USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 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 21 ASN :FLIP amide:sc= -0.666 F(o=-4.1!,f=0.32) USER MOD Set 1.2: A 110 HIS :FLIP no HE2:sc= -0.138 F(o=-1.8,f=0.32) USER MOD Set 1.3: A 138 TYR OH : rot -39:sc= 1.18 USER MOD Set 1.4: A 142 MET CE :methyl -146:sc= -0.0509 (180deg=-0.485) USER MOD Set 2.1: A 90 THR OG1 : rot -118:sc= 1.01 USER MOD Set 2.2: A 92 TYR OH : rot 160:sc= -2.17! USER MOD Set 3.1: A 76 TYR OH : rot -98:sc= -0.152 USER MOD Set 3.2: A 78 SER OG : rot 143:sc= -0.431 USER MOD Set 4.1: A 31 LYS NZ :NH3+ -157:sc=-0.00906 (180deg=0) USER MOD Set 4.2: A 32 MET CE :methyl -108:sc= -3.99! (180deg=-9.93!) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -0.388 USER MOD Set 5.2: A 36 MET CE :methyl 149:sc= -2.4 (180deg=-3.68!) USER MOD Single : A 1 MET CE :methyl -145:sc= -0.228 (180deg=-1.46) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0174 (180deg=-0.255) USER MOD Single : A 2 THR OG1 : rot 7:sc= 0.828 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= -7.45! (180deg=-7.93!) USER MOD Single : A 20 SER OG : rot 140:sc= -1.73! USER MOD Single : A 22 THR OG1 : rot -78:sc= -1.2 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -2.77 (180deg=-3.34!) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.71) USER MOD Single : A 34 MET CE :methyl -162:sc= -2.27! (180deg=-3.62!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.0137 (180deg=0.00225) USER MOD Single : A 50 SER OG : rot 180:sc= -0.407 USER MOD Single : A 51 TYR OH : rot 13:sc= 0.011 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= -2.16 (180deg=-2.26!) USER MOD Single : A 57 ASN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= -0.0904 (180deg=-0.666) USER MOD Single : A 64 THR OG1 : rot -61:sc= -0.629! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= -1.23 (180deg=-1.26) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0384 (180deg=-0.353) USER MOD Single : A 69 THR OG1 : rot 67:sc= -1.64! USER MOD Single : A 70 SER OG : rot -39:sc= 0.796 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0031 USER MOD Single : A 82 LYS NZ :NH3+ -104:sc= -3.36 (180deg=-7.81!) USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= -2.22! (180deg=-3.75!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 101 THR OG1 : rot 27:sc= 0.65 USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= -8.86! (180deg=-9.33!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -164:sc= -3.63! (180deg=-4!) USER MOD Single : A 112 MET CE :methyl -139:sc= 0 (180deg=-1.34) USER MOD Single : A 115 TYR OH : rot -46:sc= -7.6! USER MOD Single : A 116 SER OG : rot -147:sc= 1.65 USER MOD Single : A 118 SER OG : rot 180:sc= -0.487 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 131 LYS NZ :NH3+ 152:sc= -0.166 (180deg=-1.08) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 145 MET CE :methyl -107:sc= -0.909 (180deg=-2.05) USER MOD Single : A 149 GLN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot -22:sc= 0.435 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.455 13.031 -20.630 1.00 0.00 N ATOM 2 CA MET A 1 5.896 14.454 -20.620 1.00 52.33 C ATOM 3 C MET A 1 4.846 15.316 -21.311 1.00 44.52 C ATOM 4 O MET A 1 5.083 15.851 -22.394 1.00 55.32 O ATOM 5 CB MET A 1 7.235 14.576 -21.352 1.00 35.04 C ATOM 6 CG MET A 1 8.317 13.831 -20.568 1.00 73.33 C ATOM 7 SD MET A 1 9.934 14.154 -21.313 1.00 53.23 S ATOM 8 CE MET A 1 9.585 13.432 -22.936 1.00 23.35 C ATOM 0 H1 MET A 1 6.048 12.479 -19.978 1.00 0.00 H new ATOM 0 H2 MET A 1 4.462 12.973 -20.328 1.00 0.00 H new ATOM 0 H3 MET A 1 5.547 12.646 -21.592 1.00 0.00 H new ATOM 0 HA MET A 1 6.017 14.794 -19.591 1.00 52.33 H new ATOM 0 HB2 MET A 1 7.151 14.163 -22.357 1.00 35.04 H new ATOM 0 HB3 MET A 1 7.508 15.626 -21.460 1.00 35.04 H new ATOM 0 HG2 MET A 1 8.314 14.154 -19.527 1.00 73.33 H new ATOM 0 HG3 MET A 1 8.111 12.761 -20.571 1.00 73.33 H new ATOM 0 HE1 MET A 1 10.486 12.958 -23.325 1.00 23.35 H new ATOM 0 HE2 MET A 1 8.795 12.687 -22.841 1.00 23.35 H new ATOM 0 HE3 MET A 1 9.263 14.216 -23.621 1.00 23.35 H new ATOM 20 N THR A 2 3.684 15.445 -20.680 1.00 5.44 N ATOM 21 CA THR A 2 2.602 16.244 -21.243 1.00 74.25 C ATOM 22 C THR A 2 1.610 16.646 -20.157 1.00 2.22 C ATOM 23 O THR A 2 0.484 17.050 -20.450 1.00 33.14 O ATOM 24 CB THR A 2 1.878 15.449 -22.332 1.00 43.41 C ATOM 25 OG1 THR A 2 0.613 16.044 -22.589 1.00 40.00 O ATOM 26 CG2 THR A 2 1.680 14.005 -21.868 1.00 70.41 C ATOM 0 H THR A 2 3.468 15.009 -19.783 1.00 5.44 H new ATOM 0 HA THR A 2 3.031 17.147 -21.678 1.00 74.25 H new ATOM 0 HB THR A 2 2.475 15.456 -23.244 1.00 43.41 H new ATOM 0 HG1 THR A 2 0.540 16.885 -22.091 1.00 40.00 H new ATOM 0 HG21 THR A 2 1.164 13.441 -22.645 1.00 70.41 H new ATOM 0 HG22 THR A 2 2.651 13.549 -21.672 1.00 70.41 H new ATOM 0 HG23 THR A 2 1.084 13.995 -20.956 1.00 70.41 H new ATOM 34 N VAL A 3 2.035 16.534 -18.901 1.00 12.05 N ATOM 35 CA VAL A 3 1.177 16.889 -17.772 1.00 41.13 C ATOM 36 C VAL A 3 2.004 17.498 -16.642 1.00 34.22 C ATOM 37 O VAL A 3 2.145 16.903 -15.574 1.00 63.01 O ATOM 38 CB VAL A 3 0.447 15.644 -17.263 1.00 21.23 C ATOM 39 CG1 VAL A 3 -0.677 15.275 -18.234 1.00 52.02 C ATOM 40 CG2 VAL A 3 1.435 14.479 -17.166 1.00 4.54 C ATOM 0 H VAL A 3 2.963 16.202 -18.639 1.00 12.05 H new ATOM 0 HA VAL A 3 0.447 17.626 -18.108 1.00 41.13 H new ATOM 0 HB VAL A 3 0.025 15.849 -16.279 1.00 21.23 H new ATOM 0 HG11 VAL A 3 -1.196 14.388 -17.870 1.00 52.02 H new ATOM 0 HG12 VAL A 3 -1.382 16.103 -18.307 1.00 52.02 H new ATOM 0 HG13 VAL A 3 -0.255 15.070 -19.218 1.00 52.02 H new ATOM 0 HG21 VAL A 3 0.916 13.591 -16.804 1.00 4.54 H new ATOM 0 HG22 VAL A 3 1.856 14.276 -18.151 1.00 4.54 H new ATOM 0 HG23 VAL A 3 2.237 14.738 -16.475 1.00 4.54 H new ATOM 50 N PRO A 4 2.546 18.667 -16.862 1.00 53.21 N ATOM 51 CA PRO A 4 3.378 19.375 -15.843 1.00 70.24 C ATOM 52 C PRO A 4 2.687 19.442 -14.482 1.00 24.43 C ATOM 53 O PRO A 4 3.307 19.783 -13.475 1.00 60.31 O ATOM 54 CB PRO A 4 3.565 20.777 -16.440 1.00 30.42 C ATOM 55 CG PRO A 4 3.415 20.595 -17.916 1.00 21.15 C ATOM 56 CD PRO A 4 2.427 19.442 -18.108 1.00 10.10 C ATOM 0 HA PRO A 4 4.320 18.862 -15.652 1.00 70.24 H new ATOM 0 HB2 PRO A 4 2.822 21.473 -16.051 1.00 30.42 H new ATOM 0 HB3 PRO A 4 4.545 21.184 -16.191 1.00 30.42 H new ATOM 0 HG2 PRO A 4 3.044 21.507 -18.385 1.00 21.15 H new ATOM 0 HG3 PRO A 4 4.375 20.366 -18.379 1.00 21.15 H new ATOM 0 HD2 PRO A 4 1.411 19.807 -18.257 1.00 10.10 H new ATOM 0 HD3 PRO A 4 2.680 18.839 -18.980 1.00 10.10 H new ATOM 64 N ASP A 5 1.397 19.118 -14.462 1.00 12.13 N ATOM 65 CA ASP A 5 0.631 19.146 -13.221 1.00 64.24 C ATOM 66 C ASP A 5 1.338 18.345 -12.133 1.00 74.15 C ATOM 67 O ASP A 5 1.339 18.731 -10.964 1.00 75.14 O ATOM 68 CB ASP A 5 -0.765 18.568 -13.457 1.00 44.42 C ATOM 69 CG ASP A 5 -1.553 19.474 -14.397 1.00 54.35 C ATOM 70 OD1 ASP A 5 -1.119 20.594 -14.610 1.00 34.12 O ATOM 71 OD2 ASP A 5 -2.578 19.033 -14.892 1.00 23.10 O ATOM 0 H ASP A 5 0.864 18.835 -15.284 1.00 12.13 H new ATOM 0 HA ASP A 5 0.546 20.182 -12.893 1.00 64.24 H new ATOM 0 HB2 ASP A 5 -0.686 17.568 -13.884 1.00 44.42 H new ATOM 0 HB3 ASP A 5 -1.292 18.469 -12.508 1.00 44.42 H new ATOM 76 N ARG A 6 1.940 17.226 -12.525 1.00 72.11 N ATOM 77 CA ARG A 6 2.647 16.377 -11.571 1.00 74.44 C ATOM 78 C ARG A 6 3.733 17.170 -10.850 1.00 63.31 C ATOM 79 O ARG A 6 3.873 17.080 -9.630 1.00 63.00 O ATOM 80 CB ARG A 6 3.276 15.185 -12.301 1.00 35.30 C ATOM 81 CG ARG A 6 4.073 14.313 -11.306 1.00 33.35 C ATOM 82 CD ARG A 6 5.574 14.590 -11.441 1.00 43.55 C ATOM 83 NE ARG A 6 6.008 14.364 -12.817 1.00 43.41 N ATOM 84 CZ ARG A 6 7.117 14.923 -13.289 1.00 65.30 C ATOM 85 NH1 ARG A 6 7.841 15.689 -12.519 1.00 62.40 N ATOM 86 NH2 ARG A 6 7.484 14.706 -14.523 1.00 53.32 N ATOM 0 H ARG A 6 1.953 16.888 -13.487 1.00 72.11 H new ATOM 0 HA ARG A 6 1.931 16.014 -10.833 1.00 74.44 H new ATOM 0 HB2 ARG A 6 2.498 14.588 -12.777 1.00 35.30 H new ATOM 0 HB3 ARG A 6 3.935 15.540 -13.093 1.00 35.30 H new ATOM 0 HG2 ARG A 6 3.748 14.522 -10.287 1.00 33.35 H new ATOM 0 HG3 ARG A 6 3.872 13.258 -11.494 1.00 33.35 H new ATOM 0 HD2 ARG A 6 5.789 15.618 -11.149 1.00 43.55 H new ATOM 0 HD3 ARG A 6 6.133 13.943 -10.765 1.00 43.55 H new ATOM 0 HE ARG A 6 5.450 13.766 -13.427 1.00 43.41 H new ATOM 0 HH11 ARG A 6 7.555 15.859 -11.555 1.00 62.40 H new ATOM 0 HH12 ARG A 6 8.692 16.118 -12.882 1.00 62.40 H new ATOM 0 HH21 ARG A 6 6.919 14.107 -15.125 1.00 53.32 H new ATOM 0 HH22 ARG A 6 8.335 15.135 -14.885 1.00 53.32 H new ATOM 100 N SER A 7 4.496 17.943 -11.612 1.00 2.24 N ATOM 101 CA SER A 7 5.569 18.751 -11.041 1.00 61.12 C ATOM 102 C SER A 7 5.014 19.743 -10.023 1.00 10.10 C ATOM 103 O SER A 7 5.684 20.096 -9.053 1.00 42.32 O ATOM 104 CB SER A 7 6.294 19.511 -12.151 1.00 32.41 C ATOM 105 OG SER A 7 6.780 18.586 -13.115 1.00 35.12 O ATOM 0 H SER A 7 4.394 18.028 -12.623 1.00 2.24 H new ATOM 0 HA SER A 7 6.269 18.085 -10.536 1.00 61.12 H new ATOM 0 HB2 SER A 7 5.616 20.223 -12.623 1.00 32.41 H new ATOM 0 HB3 SER A 7 7.120 20.086 -11.734 1.00 32.41 H new ATOM 0 HG SER A 7 7.244 19.071 -13.829 1.00 35.12 H new ATOM 111 N GLU A 8 3.789 20.196 -10.262 1.00 20.30 N ATOM 112 CA GLU A 8 3.149 21.161 -9.373 1.00 45.32 C ATOM 113 C GLU A 8 2.841 20.548 -8.008 1.00 21.01 C ATOM 114 O GLU A 8 3.083 21.171 -6.974 1.00 44.11 O ATOM 115 CB GLU A 8 1.852 21.667 -10.008 1.00 42.43 C ATOM 116 CG GLU A 8 1.350 22.892 -9.240 1.00 71.54 C ATOM 117 CD GLU A 8 2.265 24.083 -9.504 1.00 53.24 C ATOM 118 OE1 GLU A 8 2.912 24.091 -10.538 1.00 14.30 O ATOM 119 OE2 GLU A 8 2.305 24.971 -8.667 1.00 4.21 O ATOM 0 H GLU A 8 3.220 19.913 -11.060 1.00 20.30 H new ATOM 0 HA GLU A 8 3.841 21.990 -9.225 1.00 45.32 H new ATOM 0 HB2 GLU A 8 2.023 21.925 -11.053 1.00 42.43 H new ATOM 0 HB3 GLU A 8 1.097 20.881 -9.993 1.00 42.43 H new ATOM 0 HG2 GLU A 8 0.331 23.131 -9.545 1.00 71.54 H new ATOM 0 HG3 GLU A 8 1.320 22.675 -8.172 1.00 71.54 H new ATOM 126 N ILE A 9 2.292 19.334 -8.004 1.00 62.31 N ATOM 127 CA ILE A 9 1.941 18.667 -6.749 1.00 1.13 C ATOM 128 C ILE A 9 3.112 17.859 -6.206 1.00 11.35 C ATOM 129 O ILE A 9 3.239 17.666 -4.998 1.00 31.44 O ATOM 130 CB ILE A 9 0.733 17.740 -6.975 1.00 73.05 C ATOM 131 CG1 ILE A 9 0.023 17.433 -5.621 1.00 1.41 C ATOM 132 CG2 ILE A 9 1.184 16.452 -7.687 1.00 51.20 C ATOM 133 CD1 ILE A 9 0.385 16.051 -5.085 1.00 53.30 C ATOM 0 H ILE A 9 2.082 18.796 -8.845 1.00 62.31 H new ATOM 0 HA ILE A 9 1.688 19.433 -6.016 1.00 1.13 H new ATOM 0 HB ILE A 9 0.009 18.242 -7.617 1.00 73.05 H new ATOM 0 HG12 ILE A 9 0.299 18.190 -4.887 1.00 1.41 H new ATOM 0 HG13 ILE A 9 -1.057 17.498 -5.755 1.00 1.41 H new ATOM 0 HG21 ILE A 9 0.323 15.802 -7.843 1.00 51.20 H new ATOM 0 HG22 ILE A 9 1.627 16.705 -8.650 1.00 51.20 H new ATOM 0 HG23 ILE A 9 1.922 15.936 -7.073 1.00 51.20 H new ATOM 0 HD11 ILE A 9 -0.132 15.880 -4.141 1.00 53.30 H new ATOM 0 HD12 ILE A 9 0.084 15.291 -5.806 1.00 53.30 H new ATOM 0 HD13 ILE A 9 1.462 15.993 -4.925 1.00 53.30 H new ATOM 145 N ALA A 10 3.964 17.393 -7.107 1.00 43.10 N ATOM 146 CA ALA A 10 5.110 16.615 -6.678 1.00 44.45 C ATOM 147 C ALA A 10 5.955 17.474 -5.758 1.00 11.22 C ATOM 148 O ALA A 10 6.070 18.682 -5.964 1.00 11.32 O ATOM 149 CB ALA A 10 5.917 16.097 -7.870 1.00 15.11 C ATOM 0 H ALA A 10 3.886 17.536 -8.114 1.00 43.10 H new ATOM 0 HA ALA A 10 4.770 15.732 -6.137 1.00 44.45 H new ATOM 0 HB1 ALA A 10 6.768 15.519 -7.510 1.00 15.11 H new ATOM 0 HB2 ALA A 10 5.284 15.463 -8.490 1.00 15.11 H new ATOM 0 HB3 ALA A 10 6.275 16.940 -8.461 1.00 15.11 H new ATOM 155 N GLY A 11 6.510 16.865 -4.714 1.00 54.35 N ATOM 156 CA GLY A 11 7.299 17.603 -3.738 1.00 52.34 C ATOM 157 C GLY A 11 6.614 17.514 -2.376 1.00 55.14 C ATOM 158 O GLY A 11 7.269 17.543 -1.334 1.00 11.24 O ATOM 0 H GLY A 11 6.427 15.866 -4.524 1.00 54.35 H new ATOM 0 HA2 GLY A 11 8.307 17.192 -3.680 1.00 52.34 H new ATOM 0 HA3 GLY A 11 7.397 18.645 -4.043 1.00 52.34 H new ATOM 162 N LYS A 12 5.282 17.402 -2.401 1.00 23.01 N ATOM 163 CA LYS A 12 4.504 17.305 -1.168 1.00 25.33 C ATOM 164 C LYS A 12 3.088 16.767 -1.434 1.00 33.35 C ATOM 165 O LYS A 12 2.265 17.461 -2.031 1.00 43.24 O ATOM 166 CB LYS A 12 4.407 18.692 -0.526 1.00 2.33 C ATOM 167 CG LYS A 12 3.523 18.627 0.720 1.00 62.41 C ATOM 168 CD LYS A 12 3.670 19.926 1.518 1.00 64.30 C ATOM 169 CE LYS A 12 3.341 21.123 0.623 1.00 72.11 C ATOM 170 NZ LYS A 12 2.166 20.796 -0.234 1.00 44.32 N ATOM 0 H LYS A 12 4.726 17.377 -3.256 1.00 23.01 H new ATOM 0 HA LYS A 12 5.009 16.608 -0.499 1.00 25.33 H new ATOM 0 HB2 LYS A 12 5.402 19.049 -0.259 1.00 2.33 H new ATOM 0 HB3 LYS A 12 3.993 19.405 -1.240 1.00 2.33 H new ATOM 0 HG2 LYS A 12 2.482 18.480 0.433 1.00 62.41 H new ATOM 0 HG3 LYS A 12 3.807 17.774 1.337 1.00 62.41 H new ATOM 0 HD2 LYS A 12 3.004 19.911 2.381 1.00 64.30 H new ATOM 0 HD3 LYS A 12 4.686 20.015 1.901 1.00 64.30 H new ATOM 0 HE2 LYS A 12 3.126 21.999 1.234 1.00 72.11 H new ATOM 0 HE3 LYS A 12 4.200 21.372 0.000 1.00 72.11 H new ATOM 0 HZ1 LYS A 12 1.901 21.632 -0.793 1.00 44.32 H new ATOM 0 HZ2 LYS A 12 2.411 20.014 -0.875 1.00 44.32 H new ATOM 0 HZ3 LYS A 12 1.366 20.513 0.367 1.00 44.32 H new ATOM 184 N TRP A 13 2.792 15.548 -0.961 1.00 53.04 N ATOM 185 CA TRP A 13 1.458 14.957 -1.126 1.00 41.52 C ATOM 186 C TRP A 13 0.866 14.734 0.262 1.00 32.11 C ATOM 187 O TRP A 13 1.529 14.168 1.132 1.00 53.41 O ATOM 188 CB TRP A 13 1.591 13.597 -1.834 1.00 4.21 C ATOM 189 CG TRP A 13 1.961 13.789 -3.241 1.00 1.13 C ATOM 190 CD1 TRP A 13 3.083 14.383 -3.678 1.00 12.11 C ATOM 191 CD2 TRP A 13 1.221 13.369 -4.416 1.00 14.55 C ATOM 192 NE1 TRP A 13 3.082 14.343 -5.049 1.00 73.23 N ATOM 193 CE2 TRP A 13 1.969 13.719 -5.543 1.00 75.23 C ATOM 194 CE3 TRP A 13 -0.007 12.714 -4.612 1.00 54.34 C ATOM 195 CZ2 TRP A 13 1.544 13.441 -6.821 1.00 33.50 C ATOM 196 CZ3 TRP A 13 -0.455 12.431 -5.914 1.00 52.24 C ATOM 197 CH2 TRP A 13 0.328 12.790 -7.021 1.00 21.02 C ATOM 0 H TRP A 13 3.456 14.955 -0.463 1.00 53.04 H new ATOM 0 HA TRP A 13 0.821 15.616 -1.716 1.00 41.52 H new ATOM 0 HB2 TRP A 13 2.345 12.990 -1.332 1.00 4.21 H new ATOM 0 HB3 TRP A 13 0.649 13.052 -1.770 1.00 4.21 H new ATOM 0 HD1 TRP A 13 3.853 14.817 -3.057 1.00 12.11 H new ATOM 0 HE1 TRP A 13 3.823 14.732 -5.631 1.00 73.23 H new ATOM 0 HE3 TRP A 13 -0.607 12.428 -3.761 1.00 54.34 H new ATOM 0 HZ2 TRP A 13 2.151 13.726 -7.667 1.00 33.50 H new ATOM 0 HZ3 TRP A 13 -1.404 11.936 -6.062 1.00 52.24 H new ATOM 0 HH2 TRP A 13 -0.009 12.563 -8.022 1.00 21.02 H new ATOM 208 N TYR A 14 -0.350 15.218 0.494 1.00 74.13 N ATOM 209 CA TYR A 14 -0.972 15.102 1.817 1.00 14.30 C ATOM 210 C TYR A 14 -2.109 14.080 1.832 1.00 42.23 C ATOM 211 O TYR A 14 -2.930 14.046 0.922 1.00 21.41 O ATOM 212 CB TYR A 14 -1.541 16.477 2.200 1.00 53.01 C ATOM 213 CG TYR A 14 -0.564 17.271 3.034 1.00 12.22 C ATOM 214 CD1 TYR A 14 0.813 17.182 2.804 1.00 74.31 C ATOM 215 CD2 TYR A 14 -1.050 18.100 4.046 1.00 43.30 C ATOM 216 CE1 TYR A 14 1.699 17.923 3.589 1.00 32.41 C ATOM 217 CE2 TYR A 14 -0.166 18.840 4.833 1.00 54.42 C ATOM 218 CZ TYR A 14 1.212 18.753 4.605 1.00 13.21 C ATOM 219 OH TYR A 14 2.088 19.483 5.382 1.00 23.02 O ATOM 0 H TYR A 14 -0.923 15.690 -0.206 1.00 74.13 H new ATOM 0 HA TYR A 14 -0.213 14.766 2.524 1.00 14.30 H new ATOM 0 HB2 TYR A 14 -1.786 17.035 1.296 1.00 53.01 H new ATOM 0 HB3 TYR A 14 -2.470 16.345 2.754 1.00 53.01 H new ATOM 0 HD1 TYR A 14 1.190 16.541 2.021 1.00 74.31 H new ATOM 0 HD2 TYR A 14 -2.114 18.169 4.221 1.00 43.30 H new ATOM 0 HE1 TYR A 14 2.762 17.855 3.412 1.00 32.41 H new ATOM 0 HE2 TYR A 14 -0.545 19.479 5.617 1.00 54.42 H new ATOM 0 HH TYR A 14 1.584 20.007 6.039 1.00 23.02 H new ATOM 229 N VAL A 15 -2.157 13.276 2.896 1.00 41.03 N ATOM 230 CA VAL A 15 -3.211 12.273 3.073 1.00 72.21 C ATOM 231 C VAL A 15 -4.013 12.625 4.327 1.00 0.23 C ATOM 232 O VAL A 15 -3.564 12.355 5.442 1.00 51.34 O ATOM 233 CB VAL A 15 -2.586 10.872 3.237 1.00 3.21 C ATOM 234 CG1 VAL A 15 -3.598 9.909 3.872 1.00 33.22 C ATOM 235 CG2 VAL A 15 -2.177 10.330 1.867 1.00 50.42 C ATOM 0 H VAL A 15 -1.474 13.300 3.653 1.00 41.03 H new ATOM 0 HA VAL A 15 -3.862 12.266 2.199 1.00 72.21 H new ATOM 0 HB VAL A 15 -1.712 10.953 3.883 1.00 3.21 H new ATOM 0 HG11 VAL A 15 -3.144 8.924 3.982 1.00 33.22 H new ATOM 0 HG12 VAL A 15 -3.892 10.284 4.852 1.00 33.22 H new ATOM 0 HG13 VAL A 15 -4.478 9.833 3.234 1.00 33.22 H new ATOM 0 HG21 VAL A 15 -1.736 9.340 1.984 1.00 50.42 H new ATOM 0 HG22 VAL A 15 -3.056 10.262 1.226 1.00 50.42 H new ATOM 0 HG23 VAL A 15 -1.448 11.001 1.413 1.00 50.42 H new ATOM 245 N VAL A 16 -5.188 13.245 4.157 1.00 62.33 N ATOM 246 CA VAL A 16 -6.001 13.629 5.317 1.00 72.41 C ATOM 247 C VAL A 16 -7.240 12.765 5.465 1.00 31.20 C ATOM 248 O VAL A 16 -8.137 13.101 6.237 1.00 13.12 O ATOM 249 CB VAL A 16 -6.445 15.093 5.250 1.00 21.42 C ATOM 250 CG1 VAL A 16 -5.271 16.014 4.855 1.00 3.33 C ATOM 251 CG2 VAL A 16 -7.586 15.244 4.231 1.00 54.51 C ATOM 0 H VAL A 16 -5.589 13.487 3.251 1.00 62.33 H new ATOM 0 HA VAL A 16 -5.353 13.482 6.181 1.00 72.41 H new ATOM 0 HB VAL A 16 -6.794 15.388 6.240 1.00 21.42 H new ATOM 0 HG11 VAL A 16 -5.616 17.047 4.815 1.00 3.33 H new ATOM 0 HG12 VAL A 16 -4.475 15.926 5.594 1.00 3.33 H new ATOM 0 HG13 VAL A 16 -4.892 15.721 3.876 1.00 3.33 H new ATOM 0 HG21 VAL A 16 -7.899 16.287 4.187 1.00 54.51 H new ATOM 0 HG22 VAL A 16 -7.240 14.927 3.247 1.00 54.51 H new ATOM 0 HG23 VAL A 16 -8.430 14.625 4.535 1.00 54.51 H new ATOM 261 N ALA A 17 -7.274 11.629 4.798 1.00 34.34 N ATOM 262 CA ALA A 17 -8.409 10.738 4.979 1.00 60.14 C ATOM 263 C ALA A 17 -8.200 9.451 4.213 1.00 60.40 C ATOM 264 O ALA A 17 -7.740 9.468 3.074 1.00 31.13 O ATOM 265 CB ALA A 17 -9.681 11.440 4.493 1.00 12.25 C ATOM 0 H ALA A 17 -6.558 11.306 4.147 1.00 34.34 H new ATOM 0 HA ALA A 17 -8.508 10.493 6.036 1.00 60.14 H new ATOM 0 HB1 ALA A 17 -10.536 10.777 4.626 1.00 12.25 H new ATOM 0 HB2 ALA A 17 -9.836 12.352 5.069 1.00 12.25 H new ATOM 0 HB3 ALA A 17 -9.577 11.691 3.437 1.00 12.25 H new ATOM 271 N LEU A 18 -8.496 8.323 4.857 1.00 51.42 N ATOM 272 CA LEU A 18 -8.291 7.020 4.246 1.00 23.54 C ATOM 273 C LEU A 18 -9.533 6.147 4.371 1.00 60.12 C ATOM 274 O LEU A 18 -10.490 6.485 5.069 1.00 33.43 O ATOM 275 CB LEU A 18 -7.087 6.318 4.886 1.00 74.34 C ATOM 276 CG LEU A 18 -7.040 6.586 6.400 1.00 63.33 C ATOM 277 CD1 LEU A 18 -6.677 8.058 6.694 1.00 72.33 C ATOM 278 CD2 LEU A 18 -8.397 6.239 7.031 1.00 63.20 C ATOM 0 H LEU A 18 -8.879 8.290 5.802 1.00 51.42 H new ATOM 0 HA LEU A 18 -8.093 7.175 3.185 1.00 23.54 H new ATOM 0 HB2 LEU A 18 -7.147 5.245 4.704 1.00 74.34 H new ATOM 0 HB3 LEU A 18 -6.166 6.670 4.421 1.00 74.34 H new ATOM 0 HG LEU A 18 -6.266 5.955 6.837 1.00 63.33 H new ATOM 0 HD11 LEU A 18 -6.651 8.218 7.772 1.00 72.33 H new ATOM 0 HD12 LEU A 18 -5.698 8.283 6.270 1.00 72.33 H new ATOM 0 HD13 LEU A 18 -7.425 8.713 6.248 1.00 72.33 H new ATOM 0 HD21 LEU A 18 -8.359 6.430 8.103 1.00 63.20 H new ATOM 0 HD22 LEU A 18 -9.176 6.854 6.580 1.00 63.20 H new ATOM 0 HD23 LEU A 18 -8.620 5.186 6.858 1.00 63.20 H new ATOM 290 N ALA A 19 -9.494 5.009 3.689 1.00 2.54 N ATOM 291 CA ALA A 19 -10.601 4.061 3.720 1.00 10.24 C ATOM 292 C ALA A 19 -10.060 2.634 3.711 1.00 23.52 C ATOM 293 O ALA A 19 -9.096 2.328 3.010 1.00 62.10 O ATOM 294 CB ALA A 19 -11.523 4.293 2.517 1.00 30.45 C ATOM 0 H ALA A 19 -8.707 4.720 3.107 1.00 2.54 H new ATOM 0 HA ALA A 19 -11.177 4.211 4.633 1.00 10.24 H new ATOM 0 HB1 ALA A 19 -12.347 3.581 2.548 1.00 30.45 H new ATOM 0 HB2 ALA A 19 -11.919 5.308 2.552 1.00 30.45 H new ATOM 0 HB3 ALA A 19 -10.959 4.156 1.594 1.00 30.45 H new ATOM 300 N SER A 20 -10.684 1.771 4.499 1.00 42.23 N ATOM 301 CA SER A 20 -10.256 0.382 4.584 1.00 35.53 C ATOM 302 C SER A 20 -11.285 -0.448 5.327 1.00 31.33 C ATOM 303 O SER A 20 -12.306 0.065 5.784 1.00 5.13 O ATOM 304 CB SER A 20 -8.909 0.294 5.299 1.00 13.14 C ATOM 305 OG SER A 20 -8.374 -1.012 5.130 1.00 70.33 O ATOM 0 H SER A 20 -11.484 2.006 5.086 1.00 42.23 H new ATOM 0 HA SER A 20 -10.154 -0.011 3.572 1.00 35.53 H new ATOM 0 HB2 SER A 20 -8.221 1.037 4.896 1.00 13.14 H new ATOM 0 HB3 SER A 20 -9.032 0.515 6.359 1.00 13.14 H new ATOM 0 HG SER A 20 -7.408 -0.952 4.974 1.00 70.33 H new ATOM 311 N ASN A 21 -10.999 -1.734 5.452 1.00 11.21 N ATOM 312 CA ASN A 21 -11.891 -2.650 6.156 1.00 44.23 C ATOM 313 C ASN A 21 -11.087 -3.543 7.094 1.00 1.34 C ATOM 314 O ASN A 21 -11.644 -4.173 7.992 1.00 4.14 O ATOM 315 CB ASN A 21 -12.652 -3.515 5.155 1.00 51.14 C ATOM 316 CG ASN A 21 -13.243 -2.643 4.052 1.00 72.55 C ATOM 317 OD1 ASN A 21 -13.251 -3.078 2.823 1.00 62.11 O flip ATOM 318 ND2 ASN A 21 -13.710 -1.535 4.319 1.00 13.24 N flip ATOM 0 H ASN A 21 -10.157 -2.170 5.076 1.00 11.21 H new ATOM 0 HA ASN A 21 -12.603 -2.066 6.738 1.00 44.23 H new ATOM 0 HB2 ASN A 21 -11.983 -4.258 4.722 1.00 51.14 H new ATOM 0 HB3 ASN A 21 -13.447 -4.060 5.664 1.00 51.14 H new ATOM 0 HD21 ASN A 21 -13.703 -1.197 5.281 1.00 13.24 H new ATOM 0 HD22 ASN A 21 -14.104 -0.956 3.578 1.00 13.24 H new ATOM 325 N THR A 22 -9.769 -3.572 6.899 1.00 43.11 N ATOM 326 CA THR A 22 -8.909 -4.371 7.760 1.00 32.01 C ATOM 327 C THR A 22 -8.788 -3.669 9.103 1.00 3.33 C ATOM 328 O THR A 22 -8.222 -2.581 9.199 1.00 0.11 O ATOM 329 CB THR A 22 -7.529 -4.554 7.123 1.00 31.34 C ATOM 330 OG1 THR A 22 -6.722 -5.351 7.978 1.00 44.33 O ATOM 331 CG2 THR A 22 -6.862 -3.192 6.916 1.00 72.41 C ATOM 0 H THR A 22 -9.283 -3.059 6.164 1.00 43.11 H new ATOM 0 HA THR A 22 -9.343 -5.361 7.898 1.00 32.01 H new ATOM 0 HB THR A 22 -7.641 -5.045 6.156 1.00 31.34 H new ATOM 0 HG1 THR A 22 -6.394 -4.804 8.722 1.00 44.33 H new ATOM 0 HG21 THR A 22 -5.881 -3.333 6.462 1.00 72.41 H new ATOM 0 HG22 THR A 22 -7.481 -2.580 6.260 1.00 72.41 H new ATOM 0 HG23 THR A 22 -6.749 -2.692 7.878 1.00 72.41 H new ATOM 339 N GLU A 23 -9.368 -4.276 10.126 1.00 2.14 N ATOM 340 CA GLU A 23 -9.372 -3.680 11.454 1.00 3.35 C ATOM 341 C GLU A 23 -7.988 -3.263 11.918 1.00 3.02 C ATOM 342 O GLU A 23 -7.835 -2.217 12.542 1.00 70.02 O ATOM 343 CB GLU A 23 -9.981 -4.654 12.464 1.00 0.31 C ATOM 344 CG GLU A 23 -11.429 -4.957 12.075 1.00 73.34 C ATOM 345 CD GLU A 23 -12.285 -3.705 12.233 1.00 53.24 C ATOM 346 OE1 GLU A 23 -11.834 -2.781 12.888 1.00 14.20 O ATOM 347 OE2 GLU A 23 -13.381 -3.689 11.696 1.00 45.50 O ATOM 0 H GLU A 23 -9.841 -5.178 10.064 1.00 2.14 H new ATOM 0 HA GLU A 23 -9.977 -2.776 11.391 1.00 3.35 H new ATOM 0 HB2 GLU A 23 -9.400 -5.576 12.491 1.00 0.31 H new ATOM 0 HB3 GLU A 23 -9.945 -4.225 13.465 1.00 0.31 H new ATOM 0 HG2 GLU A 23 -11.471 -5.309 11.044 1.00 73.34 H new ATOM 0 HG3 GLU A 23 -11.822 -5.758 12.701 1.00 73.34 H new ATOM 354 N PHE A 24 -6.987 -4.073 11.644 1.00 41.22 N ATOM 355 CA PHE A 24 -5.644 -3.742 12.092 1.00 22.23 C ATOM 356 C PHE A 24 -5.283 -2.302 11.719 1.00 35.01 C ATOM 357 O PHE A 24 -4.895 -1.512 12.578 1.00 51.53 O ATOM 358 CB PHE A 24 -4.627 -4.713 11.466 1.00 70.30 C ATOM 359 CG PHE A 24 -5.314 -6.012 11.110 1.00 23.03 C ATOM 360 CD1 PHE A 24 -6.181 -6.619 12.026 1.00 4.25 C ATOM 361 CD2 PHE A 24 -5.087 -6.606 9.862 1.00 14.33 C ATOM 362 CE1 PHE A 24 -6.820 -7.820 11.695 1.00 11.11 C ATOM 363 CE2 PHE A 24 -5.725 -7.808 9.532 1.00 14.24 C ATOM 364 CZ PHE A 24 -6.592 -8.414 10.448 1.00 5.12 C ATOM 0 H PHE A 24 -7.070 -4.947 11.125 1.00 41.22 H new ATOM 0 HA PHE A 24 -5.613 -3.835 13.178 1.00 22.23 H new ATOM 0 HB2 PHE A 24 -4.186 -4.268 10.574 1.00 70.30 H new ATOM 0 HB3 PHE A 24 -3.812 -4.901 12.165 1.00 70.30 H new ATOM 0 HD1 PHE A 24 -6.357 -6.161 12.988 1.00 4.25 H new ATOM 0 HD2 PHE A 24 -4.420 -6.137 9.154 1.00 14.33 H new ATOM 0 HE1 PHE A 24 -7.489 -8.288 12.402 1.00 11.11 H new ATOM 0 HE2 PHE A 24 -5.548 -8.267 8.571 1.00 14.24 H new ATOM 0 HZ PHE A 24 -7.085 -9.340 10.193 1.00 5.12 H new ATOM 374 N PHE A 25 -5.392 -1.975 10.437 1.00 0.32 N ATOM 375 CA PHE A 25 -5.051 -0.629 9.966 1.00 54.32 C ATOM 376 C PHE A 25 -6.141 0.388 10.284 1.00 63.11 C ATOM 377 O PHE A 25 -5.861 1.494 10.744 1.00 71.03 O ATOM 378 CB PHE A 25 -4.792 -0.643 8.456 1.00 52.15 C ATOM 379 CG PHE A 25 -3.931 -1.831 8.053 1.00 13.41 C ATOM 380 CD1 PHE A 25 -3.126 -2.516 8.987 1.00 62.14 C ATOM 381 CD2 PHE A 25 -3.947 -2.251 6.717 1.00 41.51 C ATOM 382 CE1 PHE A 25 -2.352 -3.608 8.575 1.00 52.35 C ATOM 383 CE2 PHE A 25 -3.174 -3.344 6.313 1.00 62.22 C ATOM 384 CZ PHE A 25 -2.377 -4.022 7.241 1.00 40.32 C ATOM 0 H PHE A 25 -5.710 -2.613 9.708 1.00 0.32 H new ATOM 0 HA PHE A 25 -4.147 -0.327 10.495 1.00 54.32 H new ATOM 0 HB2 PHE A 25 -5.742 -0.682 7.922 1.00 52.15 H new ATOM 0 HB3 PHE A 25 -4.298 0.283 8.161 1.00 52.15 H new ATOM 0 HD1 PHE A 25 -3.107 -2.199 10.019 1.00 62.14 H new ATOM 0 HD2 PHE A 25 -4.559 -1.729 5.996 1.00 41.51 H new ATOM 0 HE1 PHE A 25 -1.734 -4.131 9.290 1.00 52.35 H new ATOM 0 HE2 PHE A 25 -3.192 -3.665 5.282 1.00 62.22 H new ATOM 0 HZ PHE A 25 -1.781 -4.866 6.926 1.00 40.32 H new ATOM 394 N LEU A 26 -7.382 -0.001 10.047 1.00 21.02 N ATOM 395 CA LEU A 26 -8.518 0.873 10.311 1.00 63.53 C ATOM 396 C LEU A 26 -8.539 1.241 11.790 1.00 11.03 C ATOM 397 O LEU A 26 -8.929 2.345 12.179 1.00 61.20 O ATOM 398 CB LEU A 26 -9.796 0.138 9.906 1.00 52.22 C ATOM 399 CG LEU A 26 -11.038 0.956 10.249 1.00 62.41 C ATOM 400 CD1 LEU A 26 -10.988 2.310 9.530 1.00 73.21 C ATOM 401 CD2 LEU A 26 -12.269 0.169 9.788 1.00 44.03 C ATOM 0 H LEU A 26 -7.631 -0.916 9.672 1.00 21.02 H new ATOM 0 HA LEU A 26 -8.441 1.795 9.735 1.00 63.53 H new ATOM 0 HB2 LEU A 26 -9.777 -0.067 8.836 1.00 52.22 H new ATOM 0 HB3 LEU A 26 -9.841 -0.825 10.414 1.00 52.22 H new ATOM 0 HG LEU A 26 -11.084 1.136 11.323 1.00 62.41 H new ATOM 0 HD11 LEU A 26 -11.878 2.888 9.780 1.00 73.21 H new ATOM 0 HD12 LEU A 26 -10.100 2.857 9.846 1.00 73.21 H new ATOM 0 HD13 LEU A 26 -10.951 2.149 8.453 1.00 73.21 H new ATOM 0 HD21 LEU A 26 -13.171 0.734 10.023 1.00 44.03 H new ATOM 0 HD22 LEU A 26 -12.214 0.004 8.712 1.00 44.03 H new ATOM 0 HD23 LEU A 26 -12.299 -0.792 10.301 1.00 44.03 H new ATOM 413 N ARG A 27 -8.075 0.298 12.593 1.00 34.31 N ATOM 414 CA ARG A 27 -7.998 0.498 14.032 1.00 64.24 C ATOM 415 C ARG A 27 -7.011 1.616 14.352 1.00 42.00 C ATOM 416 O ARG A 27 -7.298 2.495 15.165 1.00 31.12 O ATOM 417 CB ARG A 27 -7.564 -0.795 14.733 1.00 2.41 C ATOM 418 CG ARG A 27 -7.287 -0.515 16.214 1.00 70.22 C ATOM 419 CD ARG A 27 -7.162 -1.841 16.968 1.00 70.01 C ATOM 420 NE ARG A 27 -6.864 -1.594 18.375 1.00 72.51 N ATOM 421 CZ ARG A 27 -7.820 -1.242 19.228 1.00 34.33 C ATOM 422 NH1 ARG A 27 -9.050 -1.111 18.813 1.00 31.40 N ATOM 423 NH2 ARG A 27 -7.529 -1.028 20.482 1.00 3.13 N ATOM 0 H ARG A 27 -7.746 -0.613 12.274 1.00 34.31 H new ATOM 0 HA ARG A 27 -8.987 0.777 14.395 1.00 64.24 H new ATOM 0 HB2 ARG A 27 -8.343 -1.551 14.636 1.00 2.41 H new ATOM 0 HB3 ARG A 27 -6.670 -1.196 14.256 1.00 2.41 H new ATOM 0 HG2 ARG A 27 -6.370 0.064 16.320 1.00 70.22 H new ATOM 0 HG3 ARG A 27 -8.093 0.083 16.639 1.00 70.22 H new ATOM 0 HD2 ARG A 27 -8.089 -2.407 16.879 1.00 70.01 H new ATOM 0 HD3 ARG A 27 -6.374 -2.448 16.523 1.00 70.01 H new ATOM 0 HE ARG A 27 -5.905 -1.693 18.709 1.00 72.51 H new ATOM 0 HH11 ARG A 27 -9.278 -1.279 17.833 1.00 31.40 H new ATOM 0 HH12 ARG A 27 -9.783 -0.841 19.468 1.00 31.40 H new ATOM 0 HH21 ARG A 27 -6.568 -1.131 20.807 1.00 3.13 H new ATOM 0 HH22 ARG A 27 -8.263 -0.758 21.137 1.00 3.13 H new ATOM 437 N GLU A 28 -5.830 1.559 13.737 1.00 5.50 N ATOM 438 CA GLU A 28 -4.798 2.557 14.004 1.00 33.24 C ATOM 439 C GLU A 28 -4.984 3.852 13.206 1.00 71.42 C ATOM 440 O GLU A 28 -4.830 4.941 13.758 1.00 32.40 O ATOM 441 CB GLU A 28 -3.424 1.965 13.682 1.00 23.30 C ATOM 442 CG GLU A 28 -3.142 0.791 14.621 1.00 55.42 C ATOM 443 CD GLU A 28 -1.754 0.224 14.343 1.00 64.12 C ATOM 444 OE1 GLU A 28 -1.169 0.607 13.343 1.00 61.43 O ATOM 445 OE2 GLU A 28 -1.296 -0.585 15.134 1.00 2.21 O ATOM 0 H GLU A 28 -5.567 0.843 13.060 1.00 5.50 H new ATOM 0 HA GLU A 28 -4.879 2.817 15.059 1.00 33.24 H new ATOM 0 HB2 GLU A 28 -3.394 1.630 12.645 1.00 23.30 H new ATOM 0 HB3 GLU A 28 -2.653 2.727 13.793 1.00 23.30 H new ATOM 0 HG2 GLU A 28 -3.209 1.120 15.658 1.00 55.42 H new ATOM 0 HG3 GLU A 28 -3.895 0.015 14.483 1.00 55.42 H new ATOM 452 N LYS A 29 -5.311 3.777 11.918 1.00 54.40 N ATOM 453 CA LYS A 29 -5.472 4.998 11.146 1.00 72.22 C ATOM 454 C LYS A 29 -6.407 5.956 11.865 1.00 72.23 C ATOM 455 O LYS A 29 -6.222 7.172 11.822 1.00 31.44 O ATOM 456 CB LYS A 29 -6.004 4.656 9.744 1.00 44.31 C ATOM 457 CG LYS A 29 -4.832 4.260 8.806 1.00 41.12 C ATOM 458 CD LYS A 29 -5.192 3.018 7.974 1.00 62.35 C ATOM 459 CE LYS A 29 -6.362 3.312 7.033 1.00 13.32 C ATOM 460 NZ LYS A 29 -7.017 2.029 6.653 1.00 1.14 N ATOM 0 H LYS A 29 -5.465 2.910 11.403 1.00 54.40 H new ATOM 0 HA LYS A 29 -4.505 5.489 11.041 1.00 72.22 H new ATOM 0 HB2 LYS A 29 -6.720 3.837 9.809 1.00 44.31 H new ATOM 0 HB3 LYS A 29 -6.537 5.512 9.331 1.00 44.31 H new ATOM 0 HG2 LYS A 29 -4.595 5.091 8.142 1.00 41.12 H new ATOM 0 HG3 LYS A 29 -3.939 4.060 9.398 1.00 41.12 H new ATOM 0 HD2 LYS A 29 -4.325 2.700 7.395 1.00 62.35 H new ATOM 0 HD3 LYS A 29 -5.452 2.193 8.638 1.00 62.35 H new ATOM 0 HE2 LYS A 29 -7.080 3.971 7.521 1.00 13.32 H new ATOM 0 HE3 LYS A 29 -6.007 3.831 6.143 1.00 13.32 H new ATOM 0 HZ1 LYS A 29 -8.028 2.195 6.472 1.00 1.14 H new ATOM 0 HZ2 LYS A 29 -6.569 1.652 5.793 1.00 1.14 H new ATOM 0 HZ3 LYS A 29 -6.912 1.343 7.428 1.00 1.14 H new ATOM 474 N ASP A 30 -7.416 5.402 12.514 1.00 33.00 N ATOM 475 CA ASP A 30 -8.380 6.218 13.229 1.00 41.25 C ATOM 476 C ASP A 30 -7.730 7.085 14.316 1.00 2.31 C ATOM 477 O ASP A 30 -8.335 8.069 14.743 1.00 35.44 O ATOM 478 CB ASP A 30 -9.439 5.320 13.868 1.00 52.12 C ATOM 479 CG ASP A 30 -10.573 6.170 14.430 1.00 24.34 C ATOM 480 OD1 ASP A 30 -10.553 7.370 14.210 1.00 61.04 O ATOM 481 OD2 ASP A 30 -11.444 5.609 15.074 1.00 72.24 O ATOM 0 H ASP A 30 -7.588 4.398 12.561 1.00 33.00 H new ATOM 0 HA ASP A 30 -8.834 6.890 12.501 1.00 41.25 H new ATOM 0 HB2 ASP A 30 -9.829 4.621 13.128 1.00 52.12 H new ATOM 0 HB3 ASP A 30 -8.991 4.725 14.664 1.00 52.12 H new ATOM 486 N LYS A 31 -6.526 6.719 14.806 1.00 31.25 N ATOM 487 CA LYS A 31 -5.899 7.509 15.886 1.00 54.12 C ATOM 488 C LYS A 31 -4.680 8.343 15.474 1.00 54.22 C ATOM 489 O LYS A 31 -4.249 9.194 16.254 1.00 3.21 O ATOM 490 CB LYS A 31 -5.559 6.616 17.099 1.00 62.31 C ATOM 491 CG LYS A 31 -4.388 5.663 16.804 1.00 23.21 C ATOM 492 CD LYS A 31 -3.020 6.385 16.936 1.00 52.31 C ATOM 493 CE LYS A 31 -2.282 6.403 15.586 1.00 1.21 C ATOM 494 NZ LYS A 31 -1.511 5.138 15.427 1.00 41.14 N ATOM 0 H LYS A 31 -5.987 5.914 14.486 1.00 31.25 H new ATOM 0 HA LYS A 31 -6.659 8.241 16.161 1.00 54.12 H new ATOM 0 HB2 LYS A 31 -5.308 7.245 17.953 1.00 62.31 H new ATOM 0 HB3 LYS A 31 -6.438 6.035 17.379 1.00 62.31 H new ATOM 0 HG2 LYS A 31 -4.423 4.818 17.492 1.00 23.21 H new ATOM 0 HG3 LYS A 31 -4.491 5.258 15.797 1.00 23.21 H new ATOM 0 HD2 LYS A 31 -3.174 7.406 17.285 1.00 52.31 H new ATOM 0 HD3 LYS A 31 -2.408 5.881 17.684 1.00 52.31 H new ATOM 0 HE2 LYS A 31 -2.996 6.512 14.770 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -1.610 7.260 15.538 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -0.734 5.288 14.752 1.00 41.14 H new ATOM 0 HZ2 LYS A 31 -1.120 4.852 16.347 1.00 41.14 H new ATOM 0 HZ3 LYS A 31 -2.140 4.391 15.070 1.00 41.14 H new ATOM 508 N MET A 32 -4.101 8.140 14.291 1.00 3.13 N ATOM 509 CA MET A 32 -2.924 8.953 13.926 1.00 21.14 C ATOM 510 C MET A 32 -3.336 10.316 13.412 1.00 15.43 C ATOM 511 O MET A 32 -4.511 10.680 13.436 1.00 32.15 O ATOM 512 CB MET A 32 -2.040 8.264 12.868 1.00 15.31 C ATOM 513 CG MET A 32 -2.872 7.818 11.659 1.00 0.23 C ATOM 514 SD MET A 32 -2.044 6.418 10.858 1.00 61.54 S ATOM 515 CE MET A 32 -2.256 5.226 12.203 1.00 4.52 C ATOM 0 H MET A 32 -4.402 7.458 13.595 1.00 3.13 H new ATOM 0 HA MET A 32 -2.342 9.067 14.840 1.00 21.14 H new ATOM 0 HB2 MET A 32 -1.257 8.949 12.542 1.00 15.31 H new ATOM 0 HB3 MET A 32 -1.544 7.400 13.311 1.00 15.31 H new ATOM 0 HG2 MET A 32 -3.874 7.531 11.977 1.00 0.23 H new ATOM 0 HG3 MET A 32 -2.985 8.642 10.955 1.00 0.23 H new ATOM 0 HE1 MET A 32 -1.296 5.049 12.687 1.00 4.52 H new ATOM 0 HE2 MET A 32 -2.963 5.622 12.932 1.00 4.52 H new ATOM 0 HE3 MET A 32 -2.637 4.288 11.801 1.00 4.52 H new ATOM 525 N LYS A 33 -2.349 11.063 12.925 1.00 23.10 N ATOM 526 CA LYS A 33 -2.586 12.386 12.371 1.00 64.13 C ATOM 527 C LYS A 33 -2.369 12.330 10.865 1.00 15.40 C ATOM 528 O LYS A 33 -1.992 11.288 10.330 1.00 72.35 O ATOM 529 CB LYS A 33 -1.627 13.402 12.997 1.00 2.42 C ATOM 530 CG LYS A 33 -1.603 13.222 14.518 1.00 12.41 C ATOM 531 CD LYS A 33 -2.995 13.505 15.093 1.00 21.25 C ATOM 532 CE LYS A 33 -2.889 13.730 16.603 1.00 3.31 C ATOM 533 NZ LYS A 33 -1.963 12.721 17.192 1.00 43.44 N ATOM 0 H LYS A 33 -1.372 10.769 12.905 1.00 23.10 H new ATOM 0 HA LYS A 33 -3.608 12.696 12.589 1.00 64.13 H new ATOM 0 HB2 LYS A 33 -0.625 13.269 12.590 1.00 2.42 H new ATOM 0 HB3 LYS A 33 -1.941 14.415 12.746 1.00 2.42 H new ATOM 0 HG2 LYS A 33 -1.295 12.207 14.769 1.00 12.41 H new ATOM 0 HG3 LYS A 33 -0.871 13.897 14.962 1.00 12.41 H new ATOM 0 HD2 LYS A 33 -3.426 14.384 14.613 1.00 21.25 H new ATOM 0 HD3 LYS A 33 -3.663 12.669 14.885 1.00 21.25 H new ATOM 0 HE2 LYS A 33 -2.524 14.737 16.807 1.00 3.31 H new ATOM 0 HE3 LYS A 33 -3.874 13.648 17.064 1.00 3.31 H new ATOM 0 HZ1 LYS A 33 -2.163 12.617 18.207 1.00 43.44 H new ATOM 0 HZ2 LYS A 33 -2.099 11.806 16.717 1.00 43.44 H new ATOM 0 HZ3 LYS A 33 -0.980 13.035 17.063 1.00 43.44 H new ATOM 547 N MET A 34 -2.618 13.430 10.180 1.00 63.34 N ATOM 548 CA MET A 34 -2.460 13.468 8.736 1.00 60.14 C ATOM 549 C MET A 34 -1.019 13.117 8.348 1.00 3.33 C ATOM 550 O MET A 34 -0.083 13.378 9.104 1.00 50.40 O ATOM 551 CB MET A 34 -2.778 14.887 8.295 1.00 71.44 C ATOM 552 CG MET A 34 -2.597 15.053 6.782 1.00 52.31 C ATOM 553 SD MET A 34 -2.187 16.774 6.400 1.00 32.54 S ATOM 554 CE MET A 34 -3.254 17.596 7.611 1.00 61.01 C ATOM 0 H MET A 34 -2.930 14.307 10.597 1.00 63.34 H new ATOM 0 HA MET A 34 -3.121 12.746 8.257 1.00 60.14 H new ATOM 0 HB2 MET A 34 -3.803 15.135 8.570 1.00 71.44 H new ATOM 0 HB3 MET A 34 -2.129 15.588 8.820 1.00 71.44 H new ATOM 0 HG2 MET A 34 -1.806 14.393 6.426 1.00 52.31 H new ATOM 0 HG3 MET A 34 -3.511 14.763 6.263 1.00 52.31 H new ATOM 0 HE1 MET A 34 -3.388 18.640 7.328 1.00 61.01 H new ATOM 0 HE2 MET A 34 -4.224 17.100 7.637 1.00 61.01 H new ATOM 0 HE3 MET A 34 -2.793 17.543 8.597 1.00 61.01 H new ATOM 564 N ALA A 35 -0.849 12.520 7.162 1.00 31.44 N ATOM 565 CA ALA A 35 0.478 12.131 6.678 1.00 13.12 C ATOM 566 C ALA A 35 0.900 12.977 5.474 1.00 2.12 C ATOM 567 O ALA A 35 0.072 13.620 4.830 1.00 15.31 O ATOM 568 CB ALA A 35 0.469 10.650 6.285 1.00 24.32 C ATOM 0 H ALA A 35 -1.612 12.297 6.523 1.00 31.44 H new ATOM 0 HA ALA A 35 1.195 12.298 7.482 1.00 13.12 H new ATOM 0 HB1 ALA A 35 1.457 10.363 5.925 1.00 24.32 H new ATOM 0 HB2 ALA A 35 0.209 10.045 7.153 1.00 24.32 H new ATOM 0 HB3 ALA A 35 -0.266 10.487 5.496 1.00 24.32 H new ATOM 574 N MET A 36 2.206 12.977 5.192 1.00 54.54 N ATOM 575 CA MET A 36 2.767 13.752 4.082 1.00 11.34 C ATOM 576 C MET A 36 3.694 12.870 3.233 1.00 63.31 C ATOM 577 O MET A 36 4.215 11.862 3.709 1.00 74.32 O ATOM 578 CB MET A 36 3.556 14.960 4.635 1.00 15.23 C ATOM 579 CG MET A 36 3.657 14.887 6.166 1.00 64.12 C ATOM 580 SD MET A 36 2.042 15.246 6.903 1.00 62.31 S ATOM 581 CE MET A 36 2.222 17.042 7.011 1.00 14.11 C ATOM 0 H MET A 36 2.898 12.446 5.721 1.00 54.54 H new ATOM 0 HA MET A 36 1.951 14.111 3.455 1.00 11.34 H new ATOM 0 HB2 MET A 36 4.555 14.978 4.200 1.00 15.23 H new ATOM 0 HB3 MET A 36 3.064 15.887 4.342 1.00 15.23 H new ATOM 0 HG2 MET A 36 3.994 13.896 6.471 1.00 64.12 H new ATOM 0 HG3 MET A 36 4.398 15.601 6.526 1.00 64.12 H new ATOM 0 HE1 MET A 36 1.245 17.513 6.904 1.00 14.11 H new ATOM 0 HE2 MET A 36 2.649 17.307 7.978 1.00 14.11 H new ATOM 0 HE3 MET A 36 2.881 17.390 6.216 1.00 14.11 H new ATOM 591 N ALA A 37 3.875 13.247 1.964 1.00 13.23 N ATOM 592 CA ALA A 37 4.724 12.463 1.061 1.00 53.14 C ATOM 593 C ALA A 37 5.256 13.294 -0.116 1.00 0.13 C ATOM 594 O ALA A 37 4.734 14.355 -0.426 1.00 62.44 O ATOM 595 CB ALA A 37 3.926 11.267 0.541 1.00 24.12 C ATOM 0 H ALA A 37 3.454 14.075 1.544 1.00 13.23 H new ATOM 0 HA ALA A 37 5.593 12.125 1.626 1.00 53.14 H new ATOM 0 HB1 ALA A 37 4.550 10.678 -0.132 1.00 24.12 H new ATOM 0 HB2 ALA A 37 3.611 10.647 1.380 1.00 24.12 H new ATOM 0 HB3 ALA A 37 3.047 11.622 0.003 1.00 24.12 H new ATOM 601 N ARG A 38 6.299 12.779 -0.773 1.00 20.53 N ATOM 602 CA ARG A 38 6.905 13.453 -1.934 1.00 4.52 C ATOM 603 C ARG A 38 7.050 12.445 -3.075 1.00 71.21 C ATOM 604 O ARG A 38 7.479 11.318 -2.835 1.00 22.01 O ATOM 605 CB ARG A 38 8.283 14.007 -1.549 1.00 0.11 C ATOM 606 CG ARG A 38 9.058 14.412 -2.810 1.00 71.03 C ATOM 607 CD ARG A 38 10.167 15.399 -2.440 1.00 41.44 C ATOM 608 NE ARG A 38 11.052 14.812 -1.440 1.00 61.12 N ATOM 609 CZ ARG A 38 11.898 13.838 -1.758 1.00 43.41 C ATOM 610 NH1 ARG A 38 11.947 13.390 -2.982 1.00 1.43 N ATOM 611 NH2 ARG A 38 12.680 13.330 -0.845 1.00 55.23 N ATOM 0 H ARG A 38 6.745 11.896 -0.523 1.00 20.53 H new ATOM 0 HA ARG A 38 6.270 14.279 -2.254 1.00 4.52 H new ATOM 0 HB2 ARG A 38 8.167 14.869 -0.891 1.00 0.11 H new ATOM 0 HB3 ARG A 38 8.844 13.255 -0.993 1.00 0.11 H new ATOM 0 HG2 ARG A 38 9.487 13.529 -3.284 1.00 71.03 H new ATOM 0 HG3 ARG A 38 8.381 14.865 -3.534 1.00 71.03 H new ATOM 0 HD2 ARG A 38 10.738 15.666 -3.329 1.00 41.44 H new ATOM 0 HD3 ARG A 38 9.730 16.320 -2.054 1.00 41.44 H new ATOM 0 HE ARG A 38 11.021 15.155 -0.480 1.00 61.12 H new ATOM 0 HH11 ARG A 38 11.336 13.787 -3.695 1.00 1.43 H new ATOM 0 HH12 ARG A 38 12.597 12.642 -3.226 1.00 1.43 H new ATOM 0 HH21 ARG A 38 12.642 13.681 0.112 1.00 55.23 H new ATOM 0 HH22 ARG A 38 13.330 12.582 -1.088 1.00 55.23 H new ATOM 625 N ILE A 39 6.678 12.821 -4.314 1.00 41.21 N ATOM 626 CA ILE A 39 6.747 11.910 -5.461 1.00 15.13 C ATOM 627 C ILE A 39 7.612 12.496 -6.572 1.00 22.01 C ATOM 628 O ILE A 39 7.634 13.709 -6.783 1.00 55.43 O ATOM 629 CB ILE A 39 5.326 11.642 -5.914 1.00 13.54 C ATOM 630 CG1 ILE A 39 5.214 10.513 -6.932 1.00 32.15 C ATOM 631 CG2 ILE A 39 4.752 12.858 -6.524 1.00 62.11 C ATOM 632 CD1 ILE A 39 3.719 10.176 -7.092 1.00 45.13 C ATOM 0 H ILE A 39 6.327 13.751 -4.541 1.00 41.21 H new ATOM 0 HA ILE A 39 7.221 10.969 -5.183 1.00 15.13 H new ATOM 0 HB ILE A 39 4.781 11.344 -5.018 1.00 13.54 H new ATOM 0 HG12 ILE A 39 5.643 10.815 -7.888 1.00 32.15 H new ATOM 0 HG13 ILE A 39 5.770 9.638 -6.596 1.00 32.15 H new ATOM 0 HG21 ILE A 39 3.731 12.656 -6.847 1.00 62.11 H new ATOM 0 HG22 ILE A 39 4.748 13.665 -5.792 1.00 62.11 H new ATOM 0 HG23 ILE A 39 5.353 13.152 -7.385 1.00 62.11 H new ATOM 0 HD11 ILE A 39 3.603 9.369 -7.816 1.00 45.13 H new ATOM 0 HD12 ILE A 39 3.312 9.862 -6.131 1.00 45.13 H new ATOM 0 HD13 ILE A 39 3.183 11.058 -7.443 1.00 45.13 H new ATOM 644 N SER A 40 8.334 11.623 -7.276 1.00 34.35 N ATOM 645 CA SER A 40 9.216 12.050 -8.364 1.00 73.31 C ATOM 646 C SER A 40 9.072 11.112 -9.557 1.00 1.44 C ATOM 647 O SER A 40 8.843 9.914 -9.391 1.00 55.15 O ATOM 648 CB SER A 40 10.672 12.055 -7.878 1.00 71.54 C ATOM 649 OG SER A 40 11.494 11.368 -8.815 1.00 50.44 O ATOM 0 H SER A 40 8.326 10.616 -7.113 1.00 34.35 H new ATOM 0 HA SER A 40 8.935 13.057 -8.673 1.00 73.31 H new ATOM 0 HB2 SER A 40 11.021 13.080 -7.757 1.00 71.54 H new ATOM 0 HB3 SER A 40 10.741 11.577 -6.901 1.00 71.54 H new ATOM 0 HG SER A 40 12.423 11.375 -8.502 1.00 50.44 H new ATOM 655 N PHE A 41 9.184 11.666 -10.764 1.00 70.11 N ATOM 656 CA PHE A 41 9.039 10.867 -11.977 1.00 63.21 C ATOM 657 C PHE A 41 10.376 10.294 -12.453 1.00 41.11 C ATOM 658 O PHE A 41 11.248 11.012 -12.942 1.00 5.24 O ATOM 659 CB PHE A 41 8.417 11.732 -13.091 1.00 33.00 C ATOM 660 CG PHE A 41 6.947 11.402 -13.257 1.00 72.23 C ATOM 661 CD1 PHE A 41 6.128 11.261 -12.130 1.00 0.12 C ATOM 662 CD2 PHE A 41 6.406 11.236 -14.538 1.00 31.51 C ATOM 663 CE1 PHE A 41 4.770 10.954 -12.284 1.00 20.32 C ATOM 664 CE2 PHE A 41 5.049 10.929 -14.692 1.00 11.21 C ATOM 665 CZ PHE A 41 4.231 10.788 -13.565 1.00 3.30 C ATOM 0 H PHE A 41 9.373 12.655 -10.926 1.00 70.11 H new ATOM 0 HA PHE A 41 8.386 10.025 -11.745 1.00 63.21 H new ATOM 0 HB2 PHE A 41 8.534 12.788 -12.848 1.00 33.00 H new ATOM 0 HB3 PHE A 41 8.943 11.560 -14.030 1.00 33.00 H new ATOM 0 HD1 PHE A 41 6.544 11.389 -11.141 1.00 0.12 H new ATOM 0 HD2 PHE A 41 7.036 11.345 -15.408 1.00 31.51 H new ATOM 0 HE1 PHE A 41 4.139 10.845 -11.414 1.00 20.32 H new ATOM 0 HE2 PHE A 41 4.633 10.801 -15.680 1.00 11.21 H new ATOM 0 HZ PHE A 41 3.184 10.551 -13.684 1.00 3.30 H new ATOM 675 N LEU A 42 10.483 8.978 -12.344 1.00 11.24 N ATOM 676 CA LEU A 42 11.670 8.262 -12.803 1.00 65.41 C ATOM 677 C LEU A 42 11.436 7.854 -14.251 1.00 73.33 C ATOM 678 O LEU A 42 12.342 7.861 -15.086 1.00 4.42 O ATOM 679 CB LEU A 42 11.917 7.007 -11.960 1.00 52.33 C ATOM 680 CG LEU A 42 12.473 7.366 -10.578 1.00 74.45 C ATOM 681 CD1 LEU A 42 12.598 6.078 -9.750 1.00 63.34 C ATOM 682 CD2 LEU A 42 13.851 8.038 -10.711 1.00 11.53 C ATOM 0 H LEU A 42 9.761 8.380 -11.941 1.00 11.24 H new ATOM 0 HA LEU A 42 12.542 8.909 -12.709 1.00 65.41 H new ATOM 0 HB2 LEU A 42 10.985 6.453 -11.847 1.00 52.33 H new ATOM 0 HB3 LEU A 42 12.617 6.351 -12.477 1.00 52.33 H new ATOM 0 HG LEU A 42 11.798 8.065 -10.084 1.00 74.45 H new ATOM 0 HD11 LEU A 42 12.993 6.317 -8.763 1.00 63.34 H new ATOM 0 HD12 LEU A 42 11.616 5.616 -9.646 1.00 63.34 H new ATOM 0 HD13 LEU A 42 13.274 5.386 -10.253 1.00 63.34 H new ATOM 0 HD21 LEU A 42 14.232 8.287 -9.720 1.00 11.53 H new ATOM 0 HD22 LEU A 42 14.543 7.355 -11.205 1.00 11.53 H new ATOM 0 HD23 LEU A 42 13.756 8.949 -11.302 1.00 11.53 H new ATOM 694 N GLY A 43 10.187 7.505 -14.512 1.00 34.45 N ATOM 695 CA GLY A 43 9.735 7.084 -15.831 1.00 75.32 C ATOM 696 C GLY A 43 8.265 6.680 -15.753 1.00 1.45 C ATOM 697 O GLY A 43 7.793 6.253 -14.702 1.00 23.42 O ATOM 0 H GLY A 43 9.449 7.506 -13.808 1.00 34.45 H new ATOM 0 HA2 GLY A 43 9.864 7.894 -16.549 1.00 75.32 H new ATOM 0 HA3 GLY A 43 10.336 6.246 -16.184 1.00 75.32 H new ATOM 701 N GLU A 44 7.534 6.818 -16.848 1.00 55.11 N ATOM 702 CA GLU A 44 6.121 6.454 -16.835 1.00 63.34 C ATOM 703 C GLU A 44 5.949 5.037 -16.299 1.00 45.43 C ATOM 704 O GLU A 44 4.925 4.709 -15.701 1.00 42.53 O ATOM 705 CB GLU A 44 5.536 6.551 -18.246 1.00 64.34 C ATOM 706 CG GLU A 44 5.460 8.018 -18.671 1.00 51.34 C ATOM 707 CD GLU A 44 4.397 8.746 -17.854 1.00 65.41 C ATOM 708 OE1 GLU A 44 3.601 8.071 -17.222 1.00 4.13 O ATOM 709 OE2 GLU A 44 4.395 9.965 -17.874 1.00 32.42 O ATOM 0 H GLU A 44 7.883 7.171 -17.739 1.00 55.11 H new ATOM 0 HA GLU A 44 5.589 7.147 -16.184 1.00 63.34 H new ATOM 0 HB2 GLU A 44 6.155 5.991 -18.946 1.00 64.34 H new ATOM 0 HB3 GLU A 44 4.543 6.103 -18.270 1.00 64.34 H new ATOM 0 HG2 GLU A 44 6.429 8.496 -18.530 1.00 51.34 H new ATOM 0 HG3 GLU A 44 5.223 8.085 -19.733 1.00 51.34 H new ATOM 716 N ASP A 45 6.965 4.203 -16.509 1.00 53.31 N ATOM 717 CA ASP A 45 6.927 2.822 -16.033 1.00 11.13 C ATOM 718 C ASP A 45 7.703 2.696 -14.725 1.00 10.04 C ATOM 719 O ASP A 45 8.011 1.592 -14.277 1.00 52.13 O ATOM 720 CB ASP A 45 7.536 1.886 -17.085 1.00 4.14 C ATOM 721 CG ASP A 45 7.204 2.392 -18.484 1.00 51.14 C ATOM 722 OD1 ASP A 45 6.047 2.309 -18.863 1.00 32.45 O ATOM 723 OD2 ASP A 45 8.111 2.855 -19.156 1.00 22.02 O ATOM 0 H ASP A 45 7.820 4.457 -17.003 1.00 53.31 H new ATOM 0 HA ASP A 45 5.888 2.540 -15.861 1.00 11.13 H new ATOM 0 HB2 ASP A 45 8.617 1.833 -16.955 1.00 4.14 H new ATOM 0 HB3 ASP A 45 7.149 0.876 -16.953 1.00 4.14 H new ATOM 728 N GLU A 46 8.028 3.838 -14.125 1.00 32.31 N ATOM 729 CA GLU A 46 8.781 3.843 -12.878 1.00 73.43 C ATOM 730 C GLU A 46 8.789 5.235 -12.243 1.00 34.51 C ATOM 731 O GLU A 46 9.150 6.216 -12.884 1.00 30.11 O ATOM 732 CB GLU A 46 10.222 3.407 -13.160 1.00 4.15 C ATOM 733 CG GLU A 46 10.984 3.222 -11.845 1.00 30.44 C ATOM 734 CD GLU A 46 12.467 3.004 -12.131 1.00 45.35 C ATOM 735 OE1 GLU A 46 12.826 2.968 -13.296 1.00 60.32 O ATOM 736 OE2 GLU A 46 13.220 2.876 -11.179 1.00 54.02 O ATOM 0 H GLU A 46 7.784 4.763 -14.479 1.00 32.31 H new ATOM 0 HA GLU A 46 8.304 3.152 -12.183 1.00 73.43 H new ATOM 0 HB2 GLU A 46 10.224 2.475 -13.724 1.00 4.15 H new ATOM 0 HB3 GLU A 46 10.722 4.154 -13.777 1.00 4.15 H new ATOM 0 HG2 GLU A 46 10.852 4.099 -11.211 1.00 30.44 H new ATOM 0 HG3 GLU A 46 10.581 2.370 -11.298 1.00 30.44 H new ATOM 743 N LEU A 47 8.392 5.314 -10.977 1.00 40.43 N ATOM 744 CA LEU A 47 8.372 6.589 -10.260 1.00 11.44 C ATOM 745 C LEU A 47 8.861 6.383 -8.827 1.00 10.44 C ATOM 746 O LEU A 47 8.680 5.320 -8.247 1.00 44.20 O ATOM 747 CB LEU A 47 6.973 7.234 -10.269 1.00 20.14 C ATOM 748 CG LEU A 47 5.873 6.165 -10.350 1.00 54.12 C ATOM 749 CD1 LEU A 47 4.549 6.789 -9.902 1.00 2.14 C ATOM 750 CD2 LEU A 47 5.734 5.626 -11.792 1.00 3.34 C ATOM 0 H LEU A 47 8.080 4.514 -10.426 1.00 40.43 H new ATOM 0 HA LEU A 47 9.043 7.276 -10.776 1.00 11.44 H new ATOM 0 HB2 LEU A 47 6.839 7.831 -9.367 1.00 20.14 H new ATOM 0 HB3 LEU A 47 6.888 7.913 -11.117 1.00 20.14 H new ATOM 0 HG LEU A 47 6.137 5.330 -9.700 1.00 54.12 H new ATOM 0 HD11 LEU A 47 3.758 6.041 -9.954 1.00 2.14 H new ATOM 0 HD12 LEU A 47 4.644 7.146 -8.876 1.00 2.14 H new ATOM 0 HD13 LEU A 47 4.301 7.625 -10.556 1.00 2.14 H new ATOM 0 HD21 LEU A 47 4.949 4.870 -11.824 1.00 3.34 H new ATOM 0 HD22 LEU A 47 5.477 6.445 -12.463 1.00 3.34 H new ATOM 0 HD23 LEU A 47 6.678 5.182 -12.107 1.00 3.34 H new ATOM 762 N LYS A 48 9.491 7.401 -8.263 1.00 13.43 N ATOM 763 CA LYS A 48 9.997 7.312 -6.896 1.00 71.43 C ATOM 764 C LYS A 48 9.085 8.090 -5.953 1.00 61.35 C ATOM 765 O LYS A 48 8.886 9.291 -6.141 1.00 11.03 O ATOM 766 CB LYS A 48 11.417 7.893 -6.838 1.00 32.54 C ATOM 767 CG LYS A 48 12.203 7.239 -5.698 1.00 70.50 C ATOM 768 CD LYS A 48 13.634 7.792 -5.674 1.00 65.55 C ATOM 769 CE LYS A 48 14.562 6.782 -5.001 1.00 70.34 C ATOM 770 NZ LYS A 48 15.836 7.454 -4.615 1.00 14.31 N ATOM 0 H LYS A 48 9.665 8.294 -8.724 1.00 13.43 H new ATOM 0 HA LYS A 48 10.019 6.267 -6.588 1.00 71.43 H new ATOM 0 HB2 LYS A 48 11.927 7.724 -7.786 1.00 32.54 H new ATOM 0 HB3 LYS A 48 11.372 8.972 -6.688 1.00 32.54 H new ATOM 0 HG2 LYS A 48 11.711 7.434 -4.745 1.00 70.50 H new ATOM 0 HG3 LYS A 48 12.223 6.157 -5.831 1.00 70.50 H new ATOM 0 HD2 LYS A 48 13.974 7.993 -6.690 1.00 65.55 H new ATOM 0 HD3 LYS A 48 13.660 8.740 -5.136 1.00 65.55 H new ATOM 0 HE2 LYS A 48 14.079 6.361 -4.119 1.00 70.34 H new ATOM 0 HE3 LYS A 48 14.767 5.953 -5.679 1.00 70.34 H new ATOM 0 HZ1 LYS A 48 16.555 6.735 -4.395 1.00 14.31 H new ATOM 0 HZ2 LYS A 48 16.168 8.047 -5.402 1.00 14.31 H new ATOM 0 HZ3 LYS A 48 15.675 8.049 -3.778 1.00 14.31 H new ATOM 784 N VAL A 49 8.540 7.420 -4.929 1.00 44.43 N ATOM 785 CA VAL A 49 7.670 8.112 -3.975 1.00 22.14 C ATOM 786 C VAL A 49 8.028 7.759 -2.533 1.00 40.03 C ATOM 787 O VAL A 49 8.394 6.629 -2.206 1.00 3.01 O ATOM 788 CB VAL A 49 6.162 7.921 -4.325 1.00 12.35 C ATOM 789 CG1 VAL A 49 5.500 6.737 -3.617 1.00 63.23 C ATOM 790 CG2 VAL A 49 5.372 9.172 -3.935 1.00 41.24 C ATOM 0 H VAL A 49 8.682 6.427 -4.744 1.00 44.43 H new ATOM 0 HA VAL A 49 7.850 9.183 -4.064 1.00 22.14 H new ATOM 0 HB VAL A 49 6.142 7.732 -5.398 1.00 12.35 H new ATOM 0 HG11 VAL A 49 4.453 6.674 -3.915 1.00 63.23 H new ATOM 0 HG12 VAL A 49 6.012 5.815 -3.894 1.00 63.23 H new ATOM 0 HG13 VAL A 49 5.563 6.877 -2.538 1.00 63.23 H new ATOM 0 HG21 VAL A 49 4.320 9.030 -4.183 1.00 41.24 H new ATOM 0 HG22 VAL A 49 5.472 9.346 -2.864 1.00 41.24 H new ATOM 0 HG23 VAL A 49 5.760 10.032 -4.480 1.00 41.24 H new ATOM 800 N SER A 50 7.948 8.791 -1.698 1.00 14.24 N ATOM 801 CA SER A 50 8.293 8.691 -0.277 1.00 60.14 C ATOM 802 C SER A 50 7.063 8.819 0.609 1.00 75.14 C ATOM 803 O SER A 50 6.150 9.587 0.306 1.00 13.45 O ATOM 804 CB SER A 50 9.288 9.796 0.081 1.00 14.31 C ATOM 805 OG SER A 50 10.571 9.457 -0.427 1.00 10.25 O ATOM 0 H SER A 50 7.643 9.721 -1.984 1.00 14.24 H new ATOM 0 HA SER A 50 8.734 7.709 -0.105 1.00 60.14 H new ATOM 0 HB2 SER A 50 8.959 10.747 -0.337 1.00 14.31 H new ATOM 0 HB3 SER A 50 9.335 9.923 1.163 1.00 14.31 H new ATOM 0 HG SER A 50 11.210 10.165 -0.200 1.00 10.25 H new ATOM 811 N TYR A 51 7.050 8.073 1.717 1.00 72.42 N ATOM 812 CA TYR A 51 5.931 8.118 2.650 1.00 41.53 C ATOM 813 C TYR A 51 6.369 8.772 3.957 1.00 53.10 C ATOM 814 O TYR A 51 7.368 8.362 4.552 1.00 44.43 O ATOM 815 CB TYR A 51 5.479 6.692 3.005 1.00 45.40 C ATOM 816 CG TYR A 51 4.933 5.939 1.805 1.00 72.31 C ATOM 817 CD1 TYR A 51 5.714 5.754 0.654 1.00 1.41 C ATOM 818 CD2 TYR A 51 3.642 5.391 1.865 1.00 4.41 C ATOM 819 CE1 TYR A 51 5.202 5.027 -0.428 1.00 60.03 C ATOM 820 CE2 TYR A 51 3.137 4.669 0.779 1.00 14.42 C ATOM 821 CZ TYR A 51 3.915 4.487 -0.363 1.00 62.13 C ATOM 822 OH TYR A 51 3.413 3.765 -1.424 1.00 32.04 O ATOM 0 H TYR A 51 7.799 7.435 1.985 1.00 72.42 H new ATOM 0 HA TYR A 51 5.125 8.679 2.176 1.00 41.53 H new ATOM 0 HB2 TYR A 51 6.321 6.141 3.423 1.00 45.40 H new ATOM 0 HB3 TYR A 51 4.713 6.739 3.779 1.00 45.40 H new ATOM 0 HD1 TYR A 51 6.709 6.172 0.603 1.00 1.41 H new ATOM 0 HD2 TYR A 51 3.038 5.527 2.750 1.00 4.41 H new ATOM 0 HE1 TYR A 51 5.803 4.884 -1.314 1.00 60.03 H new ATOM 0 HE2 TYR A 51 2.142 4.252 0.825 1.00 14.42 H new ATOM 0 HH TYR A 51 4.139 3.548 -2.045 1.00 32.04 H new ATOM 832 N ALA A 52 5.616 9.766 4.419 1.00 63.05 N ATOM 833 CA ALA A 52 5.935 10.438 5.678 1.00 54.43 C ATOM 834 C ALA A 52 4.701 10.433 6.573 1.00 70.23 C ATOM 835 O ALA A 52 3.719 11.119 6.289 1.00 70.14 O ATOM 836 CB ALA A 52 6.395 11.880 5.408 1.00 11.31 C ATOM 0 H ALA A 52 4.786 10.123 3.946 1.00 63.05 H new ATOM 0 HA ALA A 52 6.746 9.909 6.178 1.00 54.43 H new ATOM 0 HB1 ALA A 52 6.630 12.370 6.353 1.00 11.31 H new ATOM 0 HB2 ALA A 52 7.283 11.866 4.776 1.00 11.31 H new ATOM 0 HB3 ALA A 52 5.599 12.427 4.903 1.00 11.31 H new ATOM 842 N VAL A 53 4.747 9.639 7.644 1.00 13.22 N ATOM 843 CA VAL A 53 3.615 9.533 8.564 1.00 60.10 C ATOM 844 C VAL A 53 4.052 9.865 9.997 1.00 35.32 C ATOM 845 O VAL A 53 5.058 9.339 10.472 1.00 70.25 O ATOM 846 CB VAL A 53 3.068 8.098 8.526 1.00 51.24 C ATOM 847 CG1 VAL A 53 1.624 8.076 9.036 1.00 43.21 C ATOM 848 CG2 VAL A 53 3.113 7.573 7.087 1.00 12.32 C ATOM 0 H VAL A 53 5.551 9.063 7.894 1.00 13.22 H new ATOM 0 HA VAL A 53 2.845 10.240 8.257 1.00 60.10 H new ATOM 0 HB VAL A 53 3.681 7.463 9.165 1.00 51.24 H new ATOM 0 HG11 VAL A 53 1.243 7.055 9.006 1.00 43.21 H new ATOM 0 HG12 VAL A 53 1.595 8.444 10.061 1.00 43.21 H new ATOM 0 HG13 VAL A 53 1.005 8.713 8.404 1.00 43.21 H new ATOM 0 HG21 VAL A 53 2.725 6.555 7.059 1.00 12.32 H new ATOM 0 HG22 VAL A 53 2.503 8.211 6.448 1.00 12.32 H new ATOM 0 HG23 VAL A 53 4.143 7.579 6.730 1.00 12.32 H new ATOM 858 N PRO A 54 3.324 10.702 10.702 1.00 55.04 N ATOM 859 CA PRO A 54 3.670 11.064 12.107 1.00 52.13 C ATOM 860 C PRO A 54 3.296 9.951 13.083 1.00 61.54 C ATOM 861 O PRO A 54 2.503 9.068 12.756 1.00 33.05 O ATOM 862 CB PRO A 54 2.841 12.324 12.361 1.00 21.43 C ATOM 863 CG PRO A 54 1.634 12.157 11.501 1.00 13.30 C ATOM 864 CD PRO A 54 2.102 11.400 10.255 1.00 42.11 C ATOM 0 HA PRO A 54 4.739 11.219 12.250 1.00 52.13 H new ATOM 0 HB2 PRO A 54 2.569 12.415 13.413 1.00 21.43 H new ATOM 0 HB3 PRO A 54 3.396 13.224 12.096 1.00 21.43 H new ATOM 0 HG2 PRO A 54 0.856 11.602 12.025 1.00 13.30 H new ATOM 0 HG3 PRO A 54 1.210 13.125 11.233 1.00 13.30 H new ATOM 0 HD2 PRO A 54 1.345 10.697 9.907 1.00 42.11 H new ATOM 0 HD3 PRO A 54 2.310 12.080 9.429 1.00 42.11 H new ATOM 872 N LYS A 55 3.868 10.001 14.279 1.00 12.13 N ATOM 873 CA LYS A 55 3.584 8.992 15.289 1.00 51.21 C ATOM 874 C LYS A 55 4.062 9.470 16.662 1.00 61.43 C ATOM 875 O LYS A 55 5.219 9.259 17.022 1.00 73.41 O ATOM 876 CB LYS A 55 4.294 7.684 14.926 1.00 75.43 C ATOM 877 CG LYS A 55 3.666 6.524 15.705 1.00 52.15 C ATOM 878 CD LYS A 55 4.504 5.257 15.502 1.00 60.51 C ATOM 879 CE LYS A 55 3.680 4.028 15.892 1.00 64.12 C ATOM 880 NZ LYS A 55 3.130 4.212 17.265 1.00 12.03 N ATOM 0 H LYS A 55 4.526 10.723 14.571 1.00 12.13 H new ATOM 0 HA LYS A 55 2.508 8.824 15.326 1.00 51.21 H new ATOM 0 HB2 LYS A 55 4.215 7.501 13.854 1.00 75.43 H new ATOM 0 HB3 LYS A 55 5.356 7.759 15.159 1.00 75.43 H new ATOM 0 HG2 LYS A 55 3.613 6.771 16.765 1.00 52.15 H new ATOM 0 HG3 LYS A 55 2.644 6.355 15.365 1.00 52.15 H new ATOM 0 HD2 LYS A 55 4.819 5.180 14.461 1.00 60.51 H new ATOM 0 HD3 LYS A 55 5.409 5.307 16.107 1.00 60.51 H new ATOM 0 HE2 LYS A 55 2.868 3.881 15.180 1.00 64.12 H new ATOM 0 HE3 LYS A 55 4.302 3.134 15.855 1.00 64.12 H new ATOM 0 HZ1 LYS A 55 2.476 3.434 17.484 1.00 12.03 H new ATOM 0 HZ2 LYS A 55 3.909 4.213 17.954 1.00 12.03 H new ATOM 0 HZ3 LYS A 55 2.621 5.117 17.317 1.00 12.03 H new ATOM 894 N PRO A 56 3.213 10.113 17.431 1.00 11.11 N ATOM 895 CA PRO A 56 3.591 10.625 18.780 1.00 20.22 C ATOM 896 C PRO A 56 4.435 9.622 19.566 1.00 53.52 C ATOM 897 O PRO A 56 5.081 9.979 20.551 1.00 72.41 O ATOM 898 CB PRO A 56 2.239 10.867 19.452 1.00 42.05 C ATOM 899 CG PRO A 56 1.314 11.213 18.330 1.00 32.32 C ATOM 900 CD PRO A 56 1.806 10.429 17.108 1.00 23.11 C ATOM 0 HA PRO A 56 4.213 11.519 18.728 1.00 20.22 H new ATOM 0 HB2 PRO A 56 1.898 9.980 19.987 1.00 42.05 H new ATOM 0 HB3 PRO A 56 2.298 11.676 20.180 1.00 42.05 H new ATOM 0 HG2 PRO A 56 0.287 10.944 18.576 1.00 32.32 H new ATOM 0 HG3 PRO A 56 1.325 12.285 18.134 1.00 32.32 H new ATOM 0 HD2 PRO A 56 1.219 9.524 16.951 1.00 23.11 H new ATOM 0 HD3 PRO A 56 1.729 11.021 16.196 1.00 23.11 H new ATOM 908 N ASN A 57 4.429 8.367 19.121 1.00 34.52 N ATOM 909 CA ASN A 57 5.202 7.318 19.785 1.00 1.40 C ATOM 910 C ASN A 57 6.497 7.044 19.026 1.00 24.11 C ATOM 911 O ASN A 57 7.110 5.989 19.184 1.00 35.05 O ATOM 912 CB ASN A 57 4.376 6.032 19.861 1.00 44.12 C ATOM 913 CG ASN A 57 3.156 6.247 20.751 1.00 32.21 C ATOM 914 OD1 ASN A 57 2.050 5.837 20.401 1.00 55.25 O ATOM 915 ND2 ASN A 57 3.293 6.871 21.889 1.00 52.15 N ATOM 0 H ASN A 57 3.900 8.052 18.307 1.00 34.52 H new ATOM 0 HA ASN A 57 5.447 7.656 20.792 1.00 1.40 H new ATOM 0 HB2 ASN A 57 4.059 5.734 18.862 1.00 44.12 H new ATOM 0 HB3 ASN A 57 4.987 5.221 20.257 1.00 44.12 H new ATOM 0 HD21 ASN A 57 2.482 7.020 22.490 1.00 52.15 H new ATOM 0 HD22 ASN A 57 4.211 7.210 22.177 1.00 52.15 H new ATOM 922 N GLY A 58 6.906 8.003 18.195 1.00 2.53 N ATOM 923 CA GLY A 58 8.129 7.865 17.404 1.00 31.12 C ATOM 924 C GLY A 58 7.820 7.971 15.914 1.00 62.42 C ATOM 925 O GLY A 58 7.553 6.969 15.252 1.00 10.55 O ATOM 0 H GLY A 58 6.409 8.882 18.052 1.00 2.53 H new ATOM 0 HA2 GLY A 58 8.842 8.639 17.689 1.00 31.12 H new ATOM 0 HA3 GLY A 58 8.599 6.905 17.616 1.00 31.12 H new ATOM 929 N CYS A 59 7.854 9.195 15.395 1.00 51.21 N ATOM 930 CA CYS A 59 7.569 9.423 13.981 1.00 2.24 C ATOM 931 C CYS A 59 8.381 8.472 13.107 1.00 44.25 C ATOM 932 O CYS A 59 9.461 8.028 13.495 1.00 11.32 O ATOM 933 CB CYS A 59 7.899 10.873 13.616 1.00 5.11 C ATOM 934 SG CYS A 59 7.312 11.970 14.930 1.00 2.50 S ATOM 0 H CYS A 59 8.074 10.038 15.926 1.00 51.21 H new ATOM 0 HA CYS A 59 6.510 9.235 13.805 1.00 2.24 H new ATOM 0 HB2 CYS A 59 8.974 10.990 13.482 1.00 5.11 H new ATOM 0 HB3 CYS A 59 7.429 11.138 12.669 1.00 5.11 H new ATOM 939 N ARG A 60 7.849 8.162 11.925 1.00 15.55 N ATOM 940 CA ARG A 60 8.526 7.256 10.996 1.00 62.22 C ATOM 941 C ARG A 60 8.585 7.862 9.596 1.00 15.31 C ATOM 942 O ARG A 60 7.565 8.262 9.036 1.00 53.25 O ATOM 943 CB ARG A 60 7.781 5.919 10.941 1.00 21.43 C ATOM 944 CG ARG A 60 8.579 4.922 10.098 1.00 63.34 C ATOM 945 CD ARG A 60 7.840 3.584 10.056 1.00 62.30 C ATOM 946 NE ARG A 60 8.630 2.592 9.334 1.00 43.34 N ATOM 947 CZ ARG A 60 8.621 2.539 8.006 1.00 14.55 C ATOM 948 NH1 ARG A 60 7.896 3.383 7.325 1.00 45.05 N ATOM 949 NH2 ARG A 60 9.336 1.642 7.384 1.00 12.20 N ATOM 0 H ARG A 60 6.956 8.522 11.589 1.00 15.55 H new ATOM 0 HA ARG A 60 9.544 7.096 11.352 1.00 62.22 H new ATOM 0 HB2 ARG A 60 7.640 5.528 11.949 1.00 21.43 H new ATOM 0 HB3 ARG A 60 6.789 6.061 10.512 1.00 21.43 H new ATOM 0 HG2 ARG A 60 8.712 5.308 9.087 1.00 63.34 H new ATOM 0 HG3 ARG A 60 9.574 4.787 10.521 1.00 63.34 H new ATOM 0 HD2 ARG A 60 7.646 3.236 11.071 1.00 62.30 H new ATOM 0 HD3 ARG A 60 6.872 3.711 9.572 1.00 62.30 H new ATOM 0 HE ARG A 60 9.199 1.927 9.858 1.00 43.34 H new ATOM 0 HH11 ARG A 60 7.336 4.083 7.812 1.00 45.05 H new ATOM 0 HH12 ARG A 60 7.889 3.343 6.306 1.00 45.05 H new ATOM 0 HH21 ARG A 60 9.902 0.982 7.917 1.00 12.20 H new ATOM 0 HH22 ARG A 60 9.329 1.601 6.365 1.00 12.20 H new ATOM 963 N LYS A 61 9.791 7.913 9.035 1.00 3.20 N ATOM 964 CA LYS A 61 9.991 8.459 7.693 1.00 4.24 C ATOM 965 C LYS A 61 10.888 7.535 6.874 1.00 4.32 C ATOM 966 O LYS A 61 11.930 7.086 7.354 1.00 43.24 O ATOM 967 CB LYS A 61 10.630 9.847 7.783 1.00 10.22 C ATOM 968 CG LYS A 61 12.012 9.737 8.431 1.00 42.34 C ATOM 969 CD LYS A 61 12.526 11.135 8.780 1.00 30.40 C ATOM 970 CE LYS A 61 13.993 11.048 9.204 1.00 52.32 C ATOM 971 NZ LYS A 61 14.192 9.844 10.060 1.00 63.14 N ATOM 0 H LYS A 61 10.644 7.584 9.487 1.00 3.20 H new ATOM 0 HA LYS A 61 9.021 8.539 7.202 1.00 4.24 H new ATOM 0 HB2 LYS A 61 10.718 10.283 6.788 1.00 10.22 H new ATOM 0 HB3 LYS A 61 9.995 10.513 8.368 1.00 10.22 H new ATOM 0 HG2 LYS A 61 11.956 9.124 9.330 1.00 42.34 H new ATOM 0 HG3 LYS A 61 12.706 9.242 7.751 1.00 42.34 H new ATOM 0 HD2 LYS A 61 12.424 11.797 7.920 1.00 30.40 H new ATOM 0 HD3 LYS A 61 11.929 11.563 9.585 1.00 30.40 H new ATOM 0 HE2 LYS A 61 14.634 10.992 8.324 1.00 52.32 H new ATOM 0 HE3 LYS A 61 14.279 11.947 9.750 1.00 52.32 H new ATOM 0 HZ1 LYS A 61 15.073 9.946 10.604 1.00 63.14 H new ATOM 0 HZ2 LYS A 61 13.390 9.747 10.715 1.00 63.14 H new ATOM 0 HZ3 LYS A 61 14.252 8.997 9.459 1.00 63.14 H new ATOM 985 N TRP A 62 10.483 7.248 5.640 1.00 55.34 N ATOM 986 CA TRP A 62 11.275 6.373 4.780 1.00 74.55 C ATOM 987 C TRP A 62 10.945 6.614 3.307 1.00 43.13 C ATOM 988 O TRP A 62 10.074 7.419 2.975 1.00 12.21 O ATOM 989 CB TRP A 62 11.047 4.901 5.185 1.00 73.22 C ATOM 990 CG TRP A 62 10.128 4.203 4.229 1.00 3.41 C ATOM 991 CD1 TRP A 62 8.868 4.593 3.931 1.00 64.13 C ATOM 992 CD2 TRP A 62 10.381 2.999 3.453 1.00 54.25 C ATOM 993 NE1 TRP A 62 8.330 3.701 3.018 1.00 34.23 N ATOM 994 CE2 TRP A 62 9.226 2.701 2.692 1.00 25.41 C ATOM 995 CE3 TRP A 62 11.492 2.144 3.336 1.00 21.20 C ATOM 996 CZ2 TRP A 62 9.177 1.592 1.846 1.00 43.24 C ATOM 997 CZ3 TRP A 62 11.445 1.028 2.484 1.00 1.43 C ATOM 998 CH2 TRP A 62 10.289 0.753 1.742 1.00 54.30 C ATOM 0 H TRP A 62 9.625 7.602 5.218 1.00 55.34 H new ATOM 0 HA TRP A 62 12.332 6.603 4.911 1.00 74.55 H new ATOM 0 HB2 TRP A 62 12.004 4.379 5.218 1.00 73.22 H new ATOM 0 HB3 TRP A 62 10.627 4.860 6.190 1.00 73.22 H new ATOM 0 HD1 TRP A 62 8.364 5.457 4.338 1.00 64.13 H new ATOM 0 HE1 TRP A 62 7.388 3.773 2.634 1.00 34.23 H new ATOM 0 HE3 TRP A 62 12.387 2.347 3.905 1.00 21.20 H new ATOM 0 HZ2 TRP A 62 8.284 1.384 1.275 1.00 43.24 H new ATOM 0 HZ3 TRP A 62 12.304 0.379 2.401 1.00 1.43 H new ATOM 0 HH2 TRP A 62 10.258 -0.107 1.090 1.00 54.30 H new ATOM 1009 N GLU A 63 11.664 5.915 2.432 1.00 70.22 N ATOM 1010 CA GLU A 63 11.470 6.057 0.988 1.00 32.22 C ATOM 1011 C GLU A 63 11.050 4.732 0.355 1.00 23.05 C ATOM 1012 O GLU A 63 11.274 3.661 0.919 1.00 21.10 O ATOM 1013 CB GLU A 63 12.772 6.541 0.343 1.00 54.11 C ATOM 1014 CG GLU A 63 12.524 6.885 -1.128 1.00 43.30 C ATOM 1015 CD GLU A 63 13.732 7.618 -1.701 1.00 12.33 C ATOM 1016 OE1 GLU A 63 14.784 7.554 -1.087 1.00 22.45 O ATOM 1017 OE2 GLU A 63 13.587 8.231 -2.745 1.00 75.32 O ATOM 0 H GLU A 63 12.386 5.245 2.696 1.00 70.22 H new ATOM 0 HA GLU A 63 10.676 6.784 0.819 1.00 32.22 H new ATOM 0 HB2 GLU A 63 13.148 7.417 0.873 1.00 54.11 H new ATOM 0 HB3 GLU A 63 13.537 5.768 0.422 1.00 54.11 H new ATOM 0 HG2 GLU A 63 12.337 5.974 -1.697 1.00 43.30 H new ATOM 0 HG3 GLU A 63 11.633 7.507 -1.220 1.00 43.30 H new ATOM 1024 N THR A 64 10.443 4.821 -0.828 1.00 2.50 N ATOM 1025 CA THR A 64 9.994 3.634 -1.550 1.00 63.24 C ATOM 1026 C THR A 64 10.069 3.867 -3.057 1.00 65.10 C ATOM 1027 O THR A 64 9.796 4.967 -3.538 1.00 2.44 O ATOM 1028 CB THR A 64 8.552 3.291 -1.161 1.00 71.13 C ATOM 1029 OG1 THR A 64 8.380 3.487 0.235 1.00 52.42 O ATOM 1030 CG2 THR A 64 8.256 1.832 -1.515 1.00 63.50 C ATOM 0 H THR A 64 10.252 5.702 -1.305 1.00 2.50 H new ATOM 0 HA THR A 64 10.648 2.804 -1.283 1.00 63.24 H new ATOM 0 HB THR A 64 7.866 3.939 -1.706 1.00 71.13 H new ATOM 0 HG1 THR A 64 8.989 2.896 0.726 1.00 52.42 H new ATOM 0 HG21 THR A 64 7.230 1.591 -1.237 1.00 63.50 H new ATOM 0 HG22 THR A 64 8.386 1.684 -2.587 1.00 63.50 H new ATOM 0 HG23 THR A 64 8.941 1.180 -0.973 1.00 63.50 H new ATOM 1038 N THR A 65 10.435 2.824 -3.798 1.00 34.42 N ATOM 1039 CA THR A 65 10.540 2.918 -5.254 1.00 15.15 C ATOM 1040 C THR A 65 9.418 2.127 -5.920 1.00 3.42 C ATOM 1041 O THR A 65 9.035 1.059 -5.441 1.00 62.32 O ATOM 1042 CB THR A 65 11.893 2.370 -5.714 1.00 45.40 C ATOM 1043 OG1 THR A 65 12.927 2.953 -4.933 1.00 52.35 O ATOM 1044 CG2 THR A 65 12.110 2.713 -7.187 1.00 73.41 C ATOM 0 H THR A 65 10.664 1.906 -3.417 1.00 34.42 H new ATOM 0 HA THR A 65 10.454 3.966 -5.542 1.00 15.15 H new ATOM 0 HB THR A 65 11.909 1.287 -5.590 1.00 45.40 H new ATOM 0 HG1 THR A 65 13.794 2.602 -5.225 1.00 52.35 H new ATOM 0 HG21 THR A 65 13.074 2.322 -7.513 1.00 73.41 H new ATOM 0 HG22 THR A 65 11.316 2.266 -7.785 1.00 73.41 H new ATOM 0 HG23 THR A 65 12.095 3.795 -7.315 1.00 73.41 H new ATOM 1052 N PHE A 66 8.885 2.665 -7.017 1.00 72.43 N ATOM 1053 CA PHE A 66 7.787 2.024 -7.745 1.00 45.13 C ATOM 1054 C PHE A 66 8.288 1.591 -9.124 1.00 64.34 C ATOM 1055 O PHE A 66 8.779 2.419 -9.889 1.00 15.01 O ATOM 1056 CB PHE A 66 6.666 3.053 -7.957 1.00 32.41 C ATOM 1057 CG PHE A 66 5.860 3.362 -6.703 1.00 4.43 C ATOM 1058 CD1 PHE A 66 6.166 2.810 -5.445 1.00 12.44 C ATOM 1059 CD2 PHE A 66 4.775 4.240 -6.826 1.00 72.30 C ATOM 1060 CE1 PHE A 66 5.384 3.140 -4.331 1.00 45.24 C ATOM 1061 CE2 PHE A 66 3.999 4.564 -5.713 1.00 23.34 C ATOM 1062 CZ PHE A 66 4.300 4.015 -4.467 1.00 24.24 C ATOM 0 H PHE A 66 9.197 3.547 -7.423 1.00 72.43 H new ATOM 0 HA PHE A 66 7.425 1.165 -7.180 1.00 45.13 H new ATOM 0 HB2 PHE A 66 7.103 3.978 -8.332 1.00 32.41 H new ATOM 0 HB3 PHE A 66 5.990 2.684 -8.729 1.00 32.41 H new ATOM 0 HD1 PHE A 66 7.001 2.134 -5.339 1.00 12.44 H new ATOM 0 HD2 PHE A 66 4.538 4.669 -7.789 1.00 72.30 H new ATOM 0 HE1 PHE A 66 5.618 2.718 -3.365 1.00 45.24 H new ATOM 0 HE2 PHE A 66 3.164 5.241 -5.816 1.00 23.34 H new ATOM 0 HZ PHE A 66 3.697 4.265 -3.607 1.00 24.24 H new ATOM 1072 N LYS A 67 8.212 0.286 -9.424 1.00 51.44 N ATOM 1073 CA LYS A 67 8.722 -0.232 -10.699 1.00 44.51 C ATOM 1074 C LYS A 67 7.667 -1.014 -11.487 1.00 43.43 C ATOM 1075 O LYS A 67 6.664 -1.489 -10.929 1.00 23.43 O ATOM 1076 CB LYS A 67 9.915 -1.152 -10.437 1.00 32.50 C ATOM 1077 CG LYS A 67 10.946 -0.430 -9.567 1.00 41.22 C ATOM 1078 CD LYS A 67 12.286 -1.166 -9.652 1.00 32.33 C ATOM 1079 CE LYS A 67 13.277 -0.543 -8.668 1.00 51.41 C ATOM 1080 NZ LYS A 67 13.735 0.776 -9.190 1.00 74.14 N ATOM 0 H LYS A 67 7.808 -0.421 -8.809 1.00 51.44 H new ATOM 0 HA LYS A 67 9.013 0.632 -11.297 1.00 44.51 H new ATOM 0 HB2 LYS A 67 9.581 -2.063 -9.940 1.00 32.50 H new ATOM 0 HB3 LYS A 67 10.369 -1.452 -11.382 1.00 32.50 H new ATOM 0 HG2 LYS A 67 11.063 0.601 -9.901 1.00 41.22 H new ATOM 0 HG3 LYS A 67 10.604 -0.393 -8.533 1.00 41.22 H new ATOM 0 HD2 LYS A 67 12.147 -2.223 -9.424 1.00 32.33 H new ATOM 0 HD3 LYS A 67 12.680 -1.108 -10.667 1.00 32.33 H new ATOM 0 HE2 LYS A 67 12.806 -0.416 -7.693 1.00 51.41 H new ATOM 0 HE3 LYS A 67 14.130 -1.206 -8.526 1.00 51.41 H new ATOM 0 HZ1 LYS A 67 14.422 1.192 -8.529 1.00 74.14 H new ATOM 0 HZ2 LYS A 67 14.184 0.645 -10.119 1.00 74.14 H new ATOM 0 HZ3 LYS A 67 12.919 1.413 -9.287 1.00 74.14 H new ATOM 1094 N LYS A 68 7.881 -1.081 -12.807 1.00 22.24 N ATOM 1095 CA LYS A 68 6.954 -1.773 -13.700 1.00 65.00 C ATOM 1096 C LYS A 68 5.575 -1.198 -13.507 1.00 54.50 C ATOM 1097 O LYS A 68 4.650 -1.880 -13.063 1.00 63.41 O ATOM 1098 CB LYS A 68 6.942 -3.272 -13.394 1.00 23.31 C ATOM 1099 CG LYS A 68 6.182 -4.012 -14.495 1.00 65.04 C ATOM 1100 CD LYS A 68 6.119 -5.503 -14.158 1.00 51.41 C ATOM 1101 CE LYS A 68 5.504 -6.268 -15.333 1.00 25.13 C ATOM 1102 NZ LYS A 68 6.468 -6.289 -16.470 1.00 10.44 N ATOM 0 H LYS A 68 8.686 -0.665 -13.275 1.00 22.24 H new ATOM 0 HA LYS A 68 7.272 -1.636 -14.734 1.00 65.00 H new ATOM 0 HB2 LYS A 68 7.963 -3.648 -13.326 1.00 23.31 H new ATOM 0 HB3 LYS A 68 6.471 -3.453 -12.428 1.00 23.31 H new ATOM 0 HG2 LYS A 68 5.175 -3.607 -14.591 1.00 65.04 H new ATOM 0 HG3 LYS A 68 6.677 -3.866 -15.455 1.00 65.04 H new ATOM 0 HD2 LYS A 68 7.119 -5.882 -13.948 1.00 51.41 H new ATOM 0 HD3 LYS A 68 5.524 -5.658 -13.258 1.00 51.41 H new ATOM 0 HE2 LYS A 68 5.260 -7.286 -15.030 1.00 25.13 H new ATOM 0 HE3 LYS A 68 4.572 -5.795 -15.641 1.00 25.13 H new ATOM 0 HZ1 LYS A 68 6.232 -7.073 -17.111 1.00 10.44 H new ATOM 0 HZ2 LYS A 68 6.413 -5.389 -16.989 1.00 10.44 H new ATOM 0 HZ3 LYS A 68 7.433 -6.419 -16.105 1.00 10.44 H new ATOM 1116 N THR A 69 5.470 0.087 -13.786 1.00 51.02 N ATOM 1117 CA THR A 69 4.247 0.807 -13.592 1.00 71.51 C ATOM 1118 C THR A 69 3.576 1.188 -14.911 1.00 64.43 C ATOM 1119 O THR A 69 3.651 2.335 -15.351 1.00 62.13 O ATOM 1120 CB THR A 69 4.621 2.039 -12.789 1.00 12.00 C ATOM 1121 OG1 THR A 69 5.356 2.932 -13.612 1.00 13.24 O ATOM 1122 CG2 THR A 69 5.490 1.603 -11.591 1.00 73.54 C ATOM 0 H THR A 69 6.236 0.652 -14.153 1.00 51.02 H new ATOM 0 HA THR A 69 3.515 0.189 -13.072 1.00 71.51 H new ATOM 0 HB THR A 69 3.722 2.540 -12.431 1.00 12.00 H new ATOM 0 HG1 THR A 69 4.772 3.283 -14.317 1.00 13.24 H new ATOM 0 HG21 THR A 69 5.767 2.479 -11.004 1.00 73.54 H new ATOM 0 HG22 THR A 69 4.926 0.911 -10.966 1.00 73.54 H new ATOM 0 HG23 THR A 69 6.392 1.111 -11.956 1.00 73.54 H new ATOM 1130 N SER A 70 2.907 0.217 -15.528 1.00 74.51 N ATOM 1131 CA SER A 70 2.211 0.455 -16.789 1.00 21.01 C ATOM 1132 C SER A 70 1.177 -0.641 -17.043 1.00 10.32 C ATOM 1133 O SER A 70 0.610 -0.735 -18.131 1.00 24.32 O ATOM 1134 CB SER A 70 3.215 0.487 -17.942 1.00 53.14 C ATOM 1135 OG SER A 70 2.547 0.876 -19.136 1.00 53.12 O ATOM 0 H SER A 70 2.832 -0.738 -15.177 1.00 74.51 H new ATOM 0 HA SER A 70 1.700 1.416 -16.726 1.00 21.01 H new ATOM 0 HB2 SER A 70 4.021 1.186 -17.718 1.00 53.14 H new ATOM 0 HB3 SER A 70 3.671 -0.495 -18.070 1.00 53.14 H new ATOM 0 HG SER A 70 1.661 0.458 -19.166 1.00 53.12 H new ATOM 1141 N ASP A 71 0.948 -1.469 -16.029 1.00 0.23 N ATOM 1142 CA ASP A 71 -0.004 -2.567 -16.134 1.00 54.51 C ATOM 1143 C ASP A 71 -1.362 -2.088 -16.653 1.00 3.02 C ATOM 1144 O ASP A 71 -1.667 -2.222 -17.838 1.00 43.30 O ATOM 1145 CB ASP A 71 -0.177 -3.212 -14.753 1.00 11.01 C ATOM 1146 CG ASP A 71 0.913 -4.254 -14.512 1.00 62.51 C ATOM 1147 OD1 ASP A 71 1.015 -5.171 -15.309 1.00 31.30 O ATOM 1148 OD2 ASP A 71 1.630 -4.117 -13.534 1.00 63.31 O ATOM 0 H ASP A 71 1.411 -1.399 -15.123 1.00 0.23 H new ATOM 0 HA ASP A 71 0.386 -3.294 -16.847 1.00 54.51 H new ATOM 0 HB2 ASP A 71 -0.134 -2.446 -13.979 1.00 11.01 H new ATOM 0 HB3 ASP A 71 -1.159 -3.681 -14.684 1.00 11.01 H new ATOM 1153 N ASP A 72 -2.175 -1.546 -15.750 1.00 43.12 N ATOM 1154 CA ASP A 72 -3.507 -1.065 -16.117 1.00 20.24 C ATOM 1155 C ASP A 72 -3.449 0.412 -16.450 1.00 75.14 C ATOM 1156 O ASP A 72 -3.860 1.258 -15.657 1.00 54.22 O ATOM 1157 CB ASP A 72 -4.486 -1.296 -14.964 1.00 52.33 C ATOM 1158 CG ASP A 72 -4.777 -2.785 -14.818 1.00 41.20 C ATOM 1159 OD1 ASP A 72 -4.432 -3.528 -15.722 1.00 10.34 O ATOM 1160 OD2 ASP A 72 -5.342 -3.161 -13.804 1.00 10.50 O ATOM 0 H ASP A 72 -1.938 -1.429 -14.765 1.00 43.12 H new ATOM 0 HA ASP A 72 -3.851 -1.617 -16.992 1.00 20.24 H new ATOM 0 HB2 ASP A 72 -4.067 -0.906 -14.036 1.00 52.33 H new ATOM 0 HB3 ASP A 72 -5.413 -0.752 -15.148 1.00 52.33 H new ATOM 1165 N GLY A 73 -2.910 0.719 -17.618 1.00 10.12 N ATOM 1166 CA GLY A 73 -2.773 2.102 -18.026 1.00 34.13 C ATOM 1167 C GLY A 73 -1.602 2.720 -17.283 1.00 54.02 C ATOM 1168 O GLY A 73 -0.451 2.573 -17.694 1.00 71.12 O ATOM 0 H GLY A 73 -2.564 0.036 -18.292 1.00 10.12 H new ATOM 0 HA2 GLY A 73 -2.611 2.163 -19.102 1.00 34.13 H new ATOM 0 HA3 GLY A 73 -3.689 2.651 -17.810 1.00 34.13 H new ATOM 1172 N GLU A 74 -1.890 3.369 -16.157 1.00 23.14 N ATOM 1173 CA GLU A 74 -0.843 3.957 -15.327 1.00 13.14 C ATOM 1174 C GLU A 74 -0.997 3.498 -13.881 1.00 63.23 C ATOM 1175 O GLU A 74 -1.725 4.125 -13.111 1.00 12.44 O ATOM 1176 CB GLU A 74 -0.916 5.480 -15.386 1.00 31.33 C ATOM 1177 CG GLU A 74 -0.481 5.963 -16.770 1.00 23.31 C ATOM 1178 CD GLU A 74 1.010 5.713 -16.967 1.00 4.33 C ATOM 1179 OE1 GLU A 74 1.684 5.461 -15.981 1.00 20.24 O ATOM 1180 OE2 GLU A 74 1.457 5.777 -18.101 1.00 12.03 O ATOM 0 H GLU A 74 -2.836 3.500 -15.800 1.00 23.14 H new ATOM 0 HA GLU A 74 0.124 3.628 -15.708 1.00 13.14 H new ATOM 0 HB2 GLU A 74 -1.932 5.813 -15.177 1.00 31.33 H new ATOM 0 HB3 GLU A 74 -0.274 5.915 -14.620 1.00 31.33 H new ATOM 0 HG2 GLU A 74 -1.050 5.443 -17.541 1.00 23.31 H new ATOM 0 HG3 GLU A 74 -0.697 7.026 -16.877 1.00 23.31 H new ATOM 1187 N VAL A 75 -0.323 2.419 -13.495 1.00 55.32 N ATOM 1188 CA VAL A 75 -0.408 1.914 -12.127 1.00 2.32 C ATOM 1189 C VAL A 75 0.983 1.543 -11.651 1.00 1.22 C ATOM 1190 O VAL A 75 1.835 1.226 -12.466 1.00 63.33 O ATOM 1191 CB VAL A 75 -1.312 0.683 -12.066 1.00 64.11 C ATOM 1192 CG1 VAL A 75 -1.446 0.215 -10.606 1.00 32.41 C ATOM 1193 CG2 VAL A 75 -2.688 1.042 -12.640 1.00 24.21 C ATOM 0 H VAL A 75 0.287 1.878 -14.108 1.00 55.32 H new ATOM 0 HA VAL A 75 -0.830 2.688 -11.486 1.00 2.32 H new ATOM 0 HB VAL A 75 -0.880 -0.126 -12.654 1.00 64.11 H new ATOM 0 HG11 VAL A 75 -2.091 -0.663 -10.563 1.00 32.41 H new ATOM 0 HG12 VAL A 75 -0.461 -0.038 -10.213 1.00 32.41 H new ATOM 0 HG13 VAL A 75 -1.881 1.014 -10.006 1.00 32.41 H new ATOM 0 HG21 VAL A 75 -3.338 0.168 -12.600 1.00 24.21 H new ATOM 0 HG22 VAL A 75 -3.128 1.849 -12.054 1.00 24.21 H new ATOM 0 HG23 VAL A 75 -2.577 1.364 -13.675 1.00 24.21 H new ATOM 1203 N TYR A 76 1.226 1.616 -10.346 1.00 0.10 N ATOM 1204 CA TYR A 76 2.575 1.307 -9.827 1.00 1.14 C ATOM 1205 C TYR A 76 2.615 -0.055 -9.148 1.00 33.00 C ATOM 1206 O TYR A 76 1.675 -0.424 -8.460 1.00 22.34 O ATOM 1207 CB TYR A 76 3.005 2.391 -8.806 1.00 54.13 C ATOM 1208 CG TYR A 76 3.520 1.750 -7.515 1.00 60.11 C ATOM 1209 CD1 TYR A 76 4.640 0.904 -7.536 1.00 41.13 C ATOM 1210 CD2 TYR A 76 2.862 1.990 -6.302 1.00 43.42 C ATOM 1211 CE1 TYR A 76 5.091 0.308 -6.355 1.00 12.03 C ATOM 1212 CE2 TYR A 76 3.320 1.393 -5.121 1.00 70.24 C ATOM 1213 CZ TYR A 76 4.432 0.554 -5.148 1.00 20.12 C ATOM 1214 OH TYR A 76 4.880 -0.031 -3.981 1.00 14.42 O ATOM 0 H TYR A 76 0.538 1.877 -9.639 1.00 0.10 H new ATOM 0 HA TYR A 76 3.260 1.291 -10.675 1.00 1.14 H new ATOM 0 HB2 TYR A 76 3.783 3.018 -9.241 1.00 54.13 H new ATOM 0 HB3 TYR A 76 2.159 3.041 -8.582 1.00 54.13 H new ATOM 0 HD1 TYR A 76 5.154 0.713 -8.466 1.00 41.13 H new ATOM 0 HD2 TYR A 76 1.998 2.638 -6.277 1.00 43.42 H new ATOM 0 HE1 TYR A 76 5.951 -0.345 -6.376 1.00 12.03 H new ATOM 0 HE2 TYR A 76 2.811 1.583 -4.188 1.00 70.24 H new ATOM 0 HH TYR A 76 4.344 -0.828 -3.788 1.00 14.42 H new ATOM 1224 N TYR A 77 3.732 -0.806 -9.332 1.00 45.44 N ATOM 1225 CA TYR A 77 3.845 -2.111 -8.697 1.00 15.32 C ATOM 1226 C TYR A 77 5.268 -2.400 -8.196 1.00 5.31 C ATOM 1227 O TYR A 77 6.237 -2.303 -8.946 1.00 31.34 O ATOM 1228 CB TYR A 77 3.407 -3.202 -9.682 1.00 12.41 C ATOM 1229 CG TYR A 77 3.687 -4.569 -9.099 1.00 31.32 C ATOM 1230 CD1 TYR A 77 2.781 -5.150 -8.204 1.00 31.00 C ATOM 1231 CD2 TYR A 77 4.852 -5.255 -9.460 1.00 34.24 C ATOM 1232 CE1 TYR A 77 3.042 -6.417 -7.667 1.00 50.53 C ATOM 1233 CE2 TYR A 77 5.113 -6.522 -8.924 1.00 75.04 C ATOM 1234 CZ TYR A 77 4.208 -7.103 -8.028 1.00 51.15 C ATOM 1235 OH TYR A 77 4.465 -8.351 -7.500 1.00 14.13 O ATOM 0 H TYR A 77 4.533 -0.528 -9.898 1.00 45.44 H new ATOM 0 HA TYR A 77 3.192 -2.108 -7.824 1.00 15.32 H new ATOM 0 HB2 TYR A 77 2.344 -3.101 -9.899 1.00 12.41 H new ATOM 0 HB3 TYR A 77 3.938 -3.085 -10.627 1.00 12.41 H new ATOM 0 HD1 TYR A 77 1.881 -4.621 -7.928 1.00 31.00 H new ATOM 0 HD2 TYR A 77 5.550 -4.807 -10.152 1.00 34.24 H new ATOM 0 HE1 TYR A 77 2.344 -6.865 -6.975 1.00 50.53 H new ATOM 0 HE2 TYR A 77 6.013 -7.051 -9.202 1.00 75.04 H new ATOM 0 HH TYR A 77 5.314 -8.688 -7.855 1.00 14.13 H new ATOM 1245 N SER A 78 5.385 -2.763 -6.913 1.00 33.44 N ATOM 1246 CA SER A 78 6.689 -3.084 -6.326 1.00 51.31 C ATOM 1247 C SER A 78 6.776 -4.583 -6.046 1.00 44.42 C ATOM 1248 O SER A 78 6.217 -5.079 -5.067 1.00 55.11 O ATOM 1249 CB SER A 78 6.898 -2.304 -5.020 1.00 53.44 C ATOM 1250 OG SER A 78 7.762 -1.202 -5.266 1.00 70.33 O ATOM 0 H SER A 78 4.599 -2.841 -6.267 1.00 33.44 H new ATOM 0 HA SER A 78 7.468 -2.800 -7.034 1.00 51.31 H new ATOM 0 HB2 SER A 78 5.941 -1.952 -4.636 1.00 53.44 H new ATOM 0 HB3 SER A 78 7.327 -2.955 -4.258 1.00 53.44 H new ATOM 0 HG SER A 78 7.472 -0.433 -4.732 1.00 70.33 H new ATOM 1256 N GLU A 79 7.476 -5.290 -6.917 1.00 64.42 N ATOM 1257 CA GLU A 79 7.630 -6.730 -6.768 1.00 30.01 C ATOM 1258 C GLU A 79 8.085 -7.081 -5.353 1.00 2.23 C ATOM 1259 O GLU A 79 7.719 -8.126 -4.813 1.00 4.33 O ATOM 1260 CB GLU A 79 8.652 -7.251 -7.780 1.00 33.30 C ATOM 1261 CG GLU A 79 8.605 -8.779 -7.814 1.00 30.34 C ATOM 1262 CD GLU A 79 9.650 -9.310 -8.789 1.00 33.33 C ATOM 1263 OE1 GLU A 79 10.317 -8.501 -9.412 1.00 65.52 O ATOM 1264 OE2 GLU A 79 9.770 -10.520 -8.898 1.00 23.34 O ATOM 0 H GLU A 79 7.945 -4.894 -7.732 1.00 64.42 H new ATOM 0 HA GLU A 79 6.664 -7.200 -6.951 1.00 30.01 H new ATOM 0 HB2 GLU A 79 8.437 -6.848 -8.770 1.00 33.30 H new ATOM 0 HB3 GLU A 79 9.652 -6.914 -7.509 1.00 33.30 H new ATOM 0 HG2 GLU A 79 8.789 -9.179 -6.817 1.00 30.34 H new ATOM 0 HG3 GLU A 79 7.612 -9.114 -8.114 1.00 30.34 H new ATOM 1271 N GLU A 80 8.893 -6.206 -4.762 1.00 4.13 N ATOM 1272 CA GLU A 80 9.406 -6.433 -3.412 1.00 34.44 C ATOM 1273 C GLU A 80 8.396 -6.034 -2.330 1.00 22.20 C ATOM 1274 O GLU A 80 8.235 -6.741 -1.336 1.00 25.24 O ATOM 1275 CB GLU A 80 10.696 -5.639 -3.213 1.00 1.22 C ATOM 1276 CG GLU A 80 11.783 -6.189 -4.140 1.00 12.50 C ATOM 1277 CD GLU A 80 13.099 -5.460 -3.891 1.00 21.23 C ATOM 1278 OE1 GLU A 80 13.085 -4.489 -3.152 1.00 33.43 O ATOM 1279 OE2 GLU A 80 14.102 -5.883 -4.441 1.00 3.01 O ATOM 0 H GLU A 80 9.206 -5.336 -5.193 1.00 4.13 H new ATOM 0 HA GLU A 80 9.595 -7.502 -3.312 1.00 34.44 H new ATOM 0 HB2 GLU A 80 10.522 -4.584 -3.425 1.00 1.22 H new ATOM 0 HB3 GLU A 80 11.020 -5.707 -2.175 1.00 1.22 H new ATOM 0 HG2 GLU A 80 11.912 -7.258 -3.969 1.00 12.50 H new ATOM 0 HG3 GLU A 80 11.481 -6.067 -5.180 1.00 12.50 H new ATOM 1286 N ALA A 81 7.748 -4.883 -2.508 1.00 25.42 N ATOM 1287 CA ALA A 81 6.792 -4.387 -1.511 1.00 41.45 C ATOM 1288 C ALA A 81 5.368 -4.896 -1.757 1.00 51.33 C ATOM 1289 O ALA A 81 4.440 -4.481 -1.064 1.00 34.11 O ATOM 1290 CB ALA A 81 6.791 -2.852 -1.520 1.00 41.11 C ATOM 0 H ALA A 81 7.864 -4.280 -3.323 1.00 25.42 H new ATOM 0 HA ALA A 81 7.112 -4.766 -0.540 1.00 41.45 H new ATOM 0 HB1 ALA A 81 6.081 -2.484 -0.779 1.00 41.11 H new ATOM 0 HB2 ALA A 81 7.789 -2.486 -1.279 1.00 41.11 H new ATOM 0 HB3 ALA A 81 6.502 -2.494 -2.508 1.00 41.11 H new ATOM 1296 N LYS A 82 5.202 -5.792 -2.733 1.00 51.43 N ATOM 1297 CA LYS A 82 3.877 -6.348 -3.052 1.00 20.21 C ATOM 1298 C LYS A 82 2.767 -5.353 -2.723 1.00 61.12 C ATOM 1299 O LYS A 82 1.823 -5.657 -1.984 1.00 24.41 O ATOM 1300 CB LYS A 82 3.652 -7.649 -2.279 1.00 71.13 C ATOM 1301 CG LYS A 82 4.733 -8.663 -2.661 1.00 50.23 C ATOM 1302 CD LYS A 82 4.356 -10.047 -2.123 1.00 25.51 C ATOM 1303 CE LYS A 82 4.333 -10.023 -0.591 1.00 23.00 C ATOM 1304 NZ LYS A 82 3.031 -9.471 -0.121 1.00 51.05 N ATOM 0 H LYS A 82 5.960 -6.148 -3.315 1.00 51.43 H new ATOM 0 HA LYS A 82 3.847 -6.553 -4.122 1.00 20.21 H new ATOM 0 HB2 LYS A 82 3.681 -7.457 -1.206 1.00 71.13 H new ATOM 0 HB3 LYS A 82 2.665 -8.052 -2.504 1.00 71.13 H new ATOM 0 HG2 LYS A 82 4.843 -8.701 -3.745 1.00 50.23 H new ATOM 0 HG3 LYS A 82 5.696 -8.354 -2.254 1.00 50.23 H new ATOM 0 HD2 LYS A 82 3.379 -10.341 -2.505 1.00 25.51 H new ATOM 0 HD3 LYS A 82 5.072 -10.790 -2.473 1.00 25.51 H new ATOM 0 HE2 LYS A 82 4.476 -11.030 -0.199 1.00 23.00 H new ATOM 0 HE3 LYS A 82 5.155 -9.415 -0.214 1.00 23.00 H new ATOM 0 HZ1 LYS A 82 3.166 -8.493 0.205 1.00 51.05 H new ATOM 0 HZ2 LYS A 82 2.346 -9.484 -0.903 1.00 51.05 H new ATOM 0 HZ3 LYS A 82 2.671 -10.051 0.664 1.00 51.05 H new ATOM 1318 N LYS A 83 2.901 -4.170 -3.298 1.00 61.34 N ATOM 1319 CA LYS A 83 1.931 -3.098 -3.096 1.00 5.42 C ATOM 1320 C LYS A 83 1.879 -2.193 -4.320 1.00 43.43 C ATOM 1321 O LYS A 83 2.914 -1.751 -4.821 1.00 51.02 O ATOM 1322 CB LYS A 83 2.317 -2.270 -1.867 1.00 12.21 C ATOM 1323 CG LYS A 83 1.151 -1.359 -1.473 1.00 44.23 C ATOM 1324 CD LYS A 83 1.654 -0.244 -0.551 1.00 74.25 C ATOM 1325 CE LYS A 83 2.271 -0.852 0.710 1.00 0.32 C ATOM 1326 NZ LYS A 83 1.364 -1.904 1.253 1.00 40.13 N ATOM 0 H LYS A 83 3.676 -3.923 -3.913 1.00 61.34 H new ATOM 0 HA LYS A 83 0.949 -3.544 -2.941 1.00 5.42 H new ATOM 0 HB2 LYS A 83 2.572 -2.929 -1.038 1.00 12.21 H new ATOM 0 HB3 LYS A 83 3.202 -1.672 -2.083 1.00 12.21 H new ATOM 0 HG2 LYS A 83 0.696 -0.929 -2.365 1.00 44.23 H new ATOM 0 HG3 LYS A 83 0.378 -1.939 -0.969 1.00 44.23 H new ATOM 0 HD2 LYS A 83 2.393 0.365 -1.071 1.00 74.25 H new ATOM 0 HD3 LYS A 83 0.830 0.417 -0.281 1.00 74.25 H new ATOM 0 HE2 LYS A 83 3.246 -1.282 0.479 1.00 0.32 H new ATOM 0 HE3 LYS A 83 2.434 -0.076 1.458 1.00 0.32 H new ATOM 0 HZ1 LYS A 83 1.422 -1.911 2.291 1.00 40.13 H new ATOM 0 HZ2 LYS A 83 0.386 -1.703 0.963 1.00 40.13 H new ATOM 0 HZ3 LYS A 83 1.650 -2.833 0.884 1.00 40.13 H new ATOM 1340 N LYS A 84 0.669 -1.939 -4.810 1.00 12.51 N ATOM 1341 CA LYS A 84 0.488 -1.103 -5.996 1.00 13.44 C ATOM 1342 C LYS A 84 -0.552 -0.023 -5.761 1.00 44.44 C ATOM 1343 O LYS A 84 -1.526 -0.228 -5.037 1.00 11.55 O ATOM 1344 CB LYS A 84 0.062 -1.971 -7.187 1.00 32.15 C ATOM 1345 CG LYS A 84 -1.050 -2.931 -6.764 1.00 61.44 C ATOM 1346 CD LYS A 84 -1.340 -3.910 -7.903 1.00 25.05 C ATOM 1347 CE LYS A 84 -2.559 -4.762 -7.547 1.00 75.31 C ATOM 1348 NZ LYS A 84 -2.722 -5.844 -8.557 1.00 64.50 N ATOM 0 H LYS A 84 -0.197 -2.297 -4.408 1.00 12.51 H new ATOM 0 HA LYS A 84 1.441 -0.619 -6.211 1.00 13.44 H new ATOM 0 HB2 LYS A 84 -0.284 -1.338 -8.004 1.00 32.15 H new ATOM 0 HB3 LYS A 84 0.917 -2.534 -7.561 1.00 32.15 H new ATOM 0 HG2 LYS A 84 -0.753 -3.476 -5.868 1.00 61.44 H new ATOM 0 HG3 LYS A 84 -1.951 -2.372 -6.512 1.00 61.44 H new ATOM 0 HD2 LYS A 84 -1.523 -3.364 -8.828 1.00 25.05 H new ATOM 0 HD3 LYS A 84 -0.474 -4.549 -8.076 1.00 25.05 H new ATOM 0 HE2 LYS A 84 -2.437 -5.193 -6.553 1.00 75.31 H new ATOM 0 HE3 LYS A 84 -3.454 -4.140 -7.517 1.00 75.31 H new ATOM 0 HZ1 LYS A 84 -3.551 -6.423 -8.315 1.00 64.50 H new ATOM 0 HZ2 LYS A 84 -2.857 -5.423 -9.498 1.00 64.50 H new ATOM 0 HZ3 LYS A 84 -1.872 -6.443 -8.565 1.00 64.50 H new ATOM 1362 N VAL A 85 -0.347 1.125 -6.410 1.00 1.33 N ATOM 1363 CA VAL A 85 -1.290 2.230 -6.294 1.00 51.31 C ATOM 1364 C VAL A 85 -1.606 2.792 -7.674 1.00 52.24 C ATOM 1365 O VAL A 85 -0.717 2.999 -8.501 1.00 71.10 O ATOM 1366 CB VAL A 85 -0.779 3.320 -5.313 1.00 52.31 C ATOM 1367 CG1 VAL A 85 -0.035 2.653 -4.151 1.00 41.50 C ATOM 1368 CG2 VAL A 85 0.146 4.391 -5.983 1.00 71.05 C ATOM 0 H VAL A 85 0.454 1.309 -7.013 1.00 1.33 H new ATOM 0 HA VAL A 85 -2.219 1.852 -5.866 1.00 51.31 H new ATOM 0 HB VAL A 85 -1.660 3.854 -4.958 1.00 52.31 H new ATOM 0 HG11 VAL A 85 0.324 3.418 -3.462 1.00 41.50 H new ATOM 0 HG12 VAL A 85 -0.711 1.979 -3.625 1.00 41.50 H new ATOM 0 HG13 VAL A 85 0.812 2.087 -4.538 1.00 41.50 H new ATOM 0 HG21 VAL A 85 0.462 5.118 -5.235 1.00 71.05 H new ATOM 0 HG22 VAL A 85 1.023 3.901 -6.406 1.00 71.05 H new ATOM 0 HG23 VAL A 85 -0.402 4.901 -6.775 1.00 71.05 H new ATOM 1378 N GLU A 86 -2.898 2.972 -7.935 1.00 5.11 N ATOM 1379 CA GLU A 86 -3.351 3.446 -9.238 1.00 3.32 C ATOM 1380 C GLU A 86 -4.114 4.750 -9.118 1.00 11.42 C ATOM 1381 O GLU A 86 -5.047 4.877 -8.325 1.00 54.22 O ATOM 1382 CB GLU A 86 -4.266 2.388 -9.875 1.00 11.43 C ATOM 1383 CG GLU A 86 -5.043 2.998 -11.052 1.00 22.21 C ATOM 1384 CD GLU A 86 -5.544 1.894 -11.980 1.00 63.34 C ATOM 1385 OE1 GLU A 86 -5.899 0.841 -11.477 1.00 62.21 O ATOM 1386 OE2 GLU A 86 -5.565 2.119 -13.178 1.00 63.21 O ATOM 0 H GLU A 86 -3.646 2.797 -7.264 1.00 5.11 H new ATOM 0 HA GLU A 86 -2.472 3.616 -9.860 1.00 3.32 H new ATOM 0 HB2 GLU A 86 -3.671 1.543 -10.221 1.00 11.43 H new ATOM 0 HB3 GLU A 86 -4.963 2.003 -9.130 1.00 11.43 H new ATOM 0 HG2 GLU A 86 -5.886 3.580 -10.679 1.00 22.21 H new ATOM 0 HG3 GLU A 86 -4.401 3.684 -11.604 1.00 22.21 H new ATOM 1393 N VAL A 87 -3.714 5.709 -9.936 1.00 0.33 N ATOM 1394 CA VAL A 87 -4.373 7.008 -9.945 1.00 31.11 C ATOM 1395 C VAL A 87 -5.873 6.825 -10.184 1.00 2.45 C ATOM 1396 O VAL A 87 -6.312 6.588 -11.308 1.00 14.23 O ATOM 1397 CB VAL A 87 -3.768 7.907 -11.035 1.00 63.04 C ATOM 1398 CG1 VAL A 87 -3.744 7.172 -12.383 1.00 51.21 C ATOM 1399 CG2 VAL A 87 -4.604 9.186 -11.164 1.00 34.51 C ATOM 0 H VAL A 87 -2.943 5.616 -10.598 1.00 0.33 H new ATOM 0 HA VAL A 87 -4.222 7.488 -8.978 1.00 31.11 H new ATOM 0 HB VAL A 87 -2.746 8.161 -10.755 1.00 63.04 H new ATOM 0 HG11 VAL A 87 -3.313 7.822 -13.144 1.00 51.21 H new ATOM 0 HG12 VAL A 87 -3.141 6.268 -12.294 1.00 51.21 H new ATOM 0 HG13 VAL A 87 -4.761 6.903 -12.669 1.00 51.21 H new ATOM 0 HG21 VAL A 87 -4.176 9.824 -11.937 1.00 34.51 H new ATOM 0 HG22 VAL A 87 -5.627 8.926 -11.434 1.00 34.51 H new ATOM 0 HG23 VAL A 87 -4.604 9.718 -10.213 1.00 34.51 H new ATOM 1409 N LEU A 88 -6.652 6.919 -9.107 1.00 41.20 N ATOM 1410 CA LEU A 88 -8.104 6.747 -9.191 1.00 43.03 C ATOM 1411 C LEU A 88 -8.796 8.099 -9.384 1.00 34.50 C ATOM 1412 O LEU A 88 -9.923 8.171 -9.870 1.00 31.10 O ATOM 1413 CB LEU A 88 -8.604 6.068 -7.900 1.00 35.44 C ATOM 1414 CG LEU A 88 -9.776 5.110 -8.187 1.00 11.52 C ATOM 1415 CD1 LEU A 88 -10.908 5.869 -8.883 1.00 53.12 C ATOM 1416 CD2 LEU A 88 -9.309 3.937 -9.073 1.00 21.43 C ATOM 0 H LEU A 88 -6.304 7.113 -8.168 1.00 41.20 H new ATOM 0 HA LEU A 88 -8.345 6.121 -10.050 1.00 43.03 H new ATOM 0 HB2 LEU A 88 -7.786 5.516 -7.437 1.00 35.44 H new ATOM 0 HB3 LEU A 88 -8.920 6.828 -7.186 1.00 35.44 H new ATOM 0 HG LEU A 88 -10.139 4.709 -7.241 1.00 11.52 H new ATOM 0 HD11 LEU A 88 -11.734 5.187 -9.084 1.00 53.12 H new ATOM 0 HD12 LEU A 88 -11.254 6.678 -8.239 1.00 53.12 H new ATOM 0 HD13 LEU A 88 -10.544 6.284 -9.823 1.00 53.12 H new ATOM 0 HD21 LEU A 88 -10.149 3.270 -9.266 1.00 21.43 H new ATOM 0 HD22 LEU A 88 -8.928 4.324 -10.018 1.00 21.43 H new ATOM 0 HD23 LEU A 88 -8.519 3.387 -8.562 1.00 21.43 H new ATOM 1428 N ASP A 89 -8.099 9.172 -9.033 1.00 52.04 N ATOM 1429 CA ASP A 89 -8.619 10.524 -9.185 1.00 22.30 C ATOM 1430 C ASP A 89 -7.577 11.497 -8.641 1.00 51.35 C ATOM 1431 O ASP A 89 -7.130 11.360 -7.503 1.00 43.23 O ATOM 1432 CB ASP A 89 -9.943 10.703 -8.421 1.00 5.43 C ATOM 1433 CG ASP A 89 -10.920 11.552 -9.233 1.00 21.30 C ATOM 1434 OD1 ASP A 89 -10.862 12.764 -9.114 1.00 41.13 O ATOM 1435 OD2 ASP A 89 -11.711 10.974 -9.961 1.00 2.35 O ATOM 0 H ASP A 89 -7.160 9.130 -8.636 1.00 52.04 H new ATOM 0 HA ASP A 89 -8.817 10.716 -10.240 1.00 22.30 H new ATOM 0 HB2 ASP A 89 -10.385 9.728 -8.214 1.00 5.43 H new ATOM 0 HB3 ASP A 89 -9.753 11.178 -7.458 1.00 5.43 H new ATOM 1440 N THR A 90 -7.170 12.456 -9.457 1.00 4.01 N ATOM 1441 CA THR A 90 -6.155 13.415 -9.032 1.00 50.20 C ATOM 1442 C THR A 90 -6.359 14.747 -9.763 1.00 53.34 C ATOM 1443 O THR A 90 -6.475 14.785 -10.987 1.00 62.12 O ATOM 1444 CB THR A 90 -4.758 12.794 -9.309 1.00 11.42 C ATOM 1445 OG1 THR A 90 -3.889 12.945 -8.187 1.00 65.02 O ATOM 1446 CG2 THR A 90 -4.099 13.432 -10.535 1.00 13.20 C ATOM 0 H THR A 90 -7.519 12.593 -10.405 1.00 4.01 H new ATOM 0 HA THR A 90 -6.235 13.627 -7.966 1.00 50.20 H new ATOM 0 HB THR A 90 -4.919 11.733 -9.497 1.00 11.42 H new ATOM 0 HG1 THR A 90 -3.117 13.492 -8.442 1.00 65.02 H new ATOM 0 HG21 THR A 90 -3.123 12.976 -10.702 1.00 13.20 H new ATOM 0 HG22 THR A 90 -4.729 13.273 -11.410 1.00 13.20 H new ATOM 0 HG23 THR A 90 -3.975 14.502 -10.366 1.00 13.20 H new ATOM 1454 N ASP A 91 -6.396 15.836 -8.999 1.00 20.02 N ATOM 1455 CA ASP A 91 -6.575 17.165 -9.590 1.00 42.32 C ATOM 1456 C ASP A 91 -5.595 18.141 -8.964 1.00 61.40 C ATOM 1457 O ASP A 91 -5.318 19.213 -9.502 1.00 3.42 O ATOM 1458 CB ASP A 91 -8.006 17.654 -9.357 1.00 65.05 C ATOM 1459 CG ASP A 91 -8.227 18.983 -10.069 1.00 11.04 C ATOM 1460 OD1 ASP A 91 -7.333 19.404 -10.785 1.00 44.42 O ATOM 1461 OD2 ASP A 91 -9.286 19.561 -9.890 1.00 64.23 O ATOM 0 H ASP A 91 -6.306 15.829 -7.983 1.00 20.02 H new ATOM 0 HA ASP A 91 -6.389 17.103 -10.662 1.00 42.32 H new ATOM 0 HB2 ASP A 91 -8.716 16.913 -9.724 1.00 65.05 H new ATOM 0 HB3 ASP A 91 -8.190 17.770 -8.289 1.00 65.05 H new ATOM 1466 N TYR A 92 -5.099 17.751 -7.807 1.00 72.23 N ATOM 1467 CA TYR A 92 -4.165 18.557 -7.043 1.00 13.20 C ATOM 1468 C TYR A 92 -4.714 19.968 -6.831 1.00 10.24 C ATOM 1469 O TYR A 92 -4.038 20.825 -6.262 1.00 24.32 O ATOM 1470 CB TYR A 92 -2.829 18.659 -7.781 1.00 41.21 C ATOM 1471 CG TYR A 92 -2.400 17.304 -8.307 1.00 42.22 C ATOM 1472 CD1 TYR A 92 -2.459 16.166 -7.487 1.00 52.12 C ATOM 1473 CD2 TYR A 92 -1.923 17.192 -9.620 1.00 15.23 C ATOM 1474 CE1 TYR A 92 -2.044 14.925 -7.983 1.00 45.31 C ATOM 1475 CE2 TYR A 92 -1.507 15.951 -10.112 1.00 44.32 C ATOM 1476 CZ TYR A 92 -1.567 14.818 -9.294 1.00 34.02 C ATOM 1477 OH TYR A 92 -1.154 13.597 -9.781 1.00 33.51 O ATOM 0 H TYR A 92 -5.333 16.861 -7.367 1.00 72.23 H new ATOM 0 HA TYR A 92 -4.021 18.075 -6.076 1.00 13.20 H new ATOM 0 HB2 TYR A 92 -2.918 19.364 -8.608 1.00 41.21 H new ATOM 0 HB3 TYR A 92 -2.066 19.051 -7.109 1.00 41.21 H new ATOM 0 HD1 TYR A 92 -2.824 16.248 -6.474 1.00 52.12 H new ATOM 0 HD2 TYR A 92 -1.877 18.066 -10.253 1.00 15.23 H new ATOM 0 HE1 TYR A 92 -2.092 14.049 -7.353 1.00 45.31 H new ATOM 0 HE2 TYR A 92 -1.139 15.867 -11.124 1.00 44.32 H new ATOM 0 HH TYR A 92 -1.157 13.617 -10.761 1.00 33.51 H new ATOM 1487 N LYS A 93 -5.935 20.207 -7.298 1.00 22.31 N ATOM 1488 CA LYS A 93 -6.548 21.521 -7.157 1.00 51.55 C ATOM 1489 C LYS A 93 -7.055 21.703 -5.739 1.00 42.14 C ATOM 1490 O LYS A 93 -7.004 22.798 -5.180 1.00 13.41 O ATOM 1491 CB LYS A 93 -7.708 21.671 -8.144 1.00 71.21 C ATOM 1492 CG LYS A 93 -8.212 23.115 -8.125 1.00 64.03 C ATOM 1493 CD LYS A 93 -9.416 23.248 -9.059 1.00 73.04 C ATOM 1494 CE LYS A 93 -9.923 24.692 -9.036 1.00 51.21 C ATOM 1495 NZ LYS A 93 -10.871 24.904 -10.166 1.00 51.31 N ATOM 0 H LYS A 93 -6.514 19.515 -7.773 1.00 22.31 H new ATOM 0 HA LYS A 93 -5.799 22.284 -7.372 1.00 51.55 H new ATOM 0 HB2 LYS A 93 -7.382 21.402 -9.149 1.00 71.21 H new ATOM 0 HB3 LYS A 93 -8.516 20.989 -7.878 1.00 71.21 H new ATOM 0 HG2 LYS A 93 -8.492 23.400 -7.111 1.00 64.03 H new ATOM 0 HG3 LYS A 93 -7.418 23.793 -8.439 1.00 64.03 H new ATOM 0 HD2 LYS A 93 -9.135 22.966 -10.074 1.00 73.04 H new ATOM 0 HD3 LYS A 93 -10.209 22.568 -8.747 1.00 73.04 H new ATOM 0 HE2 LYS A 93 -10.419 24.900 -8.088 1.00 51.21 H new ATOM 0 HE3 LYS A 93 -9.085 25.384 -9.116 1.00 51.21 H new ATOM 0 HZ1 LYS A 93 -11.216 25.885 -10.151 1.00 51.31 H new ATOM 0 HZ2 LYS A 93 -10.384 24.722 -11.067 1.00 51.31 H new ATOM 0 HZ3 LYS A 93 -11.676 24.253 -10.070 1.00 51.31 H new ATOM 1509 N SER A 94 -7.541 20.613 -5.164 1.00 73.00 N ATOM 1510 CA SER A 94 -8.056 20.641 -3.808 1.00 23.01 C ATOM 1511 C SER A 94 -7.962 19.259 -3.179 1.00 63.33 C ATOM 1512 O SER A 94 -7.982 19.127 -1.955 1.00 12.21 O ATOM 1513 CB SER A 94 -9.513 21.105 -3.811 1.00 22.22 C ATOM 1514 OG SER A 94 -10.107 20.793 -2.558 1.00 61.41 O ATOM 0 H SER A 94 -7.588 19.700 -5.617 1.00 73.00 H new ATOM 0 HA SER A 94 -7.457 21.339 -3.223 1.00 23.01 H new ATOM 0 HB2 SER A 94 -9.565 22.178 -3.994 1.00 22.22 H new ATOM 0 HB3 SER A 94 -10.060 20.617 -4.618 1.00 22.22 H new ATOM 0 HG SER A 94 -11.041 21.090 -2.556 1.00 61.41 H new ATOM 1520 N TYR A 95 -7.876 18.223 -4.014 1.00 21.41 N ATOM 1521 CA TYR A 95 -7.804 16.869 -3.490 1.00 74.45 C ATOM 1522 C TYR A 95 -7.451 15.837 -4.561 1.00 73.30 C ATOM 1523 O TYR A 95 -7.488 16.103 -5.774 1.00 21.12 O ATOM 1524 CB TYR A 95 -9.148 16.502 -2.871 1.00 12.22 C ATOM 1525 CG TYR A 95 -10.216 16.577 -3.936 1.00 4.10 C ATOM 1526 CD1 TYR A 95 -10.394 15.510 -4.824 1.00 4.13 C ATOM 1527 CD2 TYR A 95 -11.022 17.718 -4.040 1.00 42.22 C ATOM 1528 CE1 TYR A 95 -11.380 15.583 -5.815 1.00 30.41 C ATOM 1529 CE2 TYR A 95 -12.009 17.789 -5.031 1.00 41.31 C ATOM 1530 CZ TYR A 95 -12.187 16.721 -5.919 1.00 32.24 C ATOM 1531 OH TYR A 95 -13.158 16.792 -6.896 1.00 14.31 O ATOM 0 H TYR A 95 -7.855 18.296 -5.031 1.00 21.41 H new ATOM 0 HA TYR A 95 -7.008 16.851 -2.745 1.00 74.45 H new ATOM 0 HB2 TYR A 95 -9.107 15.498 -2.449 1.00 12.22 H new ATOM 0 HB3 TYR A 95 -9.384 17.182 -2.053 1.00 12.22 H new ATOM 0 HD1 TYR A 95 -9.771 14.631 -4.745 1.00 4.13 H new ATOM 0 HD2 TYR A 95 -10.882 18.542 -3.356 1.00 42.22 H new ATOM 0 HE1 TYR A 95 -11.518 14.760 -6.500 1.00 30.41 H new ATOM 0 HE2 TYR A 95 -12.633 18.667 -5.110 1.00 41.31 H new ATOM 0 HH TYR A 95 -13.629 17.649 -6.828 1.00 14.31 H new ATOM 1541 N ALA A 96 -7.117 14.643 -4.084 1.00 52.13 N ATOM 1542 CA ALA A 96 -6.772 13.529 -4.954 1.00 33.31 C ATOM 1543 C ALA A 96 -7.313 12.240 -4.339 1.00 51.34 C ATOM 1544 O ALA A 96 -7.173 12.017 -3.136 1.00 74.13 O ATOM 1545 CB ALA A 96 -5.248 13.437 -5.129 1.00 55.32 C ATOM 0 H ALA A 96 -7.078 14.423 -3.089 1.00 52.13 H new ATOM 0 HA ALA A 96 -7.216 13.682 -5.938 1.00 33.31 H new ATOM 0 HB1 ALA A 96 -5.007 12.599 -5.782 1.00 55.32 H new ATOM 0 HB2 ALA A 96 -4.876 14.361 -5.572 1.00 55.32 H new ATOM 0 HB3 ALA A 96 -4.779 13.286 -4.157 1.00 55.32 H new ATOM 1551 N VAL A 97 -7.920 11.390 -5.164 1.00 72.44 N ATOM 1552 CA VAL A 97 -8.466 10.116 -4.674 1.00 13.52 C ATOM 1553 C VAL A 97 -7.757 8.991 -5.392 1.00 72.53 C ATOM 1554 O VAL A 97 -7.697 8.977 -6.621 1.00 70.24 O ATOM 1555 CB VAL A 97 -9.982 10.031 -4.909 1.00 62.23 C ATOM 1556 CG1 VAL A 97 -10.601 9.039 -3.920 1.00 23.52 C ATOM 1557 CG2 VAL A 97 -10.612 11.411 -4.698 1.00 63.21 C ATOM 0 H VAL A 97 -8.048 11.552 -6.163 1.00 72.44 H new ATOM 0 HA VAL A 97 -8.303 10.041 -3.599 1.00 13.52 H new ATOM 0 HB VAL A 97 -10.168 9.695 -5.929 1.00 62.23 H new ATOM 0 HG11 VAL A 97 -11.676 8.980 -4.088 1.00 23.52 H new ATOM 0 HG12 VAL A 97 -10.157 8.054 -4.066 1.00 23.52 H new ATOM 0 HG13 VAL A 97 -10.411 9.375 -2.901 1.00 23.52 H new ATOM 0 HG21 VAL A 97 -11.687 11.349 -4.865 1.00 63.21 H new ATOM 0 HG22 VAL A 97 -10.422 11.746 -3.678 1.00 63.21 H new ATOM 0 HG23 VAL A 97 -10.176 12.121 -5.400 1.00 63.21 H new ATOM 1567 N ILE A 98 -7.157 8.085 -4.632 1.00 33.53 N ATOM 1568 CA ILE A 98 -6.382 7.008 -5.220 1.00 24.44 C ATOM 1569 C ILE A 98 -6.784 5.639 -4.680 1.00 43.24 C ATOM 1570 O ILE A 98 -7.183 5.503 -3.524 1.00 11.30 O ATOM 1571 CB ILE A 98 -4.934 7.283 -4.866 1.00 61.12 C ATOM 1572 CG1 ILE A 98 -4.023 6.204 -5.430 1.00 24.14 C ATOM 1573 CG2 ILE A 98 -4.781 7.311 -3.346 1.00 14.43 C ATOM 1574 CD1 ILE A 98 -2.569 6.622 -5.203 1.00 65.13 C ATOM 0 H ILE A 98 -7.193 8.076 -3.613 1.00 33.53 H new ATOM 0 HA ILE A 98 -6.553 6.980 -6.296 1.00 24.44 H new ATOM 0 HB ILE A 98 -4.652 8.244 -5.296 1.00 61.12 H new ATOM 0 HG12 ILE A 98 -4.222 5.249 -4.944 1.00 24.14 H new ATOM 0 HG13 ILE A 98 -4.215 6.066 -6.494 1.00 24.14 H new ATOM 0 HG21 ILE A 98 -3.740 7.509 -3.089 1.00 14.43 H new ATOM 0 HG22 ILE A 98 -5.413 8.096 -2.931 1.00 14.43 H new ATOM 0 HG23 ILE A 98 -5.080 6.348 -2.932 1.00 14.43 H new ATOM 0 HD11 ILE A 98 -1.904 5.857 -5.603 1.00 65.13 H new ATOM 0 HD12 ILE A 98 -2.379 7.568 -5.709 1.00 65.13 H new ATOM 0 HD13 ILE A 98 -2.387 6.739 -4.135 1.00 65.13 H new ATOM 1586 N TYR A 99 -6.662 4.627 -5.535 1.00 42.22 N ATOM 1587 CA TYR A 99 -6.999 3.260 -5.150 1.00 30.30 C ATOM 1588 C TYR A 99 -5.737 2.512 -4.726 1.00 44.43 C ATOM 1589 O TYR A 99 -4.902 2.155 -5.557 1.00 15.43 O ATOM 1590 CB TYR A 99 -7.655 2.534 -6.326 1.00 65.05 C ATOM 1591 CG TYR A 99 -8.110 1.163 -5.883 1.00 52.20 C ATOM 1592 CD1 TYR A 99 -9.318 1.017 -5.191 1.00 52.24 C ATOM 1593 CD2 TYR A 99 -7.323 0.040 -6.163 1.00 20.23 C ATOM 1594 CE1 TYR A 99 -9.740 -0.254 -4.781 1.00 13.24 C ATOM 1595 CE2 TYR A 99 -7.744 -1.230 -5.753 1.00 53.13 C ATOM 1596 CZ TYR A 99 -8.953 -1.377 -5.061 1.00 44.45 C ATOM 1597 OH TYR A 99 -9.369 -2.630 -4.657 1.00 54.12 O ATOM 0 H TYR A 99 -6.334 4.727 -6.495 1.00 42.22 H new ATOM 0 HA TYR A 99 -7.696 3.291 -4.313 1.00 30.30 H new ATOM 0 HB2 TYR A 99 -8.505 3.109 -6.694 1.00 65.05 H new ATOM 0 HB3 TYR A 99 -6.949 2.445 -7.152 1.00 65.05 H new ATOM 0 HD1 TYR A 99 -9.924 1.884 -4.973 1.00 52.24 H new ATOM 0 HD2 TYR A 99 -6.390 0.154 -6.696 1.00 20.23 H new ATOM 0 HE1 TYR A 99 -10.673 -0.368 -4.249 1.00 13.24 H new ATOM 0 HE2 TYR A 99 -7.137 -2.097 -5.970 1.00 53.13 H new ATOM 0 HH TYR A 99 -8.707 -3.299 -4.932 1.00 54.12 H new ATOM 1607 N ALA A 100 -5.610 2.290 -3.421 1.00 14.23 N ATOM 1608 CA ALA A 100 -4.447 1.594 -2.870 1.00 62.31 C ATOM 1609 C ALA A 100 -4.806 0.158 -2.505 1.00 51.33 C ATOM 1610 O ALA A 100 -5.821 -0.092 -1.854 1.00 2.34 O ATOM 1611 CB ALA A 100 -3.943 2.327 -1.626 1.00 51.00 C ATOM 0 H ALA A 100 -6.296 2.581 -2.724 1.00 14.23 H new ATOM 0 HA ALA A 100 -3.663 1.579 -3.627 1.00 62.31 H new ATOM 0 HB1 ALA A 100 -3.077 1.803 -1.221 1.00 51.00 H new ATOM 0 HB2 ALA A 100 -3.659 3.345 -1.893 1.00 51.00 H new ATOM 0 HB3 ALA A 100 -4.733 2.356 -0.876 1.00 51.00 H new ATOM 1617 N THR A 101 -3.968 -0.784 -2.934 1.00 10.21 N ATOM 1618 CA THR A 101 -4.210 -2.197 -2.651 1.00 62.12 C ATOM 1619 C THR A 101 -2.902 -2.942 -2.402 1.00 40.43 C ATOM 1620 O THR A 101 -1.938 -2.803 -3.155 1.00 73.41 O ATOM 1621 CB THR A 101 -4.951 -2.840 -3.828 1.00 65.14 C ATOM 1622 OG1 THR A 101 -5.166 -4.217 -3.558 1.00 33.41 O ATOM 1623 CG2 THR A 101 -4.117 -2.700 -5.101 1.00 51.42 C ATOM 0 H THR A 101 -3.123 -0.597 -3.474 1.00 10.21 H new ATOM 0 HA THR A 101 -4.819 -2.264 -1.749 1.00 62.12 H new ATOM 0 HB THR A 101 -5.909 -2.339 -3.965 1.00 65.14 H new ATOM 0 HG1 THR A 101 -5.197 -4.359 -2.589 1.00 33.41 H new ATOM 0 HG21 THR A 101 -4.647 -3.158 -5.936 1.00 51.42 H new ATOM 0 HG22 THR A 101 -3.951 -1.644 -5.313 1.00 51.42 H new ATOM 0 HG23 THR A 101 -3.157 -3.198 -4.964 1.00 51.42 H new ATOM 1631 N ARG A 102 -2.891 -3.753 -1.346 1.00 74.42 N ATOM 1632 CA ARG A 102 -1.719 -4.553 -0.992 1.00 0.04 C ATOM 1633 C ARG A 102 -2.123 -6.017 -0.958 1.00 11.11 C ATOM 1634 O ARG A 102 -3.161 -6.349 -0.389 1.00 62.44 O ATOM 1635 CB ARG A 102 -1.189 -4.143 0.385 1.00 52.14 C ATOM 1636 CG ARG A 102 0.192 -4.773 0.611 1.00 21.50 C ATOM 1637 CD ARG A 102 0.498 -4.849 2.113 1.00 61.15 C ATOM 1638 NE ARG A 102 -0.075 -6.068 2.684 1.00 50.41 N ATOM 1639 CZ ARG A 102 -1.237 -6.062 3.338 1.00 63.32 C ATOM 1640 NH1 ARG A 102 -1.905 -4.952 3.491 1.00 34.10 N ATOM 1641 NH2 ARG A 102 -1.712 -7.175 3.828 1.00 0.53 N ATOM 0 H ARG A 102 -3.685 -3.874 -0.717 1.00 74.42 H new ATOM 0 HA ARG A 102 -0.934 -4.391 -1.731 1.00 0.04 H new ATOM 0 HB2 ARG A 102 -1.120 -3.057 0.451 1.00 52.14 H new ATOM 0 HB3 ARG A 102 -1.880 -4.467 1.163 1.00 52.14 H new ATOM 0 HG2 ARG A 102 0.220 -5.772 0.175 1.00 21.50 H new ATOM 0 HG3 ARG A 102 0.957 -4.183 0.106 1.00 21.50 H new ATOM 0 HD2 ARG A 102 1.576 -4.836 2.273 1.00 61.15 H new ATOM 0 HD3 ARG A 102 0.090 -3.975 2.620 1.00 61.15 H new ATOM 0 HE ARG A 102 0.429 -6.948 2.579 1.00 50.41 H new ATOM 0 HH11 ARG A 102 -1.539 -4.080 3.109 1.00 34.10 H new ATOM 0 HH12 ARG A 102 -2.793 -4.956 3.993 1.00 34.10 H new ATOM 0 HH21 ARG A 102 -1.194 -8.046 3.710 1.00 0.53 H new ATOM 0 HH22 ARG A 102 -2.601 -7.174 4.329 1.00 0.53 H new ATOM 1655 N VAL A 103 -1.341 -6.904 -1.580 1.00 33.24 N ATOM 1656 CA VAL A 103 -1.708 -8.321 -1.600 1.00 34.25 C ATOM 1657 C VAL A 103 -0.603 -9.200 -1.033 1.00 1.42 C ATOM 1658 O VAL A 103 0.536 -9.174 -1.502 1.00 43.00 O ATOM 1659 CB VAL A 103 -2.013 -8.749 -3.039 1.00 11.35 C ATOM 1660 CG1 VAL A 103 -0.773 -8.542 -3.915 1.00 12.02 C ATOM 1661 CG2 VAL A 103 -2.412 -10.228 -3.060 1.00 20.31 C ATOM 0 H VAL A 103 -0.473 -6.675 -2.064 1.00 33.24 H new ATOM 0 HA VAL A 103 -2.590 -8.447 -0.973 1.00 34.25 H new ATOM 0 HB VAL A 103 -2.833 -8.145 -3.427 1.00 11.35 H new ATOM 0 HG11 VAL A 103 -0.995 -8.848 -4.937 1.00 12.02 H new ATOM 0 HG12 VAL A 103 -0.491 -7.489 -3.904 1.00 12.02 H new ATOM 0 HG13 VAL A 103 0.051 -9.142 -3.527 1.00 12.02 H new ATOM 0 HG21 VAL A 103 -2.629 -10.532 -4.084 1.00 20.31 H new ATOM 0 HG22 VAL A 103 -1.593 -10.831 -2.668 1.00 20.31 H new ATOM 0 HG23 VAL A 103 -3.298 -10.375 -2.443 1.00 20.31 H new ATOM 1671 N LYS A 104 -0.960 -9.993 -0.026 1.00 63.44 N ATOM 1672 CA LYS A 104 -0.025 -10.908 0.613 1.00 12.14 C ATOM 1673 C LYS A 104 -0.353 -12.328 0.174 1.00 23.50 C ATOM 1674 O LYS A 104 -1.373 -12.561 -0.473 1.00 0.51 O ATOM 1675 CB LYS A 104 -0.124 -10.797 2.140 1.00 34.44 C ATOM 1676 CG LYS A 104 0.692 -9.597 2.634 1.00 31.22 C ATOM 1677 CD LYS A 104 0.718 -9.593 4.164 1.00 15.11 C ATOM 1678 CE LYS A 104 1.772 -8.598 4.656 1.00 64.23 C ATOM 1679 NZ LYS A 104 1.736 -7.374 3.806 1.00 24.35 N ATOM 0 H LYS A 104 -1.901 -10.018 0.367 1.00 63.44 H new ATOM 0 HA LYS A 104 0.992 -10.652 0.317 1.00 12.14 H new ATOM 0 HB2 LYS A 104 -1.167 -10.685 2.438 1.00 34.44 H new ATOM 0 HB3 LYS A 104 0.243 -11.712 2.604 1.00 34.44 H new ATOM 0 HG2 LYS A 104 1.708 -9.649 2.243 1.00 31.22 H new ATOM 0 HG3 LYS A 104 0.255 -8.669 2.265 1.00 31.22 H new ATOM 0 HD2 LYS A 104 -0.263 -9.322 4.554 1.00 15.11 H new ATOM 0 HD3 LYS A 104 0.944 -10.592 4.537 1.00 15.11 H new ATOM 0 HE2 LYS A 104 1.582 -8.336 5.697 1.00 64.23 H new ATOM 0 HE3 LYS A 104 2.762 -9.052 4.617 1.00 64.23 H new ATOM 0 HZ1 LYS A 104 2.496 -6.727 4.097 1.00 24.35 H new ATOM 0 HZ2 LYS A 104 1.869 -7.639 2.809 1.00 24.35 H new ATOM 0 HZ3 LYS A 104 0.817 -6.900 3.918 1.00 24.35 H new ATOM 1693 N ASP A 105 0.513 -13.271 0.508 1.00 70.32 N ATOM 1694 CA ASP A 105 0.283 -14.651 0.113 1.00 14.22 C ATOM 1695 C ASP A 105 -1.067 -15.142 0.630 1.00 14.23 C ATOM 1696 O ASP A 105 -1.265 -15.310 1.834 1.00 31.32 O ATOM 1697 CB ASP A 105 1.398 -15.543 0.662 1.00 60.24 C ATOM 1698 CG ASP A 105 1.244 -16.961 0.123 1.00 75.41 C ATOM 1699 OD1 ASP A 105 0.456 -17.144 -0.789 1.00 4.44 O ATOM 1700 OD2 ASP A 105 1.917 -17.843 0.632 1.00 33.33 O ATOM 0 H ASP A 105 1.367 -13.111 1.042 1.00 70.32 H new ATOM 0 HA ASP A 105 0.280 -14.701 -0.976 1.00 14.22 H new ATOM 0 HB2 ASP A 105 2.370 -15.141 0.378 1.00 60.24 H new ATOM 0 HB3 ASP A 105 1.364 -15.553 1.751 1.00 60.24 H new ATOM 1705 N GLY A 106 -1.978 -15.397 -0.305 1.00 13.15 N ATOM 1706 CA GLY A 106 -3.306 -15.905 0.031 1.00 73.44 C ATOM 1707 C GLY A 106 -4.241 -14.817 0.557 1.00 33.33 C ATOM 1708 O GLY A 106 -5.421 -15.078 0.789 1.00 50.05 O ATOM 0 H GLY A 106 -1.821 -15.260 -1.303 1.00 13.15 H new ATOM 0 HA2 GLY A 106 -3.749 -16.362 -0.854 1.00 73.44 H new ATOM 0 HA3 GLY A 106 -3.211 -16.690 0.782 1.00 73.44 H new ATOM 1712 N ARG A 107 -3.721 -13.606 0.763 1.00 61.34 N ATOM 1713 CA ARG A 107 -4.548 -12.509 1.285 1.00 32.10 C ATOM 1714 C ARG A 107 -4.482 -11.271 0.390 1.00 31.24 C ATOM 1715 O ARG A 107 -3.406 -10.846 -0.029 1.00 53.22 O ATOM 1716 CB ARG A 107 -4.081 -12.141 2.694 1.00 43.32 C ATOM 1717 CG ARG A 107 -4.496 -13.241 3.674 1.00 74.41 C ATOM 1718 CD ARG A 107 -3.955 -12.916 5.067 1.00 21.00 C ATOM 1719 NE ARG A 107 -4.502 -11.648 5.537 1.00 72.23 N ATOM 1720 CZ ARG A 107 -4.356 -11.263 6.801 1.00 10.22 C ATOM 1721 NH1 ARG A 107 -3.715 -12.025 7.645 1.00 3.11 N ATOM 1722 NH2 ARG A 107 -4.852 -10.124 7.198 1.00 13.14 N ATOM 0 H ARG A 107 -2.748 -13.359 0.581 1.00 61.34 H new ATOM 0 HA ARG A 107 -5.582 -12.854 1.307 1.00 32.10 H new ATOM 0 HB2 ARG A 107 -2.998 -12.016 2.709 1.00 43.32 H new ATOM 0 HB3 ARG A 107 -4.516 -11.188 2.995 1.00 43.32 H new ATOM 0 HG2 ARG A 107 -5.582 -13.324 3.705 1.00 74.41 H new ATOM 0 HG3 ARG A 107 -4.112 -14.205 3.339 1.00 74.41 H new ATOM 0 HD2 ARG A 107 -4.217 -13.714 5.762 1.00 21.00 H new ATOM 0 HD3 ARG A 107 -2.867 -12.863 5.039 1.00 21.00 H new ATOM 0 HE ARG A 107 -5.005 -11.047 4.885 1.00 72.23 H new ATOM 0 HH11 ARG A 107 -3.326 -12.915 7.335 1.00 3.11 H new ATOM 0 HH12 ARG A 107 -3.603 -11.730 8.615 1.00 3.11 H new ATOM 0 HH21 ARG A 107 -5.352 -9.528 6.539 1.00 13.14 H new ATOM 0 HH22 ARG A 107 -4.740 -9.829 8.168 1.00 13.14 H new ATOM 1736 N THR A 108 -5.655 -10.695 0.117 1.00 44.21 N ATOM 1737 CA THR A 108 -5.759 -9.493 -0.713 1.00 51.51 C ATOM 1738 C THR A 108 -6.323 -8.338 0.112 1.00 31.44 C ATOM 1739 O THR A 108 -7.003 -8.561 1.113 1.00 64.10 O ATOM 1740 CB THR A 108 -6.674 -9.762 -1.911 1.00 3.05 C ATOM 1741 OG1 THR A 108 -6.191 -10.887 -2.629 1.00 63.31 O ATOM 1742 CG2 THR A 108 -6.694 -8.538 -2.826 1.00 74.04 C ATOM 0 H THR A 108 -6.550 -11.044 0.461 1.00 44.21 H new ATOM 0 HA THR A 108 -4.765 -9.226 -1.073 1.00 51.51 H new ATOM 0 HB THR A 108 -7.686 -9.963 -1.559 1.00 3.05 H new ATOM 0 HG1 THR A 108 -6.776 -11.062 -3.395 1.00 63.31 H new ATOM 0 HG21 THR A 108 -7.346 -8.731 -3.678 1.00 74.04 H new ATOM 0 HG22 THR A 108 -7.066 -7.676 -2.272 1.00 74.04 H new ATOM 0 HG23 THR A 108 -5.684 -8.333 -3.181 1.00 74.04 H new ATOM 1750 N LEU A 109 -6.031 -7.105 -0.299 1.00 32.24 N ATOM 1751 CA LEU A 109 -6.516 -5.937 0.438 1.00 43.31 C ATOM 1752 C LEU A 109 -6.731 -4.747 -0.470 1.00 74.01 C ATOM 1753 O LEU A 109 -6.015 -4.555 -1.449 1.00 63.20 O ATOM 1754 CB LEU A 109 -5.501 -5.542 1.505 1.00 62.54 C ATOM 1755 CG LEU A 109 -6.020 -4.375 2.354 1.00 51.30 C ATOM 1756 CD1 LEU A 109 -7.300 -4.785 3.098 1.00 75.30 C ATOM 1757 CD2 LEU A 109 -4.939 -3.995 3.366 1.00 33.50 C ATOM 0 H LEU A 109 -5.471 -6.889 -1.124 1.00 32.24 H new ATOM 0 HA LEU A 109 -7.469 -6.214 0.889 1.00 43.31 H new ATOM 0 HB2 LEU A 109 -5.291 -6.398 2.147 1.00 62.54 H new ATOM 0 HB3 LEU A 109 -4.561 -5.261 1.031 1.00 62.54 H new ATOM 0 HG LEU A 109 -6.251 -3.527 1.709 1.00 51.30 H new ATOM 0 HD11 LEU A 109 -7.657 -3.947 3.697 1.00 75.30 H new ATOM 0 HD12 LEU A 109 -8.066 -5.068 2.376 1.00 75.30 H new ATOM 0 HD13 LEU A 109 -7.086 -5.632 3.750 1.00 75.30 H new ATOM 0 HD21 LEU A 109 -5.290 -3.166 3.980 1.00 33.50 H new ATOM 0 HD22 LEU A 109 -4.721 -4.851 4.004 1.00 33.50 H new ATOM 0 HD23 LEU A 109 -4.034 -3.697 2.837 1.00 33.50 H new ATOM 1769 N HIS A 110 -7.703 -3.924 -0.102 1.00 5.55 N ATOM 1770 CA HIS A 110 -7.993 -2.719 -0.855 1.00 51.43 C ATOM 1771 C HIS A 110 -8.323 -1.573 0.096 1.00 72.13 C ATOM 1772 O HIS A 110 -8.935 -1.787 1.142 1.00 42.32 O ATOM 1773 CB HIS A 110 -9.159 -2.957 -1.817 1.00 64.03 C ATOM 1774 CG HIS A 110 -10.321 -3.542 -1.062 1.00 42.45 C ATOM 1775 ND1 HIS A 110 -10.478 -4.734 -0.400 1.00 33.35 N flip ATOM 1776 CD2 HIS A 110 -11.525 -2.869 -0.923 1.00 54.02 C flip ATOM 1777 CE1 HIS A 110 -11.758 -4.803 0.142 1.00 31.11 C flip ATOM 1778 NE2 HIS A 110 -12.347 -3.655 -0.202 1.00 22.10 N flip ATOM 0 H HIS A 110 -8.301 -4.071 0.711 1.00 5.55 H new ATOM 0 HA HIS A 110 -7.111 -2.453 -1.437 1.00 51.43 H new ATOM 0 HB2 HIS A 110 -9.453 -2.019 -2.288 1.00 64.03 H new ATOM 0 HB3 HIS A 110 -8.853 -3.633 -2.616 1.00 64.03 H new ATOM 0 HD1 HIS A 110 -9.765 -5.459 -0.318 1.00 33.35 H new ATOM 0 HD2 HIS A 110 -11.761 -1.893 -1.320 1.00 54.02 H new ATOM 0 HE1 HIS A 110 -12.184 -5.612 0.717 1.00 31.11 H new ATOM 1786 N MET A 111 -7.925 -0.354 -0.267 1.00 32.11 N ATOM 1787 CA MET A 111 -8.200 0.809 0.573 1.00 23.14 C ATOM 1788 C MET A 111 -8.159 2.092 -0.263 1.00 31.31 C ATOM 1789 O MET A 111 -7.329 2.229 -1.163 1.00 64.53 O ATOM 1790 CB MET A 111 -7.175 0.888 1.717 1.00 62.50 C ATOM 1791 CG MET A 111 -5.844 0.274 1.271 1.00 65.01 C ATOM 1792 SD MET A 111 -4.637 0.412 2.612 1.00 35.14 S ATOM 1793 CE MET A 111 -4.014 2.058 2.192 1.00 3.04 C ATOM 0 H MET A 111 -7.417 -0.148 -1.127 1.00 32.11 H new ATOM 0 HA MET A 111 -9.198 0.704 1.000 1.00 23.14 H new ATOM 0 HB2 MET A 111 -7.025 1.927 2.011 1.00 62.50 H new ATOM 0 HB3 MET A 111 -7.553 0.360 2.592 1.00 62.50 H new ATOM 0 HG2 MET A 111 -5.986 -0.773 1.002 1.00 65.01 H new ATOM 0 HG3 MET A 111 -5.475 0.785 0.382 1.00 65.01 H new ATOM 0 HE1 MET A 111 -3.070 2.233 2.709 1.00 3.04 H new ATOM 0 HE2 MET A 111 -3.855 2.123 1.116 1.00 3.04 H new ATOM 0 HE3 MET A 111 -4.740 2.811 2.498 1.00 3.04 H new ATOM 1803 N MET A 112 -9.046 3.036 0.049 1.00 43.15 N ATOM 1804 CA MET A 112 -9.090 4.315 -0.670 1.00 44.31 C ATOM 1805 C MET A 112 -8.465 5.410 0.189 1.00 65.34 C ATOM 1806 O MET A 112 -8.580 5.383 1.414 1.00 35.42 O ATOM 1807 CB MET A 112 -10.541 4.682 -1.003 1.00 33.34 C ATOM 1808 CG MET A 112 -10.568 5.894 -1.938 1.00 72.23 C ATOM 1809 SD MET A 112 -10.024 5.389 -3.589 1.00 71.13 S ATOM 1810 CE MET A 112 -11.630 4.824 -4.205 1.00 71.15 C ATOM 0 H MET A 112 -9.741 2.943 0.790 1.00 43.15 H new ATOM 0 HA MET A 112 -8.527 4.220 -1.598 1.00 44.31 H new ATOM 0 HB2 MET A 112 -11.041 3.836 -1.475 1.00 33.34 H new ATOM 0 HB3 MET A 112 -11.089 4.905 -0.087 1.00 33.34 H new ATOM 0 HG2 MET A 112 -11.575 6.309 -1.985 1.00 72.23 H new ATOM 0 HG3 MET A 112 -9.918 6.679 -1.553 1.00 72.23 H new ATOM 0 HE1 MET A 112 -11.498 3.905 -4.775 1.00 71.15 H new ATOM 0 HE2 MET A 112 -12.297 4.637 -3.364 1.00 71.15 H new ATOM 0 HE3 MET A 112 -12.063 5.590 -4.848 1.00 71.15 H new ATOM 1820 N ARG A 113 -7.791 6.369 -0.452 1.00 72.31 N ATOM 1821 CA ARG A 113 -7.145 7.458 0.285 1.00 74.31 C ATOM 1822 C ARG A 113 -7.494 8.823 -0.297 1.00 45.20 C ATOM 1823 O ARG A 113 -7.415 9.033 -1.507 1.00 50.24 O ATOM 1824 CB ARG A 113 -5.628 7.266 0.261 1.00 21.21 C ATOM 1825 CG ARG A 113 -5.246 6.086 1.156 1.00 30.34 C ATOM 1826 CD ARG A 113 -3.723 5.959 1.209 1.00 72.50 C ATOM 1827 NE ARG A 113 -3.331 4.989 2.225 1.00 40.45 N ATOM 1828 CZ ARG A 113 -3.340 5.305 3.516 1.00 21.02 C ATOM 1829 NH1 ARG A 113 -3.709 6.499 3.891 1.00 14.40 N ATOM 1830 NH2 ARG A 113 -2.981 4.422 4.406 1.00 74.45 N ATOM 0 H ARG A 113 -7.679 6.414 -1.465 1.00 72.31 H new ATOM 0 HA ARG A 113 -7.512 7.428 1.311 1.00 74.31 H new ATOM 0 HB2 ARG A 113 -5.290 7.086 -0.760 1.00 21.21 H new ATOM 0 HB3 ARG A 113 -5.131 8.173 0.606 1.00 21.21 H new ATOM 0 HG2 ARG A 113 -5.645 6.233 2.160 1.00 30.34 H new ATOM 0 HG3 ARG A 113 -5.685 5.166 0.770 1.00 30.34 H new ATOM 0 HD2 ARG A 113 -3.343 5.650 0.235 1.00 72.50 H new ATOM 0 HD3 ARG A 113 -3.278 6.929 1.431 1.00 72.50 H new ATOM 0 HE ARG A 113 -3.045 4.052 1.940 1.00 40.45 H new ATOM 0 HH11 ARG A 113 -3.990 7.188 3.194 1.00 14.40 H new ATOM 0 HH12 ARG A 113 -3.716 6.743 4.881 1.00 14.40 H new ATOM 0 HH21 ARG A 113 -2.693 3.489 4.111 1.00 74.45 H new ATOM 0 HH22 ARG A 113 -2.988 4.665 5.397 1.00 74.45 H new ATOM 1844 N LEU A 114 -7.878 9.754 0.583 1.00 61.04 N ATOM 1845 CA LEU A 114 -8.234 11.109 0.166 1.00 14.24 C ATOM 1846 C LEU A 114 -7.135 12.090 0.581 1.00 31.42 C ATOM 1847 O LEU A 114 -6.741 12.155 1.768 1.00 44.40 O ATOM 1848 CB LEU A 114 -9.599 11.499 0.787 1.00 14.30 C ATOM 1849 CG LEU A 114 -9.685 13.009 1.105 1.00 15.14 C ATOM 1850 CD1 LEU A 114 -9.601 13.828 -0.192 1.00 31.15 C ATOM 1851 CD2 LEU A 114 -11.017 13.315 1.813 1.00 4.03 C ATOM 0 H LEU A 114 -7.949 9.591 1.587 1.00 61.04 H new ATOM 0 HA LEU A 114 -8.326 11.148 -0.919 1.00 14.24 H new ATOM 0 HB2 LEU A 114 -10.400 11.228 0.099 1.00 14.30 H new ATOM 0 HB3 LEU A 114 -9.757 10.927 1.701 1.00 14.30 H new ATOM 0 HG LEU A 114 -8.853 13.279 1.755 1.00 15.14 H new ATOM 0 HD11 LEU A 114 -9.663 14.890 0.044 1.00 31.15 H new ATOM 0 HD12 LEU A 114 -8.655 13.622 -0.692 1.00 31.15 H new ATOM 0 HD13 LEU A 114 -10.426 13.554 -0.849 1.00 31.15 H new ATOM 0 HD21 LEU A 114 -11.074 14.380 2.036 1.00 4.03 H new ATOM 0 HD22 LEU A 114 -11.847 13.035 1.164 1.00 4.03 H new ATOM 0 HD23 LEU A 114 -11.075 12.747 2.741 1.00 4.03 H new ATOM 1863 N TYR A 115 -6.642 12.823 -0.426 1.00 63.52 N ATOM 1864 CA TYR A 115 -5.573 13.801 -0.251 1.00 21.22 C ATOM 1865 C TYR A 115 -6.110 15.231 -0.274 1.00 10.04 C ATOM 1866 O TYR A 115 -7.189 15.498 -0.802 1.00 23.43 O ATOM 1867 CB TYR A 115 -4.559 13.679 -1.396 1.00 1.41 C ATOM 1868 CG TYR A 115 -3.767 12.396 -1.287 1.00 3.33 C ATOM 1869 CD1 TYR A 115 -4.417 11.158 -1.355 1.00 32.21 C ATOM 1870 CD2 TYR A 115 -2.376 12.447 -1.125 1.00 4.12 C ATOM 1871 CE1 TYR A 115 -3.678 9.977 -1.255 1.00 64.53 C ATOM 1872 CE2 TYR A 115 -1.640 11.264 -1.029 1.00 25.53 C ATOM 1873 CZ TYR A 115 -2.290 10.030 -1.093 1.00 51.04 C ATOM 1874 OH TYR A 115 -1.569 8.866 -0.975 1.00 14.15 O ATOM 0 H TYR A 115 -6.978 12.750 -1.386 1.00 63.52 H new ATOM 0 HA TYR A 115 -5.110 13.597 0.714 1.00 21.22 H new ATOM 0 HB2 TYR A 115 -5.081 13.708 -2.353 1.00 1.41 H new ATOM 0 HB3 TYR A 115 -3.880 14.532 -1.377 1.00 1.41 H new ATOM 0 HD1 TYR A 115 -5.488 11.116 -1.485 1.00 32.21 H new ATOM 0 HD2 TYR A 115 -1.873 13.401 -1.074 1.00 4.12 H new ATOM 0 HE1 TYR A 115 -4.179 9.022 -1.303 1.00 64.53 H new ATOM 0 HE2 TYR A 115 -0.568 11.304 -0.905 1.00 25.53 H new ATOM 0 HH TYR A 115 -2.016 8.267 -0.341 1.00 14.15 H new ATOM 1884 N SER A 116 -5.307 16.146 0.270 1.00 74.05 N ATOM 1885 CA SER A 116 -5.638 17.571 0.295 1.00 63.32 C ATOM 1886 C SER A 116 -4.445 18.360 -0.228 1.00 70.03 C ATOM 1887 O SER A 116 -3.317 18.097 0.173 1.00 51.32 O ATOM 1888 CB SER A 116 -5.932 18.022 1.726 1.00 52.55 C ATOM 1889 OG SER A 116 -6.465 19.338 1.699 1.00 71.21 O ATOM 0 H SER A 116 -4.412 15.921 0.704 1.00 74.05 H new ATOM 0 HA SER A 116 -6.518 17.744 -0.325 1.00 63.32 H new ATOM 0 HB2 SER A 116 -6.639 17.340 2.197 1.00 52.55 H new ATOM 0 HB3 SER A 116 -5.020 17.998 2.323 1.00 52.55 H new ATOM 0 HG SER A 116 -6.179 19.823 2.501 1.00 71.21 H new ATOM 1895 N ARG A 117 -4.665 19.324 -1.113 1.00 11.35 N ATOM 1896 CA ARG A 117 -3.545 20.099 -1.632 1.00 33.24 C ATOM 1897 C ARG A 117 -3.024 21.050 -0.561 1.00 50.25 C ATOM 1898 O ARG A 117 -1.889 21.521 -0.630 1.00 21.22 O ATOM 1899 CB ARG A 117 -3.990 20.900 -2.859 1.00 50.51 C ATOM 1900 CG ARG A 117 -2.762 21.433 -3.612 1.00 33.11 C ATOM 1901 CD ARG A 117 -1.973 20.276 -4.246 1.00 64.31 C ATOM 1902 NE ARG A 117 -0.901 19.848 -3.354 1.00 40.24 N ATOM 1903 CZ ARG A 117 0.201 20.575 -3.205 1.00 21.21 C ATOM 1904 NH1 ARG A 117 0.338 21.696 -3.860 1.00 55.52 N ATOM 1905 NH2 ARG A 117 1.146 20.170 -2.401 1.00 15.21 N ATOM 0 H ARG A 117 -5.581 19.583 -1.478 1.00 11.35 H new ATOM 0 HA ARG A 117 -2.747 19.414 -1.919 1.00 33.24 H new ATOM 0 HB2 ARG A 117 -4.586 20.269 -3.519 1.00 50.51 H new ATOM 0 HB3 ARG A 117 -4.626 21.730 -2.551 1.00 50.51 H new ATOM 0 HG2 ARG A 117 -3.078 22.132 -4.386 1.00 33.11 H new ATOM 0 HG3 ARG A 117 -2.120 21.986 -2.926 1.00 33.11 H new ATOM 0 HD2 ARG A 117 -2.641 19.440 -4.450 1.00 64.31 H new ATOM 0 HD3 ARG A 117 -1.556 20.592 -5.202 1.00 64.31 H new ATOM 0 HE ARG A 117 -0.999 18.975 -2.836 1.00 40.24 H new ATOM 0 HH11 ARG A 117 -0.401 22.014 -4.487 1.00 55.52 H new ATOM 0 HH12 ARG A 117 1.184 22.254 -3.745 1.00 55.52 H new ATOM 0 HH21 ARG A 117 1.038 19.295 -1.887 1.00 15.21 H new ATOM 0 HH22 ARG A 117 1.992 20.728 -2.287 1.00 15.21 H new ATOM 1919 N SER A 118 -3.866 21.326 0.432 1.00 74.34 N ATOM 1920 CA SER A 118 -3.494 22.223 1.524 1.00 64.21 C ATOM 1921 C SER A 118 -3.906 21.616 2.869 1.00 53.13 C ATOM 1922 O SER A 118 -4.945 20.965 2.964 1.00 61.44 O ATOM 1923 CB SER A 118 -4.191 23.571 1.338 1.00 43.25 C ATOM 1924 OG SER A 118 -3.889 24.417 2.440 1.00 11.11 O ATOM 0 H SER A 118 -4.808 20.943 0.503 1.00 74.34 H new ATOM 0 HA SER A 118 -2.413 22.365 1.514 1.00 64.21 H new ATOM 0 HB2 SER A 118 -3.864 24.036 0.408 1.00 43.25 H new ATOM 0 HB3 SER A 118 -5.269 23.428 1.261 1.00 43.25 H new ATOM 0 HG SER A 118 -4.334 25.282 2.320 1.00 11.11 H new ATOM 1930 N PRO A 119 -3.121 21.814 3.905 1.00 0.43 N ATOM 1931 CA PRO A 119 -3.428 21.274 5.260 1.00 21.24 C ATOM 1932 C PRO A 119 -4.921 21.317 5.585 1.00 71.42 C ATOM 1933 O PRO A 119 -5.399 20.577 6.446 1.00 43.03 O ATOM 1934 CB PRO A 119 -2.637 22.200 6.186 1.00 31.21 C ATOM 1935 CG PRO A 119 -1.448 22.634 5.385 1.00 2.13 C ATOM 1936 CD PRO A 119 -1.853 22.567 3.905 1.00 63.14 C ATOM 0 HA PRO A 119 -3.160 20.222 5.356 1.00 21.24 H new ATOM 0 HB2 PRO A 119 -3.238 23.056 6.494 1.00 31.21 H new ATOM 0 HB3 PRO A 119 -2.332 21.681 7.095 1.00 31.21 H new ATOM 0 HG2 PRO A 119 -1.149 23.646 5.657 1.00 2.13 H new ATOM 0 HG3 PRO A 119 -0.594 21.986 5.581 1.00 2.13 H new ATOM 0 HD2 PRO A 119 -1.983 23.564 3.483 1.00 63.14 H new ATOM 0 HD3 PRO A 119 -1.092 22.064 3.307 1.00 63.14 H new ATOM 1944 N GLU A 120 -5.652 22.186 4.894 1.00 72.12 N ATOM 1945 CA GLU A 120 -7.079 22.318 5.116 1.00 62.41 C ATOM 1946 C GLU A 120 -7.833 21.202 4.414 1.00 62.33 C ATOM 1947 O GLU A 120 -7.300 20.531 3.531 1.00 4.55 O ATOM 1948 CB GLU A 120 -7.565 23.667 4.587 1.00 62.22 C ATOM 1949 CG GLU A 120 -6.692 24.786 5.158 1.00 22.25 C ATOM 1950 CD GLU A 120 -7.226 26.143 4.712 1.00 21.55 C ATOM 1951 OE1 GLU A 120 -8.100 26.163 3.861 1.00 20.31 O ATOM 1952 OE2 GLU A 120 -6.753 27.143 5.228 1.00 33.55 O ATOM 0 H GLU A 120 -5.276 22.807 4.177 1.00 72.12 H new ATOM 0 HA GLU A 120 -7.268 22.255 6.188 1.00 62.41 H new ATOM 0 HB2 GLU A 120 -7.523 23.679 3.498 1.00 62.22 H new ATOM 0 HB3 GLU A 120 -8.606 23.825 4.867 1.00 62.22 H new ATOM 0 HG2 GLU A 120 -6.681 24.730 6.247 1.00 22.25 H new ATOM 0 HG3 GLU A 120 -5.662 24.663 4.822 1.00 22.25 H new ATOM 1959 N VAL A 121 -9.080 21.018 4.816 1.00 43.13 N ATOM 1960 CA VAL A 121 -9.937 19.985 4.232 1.00 34.10 C ATOM 1961 C VAL A 121 -11.147 20.620 3.552 1.00 41.10 C ATOM 1962 O VAL A 121 -11.975 21.253 4.206 1.00 4.10 O ATOM 1963 CB VAL A 121 -10.412 19.026 5.325 1.00 43.22 C ATOM 1964 CG1 VAL A 121 -11.153 17.850 4.687 1.00 1.10 C ATOM 1965 CG2 VAL A 121 -9.202 18.503 6.102 1.00 13.23 C ATOM 0 H VAL A 121 -9.528 21.570 5.547 1.00 43.13 H new ATOM 0 HA VAL A 121 -9.361 19.434 3.489 1.00 34.10 H new ATOM 0 HB VAL A 121 -11.083 19.552 6.004 1.00 43.22 H new ATOM 0 HG11 VAL A 121 -11.491 17.167 5.466 1.00 1.10 H new ATOM 0 HG12 VAL A 121 -12.014 18.221 4.131 1.00 1.10 H new ATOM 0 HG13 VAL A 121 -10.483 17.323 4.008 1.00 1.10 H new ATOM 0 HG21 VAL A 121 -9.538 17.819 6.882 1.00 13.23 H new ATOM 0 HG22 VAL A 121 -8.532 17.977 5.422 1.00 13.23 H new ATOM 0 HG23 VAL A 121 -8.672 19.340 6.557 1.00 13.23 H new ATOM 1975 N SER A 122 -11.242 20.448 2.237 1.00 61.21 N ATOM 1976 CA SER A 122 -12.356 21.012 1.481 1.00 2.45 C ATOM 1977 C SER A 122 -13.604 20.128 1.621 1.00 21.04 C ATOM 1978 O SER A 122 -13.582 18.967 1.212 1.00 4.24 O ATOM 1979 CB SER A 122 -11.975 21.114 0.004 1.00 24.24 C ATOM 1980 OG SER A 122 -12.881 21.988 -0.656 1.00 22.40 O ATOM 0 H SER A 122 -10.568 19.927 1.676 1.00 61.21 H new ATOM 0 HA SER A 122 -12.577 22.003 1.876 1.00 2.45 H new ATOM 0 HB2 SER A 122 -10.955 21.486 -0.095 1.00 24.24 H new ATOM 0 HB3 SER A 122 -12.001 20.128 -0.459 1.00 24.24 H new ATOM 0 HG SER A 122 -12.638 22.057 -1.603 1.00 22.40 H new ATOM 1986 N PRO A 123 -14.684 20.633 2.181 1.00 40.21 N ATOM 1987 CA PRO A 123 -15.935 19.835 2.350 1.00 41.25 C ATOM 1988 C PRO A 123 -16.266 19.010 1.106 1.00 75.13 C ATOM 1989 O PRO A 123 -16.859 17.935 1.204 1.00 61.11 O ATOM 1990 CB PRO A 123 -17.002 20.900 2.607 1.00 40.21 C ATOM 1991 CG PRO A 123 -16.272 22.020 3.273 1.00 12.51 C ATOM 1992 CD PRO A 123 -14.845 22.002 2.715 1.00 22.11 C ATOM 0 HA PRO A 123 -15.854 19.103 3.154 1.00 41.25 H new ATOM 0 HB2 PRO A 123 -17.465 21.228 1.677 1.00 40.21 H new ATOM 0 HB3 PRO A 123 -17.800 20.515 3.242 1.00 40.21 H new ATOM 0 HG2 PRO A 123 -16.756 22.975 3.068 1.00 12.51 H new ATOM 0 HG3 PRO A 123 -16.267 21.891 4.355 1.00 12.51 H new ATOM 0 HD2 PRO A 123 -14.712 22.752 1.935 1.00 22.11 H new ATOM 0 HD3 PRO A 123 -14.111 22.216 3.492 1.00 22.11 H new ATOM 2000 N ALA A 124 -15.878 19.518 -0.059 1.00 21.10 N ATOM 2001 CA ALA A 124 -16.138 18.816 -1.310 1.00 43.15 C ATOM 2002 C ALA A 124 -15.227 17.599 -1.435 1.00 72.30 C ATOM 2003 O ALA A 124 -15.646 16.541 -1.907 1.00 20.22 O ATOM 2004 CB ALA A 124 -15.903 19.755 -2.495 1.00 32.13 C ATOM 0 H ALA A 124 -15.386 20.406 -0.163 1.00 21.10 H new ATOM 0 HA ALA A 124 -17.176 18.484 -1.312 1.00 43.15 H new ATOM 0 HB1 ALA A 124 -16.099 19.223 -3.426 1.00 32.13 H new ATOM 0 HB2 ALA A 124 -16.573 20.612 -2.419 1.00 32.13 H new ATOM 0 HB3 ALA A 124 -14.869 20.101 -2.486 1.00 32.13 H new ATOM 2010 N ALA A 125 -13.980 17.758 -1.008 1.00 64.13 N ATOM 2011 CA ALA A 125 -13.011 16.671 -1.070 1.00 1.50 C ATOM 2012 C ALA A 125 -13.478 15.486 -0.235 1.00 25.33 C ATOM 2013 O ALA A 125 -13.238 14.334 -0.584 1.00 32.23 O ATOM 2014 CB ALA A 125 -11.661 17.155 -0.543 1.00 75.12 C ATOM 0 H ALA A 125 -13.617 18.627 -0.616 1.00 64.13 H new ATOM 0 HA ALA A 125 -12.913 16.355 -2.109 1.00 1.50 H new ATOM 0 HB1 ALA A 125 -10.939 16.340 -0.591 1.00 75.12 H new ATOM 0 HB2 ALA A 125 -11.310 17.988 -1.153 1.00 75.12 H new ATOM 0 HB3 ALA A 125 -11.770 17.483 0.491 1.00 75.12 H new ATOM 2020 N THR A 126 -14.156 15.787 0.861 1.00 20.14 N ATOM 2021 CA THR A 126 -14.674 14.751 1.746 1.00 3.30 C ATOM 2022 C THR A 126 -15.871 14.054 1.099 1.00 23.33 C ATOM 2023 O THR A 126 -16.126 12.875 1.338 1.00 43.03 O ATOM 2024 CB THR A 126 -15.086 15.369 3.097 1.00 22.42 C ATOM 2025 OG1 THR A 126 -14.336 16.557 3.311 1.00 2.41 O ATOM 2026 CG2 THR A 126 -14.810 14.383 4.245 1.00 4.03 C ATOM 0 H THR A 126 -14.362 16.740 1.161 1.00 20.14 H new ATOM 0 HA THR A 126 -13.891 14.012 1.920 1.00 3.30 H new ATOM 0 HB THR A 126 -16.152 15.594 3.074 1.00 22.42 H new ATOM 0 HG1 THR A 126 -14.594 16.957 4.168 1.00 2.41 H new ATOM 0 HG21 THR A 126 -15.106 14.835 5.192 1.00 4.03 H new ATOM 0 HG22 THR A 126 -15.381 13.469 4.085 1.00 4.03 H new ATOM 0 HG23 THR A 126 -13.746 14.146 4.273 1.00 4.03 H new ATOM 2034 N ALA A 127 -16.621 14.814 0.309 1.00 75.53 N ATOM 2035 CA ALA A 127 -17.822 14.308 -0.348 1.00 74.44 C ATOM 2036 C ALA A 127 -17.533 13.398 -1.540 1.00 64.32 C ATOM 2037 O ALA A 127 -18.082 12.299 -1.630 1.00 31.01 O ATOM 2038 CB ALA A 127 -18.630 15.489 -0.837 1.00 74.43 C ATOM 0 H ALA A 127 -16.416 15.792 0.106 1.00 75.53 H new ATOM 0 HA ALA A 127 -18.360 13.710 0.388 1.00 74.44 H new ATOM 0 HB1 ALA A 127 -19.533 15.132 -1.332 1.00 74.43 H new ATOM 0 HB2 ALA A 127 -18.905 16.118 0.010 1.00 74.43 H new ATOM 0 HB3 ALA A 127 -18.035 16.070 -1.542 1.00 74.43 H new ATOM 2044 N ILE A 128 -16.664 13.837 -2.446 1.00 41.33 N ATOM 2045 CA ILE A 128 -16.329 13.016 -3.592 1.00 21.54 C ATOM 2046 C ILE A 128 -15.702 11.741 -3.061 1.00 1.11 C ATOM 2047 O ILE A 128 -15.901 10.642 -3.578 1.00 31.32 O ATOM 2048 CB ILE A 128 -15.366 13.795 -4.504 1.00 42.31 C ATOM 2049 CG1 ILE A 128 -15.545 13.349 -5.953 1.00 14.43 C ATOM 2050 CG2 ILE A 128 -13.902 13.584 -4.085 1.00 32.51 C ATOM 2051 CD1 ILE A 128 -15.398 11.828 -6.062 1.00 15.02 C ATOM 0 H ILE A 128 -16.190 14.739 -2.407 1.00 41.33 H new ATOM 0 HA ILE A 128 -17.207 12.764 -4.187 1.00 21.54 H new ATOM 0 HB ILE A 128 -15.603 14.855 -4.409 1.00 42.31 H new ATOM 0 HG12 ILE A 128 -16.527 13.653 -6.316 1.00 14.43 H new ATOM 0 HG13 ILE A 128 -14.805 13.839 -6.586 1.00 14.43 H new ATOM 0 HG21 ILE A 128 -13.248 14.148 -4.750 1.00 32.51 H new ATOM 0 HG22 ILE A 128 -13.763 13.930 -3.061 1.00 32.51 H new ATOM 0 HG23 ILE A 128 -13.655 12.524 -4.147 1.00 32.51 H new ATOM 0 HD11 ILE A 128 -15.528 11.523 -7.100 1.00 15.02 H new ATOM 0 HD12 ILE A 128 -14.407 11.533 -5.719 1.00 15.02 H new ATOM 0 HD13 ILE A 128 -16.155 11.344 -5.445 1.00 15.02 H new ATOM 2063 N PHE A 129 -14.950 11.943 -2.002 1.00 33.53 N ATOM 2064 CA PHE A 129 -14.260 10.872 -1.319 1.00 40.20 C ATOM 2065 C PHE A 129 -15.250 9.846 -0.773 1.00 72.51 C ATOM 2066 O PHE A 129 -15.069 8.641 -0.946 1.00 34.40 O ATOM 2067 CB PHE A 129 -13.460 11.473 -0.174 1.00 21.32 C ATOM 2068 CG PHE A 129 -12.808 10.377 0.645 1.00 62.51 C ATOM 2069 CD1 PHE A 129 -12.109 9.328 0.021 1.00 72.20 C ATOM 2070 CD2 PHE A 129 -12.905 10.410 2.039 1.00 24.04 C ATOM 2071 CE1 PHE A 129 -11.513 8.326 0.794 1.00 64.05 C ATOM 2072 CE2 PHE A 129 -12.308 9.407 2.809 1.00 20.40 C ATOM 2073 CZ PHE A 129 -11.612 8.365 2.188 1.00 62.13 C ATOM 0 H PHE A 129 -14.799 12.863 -1.587 1.00 33.53 H new ATOM 0 HA PHE A 129 -13.600 10.362 -2.021 1.00 40.20 H new ATOM 0 HB2 PHE A 129 -12.697 12.145 -0.568 1.00 21.32 H new ATOM 0 HB3 PHE A 129 -14.114 12.071 0.461 1.00 21.32 H new ATOM 0 HD1 PHE A 129 -12.032 9.296 -1.056 1.00 72.20 H new ATOM 0 HD2 PHE A 129 -13.442 11.212 2.523 1.00 24.04 H new ATOM 0 HE1 PHE A 129 -10.976 7.522 0.314 1.00 64.05 H new ATOM 0 HE2 PHE A 129 -12.385 9.437 3.886 1.00 20.40 H new ATOM 0 HZ PHE A 129 -11.152 7.591 2.785 1.00 62.13 H new ATOM 2083 N ARG A 130 -16.301 10.334 -0.120 1.00 74.34 N ATOM 2084 CA ARG A 130 -17.318 9.451 0.441 1.00 5.14 C ATOM 2085 C ARG A 130 -18.108 8.783 -0.678 1.00 41.10 C ATOM 2086 O ARG A 130 -18.519 7.629 -0.559 1.00 32.32 O ATOM 2087 CB ARG A 130 -18.266 10.246 1.346 1.00 61.03 C ATOM 2088 CG ARG A 130 -17.609 10.468 2.712 1.00 52.24 C ATOM 2089 CD ARG A 130 -18.526 11.327 3.586 1.00 72.22 C ATOM 2090 NE ARG A 130 -18.767 12.617 2.950 1.00 44.41 N ATOM 2091 CZ ARG A 130 -19.618 13.493 3.474 1.00 13.45 C ATOM 2092 NH1 ARG A 130 -20.256 13.204 4.575 1.00 74.51 N ATOM 2093 NH2 ARG A 130 -19.817 14.641 2.886 1.00 12.21 N ATOM 0 H ARG A 130 -16.470 11.328 0.033 1.00 74.34 H new ATOM 0 HA ARG A 130 -16.824 8.681 1.034 1.00 5.14 H new ATOM 0 HB2 ARG A 130 -18.505 11.205 0.886 1.00 61.03 H new ATOM 0 HB3 ARG A 130 -19.206 9.708 1.467 1.00 61.03 H new ATOM 0 HG2 ARG A 130 -17.420 9.510 3.196 1.00 52.24 H new ATOM 0 HG3 ARG A 130 -16.643 10.958 2.588 1.00 52.24 H new ATOM 0 HD2 ARG A 130 -19.472 10.811 3.749 1.00 72.22 H new ATOM 0 HD3 ARG A 130 -18.072 11.476 4.566 1.00 72.22 H new ATOM 0 HE ARG A 130 -18.274 12.851 2.088 1.00 44.41 H new ATOM 0 HH11 ARG A 130 -20.101 12.306 5.033 1.00 74.51 H new ATOM 0 HH12 ARG A 130 -20.909 13.876 4.977 1.00 74.51 H new ATOM 0 HH21 ARG A 130 -19.319 14.866 2.024 1.00 12.21 H new ATOM 0 HH22 ARG A 130 -20.470 15.313 3.288 1.00 12.21 H new ATOM 2107 N LYS A 131 -18.308 9.515 -1.768 1.00 3.50 N ATOM 2108 CA LYS A 131 -19.042 8.978 -2.905 1.00 22.51 C ATOM 2109 C LYS A 131 -18.381 7.691 -3.386 1.00 44.42 C ATOM 2110 O LYS A 131 -19.036 6.661 -3.532 1.00 4.42 O ATOM 2111 CB LYS A 131 -19.070 10.001 -4.043 1.00 0.54 C ATOM 2112 CG LYS A 131 -20.080 9.558 -5.104 1.00 42.04 C ATOM 2113 CD LYS A 131 -20.146 10.606 -6.216 1.00 73.24 C ATOM 2114 CE LYS A 131 -21.370 10.342 -7.095 1.00 74.53 C ATOM 2115 NZ LYS A 131 -22.608 10.494 -6.279 1.00 73.43 N ATOM 0 H LYS A 131 -17.976 10.472 -1.887 1.00 3.50 H new ATOM 0 HA LYS A 131 -20.065 8.763 -2.596 1.00 22.51 H new ATOM 0 HB2 LYS A 131 -19.340 10.984 -3.656 1.00 0.54 H new ATOM 0 HB3 LYS A 131 -18.079 10.095 -4.486 1.00 0.54 H new ATOM 0 HG2 LYS A 131 -19.789 8.592 -5.517 1.00 42.04 H new ATOM 0 HG3 LYS A 131 -21.064 9.429 -4.653 1.00 42.04 H new ATOM 0 HD2 LYS A 131 -20.203 11.606 -5.785 1.00 73.24 H new ATOM 0 HD3 LYS A 131 -19.238 10.570 -6.818 1.00 73.24 H new ATOM 0 HE2 LYS A 131 -21.386 11.038 -7.933 1.00 74.53 H new ATOM 0 HE3 LYS A 131 -21.320 9.338 -7.516 1.00 74.53 H new ATOM 0 HZ1 LYS A 131 -23.395 10.787 -6.893 1.00 73.43 H new ATOM 0 HZ2 LYS A 131 -22.840 9.586 -5.828 1.00 73.43 H new ATOM 0 HZ3 LYS A 131 -22.454 11.216 -5.546 1.00 73.43 H new ATOM 2129 N LEU A 132 -17.074 7.762 -3.623 1.00 3.13 N ATOM 2130 CA LEU A 132 -16.325 6.598 -4.080 1.00 63.42 C ATOM 2131 C LEU A 132 -16.388 5.487 -3.034 1.00 14.34 C ATOM 2132 O LEU A 132 -16.705 4.336 -3.346 1.00 43.11 O ATOM 2133 CB LEU A 132 -14.857 6.992 -4.323 1.00 73.01 C ATOM 2134 CG LEU A 132 -14.641 7.472 -5.772 1.00 61.30 C ATOM 2135 CD1 LEU A 132 -14.642 6.276 -6.736 1.00 61.11 C ATOM 2136 CD2 LEU A 132 -15.746 8.464 -6.173 1.00 71.13 C ATOM 0 H LEU A 132 -16.516 8.608 -3.507 1.00 3.13 H new ATOM 0 HA LEU A 132 -16.766 6.236 -5.009 1.00 63.42 H new ATOM 0 HB2 LEU A 132 -14.570 7.782 -3.629 1.00 73.01 H new ATOM 0 HB3 LEU A 132 -14.210 6.139 -4.120 1.00 73.01 H new ATOM 0 HG LEU A 132 -13.674 7.973 -5.830 1.00 61.30 H new ATOM 0 HD11 LEU A 132 -14.488 6.630 -7.755 1.00 61.11 H new ATOM 0 HD12 LEU A 132 -13.839 5.590 -6.465 1.00 61.11 H new ATOM 0 HD13 LEU A 132 -15.599 5.758 -6.672 1.00 61.11 H new ATOM 0 HD21 LEU A 132 -15.582 8.796 -7.198 1.00 71.13 H new ATOM 0 HD22 LEU A 132 -16.718 7.975 -6.100 1.00 71.13 H new ATOM 0 HD23 LEU A 132 -15.722 9.325 -5.505 1.00 71.13 H new ATOM 2148 N ALA A 133 -16.091 5.833 -1.788 1.00 1.25 N ATOM 2149 CA ALA A 133 -16.125 4.845 -0.724 1.00 21.11 C ATOM 2150 C ALA A 133 -17.511 4.213 -0.647 1.00 41.20 C ATOM 2151 O ALA A 133 -17.646 3.031 -0.337 1.00 20.44 O ATOM 2152 CB ALA A 133 -15.763 5.483 0.618 1.00 71.34 C ATOM 0 H ALA A 133 -15.828 6.774 -1.495 1.00 1.25 H new ATOM 0 HA ALA A 133 -15.390 4.071 -0.945 1.00 21.11 H new ATOM 0 HB1 ALA A 133 -15.795 4.726 1.401 1.00 71.34 H new ATOM 0 HB2 ALA A 133 -14.760 5.905 0.561 1.00 71.34 H new ATOM 0 HB3 ALA A 133 -16.477 6.274 0.849 1.00 71.34 H new ATOM 2158 N GLY A 134 -18.542 4.998 -0.958 1.00 71.52 N ATOM 2159 CA GLY A 134 -19.904 4.482 -0.934 1.00 64.23 C ATOM 2160 C GLY A 134 -20.093 3.437 -2.023 1.00 33.34 C ATOM 2161 O GLY A 134 -20.754 2.420 -1.812 1.00 0.31 O ATOM 0 H GLY A 134 -18.460 5.979 -1.225 1.00 71.52 H new ATOM 0 HA2 GLY A 134 -20.117 4.043 0.041 1.00 64.23 H new ATOM 0 HA3 GLY A 134 -20.612 5.298 -1.077 1.00 64.23 H new ATOM 2165 N GLU A 135 -19.496 3.685 -3.187 1.00 15.34 N ATOM 2166 CA GLU A 135 -19.598 2.741 -4.288 1.00 54.22 C ATOM 2167 C GLU A 135 -19.063 1.392 -3.838 1.00 2.21 C ATOM 2168 O GLU A 135 -19.463 0.346 -4.351 1.00 52.54 O ATOM 2169 CB GLU A 135 -18.806 3.239 -5.500 1.00 71.22 C ATOM 2170 CG GLU A 135 -19.475 4.492 -6.070 1.00 11.05 C ATOM 2171 CD GLU A 135 -20.814 4.127 -6.701 1.00 14.42 C ATOM 2172 OE1 GLU A 135 -21.039 2.948 -6.925 1.00 41.20 O ATOM 2173 OE2 GLU A 135 -21.593 5.030 -6.952 1.00 65.03 O ATOM 0 H GLU A 135 -18.945 4.520 -3.387 1.00 15.34 H new ATOM 0 HA GLU A 135 -20.644 2.644 -4.579 1.00 54.22 H new ATOM 0 HB2 GLU A 135 -17.779 3.463 -5.210 1.00 71.22 H new ATOM 0 HB3 GLU A 135 -18.759 2.461 -6.262 1.00 71.22 H new ATOM 0 HG2 GLU A 135 -19.625 5.226 -5.278 1.00 11.05 H new ATOM 0 HG3 GLU A 135 -18.827 4.954 -6.815 1.00 11.05 H new ATOM 2180 N ARG A 136 -18.165 1.423 -2.853 1.00 3.45 N ATOM 2181 CA ARG A 136 -17.587 0.198 -2.307 1.00 71.25 C ATOM 2182 C ARG A 136 -18.371 -0.237 -1.068 1.00 73.32 C ATOM 2183 O ARG A 136 -17.991 -1.187 -0.385 1.00 52.32 O ATOM 2184 CB ARG A 136 -16.115 0.432 -1.939 1.00 24.14 C ATOM 2185 CG ARG A 136 -15.234 0.268 -3.181 1.00 0.22 C ATOM 2186 CD ARG A 136 -15.671 1.264 -4.256 1.00 32.32 C ATOM 2187 NE ARG A 136 -14.684 1.314 -5.328 1.00 22.23 N ATOM 2188 CZ ARG A 136 -15.002 1.772 -6.535 1.00 42.14 C ATOM 2189 NH1 ARG A 136 -16.217 2.182 -6.778 1.00 24.34 N ATOM 2190 NH2 ARG A 136 -14.100 1.811 -7.477 1.00 63.21 N ATOM 0 H ARG A 136 -17.824 2.281 -2.419 1.00 3.45 H new ATOM 0 HA ARG A 136 -17.643 -0.589 -3.059 1.00 71.25 H new ATOM 0 HB2 ARG A 136 -15.990 1.432 -1.523 1.00 24.14 H new ATOM 0 HB3 ARG A 136 -15.807 -0.275 -1.168 1.00 24.14 H new ATOM 0 HG2 ARG A 136 -14.188 0.433 -2.922 1.00 0.22 H new ATOM 0 HG3 ARG A 136 -15.311 -0.750 -3.562 1.00 0.22 H new ATOM 0 HD2 ARG A 136 -16.641 0.973 -4.659 1.00 32.32 H new ATOM 0 HD3 ARG A 136 -15.792 2.254 -3.817 1.00 32.32 H new ATOM 0 HE ARG A 136 -13.733 0.992 -5.149 1.00 22.23 H new ATOM 0 HH11 ARG A 136 -16.922 2.151 -6.042 1.00 24.34 H new ATOM 0 HH12 ARG A 136 -16.461 2.533 -7.704 1.00 24.34 H new ATOM 0 HH21 ARG A 136 -13.151 1.490 -7.288 1.00 63.21 H new ATOM 0 HH22 ARG A 136 -14.344 2.162 -8.403 1.00 63.21 H new ATOM 2204 N ASN A 137 -19.472 0.470 -0.804 1.00 22.52 N ATOM 2205 CA ASN A 137 -20.335 0.167 0.338 1.00 3.30 C ATOM 2206 C ASN A 137 -19.581 0.293 1.656 1.00 5.22 C ATOM 2207 O ASN A 137 -19.766 -0.507 2.573 1.00 12.24 O ATOM 2208 CB ASN A 137 -20.846 -1.247 0.210 1.00 64.11 C ATOM 2209 CG ASN A 137 -21.546 -1.438 -1.131 1.00 0.44 C ATOM 2210 OD1 ASN A 137 -20.985 -2.043 -2.045 1.00 61.11 O ATOM 2211 ND2 ASN A 137 -22.746 -0.957 -1.305 1.00 12.45 N ATOM 0 H ASN A 137 -19.787 1.259 -1.368 1.00 22.52 H new ATOM 0 HA ASN A 137 -21.158 0.881 0.338 1.00 3.30 H new ATOM 0 HB2 ASN A 137 -20.017 -1.950 0.299 1.00 64.11 H new ATOM 0 HB3 ASN A 137 -21.538 -1.466 1.023 1.00 64.11 H new ATOM 0 HD21 ASN A 137 -23.221 -1.082 -2.199 1.00 12.45 H new ATOM 0 HD22 ASN A 137 -23.210 -0.456 -0.547 1.00 12.45 H new ATOM 2218 N TYR A 138 -18.745 1.306 1.740 1.00 72.44 N ATOM 2219 CA TYR A 138 -17.963 1.557 2.953 1.00 4.12 C ATOM 2220 C TYR A 138 -18.781 2.360 3.964 1.00 53.42 C ATOM 2221 O TYR A 138 -19.262 3.451 3.659 1.00 42.35 O ATOM 2222 CB TYR A 138 -16.684 2.345 2.614 1.00 74.33 C ATOM 2223 CG TYR A 138 -15.554 1.399 2.279 1.00 64.33 C ATOM 2224 CD1 TYR A 138 -15.796 0.266 1.498 1.00 31.32 C ATOM 2225 CD2 TYR A 138 -14.264 1.657 2.757 1.00 34.13 C ATOM 2226 CE1 TYR A 138 -14.748 -0.612 1.193 1.00 51.43 C ATOM 2227 CE2 TYR A 138 -13.215 0.782 2.452 1.00 13.50 C ATOM 2228 CZ TYR A 138 -13.457 -0.353 1.670 1.00 11.22 C ATOM 2229 OH TYR A 138 -12.425 -1.218 1.370 1.00 72.41 O ATOM 0 H TYR A 138 -18.583 1.975 0.987 1.00 72.44 H new ATOM 0 HA TYR A 138 -17.697 0.592 3.384 1.00 4.12 H new ATOM 0 HB2 TYR A 138 -16.872 3.010 1.771 1.00 74.33 H new ATOM 0 HB3 TYR A 138 -16.402 2.973 3.459 1.00 74.33 H new ATOM 0 HD1 TYR A 138 -16.791 0.067 1.129 1.00 31.32 H new ATOM 0 HD2 TYR A 138 -14.078 2.532 3.362 1.00 34.13 H new ATOM 0 HE1 TYR A 138 -14.936 -1.488 0.590 1.00 51.43 H new ATOM 0 HE2 TYR A 138 -12.220 0.983 2.820 1.00 13.50 H new ATOM 0 HH TYR A 138 -12.750 -2.142 1.412 1.00 72.41 H new ATOM 2239 N THR A 139 -18.909 1.828 5.176 1.00 73.35 N ATOM 2240 CA THR A 139 -19.641 2.522 6.232 1.00 53.43 C ATOM 2241 C THR A 139 -18.714 3.543 6.896 1.00 45.45 C ATOM 2242 O THR A 139 -17.492 3.433 6.796 1.00 2.43 O ATOM 2243 CB THR A 139 -20.167 1.522 7.277 1.00 50.03 C ATOM 2244 OG1 THR A 139 -19.286 1.489 8.388 1.00 62.52 O ATOM 2245 CG2 THR A 139 -20.266 0.119 6.665 1.00 5.14 C ATOM 0 H THR A 139 -18.519 0.926 5.451 1.00 73.35 H new ATOM 0 HA THR A 139 -20.498 3.035 5.796 1.00 53.43 H new ATOM 0 HB THR A 139 -21.158 1.840 7.602 1.00 50.03 H new ATOM 0 HG1 THR A 139 -19.622 0.853 9.054 1.00 62.52 H new ATOM 0 HG21 THR A 139 -20.639 -0.579 7.414 1.00 5.14 H new ATOM 0 HG22 THR A 139 -20.949 0.140 5.816 1.00 5.14 H new ATOM 0 HG23 THR A 139 -19.280 -0.202 6.329 1.00 5.14 H new ATOM 2253 N ASP A 140 -19.290 4.563 7.521 1.00 53.52 N ATOM 2254 CA ASP A 140 -18.483 5.620 8.130 1.00 5.52 C ATOM 2255 C ASP A 140 -17.289 5.066 8.914 1.00 31.22 C ATOM 2256 O ASP A 140 -16.156 5.486 8.687 1.00 10.14 O ATOM 2257 CB ASP A 140 -19.356 6.455 9.068 1.00 20.31 C ATOM 2258 CG ASP A 140 -19.955 5.566 10.153 1.00 21.43 C ATOM 2259 OD1 ASP A 140 -20.050 4.372 9.926 1.00 1.43 O ATOM 2260 OD2 ASP A 140 -20.311 6.094 11.193 1.00 44.34 O ATOM 0 H ASP A 140 -20.298 4.683 7.620 1.00 53.52 H new ATOM 0 HA ASP A 140 -18.091 6.235 7.320 1.00 5.52 H new ATOM 0 HB2 ASP A 140 -18.761 7.247 9.523 1.00 20.31 H new ATOM 0 HB3 ASP A 140 -20.152 6.939 8.502 1.00 20.31 H new ATOM 2265 N GLU A 141 -17.526 4.153 9.850 1.00 53.42 N ATOM 2266 CA GLU A 141 -16.426 3.613 10.650 1.00 10.41 C ATOM 2267 C GLU A 141 -15.334 3.002 9.770 1.00 2.44 C ATOM 2268 O GLU A 141 -14.201 2.825 10.215 1.00 45.00 O ATOM 2269 CB GLU A 141 -16.957 2.567 11.641 1.00 15.24 C ATOM 2270 CG GLU A 141 -17.156 1.222 10.935 1.00 61.03 C ATOM 2271 CD GLU A 141 -18.028 0.308 11.790 1.00 21.14 C ATOM 2272 OE1 GLU A 141 -18.347 0.697 12.902 1.00 3.54 O ATOM 2273 OE2 GLU A 141 -18.362 -0.767 11.322 1.00 23.12 O ATOM 0 H GLU A 141 -18.447 3.776 10.073 1.00 53.42 H new ATOM 0 HA GLU A 141 -15.980 4.440 11.204 1.00 10.41 H new ATOM 0 HB2 GLU A 141 -16.257 2.451 12.469 1.00 15.24 H new ATOM 0 HB3 GLU A 141 -17.901 2.906 12.067 1.00 15.24 H new ATOM 0 HG2 GLU A 141 -17.623 1.378 9.962 1.00 61.03 H new ATOM 0 HG3 GLU A 141 -16.190 0.751 10.753 1.00 61.03 H new ATOM 2280 N MET A 142 -15.678 2.674 8.529 1.00 4.40 N ATOM 2281 CA MET A 142 -14.710 2.075 7.611 1.00 61.31 C ATOM 2282 C MET A 142 -13.802 3.136 7.011 1.00 43.01 C ATOM 2283 O MET A 142 -12.725 2.832 6.497 1.00 0.32 O ATOM 2284 CB MET A 142 -15.444 1.333 6.498 1.00 2.32 C ATOM 2285 CG MET A 142 -16.633 0.564 7.095 1.00 5.12 C ATOM 2286 SD MET A 142 -16.727 -1.082 6.355 1.00 3.23 S ATOM 2287 CE MET A 142 -15.431 -1.828 7.373 1.00 41.33 C ATOM 0 H MET A 142 -16.610 2.810 8.137 1.00 4.40 H new ATOM 0 HA MET A 142 -14.093 1.373 8.172 1.00 61.31 H new ATOM 0 HB2 MET A 142 -15.794 2.039 5.745 1.00 2.32 H new ATOM 0 HB3 MET A 142 -14.765 0.643 5.997 1.00 2.32 H new ATOM 0 HG2 MET A 142 -16.519 0.481 8.176 1.00 5.12 H new ATOM 0 HG3 MET A 142 -17.559 1.109 6.913 1.00 5.12 H new ATOM 0 HE1 MET A 142 -14.887 -2.568 6.785 1.00 41.33 H new ATOM 0 HE2 MET A 142 -14.742 -1.054 7.709 1.00 41.33 H new ATOM 0 HE3 MET A 142 -15.882 -2.313 8.239 1.00 41.33 H new ATOM 2297 N VAL A 143 -14.245 4.381 7.090 1.00 64.53 N ATOM 2298 CA VAL A 143 -13.474 5.506 6.565 1.00 14.22 C ATOM 2299 C VAL A 143 -13.250 6.527 7.680 1.00 14.35 C ATOM 2300 O VAL A 143 -14.202 6.998 8.301 1.00 2.04 O ATOM 2301 CB VAL A 143 -14.225 6.127 5.377 1.00 64.42 C ATOM 2302 CG1 VAL A 143 -15.344 7.045 5.875 1.00 63.32 C ATOM 2303 CG2 VAL A 143 -13.250 6.924 4.507 1.00 15.42 C ATOM 0 H VAL A 143 -15.136 4.642 7.513 1.00 64.53 H new ATOM 0 HA VAL A 143 -12.500 5.167 6.212 1.00 14.22 H new ATOM 0 HB VAL A 143 -14.666 5.326 4.784 1.00 64.42 H new ATOM 0 HG11 VAL A 143 -15.867 7.477 5.022 1.00 63.32 H new ATOM 0 HG12 VAL A 143 -16.047 6.469 6.477 1.00 63.32 H new ATOM 0 HG13 VAL A 143 -14.917 7.844 6.481 1.00 63.32 H new ATOM 0 HG21 VAL A 143 -13.787 7.362 3.666 1.00 15.42 H new ATOM 0 HG22 VAL A 143 -12.797 7.717 5.101 1.00 15.42 H new ATOM 0 HG23 VAL A 143 -12.470 6.261 4.133 1.00 15.42 H new ATOM 2313 N ALA A 144 -11.978 6.829 7.960 1.00 21.22 N ATOM 2314 CA ALA A 144 -11.636 7.758 9.042 1.00 22.10 C ATOM 2315 C ALA A 144 -10.914 9.007 8.534 1.00 31.53 C ATOM 2316 O ALA A 144 -9.808 8.921 7.998 1.00 10.11 O ATOM 2317 CB ALA A 144 -10.736 7.035 10.057 1.00 35.50 C ATOM 0 H ALA A 144 -11.176 6.448 7.458 1.00 21.22 H new ATOM 0 HA ALA A 144 -12.568 8.083 9.505 1.00 22.10 H new ATOM 0 HB1 ALA A 144 -10.477 7.719 10.865 1.00 35.50 H new ATOM 0 HB2 ALA A 144 -11.266 6.175 10.465 1.00 35.50 H new ATOM 0 HB3 ALA A 144 -9.826 6.698 9.561 1.00 35.50 H new ATOM 2323 N MET A 145 -11.539 10.169 8.731 1.00 34.32 N ATOM 2324 CA MET A 145 -10.942 11.434 8.317 1.00 63.14 C ATOM 2325 C MET A 145 -9.956 11.875 9.395 1.00 14.24 C ATOM 2326 O MET A 145 -10.154 11.565 10.570 1.00 64.15 O ATOM 2327 CB MET A 145 -12.029 12.515 8.122 1.00 23.12 C ATOM 2328 CG MET A 145 -13.424 11.876 7.918 1.00 13.52 C ATOM 2329 SD MET A 145 -14.216 12.606 6.466 1.00 53.13 S ATOM 2330 CE MET A 145 -13.282 11.687 5.213 1.00 63.10 C ATOM 0 H MET A 145 -12.454 10.258 9.173 1.00 34.32 H new ATOM 0 HA MET A 145 -10.428 11.300 7.365 1.00 63.14 H new ATOM 0 HB2 MET A 145 -12.051 13.173 8.991 1.00 23.12 H new ATOM 0 HB3 MET A 145 -11.780 13.134 7.260 1.00 23.12 H new ATOM 0 HG2 MET A 145 -13.326 10.798 7.789 1.00 13.52 H new ATOM 0 HG3 MET A 145 -14.042 12.036 8.802 1.00 13.52 H new ATOM 0 HE1 MET A 145 -12.567 12.354 4.731 1.00 63.10 H new ATOM 0 HE2 MET A 145 -12.748 10.864 5.688 1.00 63.10 H new ATOM 0 HE3 MET A 145 -13.969 11.290 4.466 1.00 63.10 H new ATOM 2340 N LEU A 146 -8.882 12.572 9.007 1.00 12.01 N ATOM 2341 CA LEU A 146 -7.891 12.998 9.956 1.00 23.41 C ATOM 2342 C LEU A 146 -7.768 14.536 9.978 1.00 21.43 C ATOM 2343 O LEU A 146 -7.813 15.183 8.933 1.00 31.13 O ATOM 2344 CB LEU A 146 -6.580 12.317 9.539 1.00 10.10 C ATOM 2345 CG LEU A 146 -5.856 11.729 10.742 1.00 33.14 C ATOM 2346 CD1 LEU A 146 -6.793 10.890 11.641 1.00 44.05 C ATOM 2347 CD2 LEU A 146 -4.744 10.817 10.257 1.00 0.12 C ATOM 0 H LEU A 146 -8.692 12.844 8.042 1.00 12.01 H new ATOM 0 HA LEU A 146 -8.161 12.714 10.973 1.00 23.41 H new ATOM 0 HB2 LEU A 146 -6.791 11.528 8.817 1.00 10.10 H new ATOM 0 HB3 LEU A 146 -5.934 13.040 9.041 1.00 10.10 H new ATOM 0 HG LEU A 146 -5.471 12.565 11.325 1.00 33.14 H new ATOM 0 HD11 LEU A 146 -6.228 10.493 12.485 1.00 44.05 H new ATOM 0 HD12 LEU A 146 -7.603 11.519 12.010 1.00 44.05 H new ATOM 0 HD13 LEU A 146 -7.209 10.065 11.063 1.00 44.05 H new ATOM 0 HD21 LEU A 146 -4.222 10.393 11.114 1.00 0.12 H new ATOM 0 HD22 LEU A 146 -5.169 10.013 9.657 1.00 0.12 H new ATOM 0 HD23 LEU A 146 -4.042 11.390 9.651 1.00 0.12 H new ATOM 2359 N PRO A 147 -7.641 15.121 11.156 1.00 74.32 N ATOM 2360 CA PRO A 147 -7.541 16.610 11.338 1.00 13.22 C ATOM 2361 C PRO A 147 -6.196 17.189 10.900 1.00 62.42 C ATOM 2362 O PRO A 147 -5.195 16.478 10.818 1.00 32.22 O ATOM 2363 CB PRO A 147 -7.717 16.778 12.851 1.00 50.41 C ATOM 2364 CG PRO A 147 -7.144 15.526 13.413 1.00 23.44 C ATOM 2365 CD PRO A 147 -7.575 14.432 12.460 1.00 75.41 C ATOM 0 HA PRO A 147 -8.275 17.137 10.729 1.00 13.22 H new ATOM 0 HB2 PRO A 147 -7.192 17.659 13.220 1.00 50.41 H new ATOM 0 HB3 PRO A 147 -8.766 16.895 13.122 1.00 50.41 H new ATOM 0 HG2 PRO A 147 -6.058 15.585 13.480 1.00 23.44 H new ATOM 0 HG3 PRO A 147 -7.516 15.340 14.421 1.00 23.44 H new ATOM 0 HD2 PRO A 147 -6.861 13.609 12.444 1.00 75.41 H new ATOM 0 HD3 PRO A 147 -8.540 14.011 12.741 1.00 75.41 H new ATOM 2373 N ARG A 148 -6.195 18.489 10.611 1.00 54.23 N ATOM 2374 CA ARG A 148 -4.989 19.180 10.171 1.00 1.22 C ATOM 2375 C ARG A 148 -3.855 19.052 11.186 1.00 0.43 C ATOM 2376 O ARG A 148 -2.712 19.402 10.895 1.00 13.04 O ATOM 2377 CB ARG A 148 -5.300 20.661 9.947 1.00 51.40 C ATOM 2378 CG ARG A 148 -5.677 21.312 11.279 1.00 43.21 C ATOM 2379 CD ARG A 148 -6.239 22.710 11.024 1.00 35.10 C ATOM 2380 NE ARG A 148 -7.562 22.620 10.415 1.00 62.22 N ATOM 2381 CZ ARG A 148 -8.618 22.231 11.120 1.00 1.20 C ATOM 2382 NH1 ARG A 148 -8.482 21.923 12.382 1.00 52.02 N ATOM 2383 NH2 ARG A 148 -9.791 22.158 10.554 1.00 12.35 N ATOM 0 H ARG A 148 -7.020 19.085 10.675 1.00 54.23 H new ATOM 0 HA ARG A 148 -4.662 18.715 9.241 1.00 1.22 H new ATOM 0 HB2 ARG A 148 -4.434 21.164 9.517 1.00 51.40 H new ATOM 0 HB3 ARG A 148 -6.117 20.768 9.234 1.00 51.40 H new ATOM 0 HG2 ARG A 148 -6.416 20.701 11.798 1.00 43.21 H new ATOM 0 HG3 ARG A 148 -4.802 21.373 11.926 1.00 43.21 H new ATOM 0 HD2 ARG A 148 -6.300 23.262 11.962 1.00 35.10 H new ATOM 0 HD3 ARG A 148 -5.567 23.266 10.370 1.00 35.10 H new ATOM 0 HE ARG A 148 -7.678 22.860 9.430 1.00 62.22 H new ATOM 0 HH11 ARG A 148 -7.565 21.981 12.825 1.00 52.02 H new ATOM 0 HH12 ARG A 148 -9.293 21.624 12.924 1.00 52.02 H new ATOM 0 HH21 ARG A 148 -9.898 22.400 9.569 1.00 12.35 H new ATOM 0 HH22 ARG A 148 -10.601 21.859 11.097 1.00 12.35 H new ATOM 2397 N GLN A 149 -4.175 18.566 12.380 1.00 64.01 N ATOM 2398 CA GLN A 149 -3.168 18.418 13.428 1.00 11.12 C ATOM 2399 C GLN A 149 -1.901 17.759 12.888 1.00 23.43 C ATOM 2400 O GLN A 149 -1.954 16.698 12.266 1.00 1.45 O ATOM 2401 CB GLN A 149 -3.727 17.580 14.579 1.00 63.41 C ATOM 2402 CG GLN A 149 -4.811 18.374 15.309 1.00 22.32 C ATOM 2403 CD GLN A 149 -5.399 17.537 16.439 1.00 72.30 C ATOM 2404 OE1 GLN A 149 -6.222 16.655 16.196 1.00 52.21 O ATOM 2405 NE2 GLN A 149 -5.025 17.762 17.669 1.00 51.13 N ATOM 0 H GLN A 149 -5.114 18.270 12.646 1.00 64.01 H new ATOM 0 HA GLN A 149 -2.913 19.414 13.789 1.00 11.12 H new ATOM 0 HB2 GLN A 149 -4.140 16.647 14.196 1.00 63.41 H new ATOM 0 HB3 GLN A 149 -2.928 17.314 15.271 1.00 63.41 H new ATOM 0 HG2 GLN A 149 -4.390 19.296 15.710 1.00 22.32 H new ATOM 0 HG3 GLN A 149 -5.597 18.660 14.610 1.00 22.32 H new ATOM 0 HE21 GLN A 149 -4.343 18.493 17.869 1.00 51.13 H new ATOM 0 HE22 GLN A 149 -5.415 17.206 18.430 1.00 51.13 H new ATOM 2414 N GLU A 150 -0.758 18.399 13.139 1.00 42.02 N ATOM 2415 CA GLU A 150 0.535 17.882 12.688 1.00 71.13 C ATOM 2416 C GLU A 150 1.466 17.681 13.883 1.00 22.12 C ATOM 2417 O GLU A 150 1.610 18.570 14.723 1.00 71.23 O ATOM 2418 CB GLU A 150 1.172 18.864 11.699 1.00 34.32 C ATOM 2419 CG GLU A 150 0.968 20.300 12.193 1.00 13.13 C ATOM 2420 CD GLU A 150 -0.460 20.755 11.910 1.00 52.33 C ATOM 2421 OE1 GLU A 150 -0.820 20.820 10.747 1.00 32.34 O ATOM 2422 OE2 GLU A 150 -1.172 21.030 12.861 1.00 3.52 O ATOM 0 H GLU A 150 -0.701 19.278 13.653 1.00 42.02 H new ATOM 0 HA GLU A 150 0.378 16.923 12.194 1.00 71.13 H new ATOM 0 HB2 GLU A 150 2.236 18.652 11.596 1.00 34.32 H new ATOM 0 HB3 GLU A 150 0.726 18.742 10.712 1.00 34.32 H new ATOM 0 HG2 GLU A 150 1.171 20.357 13.262 1.00 13.13 H new ATOM 0 HG3 GLU A 150 1.675 20.967 11.699 1.00 13.13 H new ATOM 2429 N GLU A 151 2.099 16.510 13.952 1.00 4.03 N ATOM 2430 CA GLU A 151 3.021 16.203 15.047 1.00 52.44 C ATOM 2431 C GLU A 151 4.442 16.076 14.514 1.00 73.51 C ATOM 2432 O GLU A 151 5.406 16.449 15.184 1.00 3.50 O ATOM 2433 CB GLU A 151 2.608 14.896 15.725 1.00 72.13 C ATOM 2434 CG GLU A 151 1.273 15.095 16.447 1.00 41.50 C ATOM 2435 CD GLU A 151 1.465 16.005 17.655 1.00 14.22 C ATOM 2436 OE1 GLU A 151 2.602 16.197 18.053 1.00 62.43 O ATOM 2437 OE2 GLU A 151 0.471 16.496 18.165 1.00 41.41 O ATOM 0 H GLU A 151 1.992 15.762 13.267 1.00 4.03 H new ATOM 0 HA GLU A 151 2.984 17.013 15.775 1.00 52.44 H new ATOM 0 HB2 GLU A 151 2.518 14.102 14.984 1.00 72.13 H new ATOM 0 HB3 GLU A 151 3.374 14.584 16.435 1.00 72.13 H new ATOM 0 HG2 GLU A 151 0.543 15.531 15.765 1.00 41.50 H new ATOM 0 HG3 GLU A 151 0.876 14.132 16.766 1.00 41.50 H new ATOM 2444 N CYS A 152 4.561 15.552 13.298 1.00 54.01 N ATOM 2445 CA CYS A 152 5.864 15.377 12.663 1.00 34.43 C ATOM 2446 C CYS A 152 5.771 15.728 11.180 1.00 75.51 C ATOM 2447 O CYS A 152 4.681 15.762 10.609 1.00 62.32 O ATOM 2448 CB CYS A 152 6.339 13.926 12.835 1.00 0.24 C ATOM 2449 SG CYS A 152 7.554 13.829 14.176 1.00 44.10 S ATOM 0 H CYS A 152 3.771 15.241 12.732 1.00 54.01 H new ATOM 0 HA CYS A 152 6.585 16.042 13.138 1.00 34.43 H new ATOM 0 HB2 CYS A 152 5.489 13.280 13.055 1.00 0.24 H new ATOM 0 HB3 CYS A 152 6.781 13.566 11.906 1.00 0.24 H new ATOM 2454 N THR A 153 6.920 15.987 10.569 1.00 75.14 N ATOM 2455 CA THR A 153 6.966 16.339 9.152 1.00 22.23 C ATOM 2456 C THR A 153 8.303 15.925 8.544 1.00 50.03 C ATOM 2457 O THR A 153 9.281 15.714 9.262 1.00 31.11 O ATOM 2458 CB THR A 153 6.769 17.848 8.982 1.00 71.11 C ATOM 2459 OG1 THR A 153 7.765 18.540 9.721 1.00 5.13 O ATOM 2460 CG2 THR A 153 5.381 18.247 9.493 1.00 31.04 C ATOM 0 H THR A 153 7.830 15.961 11.029 1.00 75.14 H new ATOM 0 HA THR A 153 6.165 15.809 8.637 1.00 22.23 H new ATOM 0 HB THR A 153 6.852 18.108 7.927 1.00 71.11 H new ATOM 0 HG1 THR A 153 7.641 19.506 9.612 1.00 5.13 H new ATOM 0 HG21 THR A 153 5.243 19.321 9.371 1.00 31.04 H new ATOM 0 HG22 THR A 153 4.617 17.716 8.924 1.00 31.04 H new ATOM 0 HG23 THR A 153 5.293 17.988 10.548 1.00 31.04 H new ATOM 2468 N VAL A 154 8.341 15.814 7.217 1.00 43.53 N ATOM 2469 CA VAL A 154 9.568 15.429 6.519 1.00 13.03 C ATOM 2470 C VAL A 154 10.192 16.639 5.841 1.00 70.14 C ATOM 2471 O VAL A 154 9.537 17.658 5.621 1.00 41.12 O ATOM 2472 CB VAL A 154 9.270 14.332 5.486 1.00 11.05 C ATOM 2473 CG1 VAL A 154 7.943 14.627 4.786 1.00 73.42 C ATOM 2474 CG2 VAL A 154 10.388 14.249 4.435 1.00 75.21 C ATOM 0 H VAL A 154 7.542 15.984 6.606 1.00 43.53 H new ATOM 0 HA VAL A 154 10.276 15.037 7.249 1.00 13.03 H new ATOM 0 HB VAL A 154 9.210 13.378 6.010 1.00 11.05 H new ATOM 0 HG11 VAL A 154 7.736 13.846 4.054 1.00 73.42 H new ATOM 0 HG12 VAL A 154 7.141 14.655 5.524 1.00 73.42 H new ATOM 0 HG13 VAL A 154 8.005 15.591 4.280 1.00 73.42 H new ATOM 0 HG21 VAL A 154 10.153 13.465 3.715 1.00 75.21 H new ATOM 0 HG22 VAL A 154 10.472 15.204 3.917 1.00 75.21 H new ATOM 0 HG23 VAL A 154 11.333 14.019 4.927 1.00 75.21 H new ATOM 2484 N ASP A 155 11.469 16.505 5.518 1.00 53.10 N ATOM 2485 CA ASP A 155 12.216 17.578 4.861 1.00 33.15 C ATOM 2486 C ASP A 155 12.616 17.182 3.454 1.00 24.14 C ATOM 2487 O ASP A 155 12.540 16.017 3.064 1.00 1.22 O ATOM 2488 CB ASP A 155 13.470 17.938 5.652 1.00 73.41 C ATOM 2489 CG ASP A 155 14.319 18.945 4.879 1.00 20.14 C ATOM 2490 OD1 ASP A 155 15.059 18.519 4.008 1.00 61.10 O ATOM 2491 OD2 ASP A 155 14.214 20.124 5.171 1.00 21.31 O ATOM 0 H ASP A 155 12.015 15.663 5.699 1.00 53.10 H new ATOM 0 HA ASP A 155 11.558 18.446 4.816 1.00 33.15 H new ATOM 0 HB2 ASP A 155 13.190 18.356 6.619 1.00 73.41 H new ATOM 0 HB3 ASP A 155 14.053 17.038 5.850 1.00 73.41 H new ATOM 2496 N GLU A 156 13.042 18.181 2.707 1.00 72.24 N ATOM 2497 CA GLU A 156 13.466 17.984 1.326 1.00 2.51 C ATOM 2498 C GLU A 156 14.554 18.985 0.948 1.00 22.34 C ATOM 2499 O GLU A 156 14.284 20.011 0.325 1.00 60.44 O ATOM 2500 CB GLU A 156 12.268 18.141 0.394 1.00 12.40 C ATOM 2501 CG GLU A 156 11.419 19.337 0.836 1.00 31.31 C ATOM 2502 CD GLU A 156 10.260 19.540 -0.134 1.00 54.20 C ATOM 2503 OE1 GLU A 156 10.236 18.858 -1.147 1.00 10.33 O ATOM 2504 OE2 GLU A 156 9.414 20.372 0.148 1.00 31.31 O ATOM 0 H GLU A 156 13.106 19.146 3.032 1.00 72.24 H new ATOM 0 HA GLU A 156 13.874 16.978 1.226 1.00 2.51 H new ATOM 0 HB2 GLU A 156 12.610 18.285 -0.631 1.00 12.40 H new ATOM 0 HB3 GLU A 156 11.666 17.232 0.405 1.00 12.40 H new ATOM 0 HG2 GLU A 156 11.036 19.170 1.843 1.00 31.31 H new ATOM 0 HG3 GLU A 156 12.034 20.236 0.874 1.00 31.31 H new ATOM 2511 N VAL A 157 15.785 18.669 1.327 1.00 41.13 N ATOM 2512 CA VAL A 157 16.918 19.537 1.024 1.00 51.41 C ATOM 2513 C VAL A 157 17.403 19.295 -0.404 1.00 11.12 C ATOM 2514 O VAL A 157 18.223 20.069 -0.869 1.00 22.34 O ATOM 2515 CB VAL A 157 18.057 19.263 2.015 1.00 33.14 C ATOM 2516 CG1 VAL A 157 17.848 20.086 3.290 1.00 64.33 C ATOM 2517 CG2 VAL A 157 18.075 17.774 2.370 1.00 63.55 C ATOM 2518 OXT VAL A 157 16.945 18.341 -1.010 1.00 22.34 O ATOM 0 H VAL A 157 16.025 17.822 1.843 1.00 41.13 H new ATOM 0 HA VAL A 157 16.602 20.576 1.115 1.00 51.41 H new ATOM 0 HB VAL A 157 19.005 19.544 1.557 1.00 33.14 H new ATOM 0 HG11 VAL A 157 18.660 19.887 3.989 1.00 64.33 H new ATOM 0 HG12 VAL A 157 17.836 21.147 3.040 1.00 64.33 H new ATOM 0 HG13 VAL A 157 16.898 19.811 3.749 1.00 64.33 H new ATOM 0 HG21 VAL A 157 18.884 17.578 3.074 1.00 63.55 H new ATOM 0 HG22 VAL A 157 17.124 17.497 2.824 1.00 63.55 H new ATOM 0 HG23 VAL A 157 18.231 17.186 1.465 1.00 63.55 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 0.834 3.996 3.249 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.099 2.005 2.542 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.313 2.613 2.408 1.00 20.00 O HETATM 2532 N1 EB4 A 200 0.568 -1.401 5.984 1.00 20.00 N HETATM 2533 C5 EB4 A 200 3.566 2.084 2.438 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.524 0.800 2.642 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.158 0.061 3.762 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.010 1.695 3.696 1.00 20.00 C HETATM 2537 C6 EB4 A 200 0.276 4.664 4.293 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.388 1.917 1.330 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.790 0.755 6.069 1.00 20.00 N HETATM 2540 C9 EB4 A 200 -0.488 5.821 4.180 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -2.018 -0.967 1.966 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.229 2.949 5.528 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.867 2.936 8.036 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -0.723 -1.191 3.982 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.453 0.284 1.746 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.517 4.107 5.544 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.654 1.363 1.481 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.757 0.667 4.564 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.132 1.900 4.713 1.00 20.00 O HETATM 2550 C12 EB4 A 200 -0.980 6.438 5.324 1.00 20.00 C HETATM 2551 C15 EB4 A 200 -0.710 5.899 6.577 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.098 0.974 2.740 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -1.652 -1.705 3.086 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -0.820 -3.095 5.390 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -0.333 -1.985 5.181 1.00 20.00 C HETATM 2556 C22 EB4 A 200 1.055 -2.055 7.207 1.00 20.00 C HETATM 2557 C25 EB4 A 200 0.737 -1.209 8.430 1.00 20.00 C HETATM 2558 O10 EB4 A 200 0.492 -1.741 9.512 1.00 20.00 O HETATM 2559 O15 EB4 A 200 0.746 0.138 8.241 1.00 20.00 O HETATM 2560 C30 EB4 A 200 0.426 0.947 9.383 1.00 20.00 C HETATM 2561 C24 EB4 A 200 1.204 2.246 9.289 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.326 4.162 8.035 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.039 4.734 6.689 1.00 20.00 C HETATM 2564 O9 EB4 A 200 0.071 4.798 9.056 1.00 20.00 O HETATM 2565 C27 EB4 A 200 2.710 1.870 9.436 1.00 20.00 C HETATM 2566 O12 EB4 A 200 3.187 1.569 10.528 1.00 20.00 O HETATM 2567 C28 EB4 A 200 2.531 -2.403 7.073 1.00 20.00 C HETATM 2568 O13 EB4 A 200 3.369 -1.262 6.823 1.00 20.00 O HETATM 2569 C26 EB4 A 200 4.177 -0.824 7.827 1.00 20.00 C HETATM 2570 O11 EB4 A 200 4.214 -1.324 8.950 1.00 20.00 O HETATM 2571 C23 EB4 A 200 5.065 0.368 7.461 1.00 20.00 C HETATM 2572 C29 EB4 A 200 4.799 1.535 8.396 1.00 20.00 C HETATM 2573 O14 EB4 A 200 3.420 1.906 8.277 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.722 0.750 5.106 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.896 0.430 5.290 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.276 1.141 3.849 1.00 20.00 C HETATM 0 H30A EB4 A 200 -0.645 1.149 9.416 1.00 20.00 H new HETATM 0 H29A EB4 A 200 5.029 1.257 9.424 1.00 20.00 H new HETATM 0 H28A EB4 A 200 2.864 -2.895 7.986 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 1.049 2.471 7.147 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.842 1.042 5.824 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.925 -0.477 5.739 1.00 20.00 H new HETATM 0 H9 EB4 A 200 -0.700 6.242 3.197 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.040 2.220 0.343 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.740 0.862 0.868 1.00 20.00 H new HETATM 0 H30 EB4 A 200 0.679 0.420 10.303 1.00 20.00 H new HETATM 0 H29 EB4 A 200 5.442 2.378 8.142 1.00 20.00 H new HETATM 0 H28 EB4 A 200 2.655 -3.120 6.261 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.951 2.956 10.076 1.00 20.00 H new HETATM 0 H23 EB4 A 200 6.113 0.087 7.563 1.00 20.00 H new HETATM 0 H22 EB4 A 200 0.530 -3.000 7.349 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -1.087 6.391 7.473 1.00 20.00 H new HETATM 0 H14 EB4 A 200 7.090 0.538 2.858 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.094 -2.686 3.261 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -1.578 7.345 5.239 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.299 1.233 0.612 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.747 -1.369 1.262 1.00 20.00 H new HETATM 2598 GA GA A 201 1.377 2.258 3.944 1.00 20.00 GA HETATM 2599 C1 ACD A 300 0.676 11.704 -11.527 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.875 10.886 -10.249 1.00 20.00 C HETATM 2601 C3 ACD A 300 -0.499 10.570 -9.655 1.00 20.00 C HETATM 2602 C4 ACD A 300 -0.357 9.847 -8.315 1.00 20.00 C HETATM 2603 C5 ACD A 300 -1.750 9.645 -7.717 1.00 20.00 C HETATM 2604 C6 ACD A 300 -1.921 9.384 -6.218 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.696 9.321 -5.304 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.065 7.930 -5.406 1.00 20.00 C HETATM 2607 C9 ACD A 300 0.135 7.063 -4.161 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.288 7.563 -2.778 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.167 6.516 -2.091 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.727 5.868 -0.776 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.602 6.253 -0.121 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.457 7.696 0.370 1.00 20.00 C HETATM 2613 C15 ACD A 300 1.669 8.629 0.384 1.00 20.00 C HETATM 2614 C16 ACD A 300 3.035 8.130 -0.091 1.00 20.00 C HETATM 2615 C17 ACD A 300 2.994 7.881 -1.600 1.00 20.00 C HETATM 2616 C18 ACD A 300 2.578 9.159 -2.331 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.411 8.839 -3.818 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.053 10.100 -4.607 1.00 20.00 C HETATM 2619 O1 ACD A 300 -0.377 12.372 -11.613 1.00 20.00 O HETATM 2620 O2 ACD A 300 1.581 11.642 -12.387 1.00 20.00 O HETATM 0 H203 ACD A 300 1.118 10.512 -4.229 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.847 10.838 -4.493 1.00 20.00 H new HETATM 0 H201 ACD A 300 1.939 9.849 -5.662 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.334 8.410 -4.208 1.00 20.00 H new HETATM 0 H191 ACD A 300 1.631 8.089 -3.948 1.00 20.00 H new HETATM 0 H182 ACD A 300 1.645 9.543 -1.920 1.00 20.00 H new HETATM 0 H181 ACD A 300 3.331 9.935 -2.193 1.00 20.00 H new HETATM 0 H172 ACD A 300 3.974 7.555 -1.950 1.00 20.00 H new HETATM 0 H171 ACD A 300 2.292 7.078 -1.825 1.00 20.00 H new HETATM 0 H162 ACD A 300 3.804 8.865 0.146 1.00 20.00 H new HETATM 0 H161 ACD A 300 3.300 7.211 0.432 1.00 20.00 H new HETATM 0 H132 ACD A 300 0.831 5.584 0.709 1.00 20.00 H new HETATM 0 H131 ACD A 300 1.422 6.169 -0.834 1.00 20.00 H new HETATM 0 H102 ACD A 300 0.594 7.766 -2.170 1.00 20.00 H new HETATM 0 H101 ACD A 300 -0.833 8.502 -2.872 1.00 20.00 H new HETATM 0 HO2 ACD A 300 2.419 11.365 -11.961 1.00 20.00 H new HETATM 0 H9 ACD A 300 0.585 6.075 -4.261 1.00 20.00 H new HETATM 0 H8 ACD A 300 0.246 7.552 -6.380 1.00 20.00 H new HETATM 0 H72 ACD A 300 0.027 10.084 -5.592 1.00 20.00 H new HETATM 0 H71 ACD A 300 -0.985 9.528 -4.274 1.00 20.00 H new HETATM 0 H6 ACD A 300 -2.918 9.243 -5.801 1.00 20.00 H new HETATM 0 H5 ACD A 300 -2.627 9.687 -8.362 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.137 8.886 -8.455 1.00 20.00 H new HETATM 0 H41 ACD A 300 0.265 10.429 -7.635 1.00 20.00 H new HETATM 0 H32 ACD A 300 -1.062 11.493 -9.518 1.00 20.00 H new HETATM 0 H31 ACD A 300 -1.067 9.951 -10.349 1.00 20.00 H new HETATM 0 H22 ACD A 300 1.413 9.964 -10.469 1.00 20.00 H new HETATM 0 H21 ACD A 300 1.478 11.444 -9.533 1.00 20.00 H new HETATM 0 H15 ACD A 300 1.559 9.655 0.734 1.00 20.00 H new HETATM 0 H14 ACD A 300 -0.513 8.059 0.711 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.367 5.124 -0.301 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.116 6.229 -2.543 1.00 20.00 H new