USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 THR OG1 : rot 180:sc= -1.12 USER MOD Set 1.2: A 91 GLN : amide:sc= 0 X(o=-1.1,f=-1.5) USER MOD Set 2.1: A 69 ASN :FLIP amide:sc= -0.223 F(o=-2.5!,f=-1.1) USER MOD Set 2.2: A 100 MET CE :methyl -129:sc= -0.882 (180deg=-2.53!) USER MOD Set 3.1: A 1 SER OG : rot 139:sc= 0.938 USER MOD Set 3.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 47 CYS SG : rot 86:sc= -5.07! USER MOD Set 3.4: A 90 GLN : amide:sc= 1.97 X(o=-2.2,f=-2.4) USER MOD Set 4.1: A 30 HIS : no HE2:sc= -0.267 K(o=-2.2,f=-3.5) USER MOD Set 4.2: A 37 CYS SG : rot 180:sc= -1.93! USER MOD Set 5.1: A 21 THR OG1 : rot -69:sc= 0.558 USER MOD Set 5.2: A 41 SER OG : rot -147:sc= 1 USER MOD Set 6.1: A 16 CYS SG : rot -160:sc= 1.12 USER MOD Set 6.2: A 59 TYR OH : rot -74:sc= 1.48 USER MOD Single : A 1 SER N :NH3+ -150:sc= 0.015 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.314 K(o=-0.31,f=-1.9) USER MOD Single : A 8 THR OG1 : rot 40:sc= 0.381 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.3!) USER MOD Single : A 15 LYS NZ :NH3+ -131:sc= 0.0692 (180deg=0.00379) USER MOD Single : A 19 MET CE :methyl 166:sc= -1.57 (180deg=-1.88!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.472 F(o=-1.9,f=-0.47) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.445 F(o=-1.3,f=-0.45) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.05 F(o=-1.7,f=-1.1) USER MOD Single : A 55 THR OG1 : rot -26:sc= 1.25 USER MOD Single : A 57 MET CE :methyl -161:sc= -0.142 (180deg=-0.728) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0.806 (180deg=0.634) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0309) USER MOD Single : A 61 ASN : amide:sc= 0.904 K(o=0.9,f=-5.3!) USER MOD Single : A 65 SER OG : rot 83:sc= 0.849 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.577 K(o=-0.58,f=-7!) USER MOD Single : A 81 ASN : amide:sc= 0.166 X(o=0.17,f=-0.061) USER MOD Single : A 84 CYS SG : rot 81:sc= 0.763 USER MOD Single : A 95 MET CE :methyl 167:sc= -0.223 (180deg=-0.448) USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.00858 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 160:sc= -0.257 USER MOD Single : A 106 LYS NZ :NH3+ 149:sc= 1.25 (180deg=-0.034) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.986 -0.112 14.857 1.00 13.21 N ATOM 2 CA SER A 1 -2.253 1.347 14.905 1.00 41.31 C ATOM 3 C SER A 1 -3.053 1.821 13.674 1.00 35.13 C ATOM 4 O SER A 1 -2.920 1.266 12.572 1.00 10.50 O ATOM 5 CB SER A 1 -0.923 2.120 15.016 1.00 23.41 C ATOM 6 OG SER A 1 -0.037 1.760 13.972 1.00 40.13 O ATOM 0 H1 SER A 1 -1.930 -0.487 15.826 1.00 13.21 H new ATOM 0 H2 SER A 1 -2.756 -0.589 14.345 1.00 13.21 H new ATOM 0 H3 SER A 1 -1.085 -0.284 14.366 1.00 13.21 H new ATOM 0 HA SER A 1 -2.862 1.550 15.786 1.00 41.31 H new ATOM 0 HB2 SER A 1 -1.117 3.192 14.979 1.00 23.41 H new ATOM 0 HB3 SER A 1 -0.458 1.913 15.980 1.00 23.41 H new ATOM 0 HG SER A 1 0.418 2.561 13.638 1.00 40.13 H new ATOM 14 N HIS A 2 -3.877 2.857 13.895 1.00 71.13 N ATOM 15 CA HIS A 2 -4.732 3.487 12.865 1.00 25.14 C ATOM 16 C HIS A 2 -5.070 4.933 13.321 1.00 12.13 C ATOM 17 O HIS A 2 -5.413 5.151 14.488 1.00 53.23 O ATOM 18 CB HIS A 2 -6.029 2.649 12.668 1.00 41.12 C ATOM 19 CG HIS A 2 -6.909 3.070 11.500 1.00 65.44 C ATOM 20 ND1 HIS A 2 -7.466 4.326 11.364 1.00 54.11 N ATOM 21 CD2 HIS A 2 -7.333 2.376 10.412 1.00 3.31 C ATOM 22 CE1 HIS A 2 -8.180 4.377 10.260 1.00 22.44 C ATOM 23 NE2 HIS A 2 -8.120 3.210 9.672 1.00 71.24 N ATOM 0 H HIS A 2 -3.973 3.293 14.812 1.00 71.13 H new ATOM 0 HA HIS A 2 -4.209 3.524 11.910 1.00 25.14 H new ATOM 0 HB2 HIS A 2 -5.749 1.605 12.531 1.00 41.12 H new ATOM 0 HB3 HIS A 2 -6.619 2.704 13.583 1.00 41.12 H new ATOM 0 HD1 HIS A 2 -7.343 5.097 12.020 1.00 54.11 H new ATOM 0 HD2 HIS A 2 -7.091 1.350 10.175 1.00 3.31 H new ATOM 0 HE1 HIS A 2 -8.724 5.238 9.900 1.00 22.44 H new ATOM 32 N MET A 3 -4.981 5.907 12.402 1.00 10.03 N ATOM 33 CA MET A 3 -5.227 7.343 12.707 1.00 11.42 C ATOM 34 C MET A 3 -6.626 7.771 12.187 1.00 13.14 C ATOM 35 O MET A 3 -7.159 7.135 11.275 1.00 4.13 O ATOM 36 CB MET A 3 -4.118 8.218 12.048 1.00 53.40 C ATOM 37 CG MET A 3 -2.683 7.839 12.444 1.00 62.43 C ATOM 38 SD MET A 3 -1.444 8.898 11.658 1.00 32.24 S ATOM 39 CE MET A 3 0.086 8.103 12.162 1.00 22.04 C ATOM 0 H MET A 3 -4.738 5.732 11.427 1.00 10.03 H new ATOM 0 HA MET A 3 -5.200 7.486 13.787 1.00 11.42 H new ATOM 0 HB2 MET A 3 -4.213 8.146 10.965 1.00 53.40 H new ATOM 0 HB3 MET A 3 -4.291 9.261 12.314 1.00 53.40 H new ATOM 0 HG2 MET A 3 -2.579 7.906 13.527 1.00 62.43 H new ATOM 0 HG3 MET A 3 -2.496 6.801 12.169 1.00 62.43 H new ATOM 0 HE1 MET A 3 0.933 8.650 11.749 1.00 22.04 H new ATOM 0 HE2 MET A 3 0.153 8.099 13.250 1.00 22.04 H new ATOM 0 HE3 MET A 3 0.102 7.077 11.793 1.00 22.04 H new ATOM 49 N PRO A 4 -7.268 8.834 12.767 1.00 24.20 N ATOM 50 CA PRO A 4 -8.496 9.424 12.178 1.00 71.22 C ATOM 51 C PRO A 4 -8.212 10.012 10.767 1.00 24.33 C ATOM 52 O PRO A 4 -7.659 11.116 10.644 1.00 45.10 O ATOM 53 CB PRO A 4 -8.917 10.510 13.211 1.00 72.12 C ATOM 54 CG PRO A 4 -7.661 10.811 13.983 1.00 62.12 C ATOM 55 CD PRO A 4 -6.896 9.505 14.042 1.00 1.02 C ATOM 0 HA PRO A 4 -9.290 8.696 12.014 1.00 71.22 H new ATOM 0 HB2 PRO A 4 -9.300 11.402 12.714 1.00 72.12 H new ATOM 0 HB3 PRO A 4 -9.708 10.147 13.867 1.00 72.12 H new ATOM 0 HG2 PRO A 4 -7.075 11.587 13.491 1.00 62.12 H new ATOM 0 HG3 PRO A 4 -7.894 11.174 14.984 1.00 62.12 H new ATOM 0 HD2 PRO A 4 -5.821 9.671 14.111 1.00 1.02 H new ATOM 0 HD3 PRO A 4 -7.183 8.909 14.909 1.00 1.02 H new ATOM 63 N VAL A 5 -8.545 9.224 9.712 1.00 32.20 N ATOM 64 CA VAL A 5 -8.248 9.580 8.301 1.00 75.33 C ATOM 65 C VAL A 5 -8.908 10.936 7.922 1.00 50.11 C ATOM 66 O VAL A 5 -10.142 11.044 7.967 1.00 23.42 O ATOM 67 CB VAL A 5 -8.724 8.465 7.287 1.00 20.43 C ATOM 68 CG1 VAL A 5 -8.352 8.819 5.821 1.00 52.11 C ATOM 69 CG2 VAL A 5 -8.161 7.079 7.678 1.00 75.32 C ATOM 0 H VAL A 5 -9.024 8.329 9.815 1.00 32.20 H new ATOM 0 HA VAL A 5 -7.164 9.666 8.225 1.00 75.33 H new ATOM 0 HB VAL A 5 -9.811 8.421 7.346 1.00 20.43 H new ATOM 0 HG11 VAL A 5 -8.697 8.027 5.157 1.00 52.11 H new ATOM 0 HG12 VAL A 5 -8.827 9.759 5.542 1.00 52.11 H new ATOM 0 HG13 VAL A 5 -7.270 8.920 5.734 1.00 52.11 H new ATOM 0 HG21 VAL A 5 -8.505 6.332 6.963 1.00 75.32 H new ATOM 0 HG22 VAL A 5 -7.072 7.114 7.671 1.00 75.32 H new ATOM 0 HG23 VAL A 5 -8.509 6.813 8.676 1.00 75.32 H new ATOM 79 N PRO A 6 -8.103 11.984 7.549 1.00 62.15 N ATOM 80 CA PRO A 6 -8.647 13.332 7.233 1.00 75.32 C ATOM 81 C PRO A 6 -9.593 13.343 5.996 1.00 42.44 C ATOM 82 O PRO A 6 -9.584 12.417 5.174 1.00 52.31 O ATOM 83 CB PRO A 6 -7.369 14.185 6.988 1.00 60.33 C ATOM 84 CG PRO A 6 -6.301 13.196 6.616 1.00 10.35 C ATOM 85 CD PRO A 6 -6.613 11.942 7.398 1.00 31.44 C ATOM 0 HA PRO A 6 -9.277 13.713 8.037 1.00 75.32 H new ATOM 0 HB2 PRO A 6 -7.527 14.912 6.191 1.00 60.33 H new ATOM 0 HB3 PRO A 6 -7.093 14.746 7.881 1.00 60.33 H new ATOM 0 HG2 PRO A 6 -6.306 13.000 5.544 1.00 10.35 H new ATOM 0 HG3 PRO A 6 -5.311 13.577 6.866 1.00 10.35 H new ATOM 0 HD2 PRO A 6 -6.289 11.047 6.867 1.00 31.44 H new ATOM 0 HD3 PRO A 6 -6.112 11.938 8.366 1.00 31.44 H new ATOM 93 N VAL A 7 -10.421 14.390 5.897 1.00 5.32 N ATOM 94 CA VAL A 7 -11.307 14.614 4.735 1.00 51.31 C ATOM 95 C VAL A 7 -10.516 15.197 3.538 1.00 55.41 C ATOM 96 O VAL A 7 -9.409 15.730 3.700 1.00 4.24 O ATOM 97 CB VAL A 7 -12.511 15.553 5.120 1.00 32.25 C ATOM 98 CG1 VAL A 7 -13.447 14.852 6.137 1.00 35.44 C ATOM 99 CG2 VAL A 7 -12.007 16.910 5.674 1.00 55.33 C ATOM 0 H VAL A 7 -10.500 15.109 6.617 1.00 5.32 H new ATOM 0 HA VAL A 7 -11.713 13.649 4.432 1.00 51.31 H new ATOM 0 HB VAL A 7 -13.083 15.757 4.215 1.00 32.25 H new ATOM 0 HG11 VAL A 7 -14.272 15.517 6.390 1.00 35.44 H new ATOM 0 HG12 VAL A 7 -13.841 13.936 5.697 1.00 35.44 H new ATOM 0 HG13 VAL A 7 -12.887 14.609 7.040 1.00 35.44 H new ATOM 0 HG21 VAL A 7 -12.860 17.537 5.931 1.00 55.33 H new ATOM 0 HG22 VAL A 7 -11.402 16.737 6.564 1.00 55.33 H new ATOM 0 HG23 VAL A 7 -11.404 17.411 4.917 1.00 55.33 H new ATOM 109 N THR A 8 -11.085 15.066 2.333 1.00 12.15 N ATOM 110 CA THR A 8 -10.433 15.499 1.086 1.00 70.31 C ATOM 111 C THR A 8 -10.517 17.037 0.901 1.00 72.43 C ATOM 112 O THR A 8 -11.596 17.590 0.654 1.00 44.23 O ATOM 113 CB THR A 8 -11.038 14.747 -0.145 1.00 2.32 C ATOM 114 OG1 THR A 8 -12.454 14.997 -0.233 1.00 54.14 O ATOM 115 CG2 THR A 8 -10.791 13.223 -0.052 1.00 72.50 C ATOM 0 H THR A 8 -12.009 14.658 2.193 1.00 12.15 H new ATOM 0 HA THR A 8 -9.377 15.240 1.157 1.00 70.31 H new ATOM 0 HB THR A 8 -10.541 15.124 -1.039 1.00 2.32 H new ATOM 0 HG1 THR A 8 -12.634 15.936 -0.018 1.00 54.14 H new ATOM 0 HG21 THR A 8 -11.224 12.730 -0.923 1.00 72.50 H new ATOM 0 HG22 THR A 8 -9.719 13.029 -0.021 1.00 72.50 H new ATOM 0 HG23 THR A 8 -11.256 12.834 0.854 1.00 72.50 H new ATOM 123 N CYS A 9 -9.365 17.718 1.084 1.00 32.30 N ATOM 124 CA CYS A 9 -9.246 19.184 0.890 1.00 0.50 C ATOM 125 C CYS A 9 -9.310 19.537 -0.614 1.00 5.31 C ATOM 126 O CYS A 9 -10.275 20.149 -1.083 1.00 50.42 O ATOM 127 CB CYS A 9 -7.926 19.698 1.505 1.00 64.02 C ATOM 128 SG CYS A 9 -7.778 21.497 1.540 1.00 11.22 S ATOM 0 H CYS A 9 -8.493 17.271 1.369 1.00 32.30 H new ATOM 0 HA CYS A 9 -10.081 19.670 1.395 1.00 0.50 H new ATOM 0 HB2 CYS A 9 -7.840 19.318 2.523 1.00 64.02 H new ATOM 0 HB3 CYS A 9 -7.090 19.287 0.939 1.00 64.02 H new ATOM 0 HG CYS A 9 -6.640 21.828 2.075 1.00 11.22 H new ATOM 134 N ASP A 10 -8.262 19.137 -1.352 1.00 54.34 N ATOM 135 CA ASP A 10 -8.261 19.130 -2.828 1.00 1.21 C ATOM 136 C ASP A 10 -8.367 17.659 -3.309 1.00 5.25 C ATOM 137 O ASP A 10 -8.121 16.721 -2.531 1.00 53.32 O ATOM 138 CB ASP A 10 -6.964 19.814 -3.366 1.00 63.01 C ATOM 139 CG ASP A 10 -7.045 20.195 -4.864 1.00 72.12 C ATOM 140 OD1 ASP A 10 -6.825 19.323 -5.734 1.00 10.24 O ATOM 141 OD2 ASP A 10 -7.336 21.371 -5.182 1.00 24.51 O ATOM 0 H ASP A 10 -7.388 18.808 -0.943 1.00 54.34 H new ATOM 0 HA ASP A 10 -9.110 19.694 -3.213 1.00 1.21 H new ATOM 0 HB2 ASP A 10 -6.766 20.712 -2.781 1.00 63.01 H new ATOM 0 HB3 ASP A 10 -6.119 19.143 -3.215 1.00 63.01 H new ATOM 146 N ALA A 11 -8.703 17.461 -4.594 1.00 54.35 N ATOM 147 CA ALA A 11 -8.836 16.119 -5.197 1.00 54.14 C ATOM 148 C ALA A 11 -7.478 15.392 -5.389 1.00 31.20 C ATOM 149 O ALA A 11 -7.459 14.281 -5.907 1.00 12.32 O ATOM 150 CB ALA A 11 -9.591 16.229 -6.531 1.00 51.13 C ATOM 0 H ALA A 11 -8.890 18.223 -5.245 1.00 54.35 H new ATOM 0 HA ALA A 11 -9.404 15.506 -4.497 1.00 54.14 H new ATOM 0 HB1 ALA A 11 -9.689 15.239 -6.976 1.00 51.13 H new ATOM 0 HB2 ALA A 11 -10.582 16.648 -6.355 1.00 51.13 H new ATOM 0 HB3 ALA A 11 -9.038 16.879 -7.210 1.00 51.13 H new ATOM 156 N VAL A 12 -6.354 16.024 -4.967 1.00 70.11 N ATOM 157 CA VAL A 12 -5.001 15.396 -4.974 1.00 54.23 C ATOM 158 C VAL A 12 -4.953 14.096 -4.122 1.00 23.24 C ATOM 159 O VAL A 12 -4.598 13.026 -4.618 1.00 70.41 O ATOM 160 CB VAL A 12 -3.905 16.393 -4.428 1.00 63.24 C ATOM 161 CG1 VAL A 12 -2.490 15.754 -4.450 1.00 22.22 C ATOM 162 CG2 VAL A 12 -3.922 17.723 -5.215 1.00 14.14 C ATOM 0 H VAL A 12 -6.356 16.980 -4.613 1.00 70.11 H new ATOM 0 HA VAL A 12 -4.790 15.146 -6.014 1.00 54.23 H new ATOM 0 HB VAL A 12 -4.152 16.611 -3.389 1.00 63.24 H new ATOM 0 HG11 VAL A 12 -1.762 16.469 -4.067 1.00 22.22 H new ATOM 0 HG12 VAL A 12 -2.484 14.861 -3.825 1.00 22.22 H new ATOM 0 HG13 VAL A 12 -2.229 15.483 -5.473 1.00 22.22 H new ATOM 0 HG21 VAL A 12 -3.157 18.391 -4.818 1.00 14.14 H new ATOM 0 HG22 VAL A 12 -3.720 17.525 -6.268 1.00 14.14 H new ATOM 0 HG23 VAL A 12 -4.901 18.192 -5.115 1.00 14.14 H new ATOM 172 N ARG A 13 -5.302 14.227 -2.828 1.00 15.43 N ATOM 173 CA ARG A 13 -5.301 13.096 -1.859 1.00 12.22 C ATOM 174 C ARG A 13 -6.402 12.054 -2.182 1.00 11.14 C ATOM 175 O ARG A 13 -6.223 10.856 -1.941 1.00 31.43 O ATOM 176 CB ARG A 13 -5.438 13.632 -0.408 1.00 51.01 C ATOM 177 CG ARG A 13 -6.580 14.654 -0.196 1.00 61.43 C ATOM 178 CD ARG A 13 -6.707 15.125 1.268 1.00 14.02 C ATOM 179 NE ARG A 13 -7.371 14.124 2.125 1.00 33.21 N ATOM 180 CZ ARG A 13 -6.777 13.209 2.855 1.00 64.40 C ATOM 181 NH1 ARG A 13 -5.487 13.124 2.936 1.00 41.14 N ATOM 182 NH2 ARG A 13 -7.488 12.382 3.528 1.00 31.34 N ATOM 0 H ARG A 13 -5.593 15.114 -2.418 1.00 15.43 H new ATOM 0 HA ARG A 13 -4.346 12.579 -1.949 1.00 12.22 H new ATOM 0 HB2 ARG A 13 -5.597 12.787 0.262 1.00 51.01 H new ATOM 0 HB3 ARG A 13 -4.496 14.097 -0.117 1.00 51.01 H new ATOM 0 HG2 ARG A 13 -6.409 15.519 -0.836 1.00 61.43 H new ATOM 0 HG3 ARG A 13 -7.523 14.207 -0.511 1.00 61.43 H new ATOM 0 HD2 ARG A 13 -5.715 15.339 1.665 1.00 14.02 H new ATOM 0 HD3 ARG A 13 -7.271 16.057 1.299 1.00 14.02 H new ATOM 0 HE ARG A 13 -8.390 14.145 2.153 1.00 33.21 H new ATOM 0 HH11 ARG A 13 -4.899 13.781 2.423 1.00 41.14 H new ATOM 0 HH12 ARG A 13 -5.059 12.400 3.513 1.00 41.14 H new ATOM 0 HH21 ARG A 13 -8.506 12.439 3.493 1.00 31.34 H new ATOM 0 HH22 ARG A 13 -7.036 11.667 4.098 1.00 31.34 H new ATOM 196 N ASN A 14 -7.525 12.522 -2.758 1.00 1.14 N ATOM 197 CA ASN A 14 -8.608 11.641 -3.247 1.00 24.44 C ATOM 198 C ASN A 14 -8.089 10.781 -4.429 1.00 51.43 C ATOM 199 O ASN A 14 -8.309 9.577 -4.471 1.00 75.00 O ATOM 200 CB ASN A 14 -9.834 12.508 -3.651 1.00 32.45 C ATOM 201 CG ASN A 14 -11.124 11.709 -3.915 1.00 1.45 C ATOM 202 OD1 ASN A 14 -11.113 10.637 -4.505 1.00 11.01 O ATOM 203 ND2 ASN A 14 -12.252 12.218 -3.456 1.00 14.34 N ATOM 0 H ASN A 14 -7.709 13.515 -2.898 1.00 1.14 H new ATOM 0 HA ASN A 14 -8.925 10.958 -2.459 1.00 24.44 H new ATOM 0 HB2 ASN A 14 -10.026 13.233 -2.860 1.00 32.45 H new ATOM 0 HB3 ASN A 14 -9.583 13.074 -4.548 1.00 32.45 H new ATOM 0 HD21 ASN A 14 -13.130 11.717 -3.591 1.00 14.34 H new ATOM 0 HD22 ASN A 14 -12.246 13.113 -2.966 1.00 14.34 H new ATOM 210 N LYS A 15 -7.356 11.428 -5.348 1.00 5.20 N ATOM 211 CA LYS A 15 -6.689 10.763 -6.494 1.00 5.24 C ATOM 212 C LYS A 15 -5.595 9.772 -6.016 1.00 35.15 C ATOM 213 O LYS A 15 -5.419 8.709 -6.606 1.00 33.40 O ATOM 214 CB LYS A 15 -6.071 11.855 -7.408 1.00 44.31 C ATOM 215 CG LYS A 15 -5.417 11.371 -8.720 1.00 53.35 C ATOM 216 CD LYS A 15 -6.423 10.719 -9.695 1.00 22.21 C ATOM 217 CE LYS A 15 -5.815 10.476 -11.088 1.00 11.14 C ATOM 218 NZ LYS A 15 -4.611 9.604 -11.048 1.00 32.41 N ATOM 0 H LYS A 15 -7.204 12.436 -5.322 1.00 5.20 H new ATOM 0 HA LYS A 15 -7.427 10.184 -7.049 1.00 5.24 H new ATOM 0 HB2 LYS A 15 -6.854 12.570 -7.661 1.00 44.31 H new ATOM 0 HB3 LYS A 15 -5.320 12.396 -6.832 1.00 44.31 H new ATOM 0 HG2 LYS A 15 -4.938 12.217 -9.214 1.00 53.35 H new ATOM 0 HG3 LYS A 15 -4.632 10.653 -8.484 1.00 53.35 H new ATOM 0 HD2 LYS A 15 -6.765 9.771 -9.280 1.00 22.21 H new ATOM 0 HD3 LYS A 15 -7.300 11.360 -9.791 1.00 22.21 H new ATOM 0 HE2 LYS A 15 -6.567 10.020 -11.733 1.00 11.14 H new ATOM 0 HE3 LYS A 15 -5.549 11.434 -11.535 1.00 11.14 H new ATOM 0 HZ1 LYS A 15 -3.844 10.046 -11.594 1.00 32.41 H new ATOM 0 HZ2 LYS A 15 -4.306 9.478 -10.062 1.00 32.41 H new ATOM 0 HZ3 LYS A 15 -4.840 8.677 -11.460 1.00 32.41 H new ATOM 232 N CYS A 16 -4.886 10.142 -4.928 1.00 50.12 N ATOM 233 CA CYS A 16 -3.813 9.313 -4.327 1.00 3.54 C ATOM 234 C CYS A 16 -4.339 7.942 -3.864 1.00 42.22 C ATOM 235 O CYS A 16 -3.804 6.905 -4.270 1.00 63.11 O ATOM 236 CB CYS A 16 -3.154 10.040 -3.138 1.00 14.35 C ATOM 237 SG CYS A 16 -1.901 9.059 -2.274 1.00 22.41 S ATOM 0 H CYS A 16 -5.040 11.024 -4.440 1.00 50.12 H new ATOM 0 HA CYS A 16 -3.068 9.149 -5.106 1.00 3.54 H new ATOM 0 HB2 CYS A 16 -2.695 10.960 -3.498 1.00 14.35 H new ATOM 0 HB3 CYS A 16 -3.929 10.327 -2.427 1.00 14.35 H new ATOM 0 HG CYS A 16 -1.712 9.548 -1.084 1.00 22.41 H new ATOM 243 N ARG A 17 -5.407 7.947 -3.034 1.00 4.11 N ATOM 244 CA ARG A 17 -6.027 6.700 -2.534 1.00 71.50 C ATOM 245 C ARG A 17 -6.659 5.877 -3.693 1.00 63.21 C ATOM 246 O ARG A 17 -6.666 4.652 -3.635 1.00 2.13 O ATOM 247 CB ARG A 17 -7.072 6.977 -1.408 1.00 72.11 C ATOM 248 CG ARG A 17 -8.312 7.783 -1.845 1.00 14.23 C ATOM 249 CD ARG A 17 -9.382 7.904 -0.745 1.00 14.41 C ATOM 250 NE ARG A 17 -8.916 8.650 0.438 1.00 13.21 N ATOM 251 CZ ARG A 17 -9.667 8.966 1.479 1.00 5.44 C ATOM 252 NH1 ARG A 17 -10.925 8.665 1.521 1.00 22.34 N ATOM 253 NH2 ARG A 17 -9.150 9.597 2.474 1.00 11.35 N ATOM 0 H ARG A 17 -5.856 8.799 -2.697 1.00 4.11 H new ATOM 0 HA ARG A 17 -5.228 6.103 -2.094 1.00 71.50 H new ATOM 0 HB2 ARG A 17 -7.404 6.022 -1.000 1.00 72.11 H new ATOM 0 HB3 ARG A 17 -6.577 7.514 -0.599 1.00 72.11 H new ATOM 0 HG2 ARG A 17 -7.998 8.782 -2.148 1.00 14.23 H new ATOM 0 HG3 ARG A 17 -8.754 7.309 -2.721 1.00 14.23 H new ATOM 0 HD2 ARG A 17 -10.262 8.399 -1.156 1.00 14.41 H new ATOM 0 HD3 ARG A 17 -9.693 6.905 -0.438 1.00 14.41 H new ATOM 0 HE ARG A 17 -7.940 8.945 0.455 1.00 13.21 H new ATOM 0 HH11 ARG A 17 -11.358 8.173 0.739 1.00 22.34 H new ATOM 0 HH12 ARG A 17 -11.483 8.920 2.336 1.00 22.34 H new ATOM 0 HH21 ARG A 17 -8.163 9.852 2.458 1.00 11.35 H new ATOM 0 HH22 ARG A 17 -9.728 9.842 3.278 1.00 11.35 H new ATOM 267 N GLU A 18 -7.166 6.559 -4.754 1.00 53.43 N ATOM 268 CA GLU A 18 -7.665 5.880 -5.990 1.00 21.25 C ATOM 269 C GLU A 18 -6.534 5.112 -6.726 1.00 61.02 C ATOM 270 O GLU A 18 -6.747 3.999 -7.219 1.00 65.04 O ATOM 271 CB GLU A 18 -8.314 6.897 -6.971 1.00 31.41 C ATOM 272 CG GLU A 18 -9.612 7.568 -6.479 1.00 50.40 C ATOM 273 CD GLU A 18 -10.770 6.586 -6.224 1.00 51.23 C ATOM 274 OE1 GLU A 18 -11.391 6.111 -7.199 1.00 23.40 O ATOM 275 OE2 GLU A 18 -11.073 6.289 -5.050 1.00 73.45 O ATOM 0 H GLU A 18 -7.242 7.576 -4.783 1.00 53.43 H new ATOM 0 HA GLU A 18 -8.419 5.163 -5.664 1.00 21.25 H new ATOM 0 HB2 GLU A 18 -7.585 7.677 -7.191 1.00 31.41 H new ATOM 0 HB3 GLU A 18 -8.525 6.384 -7.909 1.00 31.41 H new ATOM 0 HG2 GLU A 18 -9.401 8.111 -5.558 1.00 50.40 H new ATOM 0 HG3 GLU A 18 -9.930 8.304 -7.217 1.00 50.40 H new ATOM 282 N MET A 19 -5.336 5.726 -6.796 1.00 3.00 N ATOM 283 CA MET A 19 -4.155 5.128 -7.467 1.00 4.22 C ATOM 284 C MET A 19 -3.563 3.953 -6.647 1.00 12.12 C ATOM 285 O MET A 19 -3.139 2.937 -7.213 1.00 72.20 O ATOM 286 CB MET A 19 -3.079 6.217 -7.745 1.00 41.31 C ATOM 287 CG MET A 19 -3.519 7.300 -8.750 1.00 72.05 C ATOM 288 SD MET A 19 -2.220 8.492 -9.171 1.00 24.52 S ATOM 289 CE MET A 19 -1.902 9.292 -7.597 1.00 52.10 C ATOM 0 H MET A 19 -5.156 6.645 -6.393 1.00 3.00 H new ATOM 0 HA MET A 19 -4.485 4.718 -8.421 1.00 4.22 H new ATOM 0 HB2 MET A 19 -2.813 6.698 -6.803 1.00 41.31 H new ATOM 0 HB3 MET A 19 -2.178 5.733 -8.121 1.00 41.31 H new ATOM 0 HG2 MET A 19 -3.861 6.815 -9.664 1.00 72.05 H new ATOM 0 HG3 MET A 19 -4.371 7.839 -8.337 1.00 72.05 H new ATOM 0 HE1 MET A 19 -0.972 9.857 -7.657 1.00 52.10 H new ATOM 0 HE2 MET A 19 -2.723 9.969 -7.361 1.00 52.10 H new ATOM 0 HE3 MET A 19 -1.818 8.537 -6.815 1.00 52.10 H new ATOM 299 N LEU A 20 -3.557 4.093 -5.311 1.00 30.24 N ATOM 300 CA LEU A 20 -3.111 3.015 -4.393 1.00 14.34 C ATOM 301 C LEU A 20 -4.088 1.812 -4.434 1.00 3.34 C ATOM 302 O LEU A 20 -3.658 0.656 -4.475 1.00 55.34 O ATOM 303 CB LEU A 20 -2.968 3.567 -2.952 1.00 12.31 C ATOM 304 CG LEU A 20 -1.871 4.669 -2.750 1.00 60.45 C ATOM 305 CD1 LEU A 20 -1.934 5.274 -1.326 1.00 23.22 C ATOM 306 CD2 LEU A 20 -0.452 4.118 -3.068 1.00 33.22 C ATOM 0 H LEU A 20 -3.856 4.944 -4.835 1.00 30.24 H new ATOM 0 HA LEU A 20 -2.136 2.659 -4.725 1.00 14.34 H new ATOM 0 HB2 LEU A 20 -3.929 3.977 -2.643 1.00 12.31 H new ATOM 0 HB3 LEU A 20 -2.747 2.734 -2.284 1.00 12.31 H new ATOM 0 HG LEU A 20 -2.079 5.472 -3.457 1.00 60.45 H new ATOM 0 HD11 LEU A 20 -1.160 6.034 -1.219 1.00 23.22 H new ATOM 0 HD12 LEU A 20 -2.913 5.727 -1.166 1.00 23.22 H new ATOM 0 HD13 LEU A 20 -1.773 4.487 -0.589 1.00 23.22 H new ATOM 0 HD21 LEU A 20 0.286 4.906 -2.919 1.00 33.22 H new ATOM 0 HD22 LEU A 20 -0.229 3.282 -2.405 1.00 33.22 H new ATOM 0 HD23 LEU A 20 -0.417 3.780 -4.104 1.00 33.22 H new ATOM 318 N THR A 21 -5.405 2.112 -4.462 1.00 31.03 N ATOM 319 CA THR A 21 -6.472 1.089 -4.624 1.00 65.43 C ATOM 320 C THR A 21 -6.392 0.417 -6.012 1.00 61.10 C ATOM 321 O THR A 21 -6.717 -0.754 -6.137 1.00 4.15 O ATOM 322 CB THR A 21 -7.912 1.690 -4.411 1.00 51.43 C ATOM 323 OG1 THR A 21 -8.029 2.194 -3.082 1.00 71.03 O ATOM 324 CG2 THR A 21 -9.053 0.673 -4.636 1.00 23.04 C ATOM 0 H THR A 21 -5.761 3.064 -4.374 1.00 31.03 H new ATOM 0 HA THR A 21 -6.301 0.340 -3.851 1.00 65.43 H new ATOM 0 HB THR A 21 -8.020 2.477 -5.157 1.00 51.43 H new ATOM 0 HG1 THR A 21 -8.028 1.447 -2.448 1.00 71.03 H new ATOM 0 HG21 THR A 21 -10.013 1.161 -4.471 1.00 23.04 H new ATOM 0 HG22 THR A 21 -9.008 0.296 -5.658 1.00 23.04 H new ATOM 0 HG23 THR A 21 -8.943 -0.157 -3.938 1.00 23.04 H new ATOM 332 N ALA A 22 -5.941 1.166 -7.043 1.00 25.32 N ATOM 333 CA ALA A 22 -5.718 0.622 -8.411 1.00 71.22 C ATOM 334 C ALA A 22 -4.688 -0.538 -8.404 1.00 20.42 C ATOM 335 O ALA A 22 -4.846 -1.537 -9.117 1.00 33.31 O ATOM 336 CB ALA A 22 -5.282 1.741 -9.369 1.00 21.33 C ATOM 0 H ALA A 22 -5.721 2.158 -6.957 1.00 25.32 H new ATOM 0 HA ALA A 22 -6.664 0.212 -8.766 1.00 71.22 H new ATOM 0 HB1 ALA A 22 -5.123 1.326 -10.364 1.00 21.33 H new ATOM 0 HB2 ALA A 22 -6.058 2.505 -9.414 1.00 21.33 H new ATOM 0 HB3 ALA A 22 -4.355 2.187 -9.010 1.00 21.33 H new ATOM 342 N ALA A 23 -3.655 -0.397 -7.557 1.00 34.43 N ATOM 343 CA ALA A 23 -2.642 -1.450 -7.317 1.00 1.30 C ATOM 344 C ALA A 23 -3.212 -2.628 -6.483 1.00 74.21 C ATOM 345 O ALA A 23 -2.781 -3.777 -6.633 1.00 25.05 O ATOM 346 CB ALA A 23 -1.435 -0.839 -6.602 1.00 70.24 C ATOM 0 H ALA A 23 -3.494 0.452 -7.015 1.00 34.43 H new ATOM 0 HA ALA A 23 -2.341 -1.853 -8.284 1.00 1.30 H new ATOM 0 HB1 ALA A 23 -0.688 -1.612 -6.424 1.00 70.24 H new ATOM 0 HB2 ALA A 23 -1.004 -0.053 -7.223 1.00 70.24 H new ATOM 0 HB3 ALA A 23 -1.753 -0.415 -5.649 1.00 70.24 H new ATOM 352 N LEU A 24 -4.173 -2.318 -5.595 1.00 74.34 N ATOM 353 CA LEU A 24 -4.854 -3.328 -4.745 1.00 41.52 C ATOM 354 C LEU A 24 -6.014 -4.050 -5.501 1.00 50.32 C ATOM 355 O LEU A 24 -6.450 -5.138 -5.092 1.00 42.35 O ATOM 356 CB LEU A 24 -5.405 -2.645 -3.459 1.00 34.32 C ATOM 357 CG LEU A 24 -4.366 -1.881 -2.568 1.00 41.11 C ATOM 358 CD1 LEU A 24 -5.056 -1.158 -1.384 1.00 35.03 C ATOM 359 CD2 LEU A 24 -3.245 -2.819 -2.065 1.00 25.33 C ATOM 0 H LEU A 24 -4.503 -1.365 -5.442 1.00 74.34 H new ATOM 0 HA LEU A 24 -4.117 -4.086 -4.479 1.00 41.52 H new ATOM 0 HB2 LEU A 24 -6.183 -1.941 -3.754 1.00 34.32 H new ATOM 0 HB3 LEU A 24 -5.883 -3.409 -2.846 1.00 34.32 H new ATOM 0 HG LEU A 24 -3.903 -1.122 -3.198 1.00 41.11 H new ATOM 0 HD11 LEU A 24 -4.306 -0.639 -0.788 1.00 35.03 H new ATOM 0 HD12 LEU A 24 -5.777 -0.436 -1.769 1.00 35.03 H new ATOM 0 HD13 LEU A 24 -5.572 -1.889 -0.762 1.00 35.03 H new ATOM 0 HD21 LEU A 24 -2.545 -2.253 -1.451 1.00 25.33 H new ATOM 0 HD22 LEU A 24 -3.682 -3.622 -1.471 1.00 25.33 H new ATOM 0 HD23 LEU A 24 -2.717 -3.245 -2.918 1.00 25.33 H new ATOM 371 N GLN A 25 -6.511 -3.432 -6.599 1.00 74.52 N ATOM 372 CA GLN A 25 -7.677 -3.952 -7.384 1.00 60.14 C ATOM 373 C GLN A 25 -7.261 -4.490 -8.778 1.00 71.23 C ATOM 374 O GLN A 25 -8.111 -5.019 -9.502 1.00 42.54 O ATOM 375 CB GLN A 25 -8.787 -2.858 -7.543 1.00 32.32 C ATOM 376 CG GLN A 25 -8.500 -1.786 -8.620 1.00 32.05 C ATOM 377 CD GLN A 25 -9.565 -0.685 -8.694 1.00 15.11 C ATOM 378 OE1 GLN A 25 -9.372 0.396 -7.971 1.00 22.04 O flip ATOM 379 NE2 GLN A 25 -10.546 -0.800 -9.417 1.00 32.11 N flip ATOM 0 H GLN A 25 -6.124 -2.564 -6.971 1.00 74.52 H new ATOM 0 HA GLN A 25 -8.081 -4.788 -6.814 1.00 60.14 H new ATOM 0 HB2 GLN A 25 -9.729 -3.350 -7.784 1.00 32.32 H new ATOM 0 HB3 GLN A 25 -8.924 -2.359 -6.583 1.00 32.32 H new ATOM 0 HG2 GLN A 25 -7.532 -1.329 -8.416 1.00 32.05 H new ATOM 0 HG3 GLN A 25 -8.425 -2.272 -9.593 1.00 32.05 H new ATOM 0 HE21 GLN A 25 -10.676 -1.648 -9.969 1.00 32.11 H new ATOM 0 HE22 GLN A 25 -11.234 -0.048 -9.467 1.00 32.11 H new ATOM 388 N THR A 26 -5.959 -4.352 -9.149 1.00 14.53 N ATOM 389 CA THR A 26 -5.424 -4.862 -10.450 1.00 32.30 C ATOM 390 C THR A 26 -5.680 -6.386 -10.609 1.00 62.20 C ATOM 391 O THR A 26 -5.892 -6.895 -11.712 1.00 52.33 O ATOM 392 CB THR A 26 -3.895 -4.539 -10.631 1.00 2.42 C ATOM 393 OG1 THR A 26 -3.445 -4.959 -11.933 1.00 23.21 O ATOM 394 CG2 THR A 26 -3.011 -5.197 -9.553 1.00 44.35 C ATOM 0 H THR A 26 -5.258 -3.892 -8.568 1.00 14.53 H new ATOM 0 HA THR A 26 -5.966 -4.337 -11.237 1.00 32.30 H new ATOM 0 HB THR A 26 -3.794 -3.459 -10.526 1.00 2.42 H new ATOM 0 HG1 THR A 26 -2.493 -4.751 -12.033 1.00 23.21 H new ATOM 0 HG21 THR A 26 -1.967 -4.938 -9.731 1.00 44.35 H new ATOM 0 HG22 THR A 26 -3.311 -4.839 -8.568 1.00 44.35 H new ATOM 0 HG23 THR A 26 -3.129 -6.280 -9.597 1.00 44.35 H new ATOM 402 N ASP A 27 -5.645 -7.099 -9.472 1.00 54.13 N ATOM 403 CA ASP A 27 -6.195 -8.463 -9.323 1.00 32.01 C ATOM 404 C ASP A 27 -7.407 -8.410 -8.364 1.00 13.42 C ATOM 405 O ASP A 27 -7.527 -7.478 -7.549 1.00 32.44 O ATOM 406 CB ASP A 27 -5.117 -9.428 -8.753 1.00 3.03 C ATOM 407 CG ASP A 27 -3.864 -9.519 -9.639 1.00 5.40 C ATOM 408 OD1 ASP A 27 -2.940 -8.685 -9.473 1.00 25.35 O ATOM 409 OD2 ASP A 27 -3.802 -10.403 -10.520 1.00 2.15 O ATOM 0 H ASP A 27 -5.227 -6.741 -8.613 1.00 54.13 H new ATOM 0 HA ASP A 27 -6.505 -8.834 -10.300 1.00 32.01 H new ATOM 0 HB2 ASP A 27 -4.827 -9.093 -7.757 1.00 3.03 H new ATOM 0 HB3 ASP A 27 -5.550 -10.422 -8.642 1.00 3.03 H new ATOM 414 N HIS A 28 -8.282 -9.431 -8.418 1.00 51.30 N ATOM 415 CA HIS A 28 -9.408 -9.585 -7.455 1.00 3.25 C ATOM 416 C HIS A 28 -8.908 -10.250 -6.135 1.00 43.43 C ATOM 417 O HIS A 28 -9.583 -11.103 -5.548 1.00 1.01 O ATOM 418 CB HIS A 28 -10.562 -10.401 -8.113 1.00 53.01 C ATOM 419 CG HIS A 28 -11.263 -9.707 -9.266 1.00 41.51 C ATOM 420 ND1 HIS A 28 -12.362 -10.244 -9.899 1.00 61.11 N ATOM 421 CD2 HIS A 28 -11.032 -8.519 -9.887 1.00 3.14 C ATOM 422 CE1 HIS A 28 -12.775 -9.427 -10.844 1.00 74.42 C ATOM 423 NE2 HIS A 28 -11.989 -8.376 -10.857 1.00 71.34 N ATOM 0 H HIS A 28 -8.237 -10.170 -9.120 1.00 51.30 H new ATOM 0 HA HIS A 28 -9.799 -8.601 -7.196 1.00 3.25 H new ATOM 0 HB2 HIS A 28 -10.159 -11.348 -8.470 1.00 53.01 H new ATOM 0 HB3 HIS A 28 -11.301 -10.638 -7.348 1.00 53.01 H new ATOM 0 HD2 HIS A 28 -10.242 -7.819 -9.658 1.00 3.14 H new ATOM 0 HE1 HIS A 28 -13.618 -9.593 -11.498 1.00 74.42 H new ATOM 0 HE2 HIS A 28 -12.077 -7.580 -11.488 1.00 71.34 H new ATOM 432 N ASP A 29 -7.741 -9.770 -5.655 1.00 75.42 N ATOM 433 CA ASP A 29 -7.013 -10.323 -4.506 1.00 14.45 C ATOM 434 C ASP A 29 -7.744 -9.991 -3.189 1.00 61.32 C ATOM 435 O ASP A 29 -8.020 -10.877 -2.384 1.00 34.35 O ATOM 436 CB ASP A 29 -5.564 -9.759 -4.517 1.00 20.12 C ATOM 437 CG ASP A 29 -4.621 -10.389 -3.479 1.00 75.21 C ATOM 438 OD1 ASP A 29 -4.811 -11.571 -3.128 1.00 34.33 O ATOM 439 OD2 ASP A 29 -3.672 -9.707 -3.037 1.00 2.54 O ATOM 0 H ASP A 29 -7.271 -8.966 -6.071 1.00 75.42 H new ATOM 0 HA ASP A 29 -6.970 -11.410 -4.579 1.00 14.45 H new ATOM 0 HB2 ASP A 29 -5.139 -9.906 -5.510 1.00 20.12 H new ATOM 0 HB3 ASP A 29 -5.606 -8.684 -4.344 1.00 20.12 H new ATOM 444 N HIS A 30 -8.073 -8.695 -3.011 1.00 13.41 N ATOM 445 CA HIS A 30 -8.869 -8.215 -1.856 1.00 41.30 C ATOM 446 C HIS A 30 -10.280 -8.860 -1.808 1.00 62.51 C ATOM 447 O HIS A 30 -10.868 -8.969 -0.743 1.00 53.23 O ATOM 448 CB HIS A 30 -8.980 -6.669 -1.892 1.00 43.33 C ATOM 449 CG HIS A 30 -9.726 -6.125 -3.078 1.00 35.13 C ATOM 450 ND1 HIS A 30 -9.160 -6.006 -4.326 1.00 2.43 N ATOM 451 CD2 HIS A 30 -11.004 -5.692 -3.208 1.00 63.41 C ATOM 452 CE1 HIS A 30 -10.052 -5.528 -5.161 1.00 4.51 C ATOM 453 NE2 HIS A 30 -11.176 -5.328 -4.513 1.00 21.45 N ATOM 0 H HIS A 30 -7.798 -7.955 -3.657 1.00 13.41 H new ATOM 0 HA HIS A 30 -8.347 -8.518 -0.949 1.00 41.30 H new ATOM 0 HB2 HIS A 30 -9.475 -6.332 -0.981 1.00 43.33 H new ATOM 0 HB3 HIS A 30 -7.976 -6.245 -1.885 1.00 43.33 H new ATOM 0 HD1 HIS A 30 -8.199 -6.251 -4.565 1.00 2.43 H new ATOM 0 HD2 HIS A 30 -11.747 -5.644 -2.426 1.00 63.41 H new ATOM 0 HE1 HIS A 30 -9.888 -5.331 -6.210 1.00 4.51 H new ATOM 462 N VAL A 31 -10.807 -9.273 -2.982 1.00 60.54 N ATOM 463 CA VAL A 31 -12.117 -9.959 -3.088 1.00 11.40 C ATOM 464 C VAL A 31 -12.008 -11.412 -2.549 1.00 44.33 C ATOM 465 O VAL A 31 -12.888 -11.883 -1.822 1.00 23.31 O ATOM 466 CB VAL A 31 -12.633 -9.960 -4.576 1.00 43.14 C ATOM 467 CG1 VAL A 31 -14.023 -10.625 -4.707 1.00 23.43 C ATOM 468 CG2 VAL A 31 -12.647 -8.521 -5.148 1.00 43.32 C ATOM 0 H VAL A 31 -10.340 -9.142 -3.879 1.00 60.54 H new ATOM 0 HA VAL A 31 -12.839 -9.413 -2.481 1.00 11.40 H new ATOM 0 HB VAL A 31 -11.938 -10.559 -5.164 1.00 43.14 H new ATOM 0 HG11 VAL A 31 -14.340 -10.604 -5.750 1.00 23.43 H new ATOM 0 HG12 VAL A 31 -13.965 -11.659 -4.367 1.00 23.43 H new ATOM 0 HG13 VAL A 31 -14.745 -10.082 -4.097 1.00 23.43 H new ATOM 0 HG21 VAL A 31 -13.006 -8.542 -6.177 1.00 43.32 H new ATOM 0 HG22 VAL A 31 -13.307 -7.896 -4.546 1.00 43.32 H new ATOM 0 HG23 VAL A 31 -11.638 -8.110 -5.125 1.00 43.32 H new ATOM 478 N ALA A 32 -10.898 -12.085 -2.905 1.00 73.32 N ATOM 479 CA ALA A 32 -10.550 -13.434 -2.386 1.00 20.24 C ATOM 480 C ALA A 32 -10.300 -13.418 -0.855 1.00 44.13 C ATOM 481 O ALA A 32 -10.597 -14.387 -0.151 1.00 72.30 O ATOM 482 CB ALA A 32 -9.305 -13.961 -3.122 1.00 21.52 C ATOM 0 H ALA A 32 -10.212 -11.713 -3.562 1.00 73.32 H new ATOM 0 HA ALA A 32 -11.396 -14.096 -2.570 1.00 20.24 H new ATOM 0 HB1 ALA A 32 -9.049 -14.950 -2.742 1.00 21.52 H new ATOM 0 HB2 ALA A 32 -9.514 -14.025 -4.190 1.00 21.52 H new ATOM 0 HB3 ALA A 32 -8.469 -13.281 -2.956 1.00 21.52 H new ATOM 488 N ILE A 33 -9.738 -12.299 -0.373 1.00 64.23 N ATOM 489 CA ILE A 33 -9.421 -12.066 1.058 1.00 74.41 C ATOM 490 C ILE A 33 -10.658 -11.523 1.841 1.00 50.21 C ATOM 491 O ILE A 33 -10.753 -11.683 3.064 1.00 43.41 O ATOM 492 CB ILE A 33 -8.182 -11.082 1.149 1.00 63.11 C ATOM 493 CG1 ILE A 33 -6.919 -11.766 0.506 1.00 64.14 C ATOM 494 CG2 ILE A 33 -7.884 -10.605 2.594 1.00 2.32 C ATOM 495 CD1 ILE A 33 -5.685 -10.888 0.381 1.00 42.30 C ATOM 0 H ILE A 33 -9.484 -11.513 -0.971 1.00 64.23 H new ATOM 0 HA ILE A 33 -9.160 -13.013 1.531 1.00 74.41 H new ATOM 0 HB ILE A 33 -8.438 -10.183 0.589 1.00 63.11 H new ATOM 0 HG12 ILE A 33 -6.660 -12.642 1.102 1.00 64.14 H new ATOM 0 HG13 ILE A 33 -7.189 -12.125 -0.487 1.00 64.14 H new ATOM 0 HG21 ILE A 33 -7.025 -9.935 2.586 1.00 2.32 H new ATOM 0 HG22 ILE A 33 -8.752 -10.077 2.989 1.00 2.32 H new ATOM 0 HG23 ILE A 33 -7.666 -11.467 3.224 1.00 2.32 H new ATOM 0 HD11 ILE A 33 -4.876 -11.460 -0.074 1.00 42.30 H new ATOM 0 HD12 ILE A 33 -5.915 -10.024 -0.243 1.00 42.30 H new ATOM 0 HD13 ILE A 33 -5.378 -10.549 1.370 1.00 42.30 H new ATOM 507 N GLY A 34 -11.617 -10.914 1.116 1.00 4.21 N ATOM 508 CA GLY A 34 -12.840 -10.358 1.720 1.00 2.13 C ATOM 509 C GLY A 34 -12.610 -9.040 2.481 1.00 10.44 C ATOM 510 O GLY A 34 -13.033 -8.898 3.635 1.00 53.23 O ATOM 0 H GLY A 34 -11.565 -10.795 0.104 1.00 4.21 H new ATOM 0 HA2 GLY A 34 -13.578 -10.190 0.936 1.00 2.13 H new ATOM 0 HA3 GLY A 34 -13.263 -11.093 2.404 1.00 2.13 H new ATOM 514 N ALA A 35 -11.943 -8.077 1.824 1.00 43.45 N ATOM 515 CA ALA A 35 -11.596 -6.759 2.409 1.00 23.34 C ATOM 516 C ALA A 35 -11.783 -5.629 1.370 1.00 3.43 C ATOM 517 O ALA A 35 -11.410 -5.781 0.199 1.00 2.14 O ATOM 518 CB ALA A 35 -10.148 -6.782 2.926 1.00 22.10 C ATOM 0 H ALA A 35 -11.624 -8.187 0.862 1.00 43.45 H new ATOM 0 HA ALA A 35 -12.267 -6.561 3.244 1.00 23.34 H new ATOM 0 HB1 ALA A 35 -9.899 -5.811 3.354 1.00 22.10 H new ATOM 0 HB2 ALA A 35 -10.047 -7.553 3.690 1.00 22.10 H new ATOM 0 HB3 ALA A 35 -9.470 -6.999 2.100 1.00 22.10 H new ATOM 524 N ASP A 36 -12.368 -4.500 1.811 1.00 51.53 N ATOM 525 CA ASP A 36 -12.579 -3.309 0.960 1.00 13.30 C ATOM 526 C ASP A 36 -11.255 -2.506 0.809 1.00 5.35 C ATOM 527 O ASP A 36 -10.845 -1.785 1.722 1.00 20.44 O ATOM 528 CB ASP A 36 -13.688 -2.416 1.562 1.00 35.25 C ATOM 529 CG ASP A 36 -15.008 -3.161 1.810 1.00 53.22 C ATOM 530 OD1 ASP A 36 -15.147 -3.802 2.877 1.00 20.33 O ATOM 531 OD2 ASP A 36 -15.914 -3.112 0.947 1.00 13.13 O ATOM 0 H ASP A 36 -12.708 -4.385 2.766 1.00 51.53 H new ATOM 0 HA ASP A 36 -12.894 -3.638 -0.030 1.00 13.30 H new ATOM 0 HB2 ASP A 36 -13.334 -1.997 2.504 1.00 35.25 H new ATOM 0 HB3 ASP A 36 -13.874 -1.578 0.890 1.00 35.25 H new ATOM 536 N CYS A 37 -10.599 -2.633 -0.359 1.00 44.10 N ATOM 537 CA CYS A 37 -9.274 -2.011 -0.632 1.00 32.33 C ATOM 538 C CYS A 37 -9.318 -0.459 -0.682 1.00 50.45 C ATOM 539 O CYS A 37 -8.291 0.199 -0.490 1.00 71.34 O ATOM 540 CB CYS A 37 -8.718 -2.576 -1.950 1.00 33.25 C ATOM 541 SG CYS A 37 -9.843 -2.422 -3.354 1.00 75.41 S ATOM 0 H CYS A 37 -10.966 -3.168 -1.146 1.00 44.10 H new ATOM 0 HA CYS A 37 -8.617 -2.263 0.201 1.00 32.33 H new ATOM 0 HB2 CYS A 37 -7.786 -2.063 -2.188 1.00 33.25 H new ATOM 0 HB3 CYS A 37 -8.475 -3.629 -1.807 1.00 33.25 H new ATOM 0 HG CYS A 37 -9.284 -2.924 -4.415 1.00 75.41 H new ATOM 547 N GLU A 38 -10.517 0.107 -0.917 1.00 40.41 N ATOM 548 CA GLU A 38 -10.719 1.576 -1.033 1.00 31.13 C ATOM 549 C GLU A 38 -10.548 2.326 0.324 1.00 15.35 C ATOM 550 O GLU A 38 -10.094 3.478 0.350 1.00 0.03 O ATOM 551 CB GLU A 38 -12.086 1.878 -1.735 1.00 15.31 C ATOM 552 CG GLU A 38 -13.291 0.980 -1.334 1.00 22.14 C ATOM 553 CD GLU A 38 -13.995 1.381 -0.024 1.00 32.31 C ATOM 554 OE1 GLU A 38 -14.895 2.246 -0.067 1.00 61.12 O ATOM 555 OE2 GLU A 38 -13.659 0.840 1.043 1.00 13.14 O ATOM 0 H GLU A 38 -11.374 -0.433 -1.032 1.00 40.41 H new ATOM 0 HA GLU A 38 -9.925 1.973 -1.665 1.00 31.13 H new ATOM 0 HB2 GLU A 38 -12.352 2.915 -1.530 1.00 15.31 H new ATOM 0 HB3 GLU A 38 -11.942 1.793 -2.812 1.00 15.31 H new ATOM 0 HG2 GLU A 38 -14.022 0.998 -2.142 1.00 22.14 H new ATOM 0 HG3 GLU A 38 -12.943 -0.049 -1.242 1.00 22.14 H new ATOM 562 N ARG A 39 -10.933 1.678 1.441 1.00 62.30 N ATOM 563 CA ARG A 39 -10.682 2.207 2.813 1.00 31.02 C ATOM 564 C ARG A 39 -9.260 1.837 3.322 1.00 42.32 C ATOM 565 O ARG A 39 -8.689 2.546 4.154 1.00 34.11 O ATOM 566 CB ARG A 39 -11.781 1.725 3.801 1.00 53.30 C ATOM 567 CG ARG A 39 -11.817 0.203 4.050 1.00 31.42 C ATOM 568 CD ARG A 39 -13.100 -0.255 4.764 1.00 60.04 C ATOM 569 NE ARG A 39 -14.300 0.030 3.944 1.00 52.02 N ATOM 570 CZ ARG A 39 -15.537 -0.326 4.228 1.00 40.42 C ATOM 571 NH1 ARG A 39 -15.822 -1.008 5.296 1.00 61.23 N ATOM 572 NH2 ARG A 39 -16.486 -0.010 3.407 1.00 14.11 N ATOM 0 H ARG A 39 -11.422 0.783 1.428 1.00 62.30 H new ATOM 0 HA ARG A 39 -10.729 3.295 2.761 1.00 31.02 H new ATOM 0 HB2 ARG A 39 -11.636 2.230 4.756 1.00 53.30 H new ATOM 0 HB3 ARG A 39 -12.753 2.038 3.419 1.00 53.30 H new ATOM 0 HG2 ARG A 39 -11.732 -0.318 3.097 1.00 31.42 H new ATOM 0 HG3 ARG A 39 -10.952 -0.083 4.648 1.00 31.42 H new ATOM 0 HD2 ARG A 39 -13.043 -1.324 4.970 1.00 60.04 H new ATOM 0 HD3 ARG A 39 -13.185 0.251 5.726 1.00 60.04 H new ATOM 0 HE ARG A 39 -14.156 0.550 3.079 1.00 52.02 H new ATOM 0 HH11 ARG A 39 -15.080 -1.282 5.940 1.00 61.23 H new ATOM 0 HH12 ARG A 39 -16.788 -1.270 5.491 1.00 61.23 H new ATOM 0 HH21 ARG A 39 -16.272 0.507 2.554 1.00 14.11 H new ATOM 0 HH22 ARG A 39 -17.448 -0.278 3.612 1.00 14.11 H new ATOM 586 N LEU A 40 -8.696 0.721 2.811 1.00 52.23 N ATOM 587 CA LEU A 40 -7.335 0.262 3.194 1.00 62.44 C ATOM 588 C LEU A 40 -6.239 1.198 2.625 1.00 23.24 C ATOM 589 O LEU A 40 -5.248 1.484 3.302 1.00 25.12 O ATOM 590 CB LEU A 40 -7.111 -1.199 2.725 1.00 10.12 C ATOM 591 CG LEU A 40 -8.073 -2.261 3.351 1.00 40.23 C ATOM 592 CD1 LEU A 40 -7.823 -3.671 2.770 1.00 33.54 C ATOM 593 CD2 LEU A 40 -7.976 -2.267 4.896 1.00 52.13 C ATOM 0 H LEU A 40 -9.160 0.118 2.131 1.00 52.23 H new ATOM 0 HA LEU A 40 -7.260 0.296 4.281 1.00 62.44 H new ATOM 0 HB2 LEU A 40 -7.215 -1.234 1.641 1.00 10.12 H new ATOM 0 HB3 LEU A 40 -6.084 -1.483 2.956 1.00 10.12 H new ATOM 0 HG LEU A 40 -9.090 -1.974 3.083 1.00 40.23 H new ATOM 0 HD11 LEU A 40 -8.511 -4.381 3.230 1.00 33.54 H new ATOM 0 HD12 LEU A 40 -7.985 -3.654 1.692 1.00 33.54 H new ATOM 0 HD13 LEU A 40 -6.797 -3.973 2.978 1.00 33.54 H new ATOM 0 HD21 LEU A 40 -8.657 -3.016 5.300 1.00 52.13 H new ATOM 0 HD22 LEU A 40 -6.955 -2.505 5.196 1.00 52.13 H new ATOM 0 HD23 LEU A 40 -8.247 -1.284 5.281 1.00 52.13 H new ATOM 605 N SER A 41 -6.455 1.679 1.380 1.00 20.34 N ATOM 606 CA SER A 41 -5.563 2.664 0.705 1.00 11.34 C ATOM 607 C SER A 41 -5.515 4.008 1.468 1.00 54.15 C ATOM 608 O SER A 41 -4.479 4.676 1.508 1.00 1.23 O ATOM 609 CB SER A 41 -6.038 2.921 -0.734 1.00 20.23 C ATOM 610 OG SER A 41 -7.337 3.497 -0.751 1.00 42.13 O ATOM 0 H SER A 41 -7.253 1.398 0.809 1.00 20.34 H new ATOM 0 HA SER A 41 -4.561 2.235 0.693 1.00 11.34 H new ATOM 0 HB2 SER A 41 -5.336 3.585 -1.238 1.00 20.23 H new ATOM 0 HB3 SER A 41 -6.046 1.984 -1.290 1.00 20.23 H new ATOM 0 HG SER A 41 -7.821 3.188 -1.545 1.00 42.13 H new ATOM 616 N ALA A 42 -6.666 4.382 2.060 1.00 11.30 N ATOM 617 CA ALA A 42 -6.801 5.562 2.942 1.00 13.32 C ATOM 618 C ALA A 42 -5.886 5.469 4.188 1.00 73.24 C ATOM 619 O ALA A 42 -5.466 6.491 4.731 1.00 24.13 O ATOM 620 CB ALA A 42 -8.261 5.725 3.384 1.00 63.21 C ATOM 0 H ALA A 42 -7.539 3.869 1.939 1.00 11.30 H new ATOM 0 HA ALA A 42 -6.488 6.433 2.366 1.00 13.32 H new ATOM 0 HB1 ALA A 42 -8.350 6.596 4.033 1.00 63.21 H new ATOM 0 HB2 ALA A 42 -8.894 5.860 2.507 1.00 63.21 H new ATOM 0 HB3 ALA A 42 -8.578 4.835 3.927 1.00 63.21 H new ATOM 626 N GLN A 43 -5.633 4.232 4.664 1.00 25.30 N ATOM 627 CA GLN A 43 -4.759 3.985 5.823 1.00 33.15 C ATOM 628 C GLN A 43 -3.235 4.058 5.460 1.00 53.00 C ATOM 629 O GLN A 43 -2.391 4.286 6.341 1.00 71.50 O ATOM 630 CB GLN A 43 -5.135 2.654 6.513 1.00 33.11 C ATOM 631 CG GLN A 43 -4.583 2.534 7.950 1.00 71.53 C ATOM 632 CD GLN A 43 -4.740 1.151 8.583 1.00 53.33 C ATOM 633 OE1 GLN A 43 -3.881 0.826 9.535 1.00 13.53 O flip ATOM 634 NE2 GLN A 43 -5.651 0.395 8.252 1.00 12.21 N flip ATOM 0 H GLN A 43 -6.027 3.384 4.257 1.00 25.30 H new ATOM 0 HA GLN A 43 -4.927 4.792 6.537 1.00 33.15 H new ATOM 0 HB2 GLN A 43 -6.221 2.560 6.539 1.00 33.11 H new ATOM 0 HB3 GLN A 43 -4.758 1.824 5.916 1.00 33.11 H new ATOM 0 HG2 GLN A 43 -3.525 2.796 7.941 1.00 71.53 H new ATOM 0 HG3 GLN A 43 -5.087 3.266 8.580 1.00 71.53 H new ATOM 0 HE21 GLN A 43 -6.300 0.670 7.515 1.00 12.21 H new ATOM 0 HE22 GLN A 43 -5.758 -0.508 8.715 1.00 12.21 H new ATOM 643 N ILE A 44 -2.863 3.826 4.176 1.00 22.40 N ATOM 644 CA ILE A 44 -1.509 4.224 3.685 1.00 31.20 C ATOM 645 C ILE A 44 -1.438 5.771 3.628 1.00 63.43 C ATOM 646 O ILE A 44 -0.454 6.388 4.068 1.00 23.54 O ATOM 647 CB ILE A 44 -1.123 3.645 2.250 1.00 42.21 C ATOM 648 CG1 ILE A 44 -1.056 2.073 2.226 1.00 5.43 C ATOM 649 CG2 ILE A 44 0.227 4.237 1.746 1.00 72.32 C ATOM 650 CD1 ILE A 44 -2.355 1.364 1.892 1.00 53.41 C ATOM 0 H ILE A 44 -3.457 3.380 3.477 1.00 22.40 H new ATOM 0 HA ILE A 44 -0.794 3.797 4.388 1.00 31.20 H new ATOM 0 HB ILE A 44 -1.923 3.952 1.577 1.00 42.21 H new ATOM 0 HG12 ILE A 44 -0.301 1.771 1.500 1.00 5.43 H new ATOM 0 HG13 ILE A 44 -0.715 1.727 3.202 1.00 5.43 H new ATOM 0 HG21 ILE A 44 0.462 3.823 0.766 1.00 72.32 H new ATOM 0 HG22 ILE A 44 0.144 5.321 1.671 1.00 72.32 H new ATOM 0 HG23 ILE A 44 1.021 3.982 2.448 1.00 72.32 H new ATOM 0 HD11 ILE A 44 -2.194 0.286 1.903 1.00 53.41 H new ATOM 0 HD12 ILE A 44 -3.113 1.626 2.630 1.00 53.41 H new ATOM 0 HD13 ILE A 44 -2.692 1.670 0.902 1.00 53.41 H new ATOM 662 N GLU A 45 -2.525 6.364 3.093 1.00 52.13 N ATOM 663 CA GLU A 45 -2.654 7.814 2.840 1.00 54.11 C ATOM 664 C GLU A 45 -2.486 8.671 4.126 1.00 53.10 C ATOM 665 O GLU A 45 -1.721 9.622 4.111 1.00 30.44 O ATOM 666 CB GLU A 45 -4.026 8.101 2.187 1.00 15.03 C ATOM 667 CG GLU A 45 -4.319 9.595 1.868 1.00 32.45 C ATOM 668 CD GLU A 45 -5.807 9.940 1.980 1.00 50.05 C ATOM 669 OE1 GLU A 45 -6.342 9.844 3.109 1.00 12.04 O ATOM 670 OE2 GLU A 45 -6.447 10.306 0.973 1.00 63.14 O ATOM 0 H GLU A 45 -3.355 5.838 2.819 1.00 52.13 H new ATOM 0 HA GLU A 45 -1.846 8.100 2.167 1.00 54.11 H new ATOM 0 HB2 GLU A 45 -4.094 7.530 1.261 1.00 15.03 H new ATOM 0 HB3 GLU A 45 -4.808 7.729 2.849 1.00 15.03 H new ATOM 0 HG2 GLU A 45 -3.751 10.227 2.551 1.00 32.45 H new ATOM 0 HG3 GLU A 45 -3.972 9.822 0.860 1.00 32.45 H new ATOM 677 N GLU A 46 -3.203 8.311 5.223 1.00 43.34 N ATOM 678 CA GLU A 46 -3.169 9.050 6.533 1.00 55.22 C ATOM 679 C GLU A 46 -1.713 9.296 7.027 1.00 35.14 C ATOM 680 O GLU A 46 -1.380 10.382 7.523 1.00 34.55 O ATOM 681 CB GLU A 46 -3.976 8.264 7.634 1.00 45.11 C ATOM 682 CG GLU A 46 -3.476 6.818 7.854 1.00 70.34 C ATOM 683 CD GLU A 46 -4.125 6.033 9.016 1.00 54.43 C ATOM 684 OE1 GLU A 46 -5.368 5.932 9.071 1.00 61.21 O ATOM 685 OE2 GLU A 46 -3.385 5.462 9.857 1.00 24.52 O ATOM 0 H GLU A 46 -3.824 7.502 5.234 1.00 43.34 H new ATOM 0 HA GLU A 46 -3.636 10.020 6.363 1.00 55.22 H new ATOM 0 HB2 GLU A 46 -3.913 8.808 8.576 1.00 45.11 H new ATOM 0 HB3 GLU A 46 -5.028 8.237 7.351 1.00 45.11 H new ATOM 0 HG2 GLU A 46 -3.636 6.258 6.933 1.00 70.34 H new ATOM 0 HG3 GLU A 46 -2.400 6.851 8.024 1.00 70.34 H new ATOM 692 N CYS A 47 -0.860 8.270 6.859 1.00 41.41 N ATOM 693 CA CYS A 47 0.545 8.293 7.304 1.00 41.31 C ATOM 694 C CYS A 47 1.447 9.108 6.348 1.00 51.25 C ATOM 695 O CYS A 47 2.143 10.032 6.780 1.00 41.53 O ATOM 696 CB CYS A 47 1.058 6.844 7.423 1.00 64.41 C ATOM 697 SG CYS A 47 0.081 5.834 8.554 1.00 50.40 S ATOM 0 H CYS A 47 -1.128 7.395 6.408 1.00 41.41 H new ATOM 0 HA CYS A 47 0.588 8.787 8.275 1.00 41.31 H new ATOM 0 HB2 CYS A 47 1.052 6.381 6.436 1.00 64.41 H new ATOM 0 HB3 CYS A 47 2.094 6.859 7.762 1.00 64.41 H new ATOM 0 HG CYS A 47 -0.927 5.319 7.915 1.00 50.40 H new ATOM 703 N ILE A 48 1.383 8.784 5.037 1.00 53.23 N ATOM 704 CA ILE A 48 2.252 9.418 4.008 1.00 41.14 C ATOM 705 C ILE A 48 1.880 10.909 3.784 1.00 2.30 C ATOM 706 O ILE A 48 2.720 11.708 3.383 1.00 14.13 O ATOM 707 CB ILE A 48 2.220 8.617 2.640 1.00 41.44 C ATOM 708 CG1 ILE A 48 3.339 9.118 1.654 1.00 14.24 C ATOM 709 CG2 ILE A 48 0.823 8.686 1.971 1.00 25.53 C ATOM 710 CD1 ILE A 48 3.417 8.361 0.333 1.00 52.23 C ATOM 0 H ILE A 48 0.740 8.087 4.662 1.00 53.23 H new ATOM 0 HA ILE A 48 3.272 9.383 4.390 1.00 41.14 H new ATOM 0 HB ILE A 48 2.424 7.572 2.875 1.00 41.44 H new ATOM 0 HG12 ILE A 48 3.170 10.174 1.442 1.00 14.24 H new ATOM 0 HG13 ILE A 48 4.304 9.045 2.155 1.00 14.24 H new ATOM 0 HG21 ILE A 48 0.839 8.126 1.036 1.00 25.53 H new ATOM 0 HG22 ILE A 48 0.078 8.255 2.639 1.00 25.53 H new ATOM 0 HG23 ILE A 48 0.568 9.726 1.767 1.00 25.53 H new ATOM 0 HD11 ILE A 48 4.217 8.778 -0.279 1.00 52.23 H new ATOM 0 HD12 ILE A 48 3.621 7.308 0.528 1.00 52.23 H new ATOM 0 HD13 ILE A 48 2.469 8.455 -0.197 1.00 52.23 H new ATOM 722 N PHE A 49 0.615 11.269 4.082 1.00 24.11 N ATOM 723 CA PHE A 49 0.088 12.647 3.909 1.00 31.21 C ATOM 724 C PHE A 49 0.765 13.647 4.880 1.00 74.44 C ATOM 725 O PHE A 49 0.829 14.851 4.600 1.00 14.41 O ATOM 726 CB PHE A 49 -1.461 12.657 4.089 1.00 32.12 C ATOM 727 CG PHE A 49 -2.156 13.979 3.740 1.00 63.24 C ATOM 728 CD1 PHE A 49 -2.346 14.353 2.406 1.00 53.22 C ATOM 729 CD2 PHE A 49 -2.617 14.845 4.736 1.00 2.03 C ATOM 730 CE1 PHE A 49 -2.974 15.543 2.083 1.00 0.22 C ATOM 731 CE2 PHE A 49 -3.244 16.033 4.410 1.00 75.31 C ATOM 732 CZ PHE A 49 -3.419 16.384 3.085 1.00 10.14 C ATOM 0 H PHE A 49 -0.075 10.614 4.450 1.00 24.11 H new ATOM 0 HA PHE A 49 0.326 12.972 2.896 1.00 31.21 H new ATOM 0 HB2 PHE A 49 -1.887 11.868 3.469 1.00 32.12 H new ATOM 0 HB3 PHE A 49 -1.691 12.408 5.125 1.00 32.12 H new ATOM 0 HD1 PHE A 49 -1.998 13.704 1.616 1.00 53.22 H new ATOM 0 HD2 PHE A 49 -2.481 14.582 5.775 1.00 2.03 H new ATOM 0 HE1 PHE A 49 -3.116 15.815 1.047 1.00 0.22 H new ATOM 0 HE2 PHE A 49 -3.598 16.688 5.192 1.00 75.31 H new ATOM 0 HZ PHE A 49 -3.904 17.316 2.833 1.00 10.14 H new ATOM 742 N ARG A 50 1.250 13.121 6.017 1.00 25.11 N ATOM 743 CA ARG A 50 1.987 13.904 7.028 1.00 0.23 C ATOM 744 C ARG A 50 3.453 14.163 6.609 1.00 53.24 C ATOM 745 O ARG A 50 3.990 15.242 6.867 1.00 51.02 O ATOM 746 CB ARG A 50 1.932 13.171 8.400 1.00 42.54 C ATOM 747 CG ARG A 50 0.527 13.109 9.044 1.00 32.14 C ATOM 748 CD ARG A 50 -0.013 14.507 9.384 1.00 32.54 C ATOM 749 NE ARG A 50 -1.307 14.453 10.080 1.00 33.55 N ATOM 750 CZ ARG A 50 -1.918 15.484 10.621 1.00 71.21 C ATOM 751 NH1 ARG A 50 -1.383 16.669 10.613 1.00 74.12 N ATOM 752 NH2 ARG A 50 -3.065 15.310 11.191 1.00 43.21 N ATOM 0 H ARG A 50 1.142 12.137 6.263 1.00 25.11 H new ATOM 0 HA ARG A 50 1.505 14.878 7.115 1.00 0.23 H new ATOM 0 HB2 ARG A 50 2.302 12.154 8.268 1.00 42.54 H new ATOM 0 HB3 ARG A 50 2.612 13.670 9.091 1.00 42.54 H new ATOM 0 HG2 ARG A 50 -0.162 12.610 8.363 1.00 32.14 H new ATOM 0 HG3 ARG A 50 0.570 12.507 9.951 1.00 32.14 H new ATOM 0 HD2 ARG A 50 0.711 15.031 10.008 1.00 32.54 H new ATOM 0 HD3 ARG A 50 -0.121 15.085 8.466 1.00 32.54 H new ATOM 0 HE ARG A 50 -1.767 13.545 10.149 1.00 33.55 H new ATOM 0 HH11 ARG A 50 -0.471 16.814 10.181 1.00 74.12 H new ATOM 0 HH12 ARG A 50 -1.876 17.454 11.039 1.00 74.12 H new ATOM 0 HH21 ARG A 50 -3.486 14.381 11.217 1.00 43.21 H new ATOM 0 HH22 ARG A 50 -3.549 16.102 11.614 1.00 43.21 H new ATOM 766 N ASP A 51 4.100 13.165 5.976 1.00 23.35 N ATOM 767 CA ASP A 51 5.532 13.255 5.589 1.00 65.42 C ATOM 768 C ASP A 51 5.739 13.879 4.184 1.00 1.15 C ATOM 769 O ASP A 51 6.437 14.886 4.033 1.00 43.22 O ATOM 770 CB ASP A 51 6.156 11.842 5.625 1.00 41.00 C ATOM 771 CG ASP A 51 6.053 11.187 7.006 1.00 52.14 C ATOM 772 OD1 ASP A 51 5.026 10.541 7.292 1.00 72.34 O ATOM 773 OD2 ASP A 51 6.995 11.329 7.815 1.00 61.32 O ATOM 0 H ASP A 51 3.657 12.283 5.719 1.00 23.35 H new ATOM 0 HA ASP A 51 6.023 13.914 6.305 1.00 65.42 H new ATOM 0 HB2 ASP A 51 5.658 11.210 4.889 1.00 41.00 H new ATOM 0 HB3 ASP A 51 7.205 11.904 5.334 1.00 41.00 H new ATOM 778 N VAL A 52 5.111 13.269 3.162 1.00 62.11 N ATOM 779 CA VAL A 52 5.336 13.622 1.730 1.00 60.05 C ATOM 780 C VAL A 52 4.058 14.196 1.058 1.00 62.20 C ATOM 781 O VAL A 52 4.139 14.835 0.010 1.00 2.40 O ATOM 782 CB VAL A 52 5.837 12.364 0.891 1.00 34.42 C ATOM 783 CG1 VAL A 52 6.732 12.793 -0.293 1.00 31.54 C ATOM 784 CG2 VAL A 52 6.565 11.331 1.771 1.00 75.24 C ATOM 0 H VAL A 52 4.433 12.518 3.295 1.00 62.11 H new ATOM 0 HA VAL A 52 6.108 14.392 1.729 1.00 60.05 H new ATOM 0 HB VAL A 52 4.945 11.884 0.490 1.00 34.42 H new ATOM 0 HG11 VAL A 52 7.056 11.909 -0.843 1.00 31.54 H new ATOM 0 HG12 VAL A 52 6.168 13.448 -0.957 1.00 31.54 H new ATOM 0 HG13 VAL A 52 7.605 13.325 0.085 1.00 31.54 H new ATOM 0 HG21 VAL A 52 6.888 10.492 1.155 1.00 75.24 H new ATOM 0 HG22 VAL A 52 7.435 11.797 2.235 1.00 75.24 H new ATOM 0 HG23 VAL A 52 5.888 10.973 2.547 1.00 75.24 H new ATOM 794 N GLY A 53 2.883 13.984 1.678 1.00 51.14 N ATOM 795 CA GLY A 53 1.579 14.261 1.031 1.00 3.03 C ATOM 796 C GLY A 53 1.139 15.729 0.989 1.00 72.52 C ATOM 797 O GLY A 53 -0.046 16.015 0.816 1.00 3.52 O ATOM 0 H GLY A 53 2.806 13.621 2.628 1.00 51.14 H new ATOM 0 HA2 GLY A 53 1.618 13.886 0.008 1.00 3.03 H new ATOM 0 HA3 GLY A 53 0.811 13.688 1.551 1.00 3.03 H new ATOM 801 N ASN A 54 2.095 16.663 1.098 1.00 54.41 N ATOM 802 CA ASN A 54 1.839 18.125 1.001 1.00 65.31 C ATOM 803 C ASN A 54 1.833 18.605 -0.482 1.00 21.34 C ATOM 804 O ASN A 54 2.202 19.747 -0.774 1.00 15.10 O ATOM 805 CB ASN A 54 2.910 18.885 1.836 1.00 34.24 C ATOM 806 CG ASN A 54 4.349 18.668 1.331 1.00 20.23 C ATOM 807 OD1 ASN A 54 4.992 17.613 1.778 1.00 22.14 O flip ATOM 808 ND2 ASN A 54 4.872 19.437 0.530 1.00 51.25 N flip ATOM 0 H ASN A 54 3.076 16.434 1.257 1.00 54.41 H new ATOM 0 HA ASN A 54 0.850 18.341 1.405 1.00 65.31 H new ATOM 0 HB2 ASN A 54 2.684 19.951 1.818 1.00 34.24 H new ATOM 0 HB3 ASN A 54 2.845 18.563 2.875 1.00 34.24 H new ATOM 0 HD21 ASN A 54 4.357 20.251 0.194 1.00 51.25 H new ATOM 0 HD22 ASN A 54 5.821 19.262 0.200 1.00 51.25 H new ATOM 815 N THR A 55 1.341 17.725 -1.400 1.00 50.22 N ATOM 816 CA THR A 55 1.441 17.878 -2.884 1.00 35.14 C ATOM 817 C THR A 55 2.911 18.099 -3.340 1.00 50.14 C ATOM 818 O THR A 55 3.188 18.769 -4.342 1.00 52.43 O ATOM 819 CB THR A 55 0.495 19.008 -3.457 1.00 14.20 C ATOM 820 OG1 THR A 55 0.957 20.330 -3.101 1.00 33.21 O ATOM 821 CG2 THR A 55 -0.951 18.842 -2.960 1.00 54.54 C ATOM 0 H THR A 55 0.854 16.872 -1.125 1.00 50.22 H new ATOM 0 HA THR A 55 1.091 16.935 -3.305 1.00 35.14 H new ATOM 0 HB THR A 55 0.521 18.901 -4.541 1.00 14.20 H new ATOM 0 HG1 THR A 55 1.484 20.281 -2.276 1.00 33.21 H new ATOM 0 HG21 THR A 55 -1.572 19.636 -3.374 1.00 54.54 H new ATOM 0 HG22 THR A 55 -1.337 17.875 -3.281 1.00 54.54 H new ATOM 0 HG23 THR A 55 -0.970 18.897 -1.872 1.00 54.54 H new ATOM 829 N ASP A 56 3.827 17.455 -2.599 1.00 15.13 N ATOM 830 CA ASP A 56 5.293 17.606 -2.730 1.00 23.34 C ATOM 831 C ASP A 56 5.839 17.048 -4.079 1.00 2.42 C ATOM 832 O ASP A 56 5.147 16.305 -4.786 1.00 44.32 O ATOM 833 CB ASP A 56 5.939 16.898 -1.506 1.00 60.22 C ATOM 834 CG ASP A 56 7.467 16.985 -1.427 1.00 30.43 C ATOM 835 OD1 ASP A 56 8.026 18.086 -1.588 1.00 20.21 O ATOM 836 OD2 ASP A 56 8.114 15.947 -1.213 1.00 53.01 O ATOM 0 H ASP A 56 3.564 16.793 -1.868 1.00 15.13 H new ATOM 0 HA ASP A 56 5.553 18.664 -2.742 1.00 23.34 H new ATOM 0 HB2 ASP A 56 5.520 17.328 -0.596 1.00 60.22 H new ATOM 0 HB3 ASP A 56 5.652 15.847 -1.523 1.00 60.22 H new ATOM 841 N MET A 57 7.092 17.428 -4.416 1.00 50.31 N ATOM 842 CA MET A 57 7.769 17.027 -5.662 1.00 11.34 C ATOM 843 C MET A 57 7.931 15.483 -5.755 1.00 13.13 C ATOM 844 O MET A 57 7.250 14.854 -6.559 1.00 64.42 O ATOM 845 CB MET A 57 9.141 17.748 -5.764 1.00 41.33 C ATOM 846 CG MET A 57 9.885 17.543 -7.091 1.00 55.04 C ATOM 847 SD MET A 57 11.394 18.531 -7.206 1.00 13.42 S ATOM 848 CE MET A 57 10.754 20.203 -7.130 1.00 51.04 C ATOM 0 H MET A 57 7.664 18.028 -3.822 1.00 50.31 H new ATOM 0 HA MET A 57 7.149 17.328 -6.507 1.00 11.34 H new ATOM 0 HB2 MET A 57 8.985 18.816 -5.614 1.00 41.33 H new ATOM 0 HB3 MET A 57 9.778 17.401 -4.950 1.00 41.33 H new ATOM 0 HG2 MET A 57 10.137 16.488 -7.202 1.00 55.04 H new ATOM 0 HG3 MET A 57 9.223 17.801 -7.917 1.00 55.04 H new ATOM 0 HE1 MET A 57 11.499 20.896 -7.520 1.00 51.04 H new ATOM 0 HE2 MET A 57 9.846 20.272 -7.729 1.00 51.04 H new ATOM 0 HE3 MET A 57 10.527 20.459 -6.095 1.00 51.04 H new ATOM 858 N LYS A 58 8.793 14.889 -4.885 1.00 70.35 N ATOM 859 CA LYS A 58 9.062 13.413 -4.856 1.00 62.01 C ATOM 860 C LYS A 58 7.785 12.558 -4.631 1.00 65.43 C ATOM 861 O LYS A 58 7.753 11.396 -5.029 1.00 52.35 O ATOM 862 CB LYS A 58 10.146 13.049 -3.800 1.00 32.00 C ATOM 863 CG LYS A 58 9.827 13.481 -2.359 1.00 43.34 C ATOM 864 CD LYS A 58 10.941 13.094 -1.355 1.00 50.03 C ATOM 865 CE LYS A 58 10.648 13.582 0.078 1.00 51.53 C ATOM 866 NZ LYS A 58 10.565 15.067 0.153 1.00 15.15 N ATOM 0 H LYS A 58 9.321 15.411 -4.186 1.00 70.35 H new ATOM 0 HA LYS A 58 9.439 13.167 -5.849 1.00 62.01 H new ATOM 0 HB2 LYS A 58 10.296 11.969 -3.814 1.00 32.00 H new ATOM 0 HB3 LYS A 58 11.089 13.506 -4.099 1.00 32.00 H new ATOM 0 HG2 LYS A 58 9.680 14.561 -2.333 1.00 43.34 H new ATOM 0 HG3 LYS A 58 8.888 13.023 -2.047 1.00 43.34 H new ATOM 0 HD2 LYS A 58 11.058 12.010 -1.348 1.00 50.03 H new ATOM 0 HD3 LYS A 58 11.889 13.515 -1.691 1.00 50.03 H new ATOM 0 HE2 LYS A 58 9.710 13.148 0.425 1.00 51.53 H new ATOM 0 HE3 LYS A 58 11.430 13.228 0.749 1.00 51.53 H new ATOM 0 HZ1 LYS A 58 10.537 15.363 1.150 1.00 15.15 H new ATOM 0 HZ2 LYS A 58 11.398 15.485 -0.309 1.00 15.15 H new ATOM 0 HZ3 LYS A 58 9.702 15.391 -0.329 1.00 15.15 H new ATOM 880 N TYR A 59 6.752 13.154 -3.992 1.00 74.31 N ATOM 881 CA TYR A 59 5.457 12.489 -3.660 1.00 24.42 C ATOM 882 C TYR A 59 4.791 11.787 -4.874 1.00 14.03 C ATOM 883 O TYR A 59 4.225 10.702 -4.737 1.00 10.23 O ATOM 884 CB TYR A 59 4.492 13.559 -3.070 1.00 74.20 C ATOM 885 CG TYR A 59 3.075 13.078 -2.694 1.00 31.12 C ATOM 886 CD1 TYR A 59 2.876 11.989 -1.837 1.00 60.41 C ATOM 887 CD2 TYR A 59 1.935 13.728 -3.186 1.00 3.20 C ATOM 888 CE1 TYR A 59 1.603 11.568 -1.496 1.00 65.24 C ATOM 889 CE2 TYR A 59 0.664 13.310 -2.841 1.00 70.55 C ATOM 890 CZ TYR A 59 0.501 12.234 -1.996 1.00 54.03 C ATOM 891 OH TYR A 59 -0.769 11.824 -1.650 1.00 41.15 O ATOM 0 H TYR A 59 6.789 14.126 -3.685 1.00 74.31 H new ATOM 0 HA TYR A 59 5.667 11.702 -2.936 1.00 24.42 H new ATOM 0 HB2 TYR A 59 4.956 13.982 -2.179 1.00 74.20 H new ATOM 0 HB3 TYR A 59 4.396 14.368 -3.794 1.00 74.20 H new ATOM 0 HD1 TYR A 59 3.732 11.468 -1.435 1.00 60.41 H new ATOM 0 HD2 TYR A 59 2.052 14.573 -3.848 1.00 3.20 H new ATOM 0 HE1 TYR A 59 1.471 10.720 -0.840 1.00 65.24 H new ATOM 0 HE2 TYR A 59 -0.200 13.826 -3.233 1.00 70.55 H new ATOM 0 HH TYR A 59 -0.986 10.994 -2.125 1.00 41.15 H new ATOM 901 N LYS A 60 4.905 12.407 -6.055 1.00 70.30 N ATOM 902 CA LYS A 60 4.247 11.914 -7.288 1.00 2.44 C ATOM 903 C LYS A 60 4.865 10.576 -7.776 1.00 0.13 C ATOM 904 O LYS A 60 4.142 9.638 -8.153 1.00 1.15 O ATOM 905 CB LYS A 60 4.319 13.003 -8.392 1.00 75.33 C ATOM 906 CG LYS A 60 3.865 14.423 -7.945 1.00 32.11 C ATOM 907 CD LYS A 60 2.461 14.468 -7.261 1.00 60.22 C ATOM 908 CE LYS A 60 1.318 13.908 -8.138 1.00 24.42 C ATOM 909 NZ LYS A 60 1.296 14.509 -9.492 1.00 5.40 N ATOM 0 H LYS A 60 5.450 13.259 -6.191 1.00 70.30 H new ATOM 0 HA LYS A 60 3.201 11.711 -7.060 1.00 2.44 H new ATOM 0 HB2 LYS A 60 5.345 13.063 -8.755 1.00 75.33 H new ATOM 0 HB3 LYS A 60 3.701 12.688 -9.233 1.00 75.33 H new ATOM 0 HG2 LYS A 60 4.605 14.827 -7.254 1.00 32.11 H new ATOM 0 HG3 LYS A 60 3.852 15.078 -8.816 1.00 32.11 H new ATOM 0 HD2 LYS A 60 2.503 13.901 -6.331 1.00 60.22 H new ATOM 0 HD3 LYS A 60 2.230 15.500 -6.996 1.00 60.22 H new ATOM 0 HE2 LYS A 60 1.428 12.827 -8.225 1.00 24.42 H new ATOM 0 HE3 LYS A 60 0.363 14.093 -7.646 1.00 24.42 H new ATOM 0 HZ1 LYS A 60 0.454 14.178 -10.005 1.00 5.40 H new ATOM 0 HZ2 LYS A 60 1.267 15.545 -9.411 1.00 5.40 H new ATOM 0 HZ3 LYS A 60 2.152 14.226 -10.011 1.00 5.40 H new ATOM 923 N ASN A 61 6.208 10.499 -7.751 1.00 43.13 N ATOM 924 CA ASN A 61 6.954 9.254 -8.047 1.00 63.40 C ATOM 925 C ASN A 61 6.870 8.252 -6.869 1.00 64.23 C ATOM 926 O ASN A 61 6.907 7.046 -7.091 1.00 42.01 O ATOM 927 CB ASN A 61 8.443 9.576 -8.402 1.00 24.54 C ATOM 928 CG ASN A 61 8.683 9.759 -9.905 1.00 60.12 C ATOM 929 OD1 ASN A 61 9.092 8.828 -10.593 1.00 14.10 O ATOM 930 ND2 ASN A 61 8.382 10.919 -10.439 1.00 32.03 N ATOM 0 H ASN A 61 6.808 11.293 -7.526 1.00 43.13 H new ATOM 0 HA ASN A 61 6.489 8.783 -8.913 1.00 63.40 H new ATOM 0 HB2 ASN A 61 8.745 10.484 -7.880 1.00 24.54 H new ATOM 0 HB3 ASN A 61 9.079 8.770 -8.035 1.00 24.54 H new ATOM 0 HD21 ASN A 61 8.486 11.060 -11.444 1.00 32.03 H new ATOM 0 HD22 ASN A 61 8.044 11.679 -9.849 1.00 32.03 H new ATOM 937 N ARG A 62 6.741 8.764 -5.628 1.00 54.32 N ATOM 938 CA ARG A 62 6.686 7.924 -4.405 1.00 2.11 C ATOM 939 C ARG A 62 5.443 7.004 -4.404 1.00 71.45 C ATOM 940 O ARG A 62 5.532 5.816 -4.051 1.00 21.25 O ATOM 941 CB ARG A 62 6.703 8.819 -3.133 1.00 55.25 C ATOM 942 CG ARG A 62 6.768 8.065 -1.774 1.00 54.41 C ATOM 943 CD ARG A 62 8.132 7.383 -1.503 1.00 41.10 C ATOM 944 NE ARG A 62 8.426 6.248 -2.412 1.00 63.01 N ATOM 945 CZ ARG A 62 9.607 5.975 -2.938 1.00 21.22 C ATOM 946 NH1 ARG A 62 10.623 6.761 -2.758 1.00 22.31 N ATOM 947 NH2 ARG A 62 9.756 4.917 -3.667 1.00 43.11 N ATOM 0 H ARG A 62 6.672 9.764 -5.441 1.00 54.32 H new ATOM 0 HA ARG A 62 7.569 7.286 -4.399 1.00 2.11 H new ATOM 0 HB2 ARG A 62 7.560 9.490 -3.196 1.00 55.25 H new ATOM 0 HB3 ARG A 62 5.809 9.442 -3.139 1.00 55.25 H new ATOM 0 HG2 ARG A 62 6.557 8.768 -0.968 1.00 54.41 H new ATOM 0 HG3 ARG A 62 5.983 7.309 -1.750 1.00 54.41 H new ATOM 0 HD2 ARG A 62 8.924 8.126 -1.597 1.00 41.10 H new ATOM 0 HD3 ARG A 62 8.151 7.026 -0.473 1.00 41.10 H new ATOM 0 HE ARG A 62 7.653 5.627 -2.651 1.00 63.01 H new ATOM 0 HH11 ARG A 62 10.519 7.609 -2.201 1.00 22.31 H new ATOM 0 HH12 ARG A 62 11.526 6.531 -3.173 1.00 22.31 H new ATOM 0 HH21 ARG A 62 8.963 4.297 -3.834 1.00 43.11 H new ATOM 0 HH22 ARG A 62 10.666 4.703 -4.075 1.00 43.11 H new ATOM 961 N VAL A 63 4.296 7.576 -4.811 1.00 34.43 N ATOM 962 CA VAL A 63 3.025 6.838 -4.941 1.00 11.12 C ATOM 963 C VAL A 63 3.142 5.723 -6.013 1.00 54.11 C ATOM 964 O VAL A 63 2.915 4.551 -5.708 1.00 11.32 O ATOM 965 CB VAL A 63 1.820 7.804 -5.282 1.00 42.45 C ATOM 966 CG1 VAL A 63 0.495 7.025 -5.503 1.00 13.31 C ATOM 967 CG2 VAL A 63 1.644 8.873 -4.178 1.00 51.45 C ATOM 0 H VAL A 63 4.223 8.563 -5.059 1.00 34.43 H new ATOM 0 HA VAL A 63 2.819 6.376 -3.976 1.00 11.12 H new ATOM 0 HB VAL A 63 2.064 8.305 -6.219 1.00 42.45 H new ATOM 0 HG11 VAL A 63 -0.306 7.727 -5.735 1.00 13.31 H new ATOM 0 HG12 VAL A 63 0.617 6.328 -6.332 1.00 13.31 H new ATOM 0 HG13 VAL A 63 0.242 6.473 -4.598 1.00 13.31 H new ATOM 0 HG21 VAL A 63 0.810 9.526 -4.434 1.00 51.45 H new ATOM 0 HG22 VAL A 63 1.442 8.383 -3.226 1.00 51.45 H new ATOM 0 HG23 VAL A 63 2.556 9.465 -4.096 1.00 51.45 H new ATOM 977 N ARG A 64 3.546 6.098 -7.254 1.00 30.53 N ATOM 978 CA ARG A 64 3.589 5.156 -8.408 1.00 24.34 C ATOM 979 C ARG A 64 4.660 4.042 -8.232 1.00 55.40 C ATOM 980 O ARG A 64 4.492 2.934 -8.741 1.00 72.13 O ATOM 981 CB ARG A 64 3.792 5.907 -9.757 1.00 3.22 C ATOM 982 CG ARG A 64 5.212 6.456 -10.020 1.00 73.32 C ATOM 983 CD ARG A 64 5.381 7.007 -11.450 1.00 4.01 C ATOM 984 NE ARG A 64 6.791 7.319 -11.757 1.00 31.52 N ATOM 985 CZ ARG A 64 7.387 7.152 -12.926 1.00 55.14 C ATOM 986 NH1 ARG A 64 6.764 6.654 -13.945 1.00 41.10 N ATOM 987 NH2 ARG A 64 8.627 7.478 -13.061 1.00 55.43 N ATOM 0 H ARG A 64 3.847 7.045 -7.483 1.00 30.53 H new ATOM 0 HA ARG A 64 2.616 4.666 -8.434 1.00 24.34 H new ATOM 0 HB2 ARG A 64 3.530 5.230 -10.570 1.00 3.22 H new ATOM 0 HB3 ARG A 64 3.089 6.739 -9.796 1.00 3.22 H new ATOM 0 HG2 ARG A 64 5.430 7.247 -9.302 1.00 73.32 H new ATOM 0 HG3 ARG A 64 5.941 5.663 -9.852 1.00 73.32 H new ATOM 0 HD2 ARG A 64 5.006 6.277 -12.167 1.00 4.01 H new ATOM 0 HD3 ARG A 64 4.777 7.907 -11.566 1.00 4.01 H new ATOM 0 HE ARG A 64 7.357 7.698 -10.998 1.00 31.52 H new ATOM 0 HH11 ARG A 64 5.786 6.378 -13.860 1.00 41.10 H new ATOM 0 HH12 ARG A 64 7.251 6.538 -14.834 1.00 41.10 H new ATOM 0 HH21 ARG A 64 9.142 7.862 -12.269 1.00 55.43 H new ATOM 0 HH22 ARG A 64 9.093 7.352 -13.960 1.00 55.43 H new ATOM 1001 N SER A 65 5.756 4.353 -7.515 1.00 44.12 N ATOM 1002 CA SER A 65 6.828 3.365 -7.211 1.00 62.52 C ATOM 1003 C SER A 65 6.367 2.329 -6.155 1.00 61.21 C ATOM 1004 O SER A 65 6.775 1.163 -6.195 1.00 14.25 O ATOM 1005 CB SER A 65 8.115 4.081 -6.737 1.00 64.41 C ATOM 1006 OG SER A 65 8.640 4.930 -7.750 1.00 45.31 O ATOM 0 H SER A 65 5.930 5.282 -7.131 1.00 44.12 H new ATOM 0 HA SER A 65 7.046 2.827 -8.133 1.00 62.52 H new ATOM 0 HB2 SER A 65 7.899 4.668 -5.844 1.00 64.41 H new ATOM 0 HB3 SER A 65 8.864 3.340 -6.457 1.00 64.41 H new ATOM 0 HG SER A 65 8.171 5.790 -7.731 1.00 45.31 H new ATOM 1012 N ARG A 66 5.510 2.768 -5.210 1.00 74.50 N ATOM 1013 CA ARG A 66 4.880 1.863 -4.215 1.00 74.35 C ATOM 1014 C ARG A 66 3.799 0.976 -4.891 1.00 54.35 C ATOM 1015 O ARG A 66 3.676 -0.213 -4.578 1.00 62.10 O ATOM 1016 CB ARG A 66 4.296 2.688 -3.030 1.00 3.41 C ATOM 1017 CG ARG A 66 3.627 1.841 -1.921 1.00 44.04 C ATOM 1018 CD ARG A 66 3.298 2.643 -0.639 1.00 70.41 C ATOM 1019 NE ARG A 66 4.515 3.110 0.070 1.00 13.43 N ATOM 1020 CZ ARG A 66 5.215 2.396 0.941 1.00 10.32 C ATOM 1021 NH1 ARG A 66 4.934 1.151 1.176 1.00 5.31 N ATOM 1022 NH2 ARG A 66 6.221 2.929 1.559 1.00 42.22 N ATOM 0 H ARG A 66 5.235 3.745 -5.112 1.00 74.50 H new ATOM 0 HA ARG A 66 5.640 1.195 -3.810 1.00 74.35 H new ATOM 0 HB2 ARG A 66 5.098 3.277 -2.585 1.00 3.41 H new ATOM 0 HB3 ARG A 66 3.563 3.393 -3.422 1.00 3.41 H new ATOM 0 HG2 ARG A 66 2.708 1.406 -2.313 1.00 44.04 H new ATOM 0 HG3 ARG A 66 4.286 1.012 -1.662 1.00 44.04 H new ATOM 0 HD2 ARG A 66 2.682 3.503 -0.901 1.00 70.41 H new ATOM 0 HD3 ARG A 66 2.707 2.021 0.033 1.00 70.41 H new ATOM 0 HE ARG A 66 4.839 4.056 -0.129 1.00 13.43 H new ATOM 0 HH11 ARG A 66 4.160 0.702 0.686 1.00 5.31 H new ATOM 0 HH12 ARG A 66 5.487 0.622 1.850 1.00 5.31 H new ATOM 0 HH21 ARG A 66 6.476 3.900 1.376 1.00 42.22 H new ATOM 0 HH22 ARG A 66 6.758 2.378 2.229 1.00 42.22 H new ATOM 1036 N ILE A 67 3.049 1.578 -5.841 1.00 63.33 N ATOM 1037 CA ILE A 67 2.112 0.856 -6.749 1.00 31.35 C ATOM 1038 C ILE A 67 2.855 -0.257 -7.538 1.00 23.22 C ATOM 1039 O ILE A 67 2.353 -1.381 -7.676 1.00 45.12 O ATOM 1040 CB ILE A 67 1.433 1.870 -7.761 1.00 3.21 C ATOM 1041 CG1 ILE A 67 0.490 2.863 -7.003 1.00 21.23 C ATOM 1042 CG2 ILE A 67 0.676 1.153 -8.917 1.00 33.12 C ATOM 1043 CD1 ILE A 67 -0.060 3.997 -7.856 1.00 34.03 C ATOM 0 H ILE A 67 3.073 2.584 -6.005 1.00 63.33 H new ATOM 0 HA ILE A 67 1.339 0.392 -6.137 1.00 31.35 H new ATOM 0 HB ILE A 67 2.239 2.438 -8.225 1.00 3.21 H new ATOM 0 HG12 ILE A 67 -0.346 2.302 -6.587 1.00 21.23 H new ATOM 0 HG13 ILE A 67 1.036 3.291 -6.163 1.00 21.23 H new ATOM 0 HG21 ILE A 67 0.232 1.897 -9.578 1.00 33.12 H new ATOM 0 HG22 ILE A 67 1.375 0.537 -9.482 1.00 33.12 H new ATOM 0 HG23 ILE A 67 -0.110 0.522 -8.501 1.00 33.12 H new ATOM 0 HD11 ILE A 67 -0.702 4.633 -7.246 1.00 34.03 H new ATOM 0 HD12 ILE A 67 0.766 4.588 -8.252 1.00 34.03 H new ATOM 0 HD13 ILE A 67 -0.638 3.583 -8.682 1.00 34.03 H new ATOM 1055 N SER A 68 4.064 0.085 -8.025 1.00 73.51 N ATOM 1056 CA SER A 68 4.962 -0.854 -8.736 1.00 35.30 C ATOM 1057 C SER A 68 5.332 -2.072 -7.857 1.00 75.04 C ATOM 1058 O SER A 68 5.367 -3.196 -8.350 1.00 1.01 O ATOM 1059 CB SER A 68 6.243 -0.119 -9.208 1.00 43.12 C ATOM 1060 OG SER A 68 7.156 -0.998 -9.854 1.00 10.54 O ATOM 0 H SER A 68 4.450 1.025 -7.937 1.00 73.51 H new ATOM 0 HA SER A 68 4.425 -1.229 -9.607 1.00 35.30 H new ATOM 0 HB2 SER A 68 5.969 0.684 -9.892 1.00 43.12 H new ATOM 0 HB3 SER A 68 6.731 0.345 -8.351 1.00 43.12 H new ATOM 0 HG SER A 68 7.949 -0.496 -10.137 1.00 10.54 H new ATOM 1066 N ASN A 69 5.560 -1.833 -6.545 1.00 4.31 N ATOM 1067 CA ASN A 69 5.882 -2.910 -5.566 1.00 63.11 C ATOM 1068 C ASN A 69 4.639 -3.779 -5.217 1.00 54.33 C ATOM 1069 O ASN A 69 4.775 -4.965 -4.893 1.00 11.43 O ATOM 1070 CB ASN A 69 6.509 -2.310 -4.273 1.00 14.04 C ATOM 1071 CG ASN A 69 7.942 -1.775 -4.448 1.00 32.34 C ATOM 1072 OD1 ASN A 69 8.250 -1.185 -5.582 1.00 14.10 O flip ATOM 1073 ND2 ASN A 69 8.761 -1.864 -3.541 1.00 53.42 N flip ATOM 0 H ASN A 69 5.528 -0.900 -6.133 1.00 4.31 H new ATOM 0 HA ASN A 69 6.612 -3.565 -6.041 1.00 63.11 H new ATOM 0 HB2 ASN A 69 5.873 -1.499 -3.918 1.00 14.04 H new ATOM 0 HB3 ASN A 69 6.513 -3.075 -3.497 1.00 14.04 H new ATOM 0 HD21 ASN A 69 8.506 -2.325 -2.667 1.00 53.42 H new ATOM 0 HD22 ASN A 69 9.697 -1.477 -3.660 1.00 53.42 H new ATOM 1080 N LEU A 70 3.436 -3.179 -5.294 1.00 25.04 N ATOM 1081 CA LEU A 70 2.150 -3.884 -5.034 1.00 43.41 C ATOM 1082 C LEU A 70 1.744 -4.838 -6.196 1.00 12.23 C ATOM 1083 O LEU A 70 0.860 -5.686 -6.029 1.00 61.41 O ATOM 1084 CB LEU A 70 1.033 -2.838 -4.767 1.00 12.20 C ATOM 1085 CG LEU A 70 1.178 -2.014 -3.439 1.00 63.14 C ATOM 1086 CD1 LEU A 70 0.191 -0.820 -3.386 1.00 51.20 C ATOM 1087 CD2 LEU A 70 1.001 -2.924 -2.204 1.00 72.35 C ATOM 0 H LEU A 70 3.320 -2.195 -5.537 1.00 25.04 H new ATOM 0 HA LEU A 70 2.287 -4.512 -4.154 1.00 43.41 H new ATOM 0 HB2 LEU A 70 1.005 -2.141 -5.605 1.00 12.20 H new ATOM 0 HB3 LEU A 70 0.073 -3.354 -4.750 1.00 12.20 H new ATOM 0 HG LEU A 70 2.187 -1.603 -3.424 1.00 63.14 H new ATOM 0 HD11 LEU A 70 0.326 -0.278 -2.450 1.00 51.20 H new ATOM 0 HD12 LEU A 70 0.384 -0.151 -4.224 1.00 51.20 H new ATOM 0 HD13 LEU A 70 -0.832 -1.191 -3.446 1.00 51.20 H new ATOM 0 HD21 LEU A 70 1.106 -2.330 -1.296 1.00 72.35 H new ATOM 0 HD22 LEU A 70 0.011 -3.380 -2.227 1.00 72.35 H new ATOM 0 HD23 LEU A 70 1.761 -3.705 -2.216 1.00 72.35 H new ATOM 1099 N LYS A 71 2.385 -4.675 -7.374 1.00 54.31 N ATOM 1100 CA LYS A 71 2.175 -5.560 -8.558 1.00 71.13 C ATOM 1101 C LYS A 71 3.502 -6.246 -9.002 1.00 3.42 C ATOM 1102 O LYS A 71 3.572 -6.831 -10.090 1.00 3.23 O ATOM 1103 CB LYS A 71 1.574 -4.729 -9.735 1.00 71.22 C ATOM 1104 CG LYS A 71 2.478 -3.565 -10.227 1.00 2.30 C ATOM 1105 CD LYS A 71 1.918 -2.828 -11.469 1.00 74.41 C ATOM 1106 CE LYS A 71 0.541 -2.185 -11.226 1.00 54.31 C ATOM 1107 NZ LYS A 71 0.018 -1.520 -12.449 1.00 23.25 N ATOM 0 H LYS A 71 3.062 -3.930 -7.538 1.00 54.31 H new ATOM 0 HA LYS A 71 1.477 -6.348 -8.275 1.00 71.13 H new ATOM 0 HB2 LYS A 71 1.377 -5.398 -10.572 1.00 71.22 H new ATOM 0 HB3 LYS A 71 0.614 -4.319 -9.421 1.00 71.22 H new ATOM 0 HG2 LYS A 71 2.606 -2.848 -9.416 1.00 2.30 H new ATOM 0 HG3 LYS A 71 3.467 -3.959 -10.463 1.00 2.30 H new ATOM 0 HD2 LYS A 71 2.624 -2.055 -11.773 1.00 74.41 H new ATOM 0 HD3 LYS A 71 1.841 -3.533 -12.297 1.00 74.41 H new ATOM 0 HE2 LYS A 71 -0.164 -2.949 -10.898 1.00 54.31 H new ATOM 0 HE3 LYS A 71 0.618 -1.455 -10.420 1.00 54.31 H new ATOM 0 HZ1 LYS A 71 -0.911 -1.099 -12.245 1.00 23.25 H new ATOM 0 HZ2 LYS A 71 0.678 -0.774 -12.748 1.00 23.25 H new ATOM 0 HZ3 LYS A 71 -0.080 -2.221 -13.211 1.00 23.25 H new ATOM 1121 N ASP A 72 4.531 -6.197 -8.134 1.00 73.33 N ATOM 1122 CA ASP A 72 5.915 -6.612 -8.482 1.00 71.42 C ATOM 1123 C ASP A 72 6.119 -8.149 -8.374 1.00 14.53 C ATOM 1124 O ASP A 72 5.499 -8.817 -7.537 1.00 62.40 O ATOM 1125 CB ASP A 72 6.911 -5.861 -7.566 1.00 22.14 C ATOM 1126 CG ASP A 72 8.361 -5.916 -8.058 1.00 23.00 C ATOM 1127 OD1 ASP A 72 8.730 -5.117 -8.942 1.00 40.41 O ATOM 1128 OD2 ASP A 72 9.129 -6.758 -7.577 1.00 65.23 O ATOM 0 H ASP A 72 4.433 -5.870 -7.173 1.00 73.33 H new ATOM 0 HA ASP A 72 6.097 -6.351 -9.524 1.00 71.42 H new ATOM 0 HB2 ASP A 72 6.603 -4.819 -7.486 1.00 22.14 H new ATOM 0 HB3 ASP A 72 6.860 -6.286 -6.563 1.00 22.14 H new ATOM 1133 N ALA A 73 7.034 -8.682 -9.216 1.00 2.14 N ATOM 1134 CA ALA A 73 7.295 -10.136 -9.341 1.00 35.23 C ATOM 1135 C ALA A 73 8.238 -10.702 -8.239 1.00 54.01 C ATOM 1136 O ALA A 73 8.359 -11.924 -8.110 1.00 11.01 O ATOM 1137 CB ALA A 73 7.848 -10.432 -10.746 1.00 71.21 C ATOM 0 H ALA A 73 7.615 -8.113 -9.831 1.00 2.14 H new ATOM 0 HA ALA A 73 6.344 -10.648 -9.195 1.00 35.23 H new ATOM 0 HB1 ALA A 73 8.042 -11.500 -10.843 1.00 71.21 H new ATOM 0 HB2 ALA A 73 7.119 -10.126 -11.496 1.00 71.21 H new ATOM 0 HB3 ALA A 73 8.776 -9.880 -10.896 1.00 71.21 H new ATOM 1143 N LYS A 74 8.915 -9.825 -7.462 1.00 70.24 N ATOM 1144 CA LYS A 74 9.735 -10.254 -6.288 1.00 40.21 C ATOM 1145 C LYS A 74 8.840 -10.766 -5.138 1.00 54.23 C ATOM 1146 O LYS A 74 9.110 -11.822 -4.557 1.00 62.44 O ATOM 1147 CB LYS A 74 10.662 -9.103 -5.765 1.00 72.24 C ATOM 1148 CG LYS A 74 12.036 -8.974 -6.475 1.00 72.13 C ATOM 1149 CD LYS A 74 11.940 -8.618 -7.971 1.00 3.52 C ATOM 1150 CE LYS A 74 13.321 -8.481 -8.629 1.00 74.12 C ATOM 1151 NZ LYS A 74 13.221 -8.045 -10.045 1.00 1.24 N ATOM 0 H LYS A 74 8.914 -8.817 -7.620 1.00 70.24 H new ATOM 0 HA LYS A 74 10.370 -11.070 -6.634 1.00 40.21 H new ATOM 0 HB2 LYS A 74 10.130 -8.157 -5.868 1.00 72.24 H new ATOM 0 HB3 LYS A 74 10.836 -9.257 -4.700 1.00 72.24 H new ATOM 0 HG2 LYS A 74 12.625 -8.210 -5.968 1.00 72.13 H new ATOM 0 HG3 LYS A 74 12.577 -9.915 -6.370 1.00 72.13 H new ATOM 0 HD2 LYS A 74 11.368 -9.388 -8.489 1.00 3.52 H new ATOM 0 HD3 LYS A 74 11.392 -7.683 -8.085 1.00 3.52 H new ATOM 0 HE2 LYS A 74 13.920 -7.762 -8.070 1.00 74.12 H new ATOM 0 HE3 LYS A 74 13.843 -9.437 -8.580 1.00 74.12 H new ATOM 0 HZ1 LYS A 74 14.175 -7.965 -10.452 1.00 1.24 H new ATOM 0 HZ2 LYS A 74 12.672 -8.743 -10.585 1.00 1.24 H new ATOM 0 HZ3 LYS A 74 12.746 -7.121 -10.091 1.00 1.24 H new ATOM 1165 N ASN A 75 7.780 -10.004 -4.822 1.00 11.35 N ATOM 1166 CA ASN A 75 6.898 -10.302 -3.672 1.00 3.15 C ATOM 1167 C ASN A 75 5.479 -9.680 -3.874 1.00 62.22 C ATOM 1168 O ASN A 75 5.243 -8.521 -3.507 1.00 4.43 O ATOM 1169 CB ASN A 75 7.580 -9.786 -2.363 1.00 3.34 C ATOM 1170 CG ASN A 75 6.934 -10.271 -1.060 1.00 4.11 C ATOM 1171 OD1 ASN A 75 5.745 -10.507 -0.982 1.00 3.23 O ATOM 1172 ND2 ASN A 75 7.726 -10.434 -0.018 1.00 51.13 N ATOM 0 H ASN A 75 7.509 -9.173 -5.347 1.00 11.35 H new ATOM 0 HA ASN A 75 6.754 -11.379 -3.592 1.00 3.15 H new ATOM 0 HB2 ASN A 75 8.625 -10.096 -2.370 1.00 3.34 H new ATOM 0 HB3 ASN A 75 7.570 -8.696 -2.372 1.00 3.34 H new ATOM 0 HD21 ASN A 75 7.342 -10.762 0.868 1.00 51.13 H new ATOM 0 HD22 ASN A 75 8.723 -10.232 -0.098 1.00 51.13 H new ATOM 1179 N PRO A 76 4.526 -10.433 -4.516 1.00 24.11 N ATOM 1180 CA PRO A 76 3.080 -10.059 -4.542 1.00 1.40 C ATOM 1181 C PRO A 76 2.369 -10.385 -3.197 1.00 63.45 C ATOM 1182 O PRO A 76 1.281 -9.864 -2.920 1.00 71.41 O ATOM 1183 CB PRO A 76 2.525 -10.922 -5.704 1.00 3.35 C ATOM 1184 CG PRO A 76 3.386 -12.151 -5.688 1.00 10.44 C ATOM 1185 CD PRO A 76 4.776 -11.677 -5.306 1.00 25.22 C ATOM 0 HA PRO A 76 2.919 -8.990 -4.681 1.00 1.40 H new ATOM 0 HB2 PRO A 76 1.474 -11.169 -5.551 1.00 3.35 H new ATOM 0 HB3 PRO A 76 2.594 -10.399 -6.658 1.00 3.35 H new ATOM 0 HG2 PRO A 76 3.011 -12.882 -4.971 1.00 10.44 H new ATOM 0 HG3 PRO A 76 3.393 -12.636 -6.664 1.00 10.44 H new ATOM 0 HD2 PRO A 76 5.305 -12.425 -4.716 1.00 25.22 H new ATOM 0 HD3 PRO A 76 5.386 -11.475 -6.187 1.00 25.22 H new ATOM 1193 N ASP A 77 3.014 -11.242 -2.365 1.00 34.55 N ATOM 1194 CA ASP A 77 2.516 -11.632 -1.025 1.00 52.03 C ATOM 1195 C ASP A 77 2.355 -10.401 -0.102 1.00 0.43 C ATOM 1196 O ASP A 77 1.483 -10.383 0.770 1.00 12.03 O ATOM 1197 CB ASP A 77 3.491 -12.642 -0.367 1.00 15.14 C ATOM 1198 CG ASP A 77 3.752 -13.888 -1.225 1.00 55.21 C ATOM 1199 OD1 ASP A 77 4.495 -13.786 -2.229 1.00 41.32 O ATOM 1200 OD2 ASP A 77 3.208 -14.969 -0.912 1.00 2.30 O ATOM 0 H ASP A 77 3.900 -11.684 -2.609 1.00 34.55 H new ATOM 0 HA ASP A 77 1.538 -12.095 -1.158 1.00 52.03 H new ATOM 0 HB2 ASP A 77 4.439 -12.143 -0.168 1.00 15.14 H new ATOM 0 HB3 ASP A 77 3.085 -12.952 0.596 1.00 15.14 H new ATOM 1205 N LEU A 78 3.208 -9.378 -0.326 1.00 73.31 N ATOM 1206 CA LEU A 78 3.199 -8.107 0.426 1.00 55.52 C ATOM 1207 C LEU A 78 1.802 -7.453 0.418 1.00 10.22 C ATOM 1208 O LEU A 78 1.256 -7.118 1.475 1.00 4.44 O ATOM 1209 CB LEU A 78 4.216 -7.114 -0.195 1.00 3.02 C ATOM 1210 CG LEU A 78 4.290 -5.719 0.500 1.00 60.52 C ATOM 1211 CD1 LEU A 78 4.857 -5.843 1.931 1.00 60.21 C ATOM 1212 CD2 LEU A 78 5.079 -4.705 -0.355 1.00 33.23 C ATOM 0 H LEU A 78 3.931 -9.414 -1.044 1.00 73.31 H new ATOM 0 HA LEU A 78 3.474 -8.336 1.456 1.00 55.52 H new ATOM 0 HB2 LEU A 78 5.206 -7.569 -0.168 1.00 3.02 H new ATOM 0 HB3 LEU A 78 3.961 -6.966 -1.244 1.00 3.02 H new ATOM 0 HG LEU A 78 3.275 -5.331 0.589 1.00 60.52 H new ATOM 0 HD11 LEU A 78 4.898 -4.857 2.393 1.00 60.21 H new ATOM 0 HD12 LEU A 78 4.213 -6.494 2.522 1.00 60.21 H new ATOM 0 HD13 LEU A 78 5.861 -6.266 1.889 1.00 60.21 H new ATOM 0 HD21 LEU A 78 5.111 -3.744 0.158 1.00 33.23 H new ATOM 0 HD22 LEU A 78 6.095 -5.070 -0.507 1.00 33.23 H new ATOM 0 HD23 LEU A 78 4.589 -4.584 -1.321 1.00 33.23 H new ATOM 1224 N ARG A 79 1.243 -7.309 -0.799 1.00 21.45 N ATOM 1225 CA ARG A 79 -0.105 -6.755 -1.018 1.00 13.02 C ATOM 1226 C ARG A 79 -1.165 -7.556 -0.225 1.00 60.14 C ATOM 1227 O ARG A 79 -2.029 -6.970 0.430 1.00 43.24 O ATOM 1228 CB ARG A 79 -0.444 -6.774 -2.535 1.00 51.11 C ATOM 1229 CG ARG A 79 -1.810 -6.148 -2.899 1.00 60.34 C ATOM 1230 CD ARG A 79 -2.141 -6.251 -4.397 1.00 65.13 C ATOM 1231 NE ARG A 79 -2.277 -7.646 -4.848 1.00 31.32 N ATOM 1232 CZ ARG A 79 -2.274 -8.040 -6.104 1.00 23.33 C ATOM 1233 NH1 ARG A 79 -2.089 -7.201 -7.077 1.00 11.10 N ATOM 1234 NH2 ARG A 79 -2.445 -9.285 -6.381 1.00 41.30 N ATOM 0 H ARG A 79 1.717 -7.576 -1.662 1.00 21.45 H new ATOM 0 HA ARG A 79 -0.118 -5.725 -0.660 1.00 13.02 H new ATOM 0 HB2 ARG A 79 0.339 -6.243 -3.075 1.00 51.11 H new ATOM 0 HB3 ARG A 79 -0.428 -7.806 -2.884 1.00 51.11 H new ATOM 0 HG2 ARG A 79 -2.594 -6.642 -2.325 1.00 60.34 H new ATOM 0 HG3 ARG A 79 -1.812 -5.099 -2.604 1.00 60.34 H new ATOM 0 HD2 ARG A 79 -3.068 -5.715 -4.599 1.00 65.13 H new ATOM 0 HD3 ARG A 79 -1.357 -5.760 -4.974 1.00 65.13 H new ATOM 0 HE ARG A 79 -2.382 -8.364 -4.131 1.00 31.32 H new ATOM 0 HH11 ARG A 79 -1.942 -6.212 -6.876 1.00 11.10 H new ATOM 0 HH12 ARG A 79 -2.091 -7.531 -8.042 1.00 11.10 H new ATOM 0 HH21 ARG A 79 -2.582 -9.961 -5.629 1.00 41.30 H new ATOM 0 HH22 ARG A 79 -2.444 -9.596 -7.352 1.00 41.30 H new ATOM 1248 N ARG A 80 -1.028 -8.899 -0.255 1.00 2.44 N ATOM 1249 CA ARG A 80 -1.970 -9.829 0.408 1.00 34.23 C ATOM 1250 C ARG A 80 -1.973 -9.641 1.950 1.00 40.13 C ATOM 1251 O ARG A 80 -3.032 -9.659 2.579 1.00 62.54 O ATOM 1252 CB ARG A 80 -1.629 -11.306 0.057 1.00 33.30 C ATOM 1253 CG ARG A 80 -1.360 -11.579 -1.446 1.00 32.25 C ATOM 1254 CD ARG A 80 -1.621 -13.040 -1.840 1.00 55.42 C ATOM 1255 NE ARG A 80 -3.059 -13.341 -1.758 1.00 63.15 N ATOM 1256 CZ ARG A 80 -3.616 -14.529 -1.777 1.00 5.05 C ATOM 1257 NH1 ARG A 80 -2.909 -15.619 -1.742 1.00 44.31 N ATOM 1258 NH2 ARG A 80 -4.906 -14.600 -1.816 1.00 31.42 N ATOM 0 H ARG A 80 -0.263 -9.369 -0.738 1.00 2.44 H new ATOM 0 HA ARG A 80 -2.967 -9.595 0.035 1.00 34.23 H new ATOM 0 HB2 ARG A 80 -0.750 -11.605 0.628 1.00 33.30 H new ATOM 0 HB3 ARG A 80 -2.453 -11.941 0.384 1.00 33.30 H new ATOM 0 HG2 ARG A 80 -1.992 -10.926 -2.048 1.00 32.25 H new ATOM 0 HG3 ARG A 80 -0.326 -11.324 -1.678 1.00 32.25 H new ATOM 0 HD2 ARG A 80 -1.262 -13.220 -2.853 1.00 55.42 H new ATOM 0 HD3 ARG A 80 -1.065 -13.707 -1.181 1.00 55.42 H new ATOM 0 HE ARG A 80 -3.689 -12.543 -1.678 1.00 63.15 H new ATOM 0 HH11 ARG A 80 -1.891 -15.566 -1.698 1.00 44.31 H new ATOM 0 HH12 ARG A 80 -3.372 -16.528 -1.758 1.00 44.31 H new ATOM 0 HH21 ARG A 80 -5.464 -13.746 -1.831 1.00 31.42 H new ATOM 0 HH22 ARG A 80 -5.366 -15.510 -1.832 1.00 31.42 H new ATOM 1272 N ASN A 81 -0.764 -9.456 2.531 1.00 42.43 N ATOM 1273 CA ASN A 81 -0.585 -9.193 3.982 1.00 52.52 C ATOM 1274 C ASN A 81 -1.272 -7.878 4.416 1.00 75.21 C ATOM 1275 O ASN A 81 -1.912 -7.821 5.473 1.00 71.15 O ATOM 1276 CB ASN A 81 0.918 -9.141 4.367 1.00 64.04 C ATOM 1277 CG ASN A 81 1.606 -10.508 4.349 1.00 73.32 C ATOM 1278 OD1 ASN A 81 1.495 -11.275 5.300 1.00 32.44 O ATOM 1279 ND2 ASN A 81 2.344 -10.817 3.312 1.00 24.43 N ATOM 0 H ASN A 81 0.113 -9.484 2.011 1.00 42.43 H new ATOM 0 HA ASN A 81 -1.058 -10.023 4.508 1.00 52.52 H new ATOM 0 HB2 ASN A 81 1.437 -8.474 3.679 1.00 64.04 H new ATOM 0 HB3 ASN A 81 1.014 -8.709 5.363 1.00 64.04 H new ATOM 0 HD21 ASN A 81 2.839 -11.709 3.286 1.00 24.43 H new ATOM 0 HD22 ASN A 81 2.424 -10.166 2.531 1.00 24.43 H new ATOM 1286 N VAL A 82 -1.122 -6.830 3.591 1.00 14.04 N ATOM 1287 CA VAL A 82 -1.723 -5.503 3.857 1.00 64.14 C ATOM 1288 C VAL A 82 -3.280 -5.566 3.784 1.00 34.32 C ATOM 1289 O VAL A 82 -3.979 -4.968 4.611 1.00 1.35 O ATOM 1290 CB VAL A 82 -1.150 -4.421 2.857 1.00 52.11 C ATOM 1291 CG1 VAL A 82 -1.809 -3.035 3.046 1.00 25.24 C ATOM 1292 CG2 VAL A 82 0.392 -4.312 2.993 1.00 62.12 C ATOM 0 H VAL A 82 -0.585 -6.872 2.725 1.00 14.04 H new ATOM 0 HA VAL A 82 -1.452 -5.206 4.870 1.00 64.14 H new ATOM 0 HB VAL A 82 -1.395 -4.758 1.850 1.00 52.11 H new ATOM 0 HG11 VAL A 82 -1.380 -2.328 2.335 1.00 25.24 H new ATOM 0 HG12 VAL A 82 -2.882 -3.116 2.874 1.00 25.24 H new ATOM 0 HG13 VAL A 82 -1.630 -2.682 4.062 1.00 25.24 H new ATOM 0 HG21 VAL A 82 0.767 -3.562 2.296 1.00 62.12 H new ATOM 0 HG22 VAL A 82 0.648 -4.021 4.012 1.00 62.12 H new ATOM 0 HG23 VAL A 82 0.846 -5.277 2.767 1.00 62.12 H new ATOM 1302 N LEU A 83 -3.798 -6.334 2.802 1.00 43.45 N ATOM 1303 CA LEU A 83 -5.254 -6.573 2.625 1.00 71.34 C ATOM 1304 C LEU A 83 -5.847 -7.427 3.783 1.00 74.02 C ATOM 1305 O LEU A 83 -7.008 -7.248 4.168 1.00 22.23 O ATOM 1306 CB LEU A 83 -5.505 -7.268 1.258 1.00 20.25 C ATOM 1307 CG LEU A 83 -5.125 -6.436 -0.016 1.00 63.03 C ATOM 1308 CD1 LEU A 83 -5.154 -7.304 -1.290 1.00 21.31 C ATOM 1309 CD2 LEU A 83 -6.038 -5.201 -0.180 1.00 32.01 C ATOM 0 H LEU A 83 -3.221 -6.808 2.107 1.00 43.45 H new ATOM 0 HA LEU A 83 -5.759 -5.607 2.644 1.00 71.34 H new ATOM 0 HB2 LEU A 83 -4.943 -8.202 1.239 1.00 20.25 H new ATOM 0 HB3 LEU A 83 -6.561 -7.530 1.195 1.00 20.25 H new ATOM 0 HG LEU A 83 -4.104 -6.084 0.128 1.00 63.03 H new ATOM 0 HD11 LEU A 83 -4.885 -6.694 -2.152 1.00 21.31 H new ATOM 0 HD12 LEU A 83 -4.441 -8.123 -1.189 1.00 21.31 H new ATOM 0 HD13 LEU A 83 -6.156 -7.710 -1.431 1.00 21.31 H new ATOM 0 HD21 LEU A 83 -5.746 -4.648 -1.073 1.00 32.01 H new ATOM 0 HD22 LEU A 83 -7.074 -5.525 -0.277 1.00 32.01 H new ATOM 0 HD23 LEU A 83 -5.939 -4.557 0.694 1.00 32.01 H new ATOM 1321 N CYS A 84 -5.033 -8.360 4.318 1.00 71.20 N ATOM 1322 CA CYS A 84 -5.418 -9.223 5.470 1.00 40.52 C ATOM 1323 C CYS A 84 -5.242 -8.503 6.828 1.00 44.10 C ATOM 1324 O CYS A 84 -5.740 -8.976 7.854 1.00 4.23 O ATOM 1325 CB CYS A 84 -4.583 -10.525 5.464 1.00 4.34 C ATOM 1326 SG CYS A 84 -4.833 -11.565 4.004 1.00 22.21 S ATOM 0 H CYS A 84 -4.092 -8.541 3.970 1.00 71.20 H new ATOM 0 HA CYS A 84 -6.476 -9.458 5.353 1.00 40.52 H new ATOM 0 HB2 CYS A 84 -3.527 -10.265 5.534 1.00 4.34 H new ATOM 0 HB3 CYS A 84 -4.828 -11.104 6.354 1.00 4.34 H new ATOM 0 HG CYS A 84 -4.115 -11.111 3.020 1.00 22.21 H new ATOM 1332 N GLY A 85 -4.517 -7.367 6.822 1.00 35.54 N ATOM 1333 CA GLY A 85 -4.215 -6.614 8.048 1.00 33.53 C ATOM 1334 C GLY A 85 -3.105 -7.236 8.911 1.00 55.32 C ATOM 1335 O GLY A 85 -2.964 -6.879 10.088 1.00 60.30 O ATOM 0 H GLY A 85 -4.129 -6.952 5.975 1.00 35.54 H new ATOM 0 HA2 GLY A 85 -3.923 -5.600 7.776 1.00 33.53 H new ATOM 0 HA3 GLY A 85 -5.123 -6.535 8.646 1.00 33.53 H new ATOM 1339 N ALA A 86 -2.325 -8.169 8.321 1.00 44.42 N ATOM 1340 CA ALA A 86 -1.145 -8.779 8.970 1.00 4.03 C ATOM 1341 C ALA A 86 -0.055 -7.709 9.219 1.00 23.23 C ATOM 1342 O ALA A 86 0.368 -7.475 10.357 1.00 45.03 O ATOM 1343 CB ALA A 86 -0.613 -9.929 8.104 1.00 11.11 C ATOM 0 H ALA A 86 -2.497 -8.520 7.379 1.00 44.42 H new ATOM 0 HA ALA A 86 -1.436 -9.187 9.938 1.00 4.03 H new ATOM 0 HB1 ALA A 86 0.257 -10.375 8.586 1.00 11.11 H new ATOM 0 HB2 ALA A 86 -1.390 -10.684 7.985 1.00 11.11 H new ATOM 0 HB3 ALA A 86 -0.327 -9.545 7.125 1.00 11.11 H new ATOM 1349 N ILE A 87 0.393 -7.071 8.127 1.00 20.21 N ATOM 1350 CA ILE A 87 1.130 -5.791 8.182 1.00 11.33 C ATOM 1351 C ILE A 87 0.104 -4.677 7.913 1.00 53.33 C ATOM 1352 O ILE A 87 -0.518 -4.661 6.839 1.00 51.31 O ATOM 1353 CB ILE A 87 2.309 -5.708 7.118 1.00 3.31 C ATOM 1354 CG1 ILE A 87 3.450 -6.747 7.414 1.00 35.53 C ATOM 1355 CG2 ILE A 87 2.905 -4.278 7.037 1.00 73.23 C ATOM 1356 CD1 ILE A 87 3.084 -8.198 7.149 1.00 23.30 C ATOM 0 H ILE A 87 0.257 -7.424 7.180 1.00 20.21 H new ATOM 0 HA ILE A 87 1.601 -5.692 9.160 1.00 11.33 H new ATOM 0 HB ILE A 87 1.867 -5.958 6.153 1.00 3.31 H new ATOM 0 HG12 ILE A 87 4.319 -6.491 6.808 1.00 35.53 H new ATOM 0 HG13 ILE A 87 3.748 -6.648 8.458 1.00 35.53 H new ATOM 0 HG21 ILE A 87 3.708 -4.260 6.300 1.00 73.23 H new ATOM 0 HG22 ILE A 87 2.126 -3.575 6.742 1.00 73.23 H new ATOM 0 HG23 ILE A 87 3.301 -3.993 8.012 1.00 73.23 H new ATOM 0 HD11 ILE A 87 3.936 -8.837 7.383 1.00 23.30 H new ATOM 0 HD12 ILE A 87 2.237 -8.480 7.774 1.00 23.30 H new ATOM 0 HD13 ILE A 87 2.817 -8.320 6.099 1.00 23.30 H new ATOM 1368 N THR A 88 -0.092 -3.761 8.878 1.00 30.15 N ATOM 1369 CA THR A 88 -1.098 -2.686 8.728 1.00 32.44 C ATOM 1370 C THR A 88 -0.619 -1.647 7.692 1.00 34.24 C ATOM 1371 O THR A 88 0.587 -1.404 7.570 1.00 31.21 O ATOM 1372 CB THR A 88 -1.424 -1.953 10.079 1.00 72.22 C ATOM 1373 OG1 THR A 88 -0.311 -1.155 10.507 1.00 74.14 O ATOM 1374 CG2 THR A 88 -1.799 -2.949 11.194 1.00 42.32 C ATOM 0 H THR A 88 0.422 -3.740 9.758 1.00 30.15 H new ATOM 0 HA THR A 88 -2.014 -3.170 8.389 1.00 32.44 H new ATOM 0 HB THR A 88 -2.282 -1.308 9.891 1.00 72.22 H new ATOM 0 HG1 THR A 88 -0.535 -0.706 11.349 1.00 74.14 H new ATOM 0 HG21 THR A 88 -2.017 -2.403 12.112 1.00 42.32 H new ATOM 0 HG22 THR A 88 -2.678 -3.518 10.893 1.00 42.32 H new ATOM 0 HG23 THR A 88 -0.967 -3.631 11.367 1.00 42.32 H new ATOM 1382 N PRO A 89 -1.550 -1.046 6.891 1.00 73.52 N ATOM 1383 CA PRO A 89 -1.209 0.061 5.958 1.00 20.43 C ATOM 1384 C PRO A 89 -0.480 1.270 6.633 1.00 62.21 C ATOM 1385 O PRO A 89 0.204 2.049 5.953 1.00 0.12 O ATOM 1386 CB PRO A 89 -2.579 0.467 5.387 1.00 53.32 C ATOM 1387 CG PRO A 89 -3.429 -0.763 5.488 1.00 43.32 C ATOM 1388 CD PRO A 89 -2.982 -1.447 6.760 1.00 43.15 C ATOM 0 HA PRO A 89 -0.491 -0.260 5.203 1.00 20.43 H new ATOM 0 HB2 PRO A 89 -3.012 1.292 5.953 1.00 53.32 H new ATOM 0 HB3 PRO A 89 -2.491 0.801 4.353 1.00 53.32 H new ATOM 0 HG2 PRO A 89 -4.488 -0.508 5.529 1.00 43.32 H new ATOM 0 HG3 PRO A 89 -3.290 -1.411 4.622 1.00 43.32 H new ATOM 0 HD2 PRO A 89 -3.570 -1.121 7.618 1.00 43.15 H new ATOM 0 HD3 PRO A 89 -3.090 -2.529 6.692 1.00 43.15 H new ATOM 1396 N GLN A 90 -0.630 1.398 7.972 1.00 4.34 N ATOM 1397 CA GLN A 90 0.116 2.386 8.791 1.00 72.11 C ATOM 1398 C GLN A 90 1.629 2.012 8.813 1.00 10.45 C ATOM 1399 O GLN A 90 2.500 2.865 8.577 1.00 31.14 O ATOM 1400 CB GLN A 90 -0.487 2.431 10.244 1.00 52.03 C ATOM 1401 CG GLN A 90 -0.236 3.732 11.060 1.00 13.35 C ATOM 1402 CD GLN A 90 1.218 3.956 11.513 1.00 44.32 C ATOM 1403 OE1 GLN A 90 1.620 3.532 12.586 1.00 21.33 O ATOM 1404 NE2 GLN A 90 2.010 4.647 10.717 1.00 42.04 N ATOM 0 H GLN A 90 -1.271 0.820 8.516 1.00 4.34 H new ATOM 0 HA GLN A 90 0.020 3.380 8.354 1.00 72.11 H new ATOM 0 HB2 GLN A 90 -1.564 2.276 10.172 1.00 52.03 H new ATOM 0 HB3 GLN A 90 -0.081 1.591 10.808 1.00 52.03 H new ATOM 0 HG2 GLN A 90 -0.546 4.585 10.456 1.00 13.35 H new ATOM 0 HG3 GLN A 90 -0.876 3.716 11.943 1.00 13.35 H new ATOM 0 HE21 GLN A 90 1.659 4.994 9.824 1.00 42.04 H new ATOM 0 HE22 GLN A 90 2.974 4.835 10.994 1.00 42.04 H new ATOM 1413 N GLN A 91 1.915 0.712 9.062 1.00 41.13 N ATOM 1414 CA GLN A 91 3.294 0.163 9.062 1.00 15.54 C ATOM 1415 C GLN A 91 3.966 0.311 7.679 1.00 52.33 C ATOM 1416 O GLN A 91 5.075 0.825 7.580 1.00 73.33 O ATOM 1417 CB GLN A 91 3.295 -1.345 9.451 1.00 0.12 C ATOM 1418 CG GLN A 91 2.802 -1.664 10.874 1.00 40.23 C ATOM 1419 CD GLN A 91 2.681 -3.171 11.156 1.00 14.42 C ATOM 1420 OE1 GLN A 91 3.427 -3.986 10.620 1.00 75.02 O ATOM 1421 NE2 GLN A 91 1.731 -3.556 11.986 1.00 61.21 N ATOM 0 H GLN A 91 1.199 0.015 9.268 1.00 41.13 H new ATOM 0 HA GLN A 91 3.857 0.736 9.798 1.00 15.54 H new ATOM 0 HB2 GLN A 91 2.671 -1.886 8.740 1.00 0.12 H new ATOM 0 HB3 GLN A 91 4.309 -1.729 9.342 1.00 0.12 H new ATOM 0 HG2 GLN A 91 3.488 -1.221 11.596 1.00 40.23 H new ATOM 0 HG3 GLN A 91 1.831 -1.194 11.028 1.00 40.23 H new ATOM 0 HE21 GLN A 91 1.122 -2.863 12.421 1.00 61.21 H new ATOM 0 HE22 GLN A 91 1.605 -4.547 12.193 1.00 61.21 H new ATOM 1430 N ILE A 92 3.266 -0.131 6.617 1.00 23.12 N ATOM 1431 CA ILE A 92 3.856 -0.252 5.265 1.00 3.33 C ATOM 1432 C ILE A 92 4.331 1.118 4.695 1.00 52.55 C ATOM 1433 O ILE A 92 5.318 1.180 3.950 1.00 43.11 O ATOM 1434 CB ILE A 92 2.864 -0.975 4.267 1.00 73.10 C ATOM 1435 CG1 ILE A 92 3.624 -1.560 3.037 1.00 31.33 C ATOM 1436 CG2 ILE A 92 1.722 -0.044 3.801 1.00 53.33 C ATOM 1437 CD1 ILE A 92 4.697 -2.571 3.400 1.00 62.55 C ATOM 0 H ILE A 92 2.287 -0.412 6.667 1.00 23.12 H new ATOM 0 HA ILE A 92 4.745 -0.874 5.368 1.00 3.33 H new ATOM 0 HB ILE A 92 2.412 -1.799 4.820 1.00 73.10 H new ATOM 0 HG12 ILE A 92 2.904 -2.033 2.369 1.00 31.33 H new ATOM 0 HG13 ILE A 92 4.083 -0.741 2.483 1.00 31.33 H new ATOM 0 HG21 ILE A 92 1.067 -0.585 3.118 1.00 53.33 H new ATOM 0 HG22 ILE A 92 1.148 0.289 4.666 1.00 53.33 H new ATOM 0 HG23 ILE A 92 2.144 0.822 3.290 1.00 53.33 H new ATOM 0 HD11 ILE A 92 5.180 -2.931 2.492 1.00 62.55 H new ATOM 0 HD12 ILE A 92 5.440 -2.098 4.043 1.00 62.55 H new ATOM 0 HD13 ILE A 92 4.243 -3.410 3.927 1.00 62.55 H new ATOM 1449 N ALA A 93 3.641 2.204 5.102 1.00 72.54 N ATOM 1450 CA ALA A 93 3.962 3.584 4.677 1.00 5.12 C ATOM 1451 C ALA A 93 5.340 4.070 5.217 1.00 32.34 C ATOM 1452 O ALA A 93 6.035 4.842 4.542 1.00 35.11 O ATOM 1453 CB ALA A 93 2.835 4.541 5.108 1.00 15.33 C ATOM 0 H ALA A 93 2.844 2.149 5.736 1.00 72.54 H new ATOM 0 HA ALA A 93 4.038 3.583 3.590 1.00 5.12 H new ATOM 0 HB1 ALA A 93 3.078 5.555 4.792 1.00 15.33 H new ATOM 0 HB2 ALA A 93 1.898 4.231 4.645 1.00 15.33 H new ATOM 0 HB3 ALA A 93 2.730 4.514 6.193 1.00 15.33 H new ATOM 1459 N VAL A 94 5.722 3.610 6.433 1.00 25.53 N ATOM 1460 CA VAL A 94 7.034 3.943 7.055 1.00 33.00 C ATOM 1461 C VAL A 94 8.116 2.863 6.767 1.00 75.04 C ATOM 1462 O VAL A 94 9.319 3.140 6.888 1.00 31.54 O ATOM 1463 CB VAL A 94 6.903 4.186 8.617 1.00 63.14 C ATOM 1464 CG1 VAL A 94 5.926 5.341 8.918 1.00 13.41 C ATOM 1465 CG2 VAL A 94 6.488 2.908 9.392 1.00 52.13 C ATOM 0 H VAL A 94 5.138 3.003 7.008 1.00 25.53 H new ATOM 0 HA VAL A 94 7.360 4.873 6.590 1.00 33.00 H new ATOM 0 HB VAL A 94 7.897 4.463 8.969 1.00 63.14 H new ATOM 0 HG11 VAL A 94 5.855 5.486 9.996 1.00 13.41 H new ATOM 0 HG12 VAL A 94 6.290 6.257 8.452 1.00 13.41 H new ATOM 0 HG13 VAL A 94 4.941 5.098 8.519 1.00 13.41 H new ATOM 0 HG21 VAL A 94 6.414 3.135 10.455 1.00 52.13 H new ATOM 0 HG22 VAL A 94 5.522 2.559 9.028 1.00 52.13 H new ATOM 0 HG23 VAL A 94 7.236 2.130 9.238 1.00 52.13 H new ATOM 1475 N MET A 95 7.688 1.638 6.380 1.00 20.02 N ATOM 1476 CA MET A 95 8.615 0.517 6.063 1.00 51.40 C ATOM 1477 C MET A 95 9.506 0.815 4.829 1.00 42.35 C ATOM 1478 O MET A 95 9.032 1.347 3.813 1.00 32.43 O ATOM 1479 CB MET A 95 7.831 -0.808 5.840 1.00 71.14 C ATOM 1480 CG MET A 95 7.266 -1.437 7.116 1.00 4.34 C ATOM 1481 SD MET A 95 6.278 -2.919 6.791 1.00 71.31 S ATOM 1482 CE MET A 95 7.447 -3.996 5.953 1.00 4.30 C ATOM 0 H MET A 95 6.702 1.397 6.278 1.00 20.02 H new ATOM 0 HA MET A 95 9.271 0.406 6.926 1.00 51.40 H new ATOM 0 HB2 MET A 95 7.009 -0.617 5.150 1.00 71.14 H new ATOM 0 HB3 MET A 95 8.491 -1.528 5.357 1.00 71.14 H new ATOM 0 HG2 MET A 95 8.088 -1.694 7.784 1.00 4.34 H new ATOM 0 HG3 MET A 95 6.651 -0.703 7.636 1.00 4.34 H new ATOM 0 HE1 MET A 95 7.042 -5.007 5.908 1.00 4.30 H new ATOM 0 HE2 MET A 95 7.620 -3.629 4.941 1.00 4.30 H new ATOM 0 HE3 MET A 95 8.389 -4.007 6.501 1.00 4.30 H new ATOM 1492 N THR A 96 10.796 0.452 4.951 1.00 42.03 N ATOM 1493 CA THR A 96 11.806 0.609 3.886 1.00 53.12 C ATOM 1494 C THR A 96 11.507 -0.343 2.697 1.00 64.12 C ATOM 1495 O THR A 96 11.013 -1.450 2.906 1.00 34.14 O ATOM 1496 CB THR A 96 13.244 0.312 4.452 1.00 74.40 C ATOM 1497 OG1 THR A 96 13.453 1.035 5.681 1.00 44.23 O ATOM 1498 CG2 THR A 96 14.362 0.683 3.456 1.00 14.10 C ATOM 0 H THR A 96 11.172 0.036 5.803 1.00 42.03 H new ATOM 0 HA THR A 96 11.764 1.638 3.529 1.00 53.12 H new ATOM 0 HB THR A 96 13.295 -0.762 4.628 1.00 74.40 H new ATOM 0 HG1 THR A 96 13.043 0.544 6.423 1.00 44.23 H new ATOM 0 HG21 THR A 96 15.333 0.457 3.898 1.00 14.10 H new ATOM 0 HG22 THR A 96 14.238 0.107 2.539 1.00 14.10 H new ATOM 0 HG23 THR A 96 14.306 1.747 3.226 1.00 14.10 H new ATOM 1506 N SER A 97 11.848 0.089 1.468 1.00 25.10 N ATOM 1507 CA SER A 97 11.551 -0.654 0.208 1.00 13.23 C ATOM 1508 C SER A 97 11.997 -2.138 0.244 1.00 41.04 C ATOM 1509 O SER A 97 11.229 -3.033 -0.139 1.00 54.21 O ATOM 1510 CB SER A 97 12.216 0.063 -0.989 1.00 61.14 C ATOM 1511 OG SER A 97 13.624 0.169 -0.812 1.00 42.55 O ATOM 0 H SER A 97 12.341 0.968 1.310 1.00 25.10 H new ATOM 0 HA SER A 97 10.467 -0.659 0.098 1.00 13.23 H new ATOM 0 HB2 SER A 97 12.003 -0.484 -1.907 1.00 61.14 H new ATOM 0 HB3 SER A 97 11.786 1.058 -1.104 1.00 61.14 H new ATOM 0 HG SER A 97 14.017 0.625 -1.585 1.00 42.55 H new ATOM 1517 N GLU A 98 13.224 -2.385 0.736 1.00 20.35 N ATOM 1518 CA GLU A 98 13.786 -3.748 0.836 1.00 5.45 C ATOM 1519 C GLU A 98 13.022 -4.639 1.849 1.00 53.32 C ATOM 1520 O GLU A 98 12.657 -5.757 1.511 1.00 62.44 O ATOM 1521 CB GLU A 98 15.288 -3.701 1.201 1.00 60.15 C ATOM 1522 CG GLU A 98 16.181 -2.980 0.170 1.00 34.21 C ATOM 1523 CD GLU A 98 17.683 -3.138 0.464 1.00 20.10 C ATOM 1524 OE1 GLU A 98 18.231 -2.343 1.250 1.00 74.13 O ATOM 1525 OE2 GLU A 98 18.308 -4.076 -0.072 1.00 51.02 O ATOM 0 H GLU A 98 13.851 -1.654 1.073 1.00 20.35 H new ATOM 0 HA GLU A 98 13.668 -4.201 -0.148 1.00 5.45 H new ATOM 0 HB2 GLU A 98 15.398 -3.206 2.166 1.00 60.15 H new ATOM 0 HB3 GLU A 98 15.650 -4.722 1.324 1.00 60.15 H new ATOM 0 HG2 GLU A 98 15.968 -3.371 -0.825 1.00 34.21 H new ATOM 0 HG3 GLU A 98 15.928 -1.920 0.156 1.00 34.21 H new ATOM 1532 N GLU A 99 12.758 -4.128 3.080 1.00 44.44 N ATOM 1533 CA GLU A 99 12.084 -4.932 4.145 1.00 73.42 C ATOM 1534 C GLU A 99 10.619 -5.281 3.775 1.00 25.12 C ATOM 1535 O GLU A 99 10.013 -6.160 4.387 1.00 52.30 O ATOM 1536 CB GLU A 99 12.130 -4.218 5.527 1.00 75.40 C ATOM 1537 CG GLU A 99 11.239 -2.968 5.639 1.00 60.52 C ATOM 1538 CD GLU A 99 11.212 -2.345 7.045 1.00 64.13 C ATOM 1539 OE1 GLU A 99 10.485 -2.865 7.920 1.00 33.00 O ATOM 1540 OE2 GLU A 99 11.895 -1.324 7.268 1.00 51.05 O ATOM 0 H GLU A 99 12.996 -3.177 3.361 1.00 44.44 H new ATOM 0 HA GLU A 99 12.645 -5.864 4.221 1.00 73.42 H new ATOM 0 HB2 GLU A 99 11.832 -4.929 6.297 1.00 75.40 H new ATOM 0 HB3 GLU A 99 13.160 -3.932 5.738 1.00 75.40 H new ATOM 0 HG2 GLU A 99 11.589 -2.220 4.928 1.00 60.52 H new ATOM 0 HG3 GLU A 99 10.222 -3.232 5.350 1.00 60.52 H new ATOM 1547 N MET A 100 10.051 -4.559 2.789 1.00 24.32 N ATOM 1548 CA MET A 100 8.718 -4.877 2.234 1.00 30.14 C ATOM 1549 C MET A 100 8.752 -6.194 1.402 1.00 73.21 C ATOM 1550 O MET A 100 7.974 -7.125 1.648 1.00 62.42 O ATOM 1551 CB MET A 100 8.178 -3.711 1.348 1.00 21.00 C ATOM 1552 CG MET A 100 8.082 -2.337 2.033 1.00 11.42 C ATOM 1553 SD MET A 100 7.045 -1.155 1.126 1.00 42.22 S ATOM 1554 CE MET A 100 7.758 -1.177 -0.524 1.00 11.21 C ATOM 0 H MET A 100 10.496 -3.748 2.358 1.00 24.32 H new ATOM 0 HA MET A 100 8.045 -5.013 3.080 1.00 30.14 H new ATOM 0 HB2 MET A 100 8.823 -3.616 0.474 1.00 21.00 H new ATOM 0 HB3 MET A 100 7.187 -3.985 0.985 1.00 21.00 H new ATOM 0 HG2 MET A 100 7.680 -2.467 3.038 1.00 11.42 H new ATOM 0 HG3 MET A 100 9.084 -1.922 2.142 1.00 11.42 H new ATOM 0 HE1 MET A 100 7.959 -0.156 -0.847 1.00 11.21 H new ATOM 0 HE2 MET A 100 8.689 -1.743 -0.510 1.00 11.21 H new ATOM 0 HE3 MET A 100 7.059 -1.645 -1.216 1.00 11.21 H new ATOM 1564 N ALA A 101 9.690 -6.261 0.443 1.00 73.22 N ATOM 1565 CA ALA A 101 9.714 -7.312 -0.603 1.00 41.31 C ATOM 1566 C ALA A 101 10.691 -8.485 -0.309 1.00 24.52 C ATOM 1567 O ALA A 101 10.569 -9.555 -0.917 1.00 43.53 O ATOM 1568 CB ALA A 101 10.047 -6.653 -1.946 1.00 34.02 C ATOM 0 H ALA A 101 10.455 -5.591 0.366 1.00 73.22 H new ATOM 0 HA ALA A 101 8.725 -7.770 -0.625 1.00 41.31 H new ATOM 0 HB1 ALA A 101 10.069 -7.412 -2.728 1.00 34.02 H new ATOM 0 HB2 ALA A 101 9.287 -5.908 -2.184 1.00 34.02 H new ATOM 0 HB3 ALA A 101 11.022 -6.169 -1.882 1.00 34.02 H new ATOM 1574 N SER A 102 11.652 -8.289 0.611 1.00 55.23 N ATOM 1575 CA SER A 102 12.678 -9.319 0.929 1.00 51.51 C ATOM 1576 C SER A 102 12.096 -10.413 1.846 1.00 62.45 C ATOM 1577 O SER A 102 12.004 -10.232 3.069 1.00 21.53 O ATOM 1578 CB SER A 102 13.930 -8.676 1.584 1.00 74.54 C ATOM 1579 OG SER A 102 14.935 -9.642 1.883 1.00 2.14 O ATOM 0 H SER A 102 11.746 -7.429 1.152 1.00 55.23 H new ATOM 0 HA SER A 102 12.982 -9.782 -0.009 1.00 51.51 H new ATOM 0 HB2 SER A 102 14.341 -7.921 0.914 1.00 74.54 H new ATOM 0 HB3 SER A 102 13.636 -8.164 2.500 1.00 74.54 H new ATOM 0 HG SER A 102 15.800 -9.193 1.986 1.00 2.14 H new ATOM 1585 N ASP A 103 11.686 -11.545 1.232 1.00 13.31 N ATOM 1586 CA ASP A 103 11.134 -12.710 1.964 1.00 10.43 C ATOM 1587 C ASP A 103 12.205 -13.359 2.885 1.00 13.13 C ATOM 1588 O ASP A 103 11.864 -13.972 3.904 1.00 11.30 O ATOM 1589 CB ASP A 103 10.560 -13.748 0.970 1.00 71.42 C ATOM 1590 CG ASP A 103 9.749 -14.867 1.652 1.00 61.34 C ATOM 1591 OD1 ASP A 103 8.558 -14.644 1.956 1.00 74.30 O ATOM 1592 OD2 ASP A 103 10.299 -15.962 1.903 1.00 34.40 O ATOM 0 H ASP A 103 11.727 -11.678 0.222 1.00 13.31 H new ATOM 0 HA ASP A 103 10.324 -12.355 2.602 1.00 10.43 H new ATOM 0 HB2 ASP A 103 9.923 -13.236 0.249 1.00 71.42 H new ATOM 0 HB3 ASP A 103 11.381 -14.195 0.409 1.00 71.42 H new ATOM 1597 N GLU A 104 13.495 -13.195 2.514 1.00 70.12 N ATOM 1598 CA GLU A 104 14.644 -13.607 3.353 1.00 64.53 C ATOM 1599 C GLU A 104 14.586 -12.938 4.750 1.00 54.43 C ATOM 1600 O GLU A 104 14.779 -13.594 5.765 1.00 62.42 O ATOM 1601 CB GLU A 104 15.978 -13.255 2.642 1.00 62.13 C ATOM 1602 CG GLU A 104 16.172 -13.934 1.265 1.00 13.22 C ATOM 1603 CD GLU A 104 17.492 -13.547 0.569 1.00 23.00 C ATOM 1604 OE1 GLU A 104 17.545 -12.472 -0.068 1.00 2.42 O ATOM 1605 OE2 GLU A 104 18.482 -14.310 0.665 1.00 74.12 O ATOM 0 H GLU A 104 13.769 -12.774 1.626 1.00 70.12 H new ATOM 0 HA GLU A 104 14.591 -14.686 3.495 1.00 64.53 H new ATOM 0 HB2 GLU A 104 16.030 -12.174 2.510 1.00 62.13 H new ATOM 0 HB3 GLU A 104 16.806 -13.537 3.292 1.00 62.13 H new ATOM 0 HG2 GLU A 104 16.143 -15.016 1.395 1.00 13.22 H new ATOM 0 HG3 GLU A 104 15.337 -13.668 0.617 1.00 13.22 H new ATOM 1612 N LEU A 105 14.277 -11.631 4.788 1.00 33.32 N ATOM 1613 CA LEU A 105 14.136 -10.884 6.059 1.00 25.42 C ATOM 1614 C LEU A 105 12.834 -11.253 6.822 1.00 62.15 C ATOM 1615 O LEU A 105 12.765 -11.105 8.047 1.00 14.12 O ATOM 1616 CB LEU A 105 14.201 -9.366 5.790 1.00 44.11 C ATOM 1617 CG LEU A 105 15.537 -8.852 5.155 1.00 0.14 C ATOM 1618 CD1 LEU A 105 15.526 -7.318 4.997 1.00 2.13 C ATOM 1619 CD2 LEU A 105 16.775 -9.326 5.963 1.00 14.42 C ATOM 0 H LEU A 105 14.119 -11.065 3.954 1.00 33.32 H new ATOM 0 HA LEU A 105 14.968 -11.171 6.702 1.00 25.42 H new ATOM 0 HB2 LEU A 105 13.377 -9.096 5.129 1.00 44.11 H new ATOM 0 HB3 LEU A 105 14.040 -8.840 6.731 1.00 44.11 H new ATOM 0 HG LEU A 105 15.613 -9.289 4.159 1.00 0.14 H new ATOM 0 HD11 LEU A 105 16.467 -6.991 4.554 1.00 2.13 H new ATOM 0 HD12 LEU A 105 14.699 -7.025 4.351 1.00 2.13 H new ATOM 0 HD13 LEU A 105 15.405 -6.852 5.975 1.00 2.13 H new ATOM 0 HD21 LEU A 105 17.683 -8.950 5.492 1.00 14.42 H new ATOM 0 HD22 LEU A 105 16.711 -8.946 6.983 1.00 14.42 H new ATOM 0 HD23 LEU A 105 16.801 -10.416 5.983 1.00 14.42 H new ATOM 1631 N LYS A 106 11.809 -11.743 6.082 1.00 54.14 N ATOM 1632 CA LYS A 106 10.511 -12.159 6.676 1.00 53.45 C ATOM 1633 C LYS A 106 10.645 -13.477 7.473 1.00 41.02 C ATOM 1634 O LYS A 106 9.928 -13.680 8.452 1.00 21.02 O ATOM 1635 CB LYS A 106 9.410 -12.305 5.577 1.00 52.15 C ATOM 1636 CG LYS A 106 9.197 -11.093 4.621 1.00 62.30 C ATOM 1637 CD LYS A 106 8.657 -9.794 5.294 1.00 62.22 C ATOM 1638 CE LYS A 106 9.754 -8.937 5.949 1.00 51.25 C ATOM 1639 NZ LYS A 106 9.221 -7.677 6.523 1.00 31.52 N ATOM 0 H LYS A 106 11.855 -11.861 5.070 1.00 54.14 H new ATOM 0 HA LYS A 106 10.210 -11.373 7.369 1.00 53.45 H new ATOM 0 HB2 LYS A 106 9.652 -13.177 4.969 1.00 52.15 H new ATOM 0 HB3 LYS A 106 8.462 -12.515 6.073 1.00 52.15 H new ATOM 0 HG2 LYS A 106 10.146 -10.863 4.137 1.00 62.30 H new ATOM 0 HG3 LYS A 106 8.502 -11.390 3.835 1.00 62.30 H new ATOM 0 HD2 LYS A 106 8.139 -9.195 4.545 1.00 62.22 H new ATOM 0 HD3 LYS A 106 7.920 -10.066 6.050 1.00 62.22 H new ATOM 0 HE2 LYS A 106 10.241 -9.514 6.735 1.00 51.25 H new ATOM 0 HE3 LYS A 106 10.518 -8.701 5.208 1.00 51.25 H new ATOM 0 HZ1 LYS A 106 9.789 -7.405 7.350 1.00 31.52 H new ATOM 0 HZ2 LYS A 106 9.267 -6.923 5.808 1.00 31.52 H new ATOM 0 HZ3 LYS A 106 8.233 -7.819 6.814 1.00 31.52 H new ATOM 1653 N GLU A 107 11.560 -14.366 7.034 1.00 74.02 N ATOM 1654 CA GLU A 107 11.862 -15.640 7.742 1.00 44.32 C ATOM 1655 C GLU A 107 12.971 -15.453 8.823 1.00 43.54 C ATOM 1656 O GLU A 107 13.044 -16.222 9.787 1.00 12.33 O ATOM 1657 CB GLU A 107 12.238 -16.753 6.717 1.00 74.45 C ATOM 1658 CG GLU A 107 13.447 -16.428 5.825 1.00 61.43 C ATOM 1659 CD GLU A 107 13.692 -17.469 4.720 1.00 42.32 C ATOM 1660 OE1 GLU A 107 13.035 -17.391 3.660 1.00 74.35 O ATOM 1661 OE2 GLU A 107 14.537 -18.372 4.909 1.00 73.54 O ATOM 0 H GLU A 107 12.110 -14.228 6.186 1.00 74.02 H new ATOM 0 HA GLU A 107 10.962 -15.955 8.271 1.00 44.32 H new ATOM 0 HB2 GLU A 107 12.444 -17.674 7.262 1.00 74.45 H new ATOM 0 HB3 GLU A 107 11.375 -16.946 6.079 1.00 74.45 H new ATOM 0 HG2 GLU A 107 13.297 -15.451 5.366 1.00 61.43 H new ATOM 0 HG3 GLU A 107 14.339 -16.354 6.448 1.00 61.43 H new ATOM 1668 N ILE A 108 13.829 -14.422 8.654 1.00 24.31 N ATOM 1669 CA ILE A 108 14.843 -14.022 9.680 1.00 15.12 C ATOM 1670 C ILE A 108 14.185 -13.231 10.862 1.00 62.20 C ATOM 1671 O ILE A 108 14.779 -13.109 11.941 1.00 0.33 O ATOM 1672 CB ILE A 108 16.027 -13.197 8.998 1.00 75.41 C ATOM 1673 CG1 ILE A 108 16.827 -14.109 8.004 1.00 2.25 C ATOM 1674 CG2 ILE A 108 16.995 -12.543 10.025 1.00 3.21 C ATOM 1675 CD1 ILE A 108 17.501 -15.325 8.632 1.00 64.11 C ATOM 0 H ILE A 108 13.846 -13.843 7.814 1.00 24.31 H new ATOM 0 HA ILE A 108 15.270 -14.928 10.110 1.00 15.12 H new ATOM 0 HB ILE A 108 15.556 -12.380 8.451 1.00 75.41 H new ATOM 0 HG12 ILE A 108 16.147 -14.453 7.225 1.00 2.25 H new ATOM 0 HG13 ILE A 108 17.590 -13.503 7.515 1.00 2.25 H new ATOM 0 HG21 ILE A 108 17.775 -11.998 9.494 1.00 3.21 H new ATOM 0 HG22 ILE A 108 16.439 -11.853 10.661 1.00 3.21 H new ATOM 0 HG23 ILE A 108 17.449 -13.319 10.642 1.00 3.21 H new ATOM 0 HD11 ILE A 108 18.027 -15.888 7.861 1.00 64.11 H new ATOM 0 HD12 ILE A 108 18.212 -14.996 9.390 1.00 64.11 H new ATOM 0 HD13 ILE A 108 16.746 -15.961 9.095 1.00 64.11 H new ATOM 1687 N ARG A 109 12.927 -12.766 10.661 1.00 34.50 N ATOM 1688 CA ARG A 109 12.165 -11.959 11.657 1.00 53.22 C ATOM 1689 C ARG A 109 12.112 -12.609 13.075 1.00 72.00 C ATOM 1690 O ARG A 109 12.214 -11.902 14.087 1.00 3.43 O ATOM 1691 CB ARG A 109 10.730 -11.667 11.129 1.00 11.25 C ATOM 1692 CG ARG A 109 9.867 -10.793 12.072 1.00 42.34 C ATOM 1693 CD ARG A 109 10.501 -9.414 12.366 1.00 23.40 C ATOM 1694 NE ARG A 109 9.878 -8.759 13.537 1.00 23.13 N ATOM 1695 CZ ARG A 109 10.507 -8.415 14.648 1.00 74.25 C ATOM 1696 NH1 ARG A 109 11.768 -8.673 14.825 1.00 41.34 N ATOM 1697 NH2 ARG A 109 9.857 -7.824 15.594 1.00 11.21 N ATOM 0 H ARG A 109 12.407 -12.939 9.801 1.00 34.50 H new ATOM 0 HA ARG A 109 12.707 -11.021 11.777 1.00 53.22 H new ATOM 0 HB2 ARG A 109 10.806 -11.170 10.162 1.00 11.25 H new ATOM 0 HB3 ARG A 109 10.218 -12.614 10.962 1.00 11.25 H new ATOM 0 HG2 ARG A 109 8.884 -10.647 11.624 1.00 42.34 H new ATOM 0 HG3 ARG A 109 9.714 -11.324 13.011 1.00 42.34 H new ATOM 0 HD2 ARG A 109 11.569 -9.536 12.544 1.00 23.40 H new ATOM 0 HD3 ARG A 109 10.395 -8.772 11.492 1.00 23.40 H new ATOM 0 HE ARG A 109 8.880 -8.556 13.483 1.00 23.13 H new ATOM 0 HH11 ARG A 109 12.298 -9.152 14.097 1.00 41.34 H new ATOM 0 HH12 ARG A 109 12.228 -8.396 15.692 1.00 41.34 H new ATOM 0 HH21 ARG A 109 8.863 -7.625 15.482 1.00 11.21 H new ATOM 0 HH22 ARG A 109 10.338 -7.557 16.453 1.00 11.21 H new ATOM 1711 N LYS A 110 11.944 -13.943 13.142 1.00 54.00 N ATOM 1712 CA LYS A 110 12.005 -14.684 14.426 1.00 61.10 C ATOM 1713 C LYS A 110 13.465 -14.821 14.930 1.00 14.25 C ATOM 1714 O LYS A 110 13.810 -14.273 15.983 1.00 40.11 O ATOM 1715 CB LYS A 110 11.336 -16.084 14.292 1.00 25.42 C ATOM 1716 CG LYS A 110 9.817 -16.048 14.003 1.00 14.41 C ATOM 1717 CD LYS A 110 9.015 -15.311 15.101 1.00 54.21 C ATOM 1718 CE LYS A 110 7.503 -15.251 14.804 1.00 0.34 C ATOM 1719 NZ LYS A 110 6.767 -14.519 15.869 1.00 51.32 N ATOM 0 H LYS A 110 11.765 -14.532 12.329 1.00 54.00 H new ATOM 0 HA LYS A 110 11.449 -14.108 15.166 1.00 61.10 H new ATOM 0 HB2 LYS A 110 11.832 -16.634 13.492 1.00 25.42 H new ATOM 0 HB3 LYS A 110 11.504 -16.642 15.213 1.00 25.42 H new ATOM 0 HG2 LYS A 110 9.646 -15.559 13.044 1.00 14.41 H new ATOM 0 HG3 LYS A 110 9.445 -17.068 13.911 1.00 14.41 H new ATOM 0 HD2 LYS A 110 9.173 -15.812 16.056 1.00 54.21 H new ATOM 0 HD3 LYS A 110 9.400 -14.297 15.205 1.00 54.21 H new ATOM 0 HE2 LYS A 110 7.339 -14.761 13.844 1.00 0.34 H new ATOM 0 HE3 LYS A 110 7.108 -16.263 14.717 1.00 0.34 H new ATOM 0 HZ1 LYS A 110 5.753 -14.497 15.638 1.00 51.32 H new ATOM 0 HZ2 LYS A 110 6.904 -15.001 16.780 1.00 51.32 H new ATOM 0 HZ3 LYS A 110 7.128 -13.546 15.934 1.00 51.32 H new ATOM 1733 N ALA A 111 14.304 -15.542 14.145 1.00 54.01 N ATOM 1734 CA ALA A 111 15.722 -15.855 14.484 1.00 20.42 C ATOM 1735 C ALA A 111 15.876 -16.692 15.793 1.00 33.03 C ATOM 1736 O ALA A 111 14.878 -17.062 16.430 1.00 32.03 O ATOM 1737 CB ALA A 111 16.569 -14.565 14.533 1.00 72.00 C ATOM 0 H ALA A 111 14.015 -15.929 13.247 1.00 54.01 H new ATOM 0 HA ALA A 111 16.101 -16.490 13.683 1.00 20.42 H new ATOM 0 HB1 ALA A 111 17.600 -14.816 14.782 1.00 72.00 H new ATOM 0 HB2 ALA A 111 16.540 -14.073 13.561 1.00 72.00 H new ATOM 0 HB3 ALA A 111 16.166 -13.894 15.291 1.00 72.00 H new ATOM 1743 N MET A 112 17.148 -17.025 16.148 1.00 14.35 N ATOM 1744 CA MET A 112 17.508 -17.761 17.402 1.00 13.43 C ATOM 1745 C MET A 112 16.793 -19.155 17.468 1.00 52.11 C ATOM 1746 O MET A 112 16.429 -19.652 18.544 1.00 30.14 O ATOM 1747 CB MET A 112 17.195 -16.862 18.647 1.00 15.45 C ATOM 1748 CG MET A 112 17.804 -17.332 19.980 1.00 71.01 C ATOM 1749 SD MET A 112 17.314 -16.284 21.369 1.00 24.22 S ATOM 1750 CE MET A 112 18.207 -17.037 22.732 1.00 22.01 C ATOM 0 H MET A 112 17.958 -16.792 15.573 1.00 14.35 H new ATOM 0 HA MET A 112 18.578 -17.971 17.403 1.00 13.43 H new ATOM 0 HB2 MET A 112 17.551 -15.853 18.442 1.00 15.45 H new ATOM 0 HB3 MET A 112 16.113 -16.800 18.765 1.00 15.45 H new ATOM 0 HG2 MET A 112 17.494 -18.359 20.176 1.00 71.01 H new ATOM 0 HG3 MET A 112 18.891 -17.337 19.898 1.00 71.01 H new ATOM 0 HE1 MET A 112 17.996 -16.491 23.651 1.00 22.01 H new ATOM 0 HE2 MET A 112 17.891 -18.074 22.846 1.00 22.01 H new ATOM 0 HE3 MET A 112 19.277 -17.004 22.528 1.00 22.01 H new ATOM 1760 N THR A 113 16.653 -19.793 16.289 1.00 3.32 N ATOM 1761 CA THR A 113 15.896 -21.060 16.113 1.00 42.34 C ATOM 1762 C THR A 113 16.591 -22.262 16.823 1.00 31.24 C ATOM 1763 O THR A 113 17.701 -22.657 16.402 1.00 38.11 O ATOM 1764 CB THR A 113 15.694 -21.368 14.587 1.00 75.22 C ATOM 1765 OG1 THR A 113 15.126 -20.215 13.941 1.00 61.33 O ATOM 1766 CG2 THR A 113 14.782 -22.593 14.336 1.00 3.32 C ATOM 1767 OXT THR A 113 16.021 -22.802 17.798 1.00 38.11 O ATOM 0 H THR A 113 17.063 -19.445 15.422 1.00 3.32 H new ATOM 0 HA THR A 113 14.922 -20.925 16.583 1.00 42.34 H new ATOM 0 HB THR A 113 16.674 -21.604 14.173 1.00 75.22 H new ATOM 0 HG1 THR A 113 15.000 -20.403 12.988 1.00 61.33 H new ATOM 0 HG21 THR A 113 14.680 -22.757 13.263 1.00 3.32 H new ATOM 0 HG22 THR A 113 15.224 -23.476 14.797 1.00 3.32 H new ATOM 0 HG23 THR A 113 13.799 -22.410 14.771 1.00 3.32 H new TER 1775 THR A 113