 111 3.055 8.623 -11.541 1.00 1.43 C ATOM 1790 CD1 PHE A 111 4.363 8.841 -11.950 1.00 4.32 C ATOM 1791 CD2 PHE A 111 2.067 9.495 -11.989 1.00 64.02 C ATOM 1792 CE1 PHE A 111 4.680 9.893 -12.787 1.00 1.14 C ATOM 1793 CE2 PHE A 111 2.383 10.548 -12.826 1.00 4.34 C ATOM 1794 CZ PHE A 111 3.688 10.747 -13.225 1.00 62.03 C ATOM 0 H PHE A 111 2.201 5.378 -9.385 1.00 64.33 H new ATOM 0 HA PHE A 111 1.555 6.241 -11.946 1.00 24.22 H new ATOM 0 HB2 PHE A 111 1.845 7.739 -10.030 1.00 43.51 H new ATOM 0 HB3 PHE A 111 3.546 7.334 -9.920 1.00 43.51 H new ATOM 0 HD1 PHE A 111 5.145 8.178 -11.609 1.00 4.32 H new ATOM 0 HD2 PHE A 111 1.043 9.347 -11.679 1.00 64.02 H new ATOM 0 HE1 PHE A 111 5.703 10.047 -13.098 1.00 1.14 H new ATOM 0 HE2 PHE A 111 1.607 11.216 -13.168 1.00 4.34 H new ATOM 0 HZ PHE A 111 3.934 11.570 -13.880 1.00 62.03 H new ATOM 1804 N ASP A 112 4.659 5.178 -11.681 1.00 32.12 N ATOM 1805 CA ASP A 112 5.837 4.823 -12.462 1.00 21.03 C ATOM 1806 C ASP A 112 5.628 3.493 -13.176 1.00 34.32 C ATOM 1807 O ASP A 112 6.112 3.294 -14.291 1.00 60.14 O ATOM 1808 CB ASP A 112 7.081 4.758 -11.578 1.00 64.35 C ATOM 1809 CG ASP A 112 8.345 4.528 -12.387 1.00 41.04 C ATOM 1810 OD1 ASP A 112 8.740 5.435 -13.155 1.00 24.04 O ATOM 1811 OD2 ASP A 112 8.958 3.454 -12.250 1.00 12.44 O ATOM 0 H ASP A 112 4.711 4.930 -10.693 1.00 32.12 H new ATOM 0 HA ASP A 112 5.989 5.601 -13.210 1.00 21.03 H new ATOM 0 HB2 ASP A 112 7.175 5.687 -11.016 1.00 64.35 H new ATOM 0 HB3 ASP A 112 6.966 3.955 -10.850 1.00 64.35 H new ATOM 1816 N ALA A 113 4.891 2.592 -12.536 1.00 13.32 N ATOM 1817 CA ALA A 113 4.617 1.280 -13.107 1.00 41.54 C ATOM 1818 C ALA A 113 3.780 1.382 -14.379 1.00 12.44 C ATOM 1819 O ALA A 113 4.088 0.738 -15.383 1.00 72.22 O ATOM 1820 CB ALA A 113 3.915 0.397 -12.091 1.00 72.33 C ATOM 0 H ALA A 113 4.472 2.748 -11.619 1.00 13.32 H new ATOM 0 HA ALA A 113 5.574 0.831 -13.372 1.00 41.54 H new ATOM 0 HB1 ALA A 113 3.717 -0.580 -12.533 1.00 72.33 H new ATOM 0 HB2 ALA A 113 4.550 0.276 -11.213 1.00 72.33 H new ATOM 0 HB3 ALA A 113 2.973 0.859 -11.796 1.00 72.33 H new ATOM 1826 N LEU A 114 2.729 2.198 -14.345 1.00 5.50 N ATOM 1827 CA LEU A 114 1.836 2.322 -15.494 1.00 43.44 C ATOM 1828 C LEU A 114 2.538 2.982 -16.679 1.00 72.23 C ATOM 1829 O LEU A 114 2.124 2.807 -17.822 1.00 44.33 O ATOM 1830 CB LEU A 114 0.539 3.062 -15.120 1.00 32.41 C ATOM 1831 CG LEU A 114 0.693 4.374 -14.343 1.00 24.44 C ATOM 1832 CD1 LEU A 114 1.110 5.512 -15.255 1.00 43.34 C ATOM 1833 CD2 LEU A 114 -0.601 4.716 -13.624 1.00 51.20 C ATOM 0 H LEU A 114 2.477 2.777 -13.544 1.00 5.50 H new ATOM 0 HA LEU A 114 1.558 1.314 -15.803 1.00 43.44 H new ATOM 0 HB2 LEU A 114 -0.009 3.273 -16.038 1.00 32.41 H new ATOM 0 HB3 LEU A 114 -0.079 2.387 -14.528 1.00 32.41 H new ATOM 0 HG LEU A 114 1.482 4.235 -13.604 1.00 24.44 H new ATOM 0 HD11 LEU A 114 1.210 6.428 -14.672 1.00 43.34 H new ATOM 0 HD12 LEU A 114 2.065 5.273 -15.722 1.00 43.34 H new ATOM 0 HD13 LEU A 114 0.354 5.655 -16.028 1.00 43.34 H new ATOM 0 HD21 LEU A 114 -0.477 5.650 -13.076 1.00 51.20 H new ATOM 0 HD22 LEU A 114 -1.404 4.827 -14.353 1.00 51.20 H new ATOM 0 HD23 LEU A 114 -0.852 3.917 -12.926 1.00 51.20 H new ATOM 1845 N LYS A 115 3.620 3.709 -16.401 1.00 60.44 N ATOM 1846 CA LYS A 115 4.436 4.329 -17.447 1.00 51.55 C ATOM 1847 C LYS A 115 4.978 3.275 -18.409 1.00 32.11 C ATOM 1848 O LYS A 115 5.242 3.555 -19.576 1.00 2.42 O ATOM 1849 CB LYS A 115 5.602 5.099 -16.820 1.00 32.31 C ATOM 1850 CG LYS A 115 5.193 6.388 -16.125 1.00 74.34 C ATOM 1851 CD LYS A 115 6.297 6.942 -15.228 1.00 61.31 C ATOM 1852 CE LYS A 115 7.632 7.087 -15.948 1.00 12.44 C ATOM 1853 NZ LYS A 115 8.495 5.882 -15.796 1.00 2.21 N ATOM 0 H LYS A 115 3.954 3.884 -15.453 1.00 60.44 H new ATOM 0 HA LYS A 115 3.804 5.020 -18.005 1.00 51.55 H new ATOM 0 HB2 LYS A 115 6.104 4.454 -16.099 1.00 32.31 H new ATOM 0 HB3 LYS A 115 6.329 5.333 -17.598 1.00 32.31 H new ATOM 0 HG2 LYS A 115 4.930 7.134 -16.875 1.00 74.34 H new ATOM 0 HG3 LYS A 115 4.300 6.207 -15.527 1.00 74.34 H new ATOM 0 HD2 LYS A 115 5.991 7.915 -14.843 1.00 61.31 H new ATOM 0 HD3 LYS A 115 6.424 6.284 -14.368 1.00 61.31 H new ATOM 0 HE2 LYS A 115 7.452 7.270 -17.007 1.00 12.44 H new ATOM 0 HE3 LYS A 115 8.158 7.959 -15.559 1.00 12.44 H new ATOM 0 HZ1 LYS A 115 9.494 6.156 -15.893 1.00 2.21 H new ATOM 0 HZ2 LYS A 115 8.341 5.461 -14.858 1.00 2.21 H new ATOM 0 HZ3 LYS A 115 8.254 5.187 -16.531 1.00 2.21 H new ATOM 1867 N LYS A 116 5.130 2.060 -17.903 1.00 5.43 N ATOM 1868 CA LYS A 116 5.626 0.945 -18.694 1.00 34.51 C ATOM 1869 C LYS A 116 4.520 0.396 -19.598 1.00 50.43 C ATOM 1870 O LYS A 116 4.787 -0.132 -20.675 1.00 32.32 O ATOM 1871 CB LYS A 116 6.177 -0.135 -17.747 1.00 25.53 C ATOM 1872 CG LYS A 116 6.636 -1.421 -18.423 1.00 73.20 C ATOM 1873 CD LYS A 116 5.541 -2.480 -18.437 1.00 52.52 C ATOM 1874 CE LYS A 116 5.026 -2.768 -17.034 1.00 13.33 C ATOM 1875 NZ LYS A 116 4.090 -3.921 -17.009 1.00 34.35 N ATOM 0 H LYS A 116 4.914 1.820 -16.935 1.00 5.43 H new ATOM 0 HA LYS A 116 6.433 1.281 -19.345 1.00 34.51 H new ATOM 0 HB2 LYS A 116 7.017 0.285 -17.193 1.00 25.53 H new ATOM 0 HB3 LYS A 116 5.406 -0.383 -17.017 1.00 25.53 H new ATOM 0 HG2 LYS A 116 6.943 -1.203 -19.446 1.00 73.20 H new ATOM 0 HG3 LYS A 116 7.511 -1.811 -17.904 1.00 73.20 H new ATOM 0 HD2 LYS A 116 4.717 -2.144 -19.067 1.00 52.52 H new ATOM 0 HD3 LYS A 116 5.927 -3.398 -18.880 1.00 52.52 H new ATOM 0 HE2 LYS A 116 5.869 -2.971 -16.373 1.00 13.33 H new ATOM 0 HE3 LYS A 116 4.522 -1.884 -16.645 1.00 13.33 H new ATOM 0 HZ1 LYS A 116 3.764 -4.082 -16.035 1.00 34.35 H new ATOM 0 HZ2 LYS A 116 3.272 -3.718 -17.619 1.00 34.35 H new ATOM 0 HZ3 LYS A 116 4.578 -4.772 -17.356 1.00 34.35 H new ATOM 1889 N SER A 117 3.279 0.551 -19.166 1.00 12.54 N ATOM 1890 CA SER A 117 2.141 0.045 -19.917 1.00 2.12 C ATOM 1891 C SER A 117 1.659 1.074 -20.940 1.00 43.54 C ATOM 1892 O SER A 117 1.357 0.732 -22.083 1.00 42.42 O ATOM 1893 CB SER A 117 1.015 -0.325 -18.954 1.00 72.41 C ATOM 1894 OG SER A 117 1.475 -1.242 -17.974 1.00 52.34 O ATOM 0 H SER A 117 3.033 1.025 -18.297 1.00 12.54 H new ATOM 0 HA SER A 117 2.450 -0.846 -20.464 1.00 2.12 H new ATOM 0 HB2 SER A 117 0.635 0.574 -18.468 1.00 72.41 H new ATOM 0 HB3 SER A 117 0.185 -0.763 -19.508 1.00 72.41 H new ATOM 0 HG SER A 117 1.224 -0.922 -17.083 1.00 52.34 H new ATOM 1900 N LEU A 118 1.608 2.338 -20.535 1.00 42.03 N ATOM 1901 CA LEU A 118 1.197 3.413 -21.433 1.00 71.03 C ATOM 1902 C LEU A 118 2.402 4.002 -22.165 1.00 31.33 C ATOM 1903 O LEU A 118 2.353 5.132 -22.653 1.00 20.03 O ATOM 1904 CB LEU A 118 0.427 4.495 -20.665 1.00 42.13 C ATOM 1905 CG LEU A 118 1.061 5.024 -19.375 1.00 31.54 C ATOM 1906 CD1 LEU A 118 2.202 5.991 -19.658 1.00 42.00 C ATOM 1907 CD2 LEU A 118 -0.003 5.689 -18.520 1.00 22.12 C ATOM 0 H LEU A 118 1.846 2.644 -19.592 1.00 42.03 H new ATOM 0 HA LEU A 118 0.527 2.995 -22.184 1.00 71.03 H new ATOM 0 HB2 LEU A 118 0.272 5.340 -21.336 1.00 42.13 H new ATOM 0 HB3 LEU A 118 -0.558 4.098 -20.419 1.00 42.13 H new ATOM 0 HG LEU A 118 1.485 4.178 -18.834 1.00 31.54 H new ATOM 0 HD11 LEU A 118 2.623 6.342 -18.716 1.00 42.00 H new ATOM 0 HD12 LEU A 118 2.975 5.483 -20.234 1.00 42.00 H new ATOM 0 HD13 LEU A 118 1.826 6.841 -20.227 1.00 42.00 H new ATOM 0 HD21 LEU A 118 0.450 6.065 -17.603 1.00 22.12 H new ATOM 0 HD22 LEU A 118 -0.447 6.518 -19.071 1.00 22.12 H new ATOM 0 HD23 LEU A 118 -0.777 4.962 -18.272 1.00 22.12 H new ATOM 1919 N VAL A 119 3.471 3.211 -22.252 1.00 42.52 N ATOM 1920 CA VAL A 119 4.698 3.634 -22.914 1.00 51.31 C ATOM 1921 C VAL A 119 4.401 4.178 -24.313 1.00 0.22 C ATOM 1922 O VAL A 119 3.712 3.542 -25.118 1.00 0.51 O ATOM 1923 CB VAL A 119 5.732 2.482 -22.990 1.00 3.52 C ATOM 1924 CG1 VAL A 119 5.167 1.277 -23.731 1.00 12.45 C ATOM 1925 CG2 VAL A 119 7.029 2.959 -23.633 1.00 62.21 C ATOM 0 H VAL A 119 3.508 2.267 -21.868 1.00 42.52 H new ATOM 0 HA VAL A 119 5.133 4.433 -22.314 1.00 51.31 H new ATOM 0 HB VAL A 119 5.954 2.167 -21.970 1.00 3.52 H new ATOM 0 HG11 VAL A 119 5.917 0.487 -23.767 1.00 12.45 H new ATOM 0 HG12 VAL A 119 4.281 0.913 -23.211 1.00 12.45 H new ATOM 0 HG13 VAL A 119 4.898 1.568 -24.746 1.00 12.45 H new ATOM 0 HG21 VAL A 119 7.739 2.133 -23.675 1.00 62.21 H new ATOM 0 HG22 VAL A 119 6.825 3.314 -24.643 1.00 62.21 H new ATOM 0 HG23 VAL A 119 7.451 3.771 -23.041 1.00 62.21 H new ATOM 1935 N GLY A 120 4.899 5.371 -24.577 1.00 41.12 N ATOM 1936 CA GLY A 120 4.585 6.062 -25.808 1.00 61.00 C ATOM 1937 C GLY A 120 4.137 7.478 -25.529 1.00 5.13 C ATOM 1938 O GLY A 120 4.328 8.377 -26.350 1.00 24.15 O ATOM 0 H GLY A 120 5.524 5.881 -23.952 1.00 41.12 H new ATOM 0 HA2 GLY A 120 5.461 6.074 -26.457 1.00 61.00 H new ATOM 0 HA3 GLY A 120 3.800 5.526 -26.341 1.00 61.00 H new ATOM 1942 N VAL A 121 3.546 7.666 -24.354 1.00 41.54 N ATOM 1943 CA VAL A 121 3.151 8.985 -23.875 1.00 14.01 C ATOM 1944 C VAL A 121 4.360 9.919 -23.806 1.00 64.52 C ATOM 1945 O VAL A 121 5.454 9.502 -23.423 1.00 44.20 O ATOM 1946 CB VAL A 121 2.483 8.879 -22.484 1.00 22.11 C ATOM 1947 CG1 VAL A 121 2.276 10.248 -21.861 1.00 34.20 C ATOM 1948 CG2 VAL A 121 1.156 8.141 -22.590 1.00 61.25 C ATOM 0 H VAL A 121 3.327 6.908 -23.707 1.00 41.54 H new ATOM 0 HA VAL A 121 2.430 9.400 -24.580 1.00 14.01 H new ATOM 0 HB VAL A 121 3.153 8.315 -21.835 1.00 22.11 H new ATOM 0 HG11 VAL A 121 1.805 10.136 -20.885 1.00 34.20 H new ATOM 0 HG12 VAL A 121 3.240 10.744 -21.744 1.00 34.20 H new ATOM 0 HG13 VAL A 121 1.635 10.848 -22.507 1.00 34.20 H new ATOM 0 HG21 VAL A 121 0.697 8.074 -21.604 1.00 61.25 H new ATOM 0 HG22 VAL A 121 0.491 8.682 -23.263 1.00 61.25 H new ATOM 0 HG23 VAL A 121 1.328 7.137 -22.979 1.00 61.25 H new ATOM 1958 N GLN A 122 4.160 11.176 -24.193 1.00 54.14 N ATOM 1959 CA GLN A 122 5.245 12.150 -24.233 1.00 2.52 C ATOM 1960 C GLN A 122 5.620 12.611 -22.826 1.00 74.32 C ATOM 1961 O GLN A 122 6.751 12.423 -22.381 1.00 15.22 O ATOM 1962 CB GLN A 122 4.851 13.358 -25.091 1.00 70.45 C ATOM 1963 CG GLN A 122 4.483 12.996 -26.521 1.00 53.24 C ATOM 1964 CD GLN A 122 4.251 14.214 -27.397 1.00 22.23 C ATOM 1965 OE1 GLN A 122 3.821 15.271 -26.929 1.00 61.41 O ATOM 1966 NE2 GLN A 122 4.536 14.075 -28.682 1.00 13.34 N ATOM 0 H GLN A 122 3.254 11.544 -24.484 1.00 54.14 H new ATOM 0 HA GLN A 122 6.113 11.665 -24.680 1.00 2.52 H new ATOM 0 HB2 GLN A 122 4.006 13.864 -24.624 1.00 70.45 H new ATOM 0 HB3 GLN A 122 5.678 14.067 -25.106 1.00 70.45 H new ATOM 0 HG2 GLN A 122 5.279 12.390 -26.953 1.00 53.24 H new ATOM 0 HG3 GLN A 122 3.582 12.382 -26.515 1.00 53.24 H new ATOM 0 HE21 GLN A 122 4.890 13.185 -29.032 1.00 13.34 H new ATOM 0 HE22 GLN A 122 4.402 14.858 -29.322 1.00 13.34 H new ATOM 1975 N LYS A 123 4.665 13.213 -22.131 1.00 60.02 N ATOM 1976 CA LYS A 123 4.904 13.726 -20.793 1.00 42.34 C ATOM 1977 C LYS A 123 3.938 13.123 -19.784 1.00 35.41 C ATOM 1978 O LYS A 123 2.751 12.948 -20.063 1.00 14.13 O ATOM 1979 CB LYS A 123 4.780 15.253 -20.781 1.00 43.54 C ATOM 1980 CG LYS A 123 4.453 15.829 -19.411 1.00 11.25 C ATOM 1981 CD LYS A 123 4.343 17.338 -19.454 1.00 41.54 C ATOM 1982 CE LYS A 123 5.712 17.987 -19.541 1.00 54.24 C ATOM 1983 NZ LYS A 123 6.446 17.914 -18.250 1.00 62.31 N ATOM 0 H LYS A 123 3.715 13.357 -22.474 1.00 60.02 H new ATOM 0 HA LYS A 123 5.916 13.442 -20.506 1.00 42.34 H new ATOM 0 HB2 LYS A 123 5.715 15.687 -21.134 1.00 43.54 H new ATOM 0 HB3 LYS A 123 4.004 15.551 -21.486 1.00 43.54 H new ATOM 0 HG2 LYS A 123 3.515 15.405 -19.052 1.00 11.25 H new ATOM 0 HG3 LYS A 123 5.227 15.540 -18.700 1.00 11.25 H new ATOM 0 HD2 LYS A 123 3.741 17.637 -20.312 1.00 41.54 H new ATOM 0 HD3 LYS A 123 3.826 17.693 -18.563 1.00 41.54 H new ATOM 0 HE2 LYS A 123 6.297 17.496 -20.319 1.00 54.24 H new ATOM 0 HE3 LYS A 123 5.601 19.030 -19.836 1.00 54.24 H new ATOM 0 HZ1 LYS A 123 7.269 18.550 -18.282 1.00 62.31 H new ATOM 0 HZ2 LYS A 123 5.815 18.203 -17.475 1.00 62.31 H new ATOM 0 HZ3 LYS A 123 6.768 16.938 -18.089 1.00 62.31 H new ATOM 1997 N TYR A 124 4.468 12.810 -18.613 1.00 42.23 N ATOM 1998 CA TYR A 124 3.660 12.381 -17.486 1.00 41.44 C ATOM 1999 C TYR A 124 3.726 13.434 -16.384 1.00 24.00 C ATOM 2000 O TYR A 124 4.807 13.796 -15.922 1.00 14.02 O ATOM 2001 CB TYR A 124 4.127 11.012 -16.969 1.00 11.14 C ATOM 2002 CG TYR A 124 5.630 10.821 -16.968 1.00 10.54 C ATOM 2003 CD1 TYR A 124 6.406 11.185 -15.873 1.00 0.03 C ATOM 2004 CD2 TYR A 124 6.271 10.269 -18.069 1.00 20.22 C ATOM 2005 CE1 TYR A 124 7.776 11.005 -15.879 1.00 1.34 C ATOM 2006 CE2 TYR A 124 7.637 10.086 -18.083 1.00 72.41 C ATOM 2007 CZ TYR A 124 8.386 10.456 -16.987 1.00 32.33 C ATOM 2008 OH TYR A 124 9.748 10.269 -17.000 1.00 74.44 O ATOM 0 H TYR A 124 5.469 12.846 -18.418 1.00 42.23 H new ATOM 0 HA TYR A 124 2.625 12.273 -17.810 1.00 41.44 H new ATOM 0 HB2 TYR A 124 3.755 10.875 -15.954 1.00 11.14 H new ATOM 0 HB3 TYR A 124 3.675 10.232 -17.582 1.00 11.14 H new ATOM 0 HD1 TYR A 124 5.930 11.615 -15.004 1.00 0.03 H new ATOM 0 HD2 TYR A 124 5.688 9.978 -18.930 1.00 20.22 H new ATOM 0 HE1 TYR A 124 8.365 11.293 -15.021 1.00 1.34 H new ATOM 0 HE2 TYR A 124 8.118 9.655 -18.949 1.00 72.41 H new ATOM 0 HH TYR A 124 10.015 9.871 -17.855 1.00 74.44 H new ATOM 2018 N ILE A 125 2.572 13.950 -15.998 1.00 61.34 N ATOM 2019 CA ILE A 125 2.499 14.994 -14.988 1.00 14.23 C ATOM 2020 C ILE A 125 1.405 14.674 -13.973 1.00 22.41 C ATOM 2021 O ILE A 125 0.337 14.182 -14.335 1.00 21.03 O ATOM 2022 CB ILE A 125 2.236 16.379 -15.634 1.00 43.13 C ATOM 2023 CG1 ILE A 125 2.157 17.470 -14.559 1.00 43.45 C ATOM 2024 CG2 ILE A 125 0.964 16.350 -16.473 1.00 71.32 C ATOM 2025 CD1 ILE A 125 1.985 18.866 -15.119 1.00 33.32 C ATOM 0 H ILE A 125 1.667 13.662 -16.371 1.00 61.34 H new ATOM 0 HA ILE A 125 3.460 15.033 -14.475 1.00 14.23 H new ATOM 0 HB ILE A 125 3.071 16.613 -16.295 1.00 43.13 H new ATOM 0 HG12 ILE A 125 1.323 17.251 -13.892 1.00 43.45 H new ATOM 0 HG13 ILE A 125 3.064 17.439 -13.956 1.00 43.45 H new ATOM 0 HG21 ILE A 125 0.798 17.332 -16.917 1.00 71.32 H new ATOM 0 HG22 ILE A 125 1.067 15.607 -17.264 1.00 71.32 H new ATOM 0 HG23 ILE A 125 0.116 16.091 -15.839 1.00 71.32 H new ATOM 0 HD11 ILE A 125 1.937 19.583 -14.300 1.00 33.32 H new ATOM 0 HD12 ILE A 125 2.831 19.106 -15.763 1.00 33.32 H new ATOM 0 HD13 ILE A 125 1.063 18.915 -15.698 1.00 33.32 H new ATOM 2037 N GLN A 126 1.685 14.917 -12.703 1.00 44.35 N ATOM 2038 CA GLN A 126 0.689 14.727 -11.662 1.00 52.52 C ATOM 2039 C GLN A 126 0.177 16.066 -11.161 1.00 42.22 C ATOM 2040 O GLN A 126 0.952 16.972 -10.848 1.00 44.42 O ATOM 2041 CB GLN A 126 1.250 13.885 -10.505 1.00 21.43 C ATOM 2042 CG GLN A 126 0.469 13.999 -9.194 1.00 3.42 C ATOM 2043 CD GLN A 126 1.102 14.968 -8.219 1.00 41.25 C ATOM 2044 OE1 GLN A 126 0.302 15.513 -7.319 1.00 21.14 O flip ATOM 2045 NE2 GLN A 126 2.309 15.198 -8.252 1.00 31.42 N flip ATOM 0 H GLN A 126 2.591 15.245 -12.369 1.00 44.35 H new ATOM 0 HA GLN A 126 -0.150 14.180 -12.093 1.00 52.52 H new ATOM 0 HB2 GLN A 126 1.269 12.839 -10.811 1.00 21.43 H new ATOM 0 HB3 GLN A 126 2.283 14.183 -10.324 1.00 21.43 H new ATOM 0 HG2 GLN A 126 -0.550 14.321 -9.410 1.00 3.42 H new ATOM 0 HG3 GLN A 126 0.401 13.015 -8.730 1.00 3.42 H new ATOM 0 HE21 GLN A 126 2.893 14.757 -8.963 1.00 31.42 H new ATOM 0 HE22 GLN A 126 2.727 15.829 -7.569 1.00 31.42 H new ATOM 2054 N ALA A 127 -1.134 16.173 -11.109 1.00 21.10 N ATOM 2055 CA ALA A 127 -1.799 17.343 -10.572 1.00 23.24 C ATOM 2056 C ALA A 127 -2.285 17.024 -9.170 1.00 3.22 C ATOM 2057 O ALA A 127 -2.800 15.932 -8.923 1.00 63.33 O ATOM 2058 CB ALA A 127 -2.956 17.759 -11.466 1.00 54.30 C ATOM 0 H ALA A 127 -1.772 15.448 -11.439 1.00 21.10 H new ATOM 0 HA ALA A 127 -1.100 18.179 -10.533 1.00 23.24 H new ATOM 0 HB1 ALA A 127 -3.442 18.639 -11.046 1.00 54.30 H new ATOM 0 HB2 ALA A 127 -2.580 17.993 -12.462 1.00 54.30 H new ATOM 0 HB3 ALA A 127 -3.676 16.943 -11.532 1.00 54.30 H new ATOM 2064 N THR A 128 -2.109 17.951 -8.246 1.00 14.41 N ATOM 2065 CA THR A 128 -2.413 17.667 -6.858 1.00 71.20 C ATOM 2066 C THR A 128 -3.898 17.874 -6.559 1.00 73.44 C ATOM 2067 O THR A 128 -4.449 17.234 -5.669 1.00 33.40 O ATOM 2068 CB THR A 128 -1.563 18.525 -5.903 1.00 2.32 C ATOM 2069 OG1 THR A 128 -1.994 19.891 -5.940 1.00 41.32 O ATOM 2070 CG2 THR A 128 -0.088 18.461 -6.271 1.00 61.03 C ATOM 0 H THR A 128 -1.762 18.893 -8.428 1.00 14.41 H new ATOM 0 HA THR A 128 -2.166 16.619 -6.690 1.00 71.20 H new ATOM 0 HB THR A 128 -1.695 18.124 -4.898 1.00 2.32 H new ATOM 0 HG1 THR A 128 -1.446 20.424 -5.327 1.00 41.32 H new ATOM 0 HG21 THR A 128 0.487 19.077 -5.579 1.00 61.03 H new ATOM 0 HG22 THR A 128 0.257 17.429 -6.211 1.00 61.03 H new ATOM 0 HG23 THR A 128 0.050 18.832 -7.287 1.00 61.03 H new ATOM 2078 N ASP A 129 -4.540 18.765 -7.307 1.00 42.40 N ATOM 2079 CA ASP A 129 -5.966 19.023 -7.123 1.00 14.22 C ATOM 2080 C ASP A 129 -6.552 19.696 -8.358 1.00 30.53 C ATOM 2081 O ASP A 129 -5.876 19.835 -9.380 1.00 12.33 O ATOM 2082 CB ASP A 129 -6.224 19.887 -5.880 1.00 25.15 C ATOM 2083 CG ASP A 129 -5.868 21.347 -6.081 1.00 34.24 C ATOM 2084 OD1 ASP A 129 -4.674 21.691 -5.984 1.00 54.14 O ATOM 2085 OD2 ASP A 129 -6.789 22.157 -6.325 1.00 74.22 O ATOM 0 H ASP A 129 -4.100 19.318 -8.042 1.00 42.40 H new ATOM 0 HA ASP A 129 -6.458 18.062 -6.975 1.00 14.22 H new ATOM 0 HB2 ASP A 129 -7.276 19.811 -5.605 1.00 25.15 H new ATOM 0 HB3 ASP A 129 -5.647 19.491 -5.044 1.00 25.15 H new ATOM 2090 N LEU A 130 -7.811 20.115 -8.252 1.00 10.01 N ATOM 2091 CA LEU A 130 -8.540 20.716 -9.366 1.00 15.22 C ATOM 2092 C LEU A 130 -7.858 21.990 -9.868 1.00 53.34 C ATOM 2093 O LEU A 130 -7.915 22.305 -11.053 1.00 33.23 O ATOM 2094 CB LEU A 130 -9.979 21.031 -8.939 1.00 32.12 C ATOM 2095 CG LEU A 130 -10.866 21.648 -10.023 1.00 43.11 C ATOM 2096 CD1 LEU A 130 -11.047 20.683 -11.184 1.00 33.12 C ATOM 2097 CD2 LEU A 130 -12.216 22.048 -9.447 1.00 24.01 C ATOM 0 H LEU A 130 -8.354 20.047 -7.391 1.00 10.01 H new ATOM 0 HA LEU A 130 -8.548 19.996 -10.185 1.00 15.22 H new ATOM 0 HB2 LEU A 130 -10.447 20.110 -8.592 1.00 32.12 H new ATOM 0 HB3 LEU A 130 -9.947 21.712 -8.089 1.00 32.12 H new ATOM 0 HG LEU A 130 -10.372 22.545 -10.397 1.00 43.11 H new ATOM 0 HD11 LEU A 130 -11.681 21.142 -11.943 1.00 33.12 H new ATOM 0 HD12 LEU A 130 -10.075 20.448 -11.617 1.00 33.12 H new ATOM 0 HD13 LEU A 130 -11.516 19.766 -10.826 1.00 33.12 H new ATOM 0 HD21 LEU A 130 -12.832 22.485 -10.233 1.00 24.01 H new ATOM 0 HD22 LEU A 130 -12.714 21.167 -9.042 1.00 24.01 H new ATOM 0 HD23 LEU A 130 -12.070 22.779 -8.652 1.00 24.01 H new ATOM 2109 N SER A 131 -7.198 22.708 -8.972 1.00 64.23 N ATOM 2110 CA SER A 131 -6.556 23.970 -9.327 1.00 42.31 C ATOM 2111 C SER A 131 -5.324 23.735 -10.206 1.00 71.20 C ATOM 2112 O SER A 131 -4.866 24.639 -10.906 1.00 51.23 O ATOM 2113 CB SER A 131 -6.164 24.717 -8.053 1.00 30.12 C ATOM 2114 OG SER A 131 -7.219 24.674 -7.103 1.00 63.22 O ATOM 0 H SER A 131 -7.091 22.441 -7.993 1.00 64.23 H new ATOM 0 HA SER A 131 -7.262 24.572 -9.899 1.00 42.31 H new ATOM 0 HB2 SER A 131 -5.265 24.272 -7.626 1.00 30.12 H new ATOM 0 HB3 SER A 131 -5.925 25.753 -8.292 1.00 30.12 H new ATOM 0 HG SER A 131 -7.154 23.848 -6.579 1.00 63.22 H new ATOM 2120 N GLU A 132 -4.802 22.513 -10.174 1.00 64.31 N ATOM 2121 CA GLU A 132 -3.633 22.157 -10.968 1.00 60.24 C ATOM 2122 C GLU A 132 -4.041 21.379 -12.214 1.00 44.31 C ATOM 2123 O GLU A 132 -3.238 21.171 -13.123 1.00 22.43 O ATOM 2124 CB GLU A 132 -2.656 21.323 -10.137 1.00 31.24 C ATOM 2125 CG GLU A 132 -2.033 22.080 -8.976 1.00 50.44 C ATOM 2126 CD GLU A 132 -1.101 23.187 -9.431 1.00 4.33 C ATOM 2127 OE1 GLU A 132 -1.570 24.330 -9.618 1.00 34.13 O ATOM 2128 OE2 GLU A 132 0.109 22.920 -9.591 1.00 72.24 O ATOM 0 H GLU A 132 -5.172 21.751 -9.605 1.00 64.31 H new ATOM 0 HA GLU A 132 -3.142 23.080 -11.276 1.00 60.24 H new ATOM 0 HB2 GLU A 132 -3.179 20.449 -9.749 1.00 31.24 H new ATOM 0 HB3 GLU A 132 -1.862 20.957 -10.787 1.00 31.24 H new ATOM 0 HG2 GLU A 132 -2.824 22.507 -8.360 1.00 50.44 H new ATOM 0 HG3 GLU A 132 -1.481 21.382 -8.347 1.00 50.44 H new ATOM 2135 N ALA A 133 -5.295 20.950 -12.256 1.00 51.03 N ATOM 2136 CA ALA A 133 -5.793 20.178 -13.382 1.00 63.31 C ATOM 2137 C ALA A 133 -7.055 20.802 -13.949 1.00 51.45 C ATOM 2138 O ALA A 133 -8.138 20.667 -13.387 1.00 2.55 O ATOM 2139 CB ALA A 133 -6.049 18.736 -12.981 1.00 22.44 C ATOM 0 H ALA A 133 -5.984 21.124 -11.524 1.00 51.03 H new ATOM 0 HA ALA A 133 -5.027 20.186 -14.157 1.00 63.31 H new ATOM 0 HB1 ALA A 133 -6.421 18.180 -13.841 1.00 22.44 H new ATOM 0 HB2 ALA A 133 -5.120 18.285 -12.631 1.00 22.44 H new ATOM 0 HB3 ALA A 133 -6.790 18.707 -12.182 1.00 22.44 H new ATOM 2145 N SER A 134 -6.896 21.489 -15.061 1.00 61.13 N ATOM 2146 CA SER A 134 -7.999 22.151 -15.727 1.00 24.11 C ATOM 2147 C SER A 134 -7.566 22.496 -17.141 1.00 51.25 C ATOM 2148 O SER A 134 -6.376 22.408 -17.446 1.00 1.20 O ATOM 2149 CB SER A 134 -8.387 23.419 -14.961 1.00 5.45 C ATOM 2150 OG SER A 134 -9.549 24.015 -15.504 1.00 41.54 O ATOM 0 H SER A 134 -5.997 21.604 -15.529 1.00 61.13 H new ATOM 0 HA SER A 134 -8.869 21.495 -15.759 1.00 24.11 H new ATOM 0 HB2 SER A 134 -8.558 23.175 -13.913 1.00 5.45 H new ATOM 0 HB3 SER A 134 -7.562 24.131 -14.992 1.00 5.45 H new ATOM 0 HG SER A 134 -9.773 24.821 -14.993 1.00 41.54 H new ATOM 2156 N ARG A 135 -8.508 22.899 -17.995 1.00 20.23 N ATOM 2157 CA ARG A 135 -8.189 23.258 -19.382 1.00 25.32 C ATOM 2158 C ARG A 135 -7.089 24.320 -19.412 1.00 35.21 C ATOM 2159 O ARG A 135 -6.278 24.377 -20.335 1.00 72.11 O ATOM 2160 CB ARG A 135 -9.435 23.783 -20.126 1.00 74.34 C ATOM 2161 CG ARG A 135 -9.859 25.197 -19.726 1.00 5.42 C ATOM 2162 CD ARG A 135 -10.531 25.231 -18.363 1.00 11.01 C ATOM 2163 NE ARG A 135 -10.493 26.564 -17.759 1.00 62.44 N ATOM 2164 CZ ARG A 135 -11.139 26.895 -16.639 1.00 23.30 C ATOM 2165 NH1 ARG A 135 -11.952 26.025 -16.054 1.00 0.12 N ATOM 2166 NH2 ARG A 135 -10.994 28.109 -16.119 1.00 71.02 N ATOM 0 H ARG A 135 -9.495 22.986 -17.754 1.00 20.23 H new ATOM 0 HA ARG A 135 -7.841 22.357 -19.887 1.00 25.32 H new ATOM 0 HB2 ARG A 135 -9.238 23.765 -21.198 1.00 74.34 H new ATOM 0 HB3 ARG A 135 -10.266 23.102 -19.944 1.00 74.34 H new ATOM 0 HG2 ARG A 135 -8.984 25.847 -19.714 1.00 5.42 H new ATOM 0 HG3 ARG A 135 -10.542 25.595 -20.476 1.00 5.42 H new ATOM 0 HD2 ARG A 135 -11.568 24.909 -18.463 1.00 11.01 H new ATOM 0 HD3 ARG A 135 -10.039 24.520 -17.700 1.00 11.01 H new ATOM 0 HE ARG A 135 -9.939 27.284 -18.223 1.00 62.44 H new ATOM 0 HH11 ARG A 135 -12.085 25.099 -16.460 1.00 0.12 H new ATOM 0 HH12 ARG A 135 -12.444 26.282 -15.198 1.00 0.12 H new ATOM 0 HH21 ARG A 135 -10.388 28.790 -16.576 1.00 71.02 H new ATOM 0 HH22 ARG A 135 -11.489 28.360 -15.263 1.00 71.02 H new ATOM 2180 N GLU A 136 -7.065 25.125 -18.361 1.00 23.14 N ATOM 2181 CA GLU A 136 -6.144 26.239 -18.241 1.00 12.01 C ATOM 2182 C GLU A 136 -4.710 25.748 -18.028 1.00 50.43 C ATOM 2183 O GLU A 136 -3.767 26.275 -18.615 1.00 74.45 O ATOM 2184 CB GLU A 136 -6.604 27.108 -17.073 1.00 12.35 C ATOM 2185 CG GLU A 136 -6.073 28.526 -17.088 1.00 71.34 C ATOM 2186 CD GLU A 136 -6.923 29.439 -16.232 1.00 61.31 C ATOM 2187 OE1 GLU A 136 -7.906 29.995 -16.757 1.00 63.02 O ATOM 2188 OE2 GLU A 136 -6.630 29.587 -15.028 1.00 51.35 O ATOM 0 H GLU A 136 -7.690 25.021 -17.562 1.00 23.14 H new ATOM 0 HA GLU A 136 -6.145 26.822 -19.162 1.00 12.01 H new ATOM 0 HB2 GLU A 136 -7.693 27.143 -17.072 1.00 12.35 H new ATOM 0 HB3 GLU A 136 -6.299 26.631 -16.142 1.00 12.35 H new ATOM 0 HG2 GLU A 136 -5.045 28.536 -16.725 1.00 71.34 H new ATOM 0 HG3 GLU A 136 -6.053 28.898 -18.112 1.00 71.34 H new ATOM 2195 N ALA A 137 -4.557 24.738 -17.181 1.00 62.30 N ATOM 2196 CA ALA A 137 -3.244 24.172 -16.885 1.00 35.33 C ATOM 2197 C ALA A 137 -2.863 23.080 -17.885 1.00 31.21 C ATOM 2198 O ALA A 137 -1.694 22.724 -18.022 1.00 72.13 O ATOM 2199 CB ALA A 137 -3.221 23.624 -15.469 1.00 3.51 C ATOM 0 H ALA A 137 -5.328 24.292 -16.685 1.00 62.30 H new ATOM 0 HA ALA A 137 -2.507 24.970 -16.973 1.00 35.33 H new ATOM 0 HB1 ALA A 137 -2.238 23.204 -15.257 1.00 3.51 H new ATOM 0 HB2 ALA A 137 -3.431 24.428 -14.764 1.00 3.51 H new ATOM 0 HB3 ALA A 137 -3.977 22.846 -15.368 1.00 3.51 H new ATOM 2205 N VAL A 138 -3.857 22.534 -18.573 1.00 64.42 N ATOM 2206 CA VAL A 138 -3.619 21.452 -19.523 1.00 74.32 C ATOM 2207 C VAL A 138 -2.790 21.924 -20.717 1.00 61.01 C ATOM 2208 O VAL A 138 -1.899 21.202 -21.176 1.00 61.12 O ATOM 2209 CB VAL A 138 -4.945 20.808 -20.009 1.00 52.22 C ATOM 2210 CG1 VAL A 138 -4.737 20.001 -21.286 1.00 72.31 C ATOM 2211 CG2 VAL A 138 -5.525 19.911 -18.926 1.00 12.25 C ATOM 0 H VAL A 138 -4.833 22.820 -18.493 1.00 64.42 H new ATOM 0 HA VAL A 138 -3.049 20.690 -18.991 1.00 74.32 H new ATOM 0 HB VAL A 138 -5.644 21.616 -20.224 1.00 52.22 H new ATOM 0 HG11 VAL A 138 -5.685 19.564 -21.599 1.00 72.31 H new ATOM 0 HG12 VAL A 138 -4.362 20.655 -22.073 1.00 72.31 H new ATOM 0 HG13 VAL A 138 -4.015 19.206 -21.100 1.00 72.31 H new ATOM 0 HG21 VAL A 138 -6.455 19.466 -19.281 1.00 12.25 H new ATOM 0 HG22 VAL A 138 -4.813 19.121 -18.688 1.00 12.25 H new ATOM 0 HG23 VAL A 138 -5.724 20.502 -18.032 1.00 12.25 H new ATOM 2221 N GLU A 139 -3.057 23.135 -21.202 1.00 1.24 N ATOM 2222 CA GLU A 139 -2.367 23.638 -22.382 1.00 41.21 C ATOM 2223 C GLU A 139 -0.867 23.793 -22.138 1.00 44.15 C ATOM 2224 O GLU A 139 -0.067 23.541 -23.035 1.00 54.15 O ATOM 2225 CB GLU A 139 -2.962 24.967 -22.861 1.00 31.44 C ATOM 2226 CG GLU A 139 -2.804 26.119 -21.883 1.00 72.51 C ATOM 2227 CD GLU A 139 -3.055 27.462 -22.534 1.00 32.21 C ATOM 2228 OE1 GLU A 139 -4.235 27.823 -22.735 1.00 63.23 O ATOM 2229 OE2 GLU A 139 -2.071 28.156 -22.865 1.00 63.25 O ATOM 0 H GLU A 139 -3.739 23.778 -20.800 1.00 1.24 H new ATOM 0 HA GLU A 139 -2.510 22.895 -23.166 1.00 41.21 H new ATOM 0 HB2 GLU A 139 -2.491 25.242 -23.805 1.00 31.44 H new ATOM 0 HB3 GLU A 139 -4.023 24.823 -23.064 1.00 31.44 H new ATOM 0 HG2 GLU A 139 -3.497 25.985 -21.052 1.00 72.51 H new ATOM 0 HG3 GLU A 139 -1.798 26.103 -21.465 1.00 72.51 H new ATOM 2236 N GLU A 140 -0.476 24.176 -20.927 1.00 1.23 N ATOM 2237 CA GLU A 140 0.931 24.422 -20.654 1.00 43.24 C ATOM 2238 C GLU A 140 1.713 23.113 -20.568 1.00 13.01 C ATOM 2239 O GLU A 140 2.815 23.021 -21.097 1.00 24.52 O ATOM 2240 CB GLU A 140 1.125 25.269 -19.389 1.00 0.03 C ATOM 2241 CG GLU A 140 0.651 24.620 -18.102 1.00 31.32 C ATOM 2242 CD GLU A 140 0.919 25.492 -16.893 1.00 13.23 C ATOM 2243 OE1 GLU A 140 2.089 25.586 -16.475 1.00 75.34 O ATOM 2244 OE2 GLU A 140 -0.033 26.108 -16.369 1.00 54.44 O ATOM 0 H GLU A 140 -1.101 24.320 -20.134 1.00 1.23 H new ATOM 0 HA GLU A 140 1.329 24.995 -21.491 1.00 43.24 H new ATOM 0 HB2 GLU A 140 2.184 25.508 -19.289 1.00 0.03 H new ATOM 0 HB3 GLU A 140 0.596 26.213 -19.518 1.00 0.03 H new ATOM 0 HG2 GLU A 140 -0.417 24.416 -18.172 1.00 31.32 H new ATOM 0 HG3 GLU A 140 1.152 23.660 -17.975 1.00 31.32 H new ATOM 2251 N LYS A 141 1.134 22.088 -19.943 1.00 63.52 N ATOM 2252 CA LYS A 141 1.818 20.802 -19.829 1.00 5.12 C ATOM 2253 C LYS A 141 1.870 20.089 -21.177 1.00 61.11 C ATOM 2254 O LYS A 141 2.736 19.249 -21.410 1.00 24.51 O ATOM 2255 CB LYS A 141 1.177 19.904 -18.749 1.00 12.25 C ATOM 2256 CG LYS A 141 -0.315 19.646 -18.919 1.00 61.20 C ATOM 2257 CD LYS A 141 -0.588 18.320 -19.618 1.00 13.12 C ATOM 2258 CE LYS A 141 -2.071 17.978 -19.597 1.00 74.34 C ATOM 2259 NZ LYS A 141 -2.347 16.621 -20.148 1.00 55.10 N ATOM 0 H LYS A 141 0.209 22.121 -19.515 1.00 63.52 H new ATOM 0 HA LYS A 141 2.841 21.005 -19.513 1.00 5.12 H new ATOM 0 HB2 LYS A 141 1.696 18.946 -18.742 1.00 12.25 H new ATOM 0 HB3 LYS A 141 1.341 20.363 -17.774 1.00 12.25 H new ATOM 0 HG2 LYS A 141 -0.797 19.647 -17.941 1.00 61.20 H new ATOM 0 HG3 LYS A 141 -0.760 20.458 -19.494 1.00 61.20 H new ATOM 0 HD2 LYS A 141 -0.239 18.372 -20.649 1.00 13.12 H new ATOM 0 HD3 LYS A 141 -0.023 17.526 -19.130 1.00 13.12 H new ATOM 0 HE2 LYS A 141 -2.440 18.034 -18.573 1.00 74.34 H new ATOM 0 HE3 LYS A 141 -2.621 18.721 -20.175 1.00 74.34 H new ATOM 0 HZ1 LYS A 141 -3.237 16.259 -19.749 1.00 55.10 H new ATOM 0 HZ2 LYS A 141 -2.429 16.677 -21.183 1.00 55.10 H new ATOM 0 HZ3 LYS A 141 -1.568 15.979 -19.896 1.00 55.10 H new ATOM 2273 N LEU A 142 0.957 20.428 -22.077 1.00 35.34 N ATOM 2274 CA LEU A 142 0.980 19.828 -23.399 1.00 22.33 C ATOM 2275 C LEU A 142 1.942 20.576 -24.319 1.00 51.11 C ATOM 2276 O LEU A 142 2.640 19.961 -25.130 1.00 51.42 O ATOM 2277 CB LEU A 142 -0.439 19.727 -24.006 1.00 45.30 C ATOM 2278 CG LEU A 142 -1.121 21.034 -24.439 1.00 32.00 C ATOM 2279 CD1 LEU A 142 -0.672 21.459 -25.832 1.00 4.12 C ATOM 2280 CD2 LEU A 142 -2.633 20.877 -24.402 1.00 23.30 C ATOM 0 H LEU A 142 0.207 21.101 -21.919 1.00 35.34 H new ATOM 0 HA LEU A 142 1.349 18.808 -23.296 1.00 22.33 H new ATOM 0 HB2 LEU A 142 -0.387 19.071 -24.875 1.00 45.30 H new ATOM 0 HB3 LEU A 142 -1.083 19.238 -23.275 1.00 45.30 H new ATOM 0 HG LEU A 142 -0.825 21.814 -23.737 1.00 32.00 H new ATOM 0 HD11 LEU A 142 -1.173 22.387 -26.108 1.00 4.12 H new ATOM 0 HD12 LEU A 142 0.407 21.614 -25.835 1.00 4.12 H new ATOM 0 HD13 LEU A 142 -0.929 20.680 -26.550 1.00 4.12 H new ATOM 0 HD21 LEU A 142 -3.103 21.810 -24.711 1.00 23.30 H new ATOM 0 HD22 LEU A 142 -2.933 20.078 -25.080 1.00 23.30 H new ATOM 0 HD23 LEU A 142 -2.948 20.630 -23.388 1.00 23.30 H new ATOM 2292 N ARG A 143 2.007 21.898 -24.179 1.00 45.25 N ATOM 2293 CA ARG A 143 2.818 22.704 -25.081 1.00 64.34 C ATOM 2294 C ARG A 143 4.266 22.791 -24.608 1.00 23.43 C ATOM 2295 O ARG A 143 5.161 23.073 -25.400 1.00 72.34 O ATOM 2296 CB ARG A 143 2.223 24.107 -25.263 1.00 55.42 C ATOM 2297 CG ARG A 143 2.408 25.037 -24.076 1.00 63.21 C ATOM 2298 CD ARG A 143 1.788 26.399 -24.348 1.00 21.41 C ATOM 2299 NE ARG A 143 2.305 27.006 -25.579 1.00 71.34 N ATOM 2300 CZ ARG A 143 2.304 28.316 -25.823 1.00 53.42 C ATOM 2301 NH1 ARG A 143 1.795 29.162 -24.937 1.00 21.40 N ATOM 2302 NH2 ARG A 143 2.796 28.772 -26.967 1.00 5.14 N ATOM 0 H ARG A 143 1.514 22.426 -23.459 1.00 45.25 H new ATOM 0 HA ARG A 143 2.813 22.205 -26.050 1.00 64.34 H new ATOM 0 HB2 ARG A 143 2.676 24.567 -26.141 1.00 55.42 H new ATOM 0 HB3 ARG A 143 1.157 24.010 -25.468 1.00 55.42 H new ATOM 0 HG2 ARG A 143 1.952 24.596 -23.190 1.00 63.21 H new ATOM 0 HG3 ARG A 143 3.471 25.153 -23.863 1.00 63.21 H new ATOM 0 HD2 ARG A 143 0.706 26.295 -24.423 1.00 21.41 H new ATOM 0 HD3 ARG A 143 1.987 27.062 -23.506 1.00 21.41 H new ATOM 0 HE ARG A 143 2.689 26.387 -26.293 1.00 71.34 H new ATOM 0 HH11 ARG A 143 1.402 28.811 -24.064 1.00 21.40 H new ATOM 0 HH12 ARG A 143 1.797 30.164 -25.129 1.00 21.40 H new ATOM 0 HH21 ARG A 143 3.173 28.121 -27.656 1.00 5.14 H new ATOM 0 HH22 ARG A 143 2.797 29.774 -27.158 1.00 5.14 H new ATOM 2316 N ALA A 144 4.498 22.539 -23.323 1.00 31.21 N ATOM 2317 CA ALA A 144 5.855 22.516 -22.782 1.00 20.30 C ATOM 2318 C ALA A 144 6.619 21.304 -23.304 1.00 20.14 C ATOM 2319 O ALA A 144 7.849 21.249 -23.244 1.00 2.15 O ATOM 2320 CB ALA A 144 5.824 22.505 -21.261 1.00 21.43 C ATOM 0 H ALA A 144 3.767 22.348 -22.638 1.00 31.21 H new ATOM 0 HA ALA A 144 6.369 23.419 -23.112 1.00 20.30 H new ATOM 0 HB1 ALA A 144 6.844 22.488 -20.876 1.00 21.43 H new ATOM 0 HB2 ALA A 144 5.315 23.399 -20.901 1.00 21.43 H new ATOM 0 HB3 ALA A 144 5.291 21.620 -20.914 1.00 21.43 H new ATOM 2326 N THR A 145 5.875 20.340 -23.820 1.00 10.22 N ATOM 2327 CA THR A 145 6.453 19.132 -24.377 1.00 21.32 C ATOM 2328 C THR A 145 6.514 19.239 -25.901 1.00 13.24 C ATOM 2329 O THR A 145 6.709 18.251 -26.610 1.00 72.53 O ATOM 2330 CB THR A 145 5.618 17.907 -23.966 1.00 35.24 C ATOM 2331 OG1 THR A 145 5.151 18.083 -22.621 1.00 74.53 O ATOM 2332 CG2 THR A 145 6.444 16.630 -24.048 1.00 24.22 C ATOM 0 H THR A 145 4.857 20.374 -23.864 1.00 10.22 H new ATOM 0 HA THR A 145 7.465 19.012 -23.989 1.00 21.32 H new ATOM 0 HB THR A 145 4.775 17.818 -24.651 1.00 35.24 H new ATOM 0 HG1 THR A 145 4.285 18.541 -22.633 1.00 74.53 H new ATOM 0 HG21 THR A 145 5.830 15.780 -23.752 1.00 24.22 H new ATOM 0 HG22 THR A 145 6.793 16.487 -25.071 1.00 24.22 H new ATOM 0 HG23 THR A 145 7.302 16.708 -23.380 1.00 24.22 H new ATOM 2340 N ASP A 146 6.328 20.455 -26.396 1.00 51.01 N ATOM 2341 CA ASP A 146 6.364 20.723 -27.826 1.00 61.45 C ATOM 2342 C ASP A 146 6.909 22.122 -28.065 1.00 60.02 C ATOM 2343 O ASP A 146 7.429 22.756 -27.141 1.00 51.42 O ATOM 2344 CB ASP A 146 4.960 20.606 -28.425 1.00 41.32 C ATOM 2345 CG ASP A 146 4.928 19.719 -29.650 1.00 53.10 C ATOM 2346 OD1 ASP A 146 5.335 20.170 -30.737 1.00 65.43 O ATOM 2347 OD2 ASP A 146 4.493 18.555 -29.525 1.00 71.55 O ATOM 0 H ASP A 146 6.149 21.278 -25.821 1.00 51.01 H new ATOM 0 HA ASP A 146 7.012 19.991 -28.308 1.00 61.45 H new ATOM 0 HB2 ASP A 146 4.279 20.207 -27.673 1.00 41.32 H new ATOM 0 HB3 ASP A 146 4.597 21.599 -28.689 1.00 41.32 H new