USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 50 ASN : amide:sc= -1.72 X(o=-1.9,f=-2.3!) USER MOD Set 1.2: A 87 ASN : amide:sc= -0.948 K(o=-1.9,f=-9.9!) USER MOD Set 1.3: A 89 ASN : amide:sc= 0.771 K(o=-1.9,f=-5.3) USER MOD Set 2.1: A 83 SER OG : rot -170:sc= 1.04 USER MOD Set 2.2: A 85 THR OG1 : rot -77:sc= 1.17 USER MOD Set 2.3: A 86 THR OG1 : rot 80:sc= 0.981 USER MOD Set 3.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 66 ASN : amide:sc= -3.7 K(o=-3.7,f=-2.3) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 103:sc= 0.174 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00811 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 16:sc= 1.08 USER MOD Single : A 25 SER OG : rot 180:sc= 0.159 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00874 USER MOD Single : A 42 THR OG1 : rot 32:sc= 1.22 USER MOD Single : A 46 GLN : amide:sc= -0.689 K(o=-0.69,f=-3!) USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= -1.11 (180deg=-2.27!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.66 K(o=-2.7,f=-4.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -52:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.870 -1.847 -2.992 1.00 42.10 N ATOM 12 CA ILE A 2 3.409 -3.145 -3.376 1.00 63.45 C ATOM 13 C ILE A 2 4.708 -2.991 -4.161 1.00 32.21 C ATOM 14 O ILE A 2 5.227 -1.885 -4.311 1.00 74.12 O ATOM 15 CB ILE A 2 2.402 -3.944 -4.225 1.00 21.34 C ATOM 16 CG1 ILE A 2 2.155 -3.240 -5.560 1.00 51.11 C ATOM 17 CG2 ILE A 2 1.096 -4.125 -3.465 1.00 62.22 C ATOM 18 CD1 ILE A 2 1.199 -3.983 -6.467 1.00 42.24 C ATOM 0 HA ILE A 2 3.607 -3.690 -2.453 1.00 63.45 H new ATOM 0 HB ILE A 2 2.821 -4.929 -4.428 1.00 21.34 H new ATOM 0 HG12 ILE A 2 1.760 -2.243 -5.368 1.00 51.11 H new ATOM 0 HG13 ILE A 2 3.107 -3.112 -6.076 1.00 51.11 H new ATOM 0 HG21 ILE A 2 0.394 -4.691 -4.077 1.00 62.22 H new ATOM 0 HG22 ILE A 2 1.287 -4.665 -2.538 1.00 62.22 H new ATOM 0 HG23 ILE A 2 0.671 -3.148 -3.235 1.00 62.22 H new ATOM 0 HD11 ILE A 2 1.071 -3.426 -7.395 1.00 42.24 H new ATOM 0 HD12 ILE A 2 1.602 -4.971 -6.689 1.00 42.24 H new ATOM 0 HD13 ILE A 2 0.234 -4.088 -5.971 1.00 42.24 H new ATOM 30 N SER A 3 5.227 -4.108 -4.661 1.00 30.02 N ATOM 31 CA SER A 3 6.466 -4.098 -5.429 1.00 5.21 C ATOM 32 C SER A 3 6.178 -3.997 -6.924 1.00 4.02 C ATOM 33 O SER A 3 5.620 -4.916 -7.524 1.00 24.11 O ATOM 34 CB SER A 3 7.281 -5.360 -5.139 1.00 44.30 C ATOM 35 OG SER A 3 7.999 -5.235 -3.923 1.00 72.33 O ATOM 0 H SER A 3 4.808 -5.031 -4.548 1.00 30.02 H new ATOM 0 HA SER A 3 7.044 -3.224 -5.128 1.00 5.21 H new ATOM 0 HB2 SER A 3 6.616 -6.222 -5.085 1.00 44.30 H new ATOM 0 HB3 SER A 3 7.976 -5.544 -5.958 1.00 44.30 H new ATOM 0 HG SER A 3 8.510 -6.055 -3.759 1.00 72.33 H new ATOM 41 N CYS A 4 6.563 -2.873 -7.519 1.00 70.25 N ATOM 42 CA CYS A 4 6.347 -2.649 -8.944 1.00 32.42 C ATOM 43 C CYS A 4 6.919 -3.799 -9.768 1.00 70.10 C ATOM 44 O CYS A 4 6.413 -4.118 -10.843 1.00 32.41 O ATOM 45 CB CYS A 4 6.987 -1.329 -9.377 1.00 12.12 C ATOM 46 SG CYS A 4 6.112 -0.489 -10.736 1.00 72.10 S ATOM 0 H CYS A 4 7.026 -2.103 -7.037 1.00 70.25 H new ATOM 0 HA CYS A 4 5.272 -2.599 -9.120 1.00 32.42 H new ATOM 0 HB2 CYS A 4 7.030 -0.659 -8.518 1.00 12.12 H new ATOM 0 HB3 CYS A 4 8.015 -1.520 -9.684 1.00 12.12 H new ATOM 51 N GLY A 5 7.978 -4.418 -9.255 1.00 44.23 N ATOM 52 CA GLY A 5 8.602 -5.525 -9.956 1.00 41.12 C ATOM 53 C GLY A 5 7.710 -6.749 -10.016 1.00 64.23 C ATOM 54 O GLY A 5 7.821 -7.562 -10.934 1.00 3.31 O ATOM 0 H GLY A 5 8.415 -4.173 -8.367 1.00 44.23 H new ATOM 0 HA2 GLY A 5 8.855 -5.213 -10.969 1.00 41.12 H new ATOM 0 HA3 GLY A 5 9.537 -5.785 -9.460 1.00 41.12 H new ATOM 58 N ALA A 6 6.825 -6.883 -9.035 1.00 15.13 N ATOM 59 CA ALA A 6 5.910 -8.017 -8.980 1.00 2.31 C ATOM 60 C ALA A 6 4.659 -7.754 -9.812 1.00 4.02 C ATOM 61 O ALA A 6 3.969 -8.686 -10.225 1.00 44.11 O ATOM 62 CB ALA A 6 5.533 -8.321 -7.538 1.00 32.32 C ATOM 0 H ALA A 6 6.722 -6.220 -8.267 1.00 15.13 H new ATOM 0 HA ALA A 6 6.419 -8.884 -9.401 1.00 2.31 H new ATOM 0 HB1 ALA A 6 4.850 -9.170 -7.512 1.00 32.32 H new ATOM 0 HB2 ALA A 6 6.432 -8.561 -6.970 1.00 32.32 H new ATOM 0 HB3 ALA A 6 5.047 -7.450 -7.098 1.00 32.32 H new ATOM 68 N VAL A 7 4.372 -6.479 -10.054 1.00 1.24 N ATOM 69 CA VAL A 7 3.204 -6.093 -10.837 1.00 22.53 C ATOM 70 C VAL A 7 3.349 -6.530 -12.290 1.00 74.32 C ATOM 71 O VAL A 7 2.478 -7.209 -12.836 1.00 61.11 O ATOM 72 CB VAL A 7 2.975 -4.571 -10.790 1.00 75.20 C ATOM 73 CG1 VAL A 7 1.704 -4.200 -11.539 1.00 12.51 C ATOM 74 CG2 VAL A 7 2.916 -4.086 -9.350 1.00 14.44 C ATOM 0 H VAL A 7 4.933 -5.695 -9.719 1.00 1.24 H new ATOM 0 HA VAL A 7 2.344 -6.596 -10.393 1.00 22.53 H new ATOM 0 HB VAL A 7 3.815 -4.079 -11.281 1.00 75.20 H new ATOM 0 HG11 VAL A 7 1.558 -3.121 -11.495 1.00 12.51 H new ATOM 0 HG12 VAL A 7 1.790 -4.513 -12.580 1.00 12.51 H new ATOM 0 HG13 VAL A 7 0.852 -4.700 -11.079 1.00 12.51 H new ATOM 0 HG21 VAL A 7 2.754 -3.008 -9.335 1.00 14.44 H new ATOM 0 HG22 VAL A 7 2.096 -4.583 -8.832 1.00 14.44 H new ATOM 0 HG23 VAL A 7 3.856 -4.318 -8.849 1.00 14.44 H new ATOM 84 N THR A 8 4.455 -6.137 -12.914 1.00 0.24 N ATOM 85 CA THR A 8 4.714 -6.487 -14.304 1.00 42.34 C ATOM 86 C THR A 8 5.078 -7.961 -14.442 1.00 2.41 C ATOM 87 O THR A 8 4.703 -8.614 -15.415 1.00 60.31 O ATOM 88 CB THR A 8 5.850 -5.632 -14.897 1.00 4.45 C ATOM 89 OG1 THR A 8 7.075 -5.896 -14.203 1.00 71.01 O ATOM 90 CG2 THR A 8 5.518 -4.150 -14.802 1.00 60.14 C ATOM 0 H THR A 8 5.186 -5.575 -12.478 1.00 0.24 H new ATOM 0 HA THR A 8 3.795 -6.289 -14.855 1.00 42.34 H new ATOM 0 HB THR A 8 5.963 -5.897 -15.948 1.00 4.45 H new ATOM 0 HG1 THR A 8 7.793 -5.350 -14.587 1.00 71.01 H new ATOM 0 HG21 THR A 8 6.335 -3.566 -15.227 1.00 60.14 H new ATOM 0 HG22 THR A 8 4.601 -3.946 -15.354 1.00 60.14 H new ATOM 0 HG23 THR A 8 5.381 -3.874 -13.756 1.00 60.14 H new ATOM 98 N SER A 9 5.811 -8.478 -13.461 1.00 72.41 N ATOM 99 CA SER A 9 6.228 -9.876 -13.475 1.00 3.44 C ATOM 100 C SER A 9 5.018 -10.804 -13.496 1.00 32.05 C ATOM 101 O SER A 9 4.988 -11.786 -14.237 1.00 31.51 O ATOM 102 CB SER A 9 7.099 -10.182 -12.254 1.00 51.54 C ATOM 103 OG SER A 9 8.469 -9.957 -12.537 1.00 3.15 O ATOM 0 H SER A 9 6.128 -7.951 -12.647 1.00 72.41 H new ATOM 0 HA SER A 9 6.810 -10.047 -14.380 1.00 3.44 H new ATOM 0 HB2 SER A 9 6.790 -9.557 -11.417 1.00 51.54 H new ATOM 0 HB3 SER A 9 6.953 -11.218 -11.949 1.00 51.54 H new ATOM 0 HG SER A 9 8.749 -9.105 -12.143 1.00 3.15 H new ATOM 109 N ASP A 10 4.022 -10.485 -12.677 1.00 33.35 N ATOM 110 CA ASP A 10 2.807 -11.289 -12.600 1.00 63.25 C ATOM 111 C ASP A 10 2.109 -11.348 -13.955 1.00 53.23 C ATOM 112 O ASP A 10 1.328 -12.261 -14.224 1.00 75.50 O ATOM 113 CB ASP A 10 1.857 -10.718 -11.547 1.00 1.20 C ATOM 114 CG ASP A 10 2.349 -10.956 -10.133 1.00 64.21 C ATOM 115 OD1 ASP A 10 3.201 -11.850 -9.944 1.00 33.43 O ATOM 116 OD2 ASP A 10 1.884 -10.248 -9.216 1.00 61.00 O ATOM 0 H ASP A 10 4.032 -9.675 -12.057 1.00 33.35 H new ATOM 0 HA ASP A 10 3.088 -12.302 -12.312 1.00 63.25 H new ATOM 0 HB2 ASP A 10 1.738 -9.647 -11.712 1.00 1.20 H new ATOM 0 HB3 ASP A 10 0.872 -11.170 -11.667 1.00 1.20 H new ATOM 121 N LEU A 11 2.394 -10.367 -14.805 1.00 32.30 N ATOM 122 CA LEU A 11 1.792 -10.306 -16.133 1.00 21.24 C ATOM 123 C LEU A 11 2.800 -10.706 -17.206 1.00 14.51 C ATOM 124 O LEU A 11 2.598 -10.438 -18.391 1.00 22.45 O ATOM 125 CB LEU A 11 1.265 -8.897 -16.411 1.00 32.53 C ATOM 126 CG LEU A 11 -0.017 -8.504 -15.676 1.00 53.53 C ATOM 127 CD1 LEU A 11 -0.512 -7.148 -16.156 1.00 52.10 C ATOM 128 CD2 LEU A 11 -1.091 -9.565 -15.871 1.00 3.54 C ATOM 0 H LEU A 11 3.038 -9.603 -14.598 1.00 32.30 H new ATOM 0 HA LEU A 11 0.960 -11.010 -16.161 1.00 21.24 H new ATOM 0 HB2 LEU A 11 2.044 -8.181 -16.150 1.00 32.53 H new ATOM 0 HB3 LEU A 11 1.090 -8.801 -17.483 1.00 32.53 H new ATOM 0 HG LEU A 11 0.205 -8.432 -14.611 1.00 53.53 H new ATOM 0 HD11 LEU A 11 -1.425 -6.884 -15.622 1.00 52.10 H new ATOM 0 HD12 LEU A 11 0.251 -6.394 -15.965 1.00 52.10 H new ATOM 0 HD13 LEU A 11 -0.717 -7.193 -17.226 1.00 52.10 H new ATOM 0 HD21 LEU A 11 -1.996 -9.268 -15.341 1.00 3.54 H new ATOM 0 HD22 LEU A 11 -1.311 -9.669 -16.934 1.00 3.54 H new ATOM 0 HD23 LEU A 11 -0.736 -10.518 -15.478 1.00 3.54 H new ATOM 140 N SER A 12 3.883 -11.349 -16.783 1.00 43.41 N ATOM 141 CA SER A 12 4.923 -11.784 -17.708 1.00 4.21 C ATOM 142 C SER A 12 4.338 -12.662 -18.810 1.00 11.23 C ATOM 143 O SER A 12 4.434 -12.357 -19.999 1.00 12.23 O ATOM 144 CB SER A 12 6.016 -12.548 -16.957 1.00 74.13 C ATOM 145 OG SER A 12 6.547 -13.592 -17.755 1.00 23.15 O ATOM 0 H SER A 12 4.063 -11.580 -15.806 1.00 43.41 H new ATOM 0 HA SER A 12 5.360 -10.897 -18.168 1.00 4.21 H new ATOM 0 HB2 SER A 12 6.814 -11.862 -16.672 1.00 74.13 H new ATOM 0 HB3 SER A 12 5.607 -12.962 -16.035 1.00 74.13 H new ATOM 0 HG SER A 12 7.244 -14.064 -17.254 1.00 23.15 H new ATOM 151 N PRO A 13 3.716 -13.780 -18.406 1.00 42.25 N ATOM 152 CA PRO A 13 3.102 -14.726 -19.343 1.00 1.21 C ATOM 153 C PRO A 13 1.855 -14.155 -20.009 1.00 34.12 C ATOM 154 O PRO A 13 1.368 -14.693 -21.004 1.00 21.22 O ATOM 155 CB PRO A 13 2.736 -15.917 -18.455 1.00 23.54 C ATOM 156 CG PRO A 13 2.579 -15.339 -17.091 1.00 22.13 C ATOM 157 CD PRO A 13 3.564 -14.206 -17.005 1.00 63.32 C ATOM 0 HA PRO A 13 3.772 -14.979 -20.165 1.00 1.21 H new ATOM 0 HB2 PRO A 13 1.815 -16.393 -18.791 1.00 23.54 H new ATOM 0 HB3 PRO A 13 3.515 -16.679 -18.475 1.00 23.54 H new ATOM 0 HG2 PRO A 13 1.561 -14.984 -16.933 1.00 22.13 H new ATOM 0 HG3 PRO A 13 2.778 -16.088 -16.325 1.00 22.13 H new ATOM 0 HD2 PRO A 13 3.192 -13.397 -16.377 1.00 63.32 H new ATOM 0 HD3 PRO A 13 4.513 -14.530 -16.578 1.00 63.32 H new ATOM 165 N CYS A 14 1.341 -13.062 -19.454 1.00 61.13 N ATOM 166 CA CYS A 14 0.150 -12.418 -19.994 1.00 50.40 C ATOM 167 C CYS A 14 0.521 -11.406 -21.075 1.00 21.14 C ATOM 168 O CYS A 14 -0.257 -11.150 -21.995 1.00 22.23 O ATOM 169 CB CYS A 14 -0.630 -11.723 -18.876 1.00 75.12 C ATOM 170 SG CYS A 14 -1.168 -12.839 -17.541 1.00 32.15 S ATOM 0 H CYS A 14 1.731 -12.604 -18.630 1.00 61.13 H new ATOM 0 HA CYS A 14 -0.478 -13.188 -20.442 1.00 50.40 H new ATOM 0 HB2 CYS A 14 -0.009 -10.936 -18.449 1.00 75.12 H new ATOM 0 HB3 CYS A 14 -1.507 -11.239 -19.306 1.00 75.12 H new ATOM 175 N LEU A 15 1.714 -10.834 -20.957 1.00 22.04 N ATOM 176 CA LEU A 15 2.190 -9.850 -21.923 1.00 70.31 C ATOM 177 C LEU A 15 1.921 -10.315 -23.351 1.00 24.43 C ATOM 178 O LEU A 15 1.510 -9.529 -24.205 1.00 31.51 O ATOM 179 CB LEU A 15 3.686 -9.598 -21.730 1.00 24.54 C ATOM 180 CG LEU A 15 4.218 -8.270 -22.267 1.00 44.43 C ATOM 181 CD1 LEU A 15 3.451 -7.104 -21.663 1.00 42.22 C ATOM 182 CD2 LEU A 15 5.707 -8.136 -21.981 1.00 61.23 C ATOM 0 H LEU A 15 2.370 -11.035 -20.202 1.00 22.04 H new ATOM 0 HA LEU A 15 1.647 -8.920 -21.755 1.00 70.31 H new ATOM 0 HB2 LEU A 15 3.908 -9.651 -20.664 1.00 24.54 H new ATOM 0 HB3 LEU A 15 4.235 -10.407 -22.211 1.00 24.54 H new ATOM 0 HG LEU A 15 4.073 -8.253 -23.347 1.00 44.43 H new ATOM 0 HD11 LEU A 15 3.844 -6.167 -22.057 1.00 42.22 H new ATOM 0 HD12 LEU A 15 2.395 -7.191 -21.919 1.00 42.22 H new ATOM 0 HD13 LEU A 15 3.563 -7.117 -20.579 1.00 42.22 H new ATOM 0 HD21 LEU A 15 6.068 -7.184 -22.371 1.00 61.23 H new ATOM 0 HD22 LEU A 15 5.876 -8.175 -20.905 1.00 61.23 H new ATOM 0 HD23 LEU A 15 6.245 -8.953 -22.462 1.00 61.23 H new ATOM 194 N THR A 16 2.155 -11.600 -23.603 1.00 51.31 N ATOM 195 CA THR A 16 1.937 -12.170 -24.926 1.00 64.34 C ATOM 196 C THR A 16 0.520 -11.898 -25.417 1.00 10.44 C ATOM 197 O THR A 16 0.320 -11.197 -26.409 1.00 60.23 O ATOM 198 CB THR A 16 2.186 -13.690 -24.930 1.00 63.45 C ATOM 199 OG1 THR A 16 3.549 -13.965 -24.586 1.00 51.32 O ATOM 200 CG2 THR A 16 1.873 -14.286 -26.295 1.00 33.55 C ATOM 0 H THR A 16 2.495 -12.265 -22.908 1.00 51.31 H new ATOM 0 HA THR A 16 2.649 -11.690 -25.597 1.00 64.34 H new ATOM 0 HB THR A 16 1.526 -14.145 -24.191 1.00 63.45 H new ATOM 0 HG1 THR A 16 3.698 -14.934 -24.589 1.00 51.32 H new ATOM 0 HG21 THR A 16 2.056 -15.360 -26.274 1.00 33.55 H new ATOM 0 HG22 THR A 16 0.828 -14.101 -26.542 1.00 33.55 H new ATOM 0 HG23 THR A 16 2.511 -13.824 -27.049 1.00 33.55 H new ATOM 208 N TYR A 17 -0.461 -12.454 -24.715 1.00 21.22 N ATOM 209 CA TYR A 17 -1.861 -12.272 -25.080 1.00 64.11 C ATOM 210 C TYR A 17 -2.255 -10.800 -25.011 1.00 45.22 C ATOM 211 O TYR A 17 -3.102 -10.335 -25.775 1.00 44.21 O ATOM 212 CB TYR A 17 -2.761 -13.096 -24.159 1.00 34.15 C ATOM 213 CG TYR A 17 -4.232 -12.780 -24.308 1.00 53.14 C ATOM 214 CD1 TYR A 17 -4.943 -13.200 -25.426 1.00 61.31 C ATOM 215 CD2 TYR A 17 -4.911 -12.060 -23.333 1.00 54.02 C ATOM 216 CE1 TYR A 17 -6.287 -12.913 -25.568 1.00 22.22 C ATOM 217 CE2 TYR A 17 -6.255 -11.770 -23.466 1.00 14.42 C ATOM 218 CZ TYR A 17 -6.939 -12.198 -24.585 1.00 24.02 C ATOM 219 OH TYR A 17 -8.277 -11.910 -24.721 1.00 51.53 O ATOM 0 H TYR A 17 -0.313 -13.035 -23.890 1.00 21.22 H new ATOM 0 HA TYR A 17 -1.990 -12.616 -26.106 1.00 64.11 H new ATOM 0 HB2 TYR A 17 -2.603 -14.155 -24.363 1.00 34.15 H new ATOM 0 HB3 TYR A 17 -2.464 -12.923 -23.125 1.00 34.15 H new ATOM 0 HD1 TYR A 17 -4.436 -13.761 -26.197 1.00 61.31 H new ATOM 0 HD2 TYR A 17 -4.379 -11.721 -22.456 1.00 54.02 H new ATOM 0 HE1 TYR A 17 -6.824 -13.247 -26.444 1.00 22.22 H new ATOM 0 HE2 TYR A 17 -6.768 -11.211 -22.698 1.00 14.42 H new ATOM 0 HH TYR A 17 -8.583 -11.401 -23.941 1.00 51.53 H new ATOM 229 N LEU A 18 -1.633 -10.071 -24.091 1.00 14.33 N ATOM 230 CA LEU A 18 -1.917 -8.650 -23.921 1.00 11.24 C ATOM 231 C LEU A 18 -1.332 -7.836 -25.071 1.00 32.33 C ATOM 232 O LEU A 18 -1.757 -6.709 -25.328 1.00 72.54 O ATOM 233 CB LEU A 18 -1.351 -8.152 -22.589 1.00 61.35 C ATOM 234 CG LEU A 18 -2.043 -8.673 -21.329 1.00 63.33 C ATOM 235 CD1 LEU A 18 -1.428 -8.050 -20.086 1.00 45.21 C ATOM 236 CD2 LEU A 18 -3.537 -8.391 -21.386 1.00 30.31 C ATOM 0 H LEU A 18 -0.929 -10.440 -23.452 1.00 14.33 H new ATOM 0 HA LEU A 18 -2.999 -8.519 -23.921 1.00 11.24 H new ATOM 0 HB2 LEU A 18 -0.297 -8.426 -22.540 1.00 61.35 H new ATOM 0 HB3 LEU A 18 -1.398 -7.063 -22.581 1.00 61.35 H new ATOM 0 HG LEU A 18 -1.899 -9.752 -21.278 1.00 63.33 H new ATOM 0 HD11 LEU A 18 -1.933 -8.433 -19.199 1.00 45.21 H new ATOM 0 HD12 LEU A 18 -0.369 -8.303 -20.038 1.00 45.21 H new ATOM 0 HD13 LEU A 18 -1.540 -6.967 -20.128 1.00 45.21 H new ATOM 0 HD21 LEU A 18 -4.013 -8.769 -20.481 1.00 30.31 H new ATOM 0 HD22 LEU A 18 -3.702 -7.316 -21.461 1.00 30.31 H new ATOM 0 HD23 LEU A 18 -3.968 -8.886 -22.256 1.00 30.31 H new ATOM 248 N THR A 19 -0.355 -8.416 -25.762 1.00 13.51 N ATOM 249 CA THR A 19 0.287 -7.745 -26.885 1.00 63.53 C ATOM 250 C THR A 19 -0.274 -8.239 -28.214 1.00 23.11 C ATOM 251 O THR A 19 0.407 -8.203 -29.238 1.00 71.21 O ATOM 252 CB THR A 19 1.812 -7.964 -26.872 1.00 41.31 C ATOM 253 OG1 THR A 19 2.106 -9.364 -26.817 1.00 21.10 O ATOM 254 CG2 THR A 19 2.449 -7.259 -25.684 1.00 23.53 C ATOM 0 H THR A 19 0.008 -9.348 -25.563 1.00 13.51 H new ATOM 0 HA THR A 19 0.079 -6.680 -26.779 1.00 63.53 H new ATOM 0 HB THR A 19 2.225 -7.543 -27.789 1.00 41.31 H new ATOM 0 HG1 THR A 19 1.304 -9.876 -27.051 1.00 21.10 H new ATOM 0 HG21 THR A 19 3.526 -7.428 -25.695 1.00 23.53 H new ATOM 0 HG22 THR A 19 2.248 -6.189 -25.745 1.00 23.53 H new ATOM 0 HG23 THR A 19 2.030 -7.654 -24.759 1.00 23.53 H new ATOM 262 N GLY A 20 -1.521 -8.700 -28.190 1.00 42.11 N ATOM 263 CA GLY A 20 -2.152 -9.194 -29.400 1.00 14.23 C ATOM 264 C GLY A 20 -1.893 -10.670 -29.628 1.00 42.42 C ATOM 265 O GLY A 20 -2.418 -11.261 -30.571 1.00 4.31 O ATOM 0 H GLY A 20 -2.105 -8.740 -27.355 1.00 42.11 H new ATOM 0 HA2 GLY A 20 -3.227 -9.022 -29.342 1.00 14.23 H new ATOM 0 HA3 GLY A 20 -1.784 -8.627 -30.255 1.00 14.23 H new ATOM 269 N GLY A 21 -1.078 -11.267 -28.763 1.00 54.22 N ATOM 270 CA GLY A 21 -0.763 -12.677 -28.894 1.00 23.22 C ATOM 271 C GLY A 21 -1.927 -13.570 -28.514 1.00 15.45 C ATOM 272 O GLY A 21 -2.984 -13.101 -28.090 1.00 11.42 O ATOM 0 H GLY A 21 -0.631 -10.799 -27.975 1.00 54.22 H new ATOM 0 HA2 GLY A 21 -0.470 -12.886 -29.923 1.00 23.22 H new ATOM 0 HA3 GLY A 21 0.094 -12.915 -28.264 1.00 23.22 H new ATOM 276 N PRO A 22 -1.741 -14.889 -28.666 1.00 75.11 N ATOM 277 CA PRO A 22 -2.775 -15.877 -28.342 1.00 50.02 C ATOM 278 C PRO A 22 -3.023 -15.986 -26.842 1.00 24.24 C ATOM 279 O PRO A 22 -2.122 -15.756 -26.036 1.00 11.24 O ATOM 280 CB PRO A 22 -2.197 -17.186 -28.886 1.00 31.15 C ATOM 281 CG PRO A 22 -0.722 -16.979 -28.882 1.00 22.44 C ATOM 282 CD PRO A 22 -0.508 -15.518 -29.166 1.00 64.50 C ATOM 0 HA PRO A 22 -3.741 -15.611 -28.770 1.00 50.02 H new ATOM 0 HB2 PRO A 22 -2.480 -18.033 -28.261 1.00 31.15 H new ATOM 0 HB3 PRO A 22 -2.565 -17.394 -29.891 1.00 31.15 H new ATOM 0 HG2 PRO A 22 -0.292 -17.257 -27.920 1.00 22.44 H new ATOM 0 HG3 PRO A 22 -0.239 -17.598 -29.638 1.00 22.44 H new ATOM 0 HD2 PRO A 22 0.375 -15.134 -28.654 1.00 64.50 H new ATOM 0 HD3 PRO A 22 -0.365 -15.332 -30.231 1.00 64.50 H new ATOM 290 N GLY A 23 -4.250 -16.340 -26.473 1.00 13.21 N ATOM 291 CA GLY A 23 -4.594 -16.474 -25.069 1.00 43.43 C ATOM 292 C GLY A 23 -6.018 -16.043 -24.777 1.00 65.42 C ATOM 293 O GLY A 23 -6.866 -15.986 -25.667 1.00 74.21 O ATOM 0 H GLY A 23 -5.013 -16.537 -27.121 1.00 13.21 H new ATOM 0 HA2 GLY A 23 -4.462 -17.512 -24.763 1.00 43.43 H new ATOM 0 HA3 GLY A 23 -3.907 -15.876 -24.471 1.00 43.43 H new ATOM 297 N PRO A 24 -6.296 -15.733 -23.502 1.00 53.05 N ATOM 298 CA PRO A 24 -5.294 -15.798 -22.435 1.00 12.15 C ATOM 299 C PRO A 24 -4.895 -17.231 -22.101 1.00 23.22 C ATOM 300 O PRO A 24 -5.750 -18.097 -21.916 1.00 0.01 O ATOM 301 CB PRO A 24 -6.003 -15.149 -21.243 1.00 71.20 C ATOM 302 CG PRO A 24 -7.455 -15.350 -21.511 1.00 2.31 C ATOM 303 CD PRO A 24 -7.611 -15.295 -23.005 1.00 75.24 C ATOM 0 HA PRO A 24 -4.365 -15.303 -22.718 1.00 12.15 H new ATOM 0 HB2 PRO A 24 -5.706 -15.615 -20.304 1.00 71.20 H new ATOM 0 HB3 PRO A 24 -5.758 -14.090 -21.165 1.00 71.20 H new ATOM 0 HG2 PRO A 24 -7.796 -16.308 -21.118 1.00 2.31 H new ATOM 0 HG3 PRO A 24 -8.052 -14.577 -21.027 1.00 2.31 H new ATOM 0 HD2 PRO A 24 -8.410 -15.951 -23.350 1.00 75.24 H new ATOM 0 HD3 PRO A 24 -7.855 -14.289 -23.347 1.00 75.24 H new ATOM 311 N SER A 25 -3.590 -17.475 -22.025 1.00 12.31 N ATOM 312 CA SER A 25 -3.078 -18.805 -21.717 1.00 5.55 C ATOM 313 C SER A 25 -3.407 -19.194 -20.278 1.00 44.45 C ATOM 314 O SER A 25 -3.744 -18.355 -19.443 1.00 50.40 O ATOM 315 CB SER A 25 -1.564 -18.855 -21.937 1.00 14.41 C ATOM 316 OG SER A 25 -0.865 -18.564 -20.739 1.00 42.44 O ATOM 0 H SER A 25 -2.869 -16.769 -22.172 1.00 12.31 H new ATOM 0 HA SER A 25 -3.560 -19.517 -22.387 1.00 5.55 H new ATOM 0 HB2 SER A 25 -1.278 -19.843 -22.298 1.00 14.41 H new ATOM 0 HB3 SER A 25 -1.282 -18.140 -22.709 1.00 14.41 H new ATOM 0 HG SER A 25 0.100 -18.604 -20.905 1.00 42.44 H new ATOM 322 N PRO A 26 -3.307 -20.498 -19.982 1.00 4.23 N ATOM 323 CA PRO A 26 -3.589 -21.029 -18.645 1.00 24.41 C ATOM 324 C PRO A 26 -2.536 -20.616 -17.623 1.00 2.45 C ATOM 325 O PRO A 26 -2.832 -20.474 -16.437 1.00 11.25 O ATOM 326 CB PRO A 26 -3.564 -22.546 -18.854 1.00 14.42 C ATOM 327 CG PRO A 26 -2.691 -22.750 -20.043 1.00 74.25 C ATOM 328 CD PRO A 26 -2.910 -21.554 -20.928 1.00 41.00 C ATOM 0 HA PRO A 26 -4.533 -20.654 -18.248 1.00 24.41 H new ATOM 0 HB2 PRO A 26 -3.167 -23.060 -17.979 1.00 14.42 H new ATOM 0 HB3 PRO A 26 -4.566 -22.938 -19.027 1.00 14.42 H new ATOM 0 HG2 PRO A 26 -1.644 -22.832 -19.749 1.00 74.25 H new ATOM 0 HG3 PRO A 26 -2.949 -23.673 -20.563 1.00 74.25 H new ATOM 0 HD2 PRO A 26 -2.005 -21.286 -21.473 1.00 41.00 H new ATOM 0 HD3 PRO A 26 -3.686 -21.740 -21.671 1.00 41.00 H new ATOM 336 N GLN A 27 -1.307 -20.423 -18.090 1.00 63.13 N ATOM 337 CA GLN A 27 -0.210 -20.026 -17.215 1.00 53.42 C ATOM 338 C GLN A 27 -0.304 -18.545 -16.863 1.00 52.43 C ATOM 339 O GLN A 27 0.147 -18.118 -15.800 1.00 23.42 O ATOM 340 CB GLN A 27 1.135 -20.319 -17.882 1.00 73.20 C ATOM 341 CG GLN A 27 1.302 -21.771 -18.300 1.00 63.12 C ATOM 342 CD GLN A 27 2.591 -22.014 -19.060 1.00 61.44 C ATOM 343 OE1 GLN A 27 3.573 -22.504 -18.501 1.00 34.12 O ATOM 344 NE2 GLN A 27 2.595 -21.673 -20.344 1.00 3.14 N ATOM 0 H GLN A 27 -1.046 -20.535 -19.070 1.00 63.13 H new ATOM 0 HA GLN A 27 -0.285 -20.606 -16.295 1.00 53.42 H new ATOM 0 HB2 GLN A 27 1.242 -19.682 -18.760 1.00 73.20 H new ATOM 0 HB3 GLN A 27 1.938 -20.053 -17.195 1.00 73.20 H new ATOM 0 HG2 GLN A 27 1.282 -22.405 -17.414 1.00 63.12 H new ATOM 0 HG3 GLN A 27 0.457 -22.066 -18.922 1.00 63.12 H new ATOM 0 HE21 GLN A 27 1.759 -21.270 -20.767 1.00 3.14 H new ATOM 0 HE22 GLN A 27 3.434 -21.814 -20.907 1.00 3.14 H new ATOM 353 N CYS A 28 -0.893 -17.764 -17.763 1.00 41.11 N ATOM 354 CA CYS A 28 -1.046 -16.330 -17.549 1.00 42.00 C ATOM 355 C CYS A 28 -2.119 -16.048 -16.502 1.00 11.34 C ATOM 356 O CYS A 28 -1.893 -15.299 -15.551 1.00 3.32 O ATOM 357 CB CYS A 28 -1.404 -15.632 -18.863 1.00 22.33 C ATOM 358 SG CYS A 28 -2.403 -14.123 -18.655 1.00 62.20 S ATOM 0 H CYS A 28 -1.272 -18.101 -18.648 1.00 41.11 H new ATOM 0 HA CYS A 28 -0.096 -15.939 -17.185 1.00 42.00 H new ATOM 0 HB2 CYS A 28 -0.484 -15.376 -19.389 1.00 22.33 H new ATOM 0 HB3 CYS A 28 -1.949 -16.331 -19.497 1.00 22.33 H new ATOM 363 N CYS A 29 -3.288 -16.653 -16.683 1.00 11.14 N ATOM 364 CA CYS A 29 -4.397 -16.468 -15.755 1.00 13.22 C ATOM 365 C CYS A 29 -3.945 -16.691 -14.315 1.00 2.44 C ATOM 366 O CYS A 29 -4.421 -16.029 -13.394 1.00 13.25 O ATOM 367 CB CYS A 29 -5.540 -17.426 -16.096 1.00 32.11 C ATOM 368 SG CYS A 29 -6.553 -16.900 -17.516 1.00 64.21 S ATOM 0 H CYS A 29 -3.492 -17.276 -17.464 1.00 11.14 H new ATOM 0 HA CYS A 29 -4.751 -15.441 -15.851 1.00 13.22 H new ATOM 0 HB2 CYS A 29 -5.124 -18.411 -16.306 1.00 32.11 H new ATOM 0 HB3 CYS A 29 -6.184 -17.531 -15.223 1.00 32.11 H new ATOM 373 N GLY A 30 -3.021 -17.628 -14.129 1.00 25.33 N ATOM 374 CA GLY A 30 -2.519 -17.922 -12.799 1.00 63.01 C ATOM 375 C GLY A 30 -1.989 -16.689 -12.094 1.00 34.13 C ATOM 376 O GLY A 30 -2.250 -16.483 -10.909 1.00 62.22 O ATOM 0 H GLY A 30 -2.611 -18.189 -14.875 1.00 25.33 H new ATOM 0 HA2 GLY A 30 -3.317 -18.363 -12.202 1.00 63.01 H new ATOM 0 HA3 GLY A 30 -1.725 -18.666 -12.870 1.00 63.01 H new ATOM 380 N GLY A 31 -1.242 -15.867 -12.824 1.00 3.35 N ATOM 381 CA GLY A 31 -0.684 -14.659 -12.243 1.00 54.11 C ATOM 382 C GLY A 31 -1.722 -13.568 -12.068 1.00 42.44 C ATOM 383 O GLY A 31 -1.738 -12.873 -11.052 1.00 44.23 O ATOM 0 H GLY A 31 -1.013 -16.015 -13.807 1.00 3.35 H new ATOM 0 HA2 GLY A 31 -0.243 -14.895 -11.275 1.00 54.11 H new ATOM 0 HA3 GLY A 31 0.121 -14.292 -12.879 1.00 54.11 H new ATOM 387 N VAL A 32 -2.591 -13.414 -13.063 1.00 23.53 N ATOM 388 CA VAL A 32 -3.636 -12.399 -13.015 1.00 31.31 C ATOM 389 C VAL A 32 -4.408 -12.467 -11.702 1.00 52.01 C ATOM 390 O VAL A 32 -4.692 -11.442 -11.082 1.00 2.11 O ATOM 391 CB VAL A 32 -4.623 -12.555 -14.187 1.00 13.40 C ATOM 392 CG1 VAL A 32 -5.726 -11.511 -14.098 1.00 53.12 C ATOM 393 CG2 VAL A 32 -3.891 -12.456 -15.517 1.00 23.24 C ATOM 0 H VAL A 32 -2.591 -13.980 -13.912 1.00 23.53 H new ATOM 0 HA VAL A 32 -3.141 -11.431 -13.092 1.00 31.31 H new ATOM 0 HB VAL A 32 -5.082 -13.541 -14.124 1.00 13.40 H new ATOM 0 HG11 VAL A 32 -6.414 -11.636 -14.934 1.00 53.12 H new ATOM 0 HG12 VAL A 32 -6.268 -11.634 -13.160 1.00 53.12 H new ATOM 0 HG13 VAL A 32 -5.287 -10.514 -14.136 1.00 53.12 H new ATOM 0 HG21 VAL A 32 -4.604 -12.568 -16.334 1.00 23.24 H new ATOM 0 HG22 VAL A 32 -3.403 -11.484 -15.592 1.00 23.24 H new ATOM 0 HG23 VAL A 32 -3.141 -13.244 -15.579 1.00 23.24 H new ATOM 403 N LYS A 33 -4.746 -13.682 -11.283 1.00 1.33 N ATOM 404 CA LYS A 33 -5.484 -13.886 -10.042 1.00 11.50 C ATOM 405 C LYS A 33 -4.654 -13.452 -8.838 1.00 34.13 C ATOM 406 O LYS A 33 -5.151 -12.769 -7.942 1.00 30.13 O ATOM 407 CB LYS A 33 -5.883 -15.356 -9.897 1.00 42.14 C ATOM 408 CG LYS A 33 -6.820 -15.842 -10.989 1.00 61.34 C ATOM 409 CD LYS A 33 -6.560 -17.298 -11.340 1.00 45.42 C ATOM 410 CE LYS A 33 -7.533 -17.799 -12.396 1.00 22.20 C ATOM 411 NZ LYS A 33 -7.947 -19.207 -12.144 1.00 75.00 N ATOM 0 H LYS A 33 -4.520 -14.541 -11.785 1.00 1.33 H new ATOM 0 HA LYS A 33 -6.385 -13.274 -10.080 1.00 11.50 H new ATOM 0 HB2 LYS A 33 -4.983 -15.970 -9.902 1.00 42.14 H new ATOM 0 HB3 LYS A 33 -6.362 -15.500 -8.928 1.00 42.14 H new ATOM 0 HG2 LYS A 33 -7.853 -15.725 -10.662 1.00 61.34 H new ATOM 0 HG3 LYS A 33 -6.695 -15.224 -11.878 1.00 61.34 H new ATOM 0 HD2 LYS A 33 -5.538 -17.409 -11.703 1.00 45.42 H new ATOM 0 HD3 LYS A 33 -6.648 -17.911 -10.443 1.00 45.42 H new ATOM 0 HE2 LYS A 33 -8.415 -17.158 -12.411 1.00 22.20 H new ATOM 0 HE3 LYS A 33 -7.070 -17.727 -13.380 1.00 22.20 H new ATOM 0 HZ1 LYS A 33 -8.610 -19.512 -12.885 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 -7.109 -19.823 -12.155 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 -8.412 -19.271 -11.216 1.00 75.00 H new ATOM 425 N LYS A 34 -3.387 -13.852 -8.823 1.00 53.22 N ATOM 426 CA LYS A 34 -2.487 -13.503 -7.731 1.00 1.22 C ATOM 427 C LYS A 34 -2.334 -11.990 -7.614 1.00 40.30 C ATOM 428 O LYS A 34 -2.304 -11.442 -6.511 1.00 52.33 O ATOM 429 CB LYS A 34 -1.117 -14.149 -7.946 1.00 24.54 C ATOM 430 CG LYS A 34 -0.088 -13.758 -6.898 1.00 54.05 C ATOM 431 CD LYS A 34 0.945 -14.853 -6.694 1.00 73.44 C ATOM 432 CE LYS A 34 0.392 -15.990 -5.847 1.00 44.44 C ATOM 433 NZ LYS A 34 1.346 -17.130 -5.758 1.00 44.53 N ATOM 0 H LYS A 34 -2.960 -14.419 -9.556 1.00 53.22 H new ATOM 0 HA LYS A 34 -2.919 -13.880 -6.804 1.00 1.22 H new ATOM 0 HB2 LYS A 34 -1.232 -15.233 -7.944 1.00 24.54 H new ATOM 0 HB3 LYS A 34 -0.744 -13.870 -8.931 1.00 24.54 H new ATOM 0 HG2 LYS A 34 0.411 -12.838 -7.203 1.00 54.05 H new ATOM 0 HG3 LYS A 34 -0.591 -13.550 -5.953 1.00 54.05 H new ATOM 0 HD2 LYS A 34 1.262 -15.240 -7.662 1.00 73.44 H new ATOM 0 HD3 LYS A 34 1.829 -14.436 -6.212 1.00 73.44 H new ATOM 0 HE2 LYS A 34 0.171 -15.622 -4.845 1.00 44.44 H new ATOM 0 HE3 LYS A 34 -0.549 -16.336 -6.274 1.00 44.44 H new ATOM 0 HZ1 LYS A 34 0.933 -17.884 -5.173 1.00 44.53 H new ATOM 0 HZ2 LYS A 34 1.537 -17.498 -6.712 1.00 44.53 H new ATOM 0 HZ3 LYS A 34 2.235 -16.806 -5.327 1.00 44.53 H new ATOM 447 N LEU A 35 -2.239 -11.319 -8.757 1.00 61.40 N ATOM 448 CA LEU A 35 -2.091 -9.868 -8.783 1.00 22.40 C ATOM 449 C LEU A 35 -3.353 -9.183 -8.269 1.00 3.11 C ATOM 450 O LEU A 35 -3.292 -8.329 -7.383 1.00 25.20 O ATOM 451 CB LEU A 35 -1.781 -9.393 -10.204 1.00 12.14 C ATOM 452 CG LEU A 35 -1.847 -7.883 -10.435 1.00 41.03 C ATOM 453 CD1 LEU A 35 -1.012 -7.147 -9.399 1.00 15.04 C ATOM 454 CD2 LEU A 35 -1.379 -7.538 -11.842 1.00 21.43 C ATOM 0 H LEU A 35 -2.262 -11.757 -9.678 1.00 61.40 H new ATOM 0 HA LEU A 35 -1.262 -9.600 -8.128 1.00 22.40 H new ATOM 0 HB2 LEU A 35 -0.782 -9.738 -10.471 1.00 12.14 H new ATOM 0 HB3 LEU A 35 -2.479 -9.876 -10.888 1.00 12.14 H new ATOM 0 HG LEU A 35 -2.884 -7.564 -10.329 1.00 41.03 H new ATOM 0 HD11 LEU A 35 -1.071 -6.074 -9.580 1.00 15.04 H new ATOM 0 HD12 LEU A 35 -1.392 -7.369 -8.402 1.00 15.04 H new ATOM 0 HD13 LEU A 35 0.026 -7.470 -9.472 1.00 15.04 H new ATOM 0 HD21 LEU A 35 -1.433 -6.459 -11.989 1.00 21.43 H new ATOM 0 HD22 LEU A 35 -0.350 -7.872 -11.975 1.00 21.43 H new ATOM 0 HD23 LEU A 35 -2.019 -8.036 -12.571 1.00 21.43 H new ATOM 466 N LEU A 36 -4.496 -9.563 -8.828 1.00 60.24 N ATOM 467 CA LEU A 36 -5.774 -8.987 -8.425 1.00 50.01 C ATOM 468 C LEU A 36 -6.093 -9.331 -6.974 1.00 4.24 C ATOM 469 O LEU A 36 -6.784 -8.581 -6.285 1.00 74.22 O ATOM 470 CB LEU A 36 -6.894 -9.490 -9.338 1.00 25.41 C ATOM 471 CG LEU A 36 -6.890 -8.947 -10.767 1.00 43.21 C ATOM 472 CD1 LEU A 36 -7.899 -9.694 -11.625 1.00 62.11 C ATOM 473 CD2 LEU A 36 -7.185 -7.454 -10.771 1.00 35.12 C ATOM 0 H LEU A 36 -4.564 -10.268 -9.562 1.00 60.24 H new ATOM 0 HA LEU A 36 -5.700 -7.903 -8.515 1.00 50.01 H new ATOM 0 HB2 LEU A 36 -6.837 -10.578 -9.384 1.00 25.41 H new ATOM 0 HB3 LEU A 36 -7.850 -9.240 -8.878 1.00 25.41 H new ATOM 0 HG LEU A 36 -5.898 -9.102 -11.191 1.00 43.21 H new ATOM 0 HD11 LEU A 36 -7.882 -9.294 -12.639 1.00 62.11 H new ATOM 0 HD12 LEU A 36 -7.643 -10.753 -11.649 1.00 62.11 H new ATOM 0 HD13 LEU A 36 -8.897 -9.571 -11.203 1.00 62.11 H new ATOM 0 HD21 LEU A 36 -7.178 -7.085 -11.796 1.00 35.12 H new ATOM 0 HD22 LEU A 36 -8.165 -7.275 -10.328 1.00 35.12 H new ATOM 0 HD23 LEU A 36 -6.424 -6.931 -10.192 1.00 35.12 H new ATOM 485 N ALA A 37 -5.581 -10.468 -6.514 1.00 72.44 N ATOM 486 CA ALA A 37 -5.808 -10.909 -5.144 1.00 24.33 C ATOM 487 C ALA A 37 -5.166 -9.951 -4.146 1.00 22.52 C ATOM 488 O ALA A 37 -5.620 -9.829 -3.009 1.00 11.43 O ATOM 489 CB ALA A 37 -5.269 -12.319 -4.947 1.00 1.41 C ATOM 0 H ALA A 37 -5.006 -11.100 -7.071 1.00 72.44 H new ATOM 0 HA ALA A 37 -6.883 -10.914 -4.963 1.00 24.33 H new ATOM 0 HB1 ALA A 37 -5.445 -12.636 -3.919 1.00 1.41 H new ATOM 0 HB2 ALA A 37 -5.777 -13.001 -5.629 1.00 1.41 H new ATOM 0 HB3 ALA A 37 -4.198 -12.331 -5.152 1.00 1.41 H new ATOM 495 N ALA A 38 -4.107 -9.275 -4.579 1.00 23.32 N ATOM 496 CA ALA A 38 -3.403 -8.328 -3.723 1.00 55.54 C ATOM 497 C ALA A 38 -4.061 -6.953 -3.770 1.00 54.45 C ATOM 498 O ALA A 38 -4.206 -6.288 -2.745 1.00 34.11 O ATOM 499 CB ALA A 38 -1.942 -8.230 -4.134 1.00 42.42 C ATOM 0 H ALA A 38 -3.718 -9.366 -5.517 1.00 23.32 H new ATOM 0 HA ALA A 38 -3.456 -8.693 -2.697 1.00 55.54 H new ATOM 0 HB1 ALA A 38 -1.429 -7.519 -3.486 1.00 42.42 H new ATOM 0 HB2 ALA A 38 -1.472 -9.209 -4.043 1.00 42.42 H new ATOM 0 HB3 ALA A 38 -1.877 -7.891 -5.168 1.00 42.42 H new ATOM 505 N ALA A 39 -4.457 -6.532 -4.967 1.00 51.23 N ATOM 506 CA ALA A 39 -5.101 -5.236 -5.147 1.00 62.53 C ATOM 507 C ALA A 39 -6.596 -5.322 -4.861 1.00 72.03 C ATOM 508 O ALA A 39 -7.412 -5.372 -5.781 1.00 64.11 O ATOM 509 CB ALA A 39 -4.860 -4.719 -6.558 1.00 0.13 C ATOM 0 H ALA A 39 -4.343 -7.069 -5.826 1.00 51.23 H new ATOM 0 HA ALA A 39 -4.661 -4.537 -4.436 1.00 62.53 H new ATOM 0 HB1 ALA A 39 -5.346 -3.751 -6.679 1.00 0.13 H new ATOM 0 HB2 ALA A 39 -3.789 -4.611 -6.728 1.00 0.13 H new ATOM 0 HB3 ALA A 39 -5.272 -5.425 -7.279 1.00 0.13 H new ATOM 515 N ASN A 40 -6.949 -5.339 -3.580 1.00 21.20 N ATOM 516 CA ASN A 40 -8.347 -5.420 -3.173 1.00 70.21 C ATOM 517 C ASN A 40 -8.632 -4.472 -2.013 1.00 3.44 C ATOM 518 O ASN A 40 -9.708 -4.509 -1.415 1.00 2.52 O ATOM 519 CB ASN A 40 -8.701 -6.854 -2.773 1.00 52.12 C ATOM 520 CG ASN A 40 -7.860 -7.356 -1.615 1.00 51.24 C ATOM 521 OD1 ASN A 40 -6.670 -7.631 -1.772 1.00 13.15 O ATOM 522 ND2 ASN A 40 -8.477 -7.477 -0.446 1.00 24.54 N ATOM 0 H ASN A 40 -6.286 -5.298 -2.806 1.00 21.20 H new ATOM 0 HA ASN A 40 -8.964 -5.123 -4.021 1.00 70.21 H new ATOM 0 HB2 ASN A 40 -9.755 -6.902 -2.501 1.00 52.12 H new ATOM 0 HB3 ASN A 40 -8.563 -7.512 -3.631 1.00 52.12 H new ATOM 0 HD21 ASN A 40 -7.963 -7.810 0.370 1.00 24.54 H new ATOM 0 HD22 ASN A 40 -9.465 -7.237 -0.364 1.00 24.54 H new ATOM 529 N THR A 41 -7.660 -3.621 -1.698 1.00 45.25 N ATOM 530 CA THR A 41 -7.804 -2.663 -0.610 1.00 14.31 C ATOM 531 C THR A 41 -7.980 -1.246 -1.144 1.00 52.12 C ATOM 532 O THR A 41 -9.086 -0.705 -1.148 1.00 55.12 O ATOM 533 CB THR A 41 -6.587 -2.696 0.334 1.00 73.14 C ATOM 534 OG1 THR A 41 -5.445 -3.212 -0.359 1.00 2.24 O ATOM 535 CG2 THR A 41 -6.875 -3.553 1.557 1.00 4.03 C ATOM 0 H THR A 41 -6.763 -3.576 -2.182 1.00 45.25 H new ATOM 0 HA THR A 41 -8.695 -2.952 -0.052 1.00 14.31 H new ATOM 0 HB THR A 41 -6.382 -1.678 0.664 1.00 73.14 H new ATOM 0 HG1 THR A 41 -4.675 -3.228 0.247 1.00 2.24 H new ATOM 0 HG21 THR A 41 -6.002 -3.562 2.209 1.00 4.03 H new ATOM 0 HG22 THR A 41 -7.727 -3.141 2.097 1.00 4.03 H new ATOM 0 HG23 THR A 41 -7.103 -4.571 1.242 1.00 4.03 H new ATOM 543 N THR A 42 -6.882 -0.648 -1.596 1.00 61.21 N ATOM 544 CA THR A 42 -6.915 0.706 -2.133 1.00 3.55 C ATOM 545 C THR A 42 -5.525 1.161 -2.563 1.00 2.34 C ATOM 546 O THR A 42 -5.297 1.538 -3.712 1.00 43.43 O ATOM 547 CB THR A 42 -7.473 1.706 -1.102 1.00 33.42 C ATOM 548 OG1 THR A 42 -8.897 1.795 -1.228 1.00 42.31 O ATOM 549 CG2 THR A 42 -6.854 3.082 -1.292 1.00 54.10 C ATOM 0 H THR A 42 -5.958 -1.081 -1.601 1.00 61.21 H new ATOM 0 HA THR A 42 -7.573 0.685 -3.002 1.00 3.55 H new ATOM 0 HB THR A 42 -7.219 1.347 -0.105 1.00 33.42 H new ATOM 0 HG1 THR A 42 -9.255 0.929 -1.514 1.00 42.31 H new ATOM 0 HG21 THR A 42 -7.264 3.770 -0.553 1.00 54.10 H new ATOM 0 HG22 THR A 42 -5.773 3.015 -1.166 1.00 54.10 H new ATOM 0 HG23 THR A 42 -7.081 3.448 -2.293 1.00 54.10 H new ATOM 557 N PRO A 43 -4.571 1.126 -1.620 1.00 35.52 N ATOM 558 CA PRO A 43 -3.186 1.530 -1.879 1.00 34.32 C ATOM 559 C PRO A 43 -2.458 0.550 -2.792 1.00 25.43 C ATOM 560 O PRO A 43 -1.449 0.894 -3.409 1.00 34.21 O ATOM 561 CB PRO A 43 -2.552 1.536 -0.486 1.00 32.44 C ATOM 562 CG PRO A 43 -3.372 0.577 0.308 1.00 44.14 C ATOM 563 CD PRO A 43 -4.772 0.687 -0.228 1.00 52.24 C ATOM 0 HA PRO A 43 -3.130 2.490 -2.391 1.00 34.32 H new ATOM 0 HB2 PRO A 43 -1.508 1.226 -0.525 1.00 32.44 H new ATOM 0 HB3 PRO A 43 -2.572 2.533 -0.046 1.00 32.44 H new ATOM 0 HG2 PRO A 43 -2.993 -0.440 0.204 1.00 44.14 H new ATOM 0 HG3 PRO A 43 -3.340 0.822 1.370 1.00 44.14 H new ATOM 0 HD2 PRO A 43 -5.297 -0.267 -0.179 1.00 52.24 H new ATOM 0 HD3 PRO A 43 -5.364 1.406 0.339 1.00 52.24 H new ATOM 571 N ASP A 44 -2.974 -0.672 -2.873 1.00 42.40 N ATOM 572 CA ASP A 44 -2.373 -1.702 -3.712 1.00 44.54 C ATOM 573 C ASP A 44 -2.826 -1.555 -5.162 1.00 11.35 C ATOM 574 O ASP A 44 -2.066 -1.828 -6.091 1.00 32.13 O ATOM 575 CB ASP A 44 -2.736 -3.092 -3.190 1.00 33.14 C ATOM 576 CG ASP A 44 -1.701 -3.638 -2.226 1.00 45.33 C ATOM 577 OD1 ASP A 44 -1.609 -4.876 -2.092 1.00 65.13 O ATOM 578 OD2 ASP A 44 -0.981 -2.826 -1.607 1.00 73.31 O ATOM 0 H ASP A 44 -3.807 -0.973 -2.368 1.00 42.40 H new ATOM 0 HA ASP A 44 -1.291 -1.580 -3.674 1.00 44.54 H new ATOM 0 HB2 ASP A 44 -3.705 -3.048 -2.692 1.00 33.14 H new ATOM 0 HB3 ASP A 44 -2.841 -3.777 -4.032 1.00 33.14 H new ATOM 583 N ARG A 45 -4.069 -1.122 -5.346 1.00 71.43 N ATOM 584 CA ARG A 45 -4.625 -0.942 -6.682 1.00 45.41 C ATOM 585 C ARG A 45 -3.991 0.261 -7.376 1.00 34.01 C ATOM 586 O ARG A 45 -3.622 0.189 -8.547 1.00 44.25 O ATOM 587 CB ARG A 45 -6.142 -0.760 -6.607 1.00 4.04 C ATOM 588 CG ARG A 45 -6.842 -1.827 -5.782 1.00 34.13 C ATOM 589 CD ARG A 45 -7.803 -2.646 -6.630 1.00 45.14 C ATOM 590 NE ARG A 45 -8.732 -1.801 -7.375 1.00 12.31 N ATOM 591 CZ ARG A 45 -9.381 -2.202 -8.462 1.00 60.42 C ATOM 592 NH1 ARG A 45 -9.203 -3.431 -8.929 1.00 3.51 N ATOM 593 NH2 ARG A 45 -10.211 -1.375 -9.085 1.00 3.12 N ATOM 0 H ARG A 45 -4.710 -0.889 -4.587 1.00 71.43 H new ATOM 0 HA ARG A 45 -4.402 -1.836 -7.265 1.00 45.41 H new ATOM 0 HB2 ARG A 45 -6.362 0.219 -6.181 1.00 4.04 H new ATOM 0 HB3 ARG A 45 -6.551 -0.767 -7.617 1.00 4.04 H new ATOM 0 HG2 ARG A 45 -6.099 -2.486 -5.332 1.00 34.13 H new ATOM 0 HG3 ARG A 45 -7.387 -1.356 -4.964 1.00 34.13 H new ATOM 0 HD2 ARG A 45 -7.236 -3.263 -7.327 1.00 45.14 H new ATOM 0 HD3 ARG A 45 -8.365 -3.324 -5.988 1.00 45.14 H new ATOM 0 HE ARG A 45 -8.891 -0.850 -7.042 1.00 12.31 H new ATOM 0 HH11 ARG A 45 -8.567 -4.070 -8.453 1.00 3.51 H new ATOM 0 HH12 ARG A 45 -9.703 -3.737 -9.764 1.00 3.51 H new ATOM 0 HH21 ARG A 45 -10.351 -0.429 -8.729 1.00 3.12 H new ATOM 0 HH22 ARG A 45 -10.709 -1.685 -9.920 1.00 3.12 H new ATOM 607 N GLN A 46 -3.871 1.364 -6.644 1.00 51.13 N ATOM 608 CA GLN A 46 -3.284 2.582 -7.190 1.00 71.03 C ATOM 609 C GLN A 46 -1.886 2.314 -7.738 1.00 52.33 C ATOM 610 O GLN A 46 -1.606 2.580 -8.907 1.00 4.24 O ATOM 611 CB GLN A 46 -3.224 3.670 -6.117 1.00 12.11 C ATOM 612 CG GLN A 46 -4.585 4.043 -5.552 1.00 33.33 C ATOM 613 CD GLN A 46 -4.486 4.802 -4.243 1.00 50.25 C ATOM 614 OE1 GLN A 46 -3.655 4.487 -3.391 1.00 41.52 O ATOM 615 NE2 GLN A 46 -5.335 5.809 -4.077 1.00 54.33 N ATOM 0 H GLN A 46 -4.172 1.439 -5.672 1.00 51.13 H new ATOM 0 HA GLN A 46 -3.916 2.924 -8.009 1.00 71.03 H new ATOM 0 HB2 GLN A 46 -2.583 3.331 -5.303 1.00 12.11 H new ATOM 0 HB3 GLN A 46 -2.759 4.560 -6.540 1.00 12.11 H new ATOM 0 HG2 GLN A 46 -5.122 4.651 -6.280 1.00 33.33 H new ATOM 0 HG3 GLN A 46 -5.171 3.137 -5.399 1.00 33.33 H new ATOM 0 HE21 GLN A 46 -6.007 6.035 -4.810 1.00 54.33 H new ATOM 0 HE22 GLN A 46 -5.315 6.357 -3.217 1.00 54.33 H new ATOM 624 N ALA A 47 -1.013 1.787 -6.886 1.00 70.14 N ATOM 625 CA ALA A 47 0.355 1.482 -7.286 1.00 22.21 C ATOM 626 C ALA A 47 0.383 0.432 -8.391 1.00 61.24 C ATOM 627 O ALA A 47 0.963 0.651 -9.454 1.00 44.22 O ATOM 628 CB ALA A 47 1.162 1.009 -6.086 1.00 4.11 C ATOM 0 H ALA A 47 -1.229 1.562 -5.915 1.00 70.14 H new ATOM 0 HA ALA A 47 0.805 2.395 -7.677 1.00 22.21 H new ATOM 0 HB1 ALA A 47 2.182 0.785 -6.399 1.00 4.11 H new ATOM 0 HB2 ALA A 47 1.179 1.792 -5.328 1.00 4.11 H new ATOM 0 HB3 ALA A 47 0.704 0.111 -5.671 1.00 4.11 H new ATOM 634 N ALA A 48 -0.247 -0.709 -8.133 1.00 71.43 N ATOM 635 CA ALA A 48 -0.295 -1.793 -9.107 1.00 52.33 C ATOM 636 C ALA A 48 -0.710 -1.278 -10.481 1.00 53.42 C ATOM 637 O ALA A 48 -0.088 -1.605 -11.492 1.00 75.14 O ATOM 638 CB ALA A 48 -1.250 -2.881 -8.639 1.00 64.32 C ATOM 0 H ALA A 48 -0.731 -0.907 -7.258 1.00 71.43 H new ATOM 0 HA ALA A 48 0.706 -2.216 -9.193 1.00 52.33 H new ATOM 0 HB1 ALA A 48 -1.276 -3.684 -9.376 1.00 64.32 H new ATOM 0 HB2 ALA A 48 -0.909 -3.277 -7.682 1.00 64.32 H new ATOM 0 HB3 ALA A 48 -2.250 -2.462 -8.523 1.00 64.32 H new ATOM 644 N CYS A 49 -1.765 -0.470 -10.511 1.00 73.23 N ATOM 645 CA CYS A 49 -2.265 0.090 -11.761 1.00 61.22 C ATOM 646 C CYS A 49 -1.235 1.026 -12.388 1.00 34.22 C ATOM 647 O CYS A 49 -0.718 0.759 -13.472 1.00 10.53 O ATOM 648 CB CYS A 49 -3.575 0.843 -11.519 1.00 64.25 C ATOM 649 SG CYS A 49 -4.450 1.321 -13.044 1.00 64.00 S ATOM 0 H CYS A 49 -2.290 -0.188 -9.683 1.00 73.23 H new ATOM 0 HA CYS A 49 -2.449 -0.733 -12.451 1.00 61.22 H new ATOM 0 HB2 CYS A 49 -4.234 0.219 -10.915 1.00 64.25 H new ATOM 0 HB3 CYS A 49 -3.364 1.740 -10.937 1.00 64.25 H new ATOM 654 N ASN A 50 -0.943 2.123 -11.697 1.00 34.12 N ATOM 655 CA ASN A 50 0.024 3.099 -12.185 1.00 71.02 C ATOM 656 C ASN A 50 1.282 2.407 -12.700 1.00 4.01 C ATOM 657 O ASN A 50 1.815 2.764 -13.751 1.00 52.13 O ATOM 658 CB ASN A 50 0.389 4.086 -11.075 1.00 30.14 C ATOM 659 CG ASN A 50 -0.803 4.899 -10.609 1.00 13.13 C ATOM 660 OD1 ASN A 50 -1.664 5.272 -11.406 1.00 42.51 O ATOM 661 ND2 ASN A 50 -0.859 5.177 -9.311 1.00 41.45 N ATOM 0 H ASN A 50 -1.362 2.358 -10.797 1.00 34.12 H new ATOM 0 HA ASN A 50 -0.433 3.645 -13.011 1.00 71.02 H new ATOM 0 HB2 ASN A 50 0.805 3.539 -10.229 1.00 30.14 H new ATOM 0 HB3 ASN A 50 1.167 4.760 -11.433 1.00 30.14 H new ATOM 0 HD21 ASN A 50 -1.638 5.720 -8.939 1.00 41.45 H new ATOM 0 HD22 ASN A 50 -0.123 4.847 -8.687 1.00 41.45 H new ATOM 668 N CYS A 51 1.753 1.414 -11.952 1.00 41.52 N ATOM 669 CA CYS A 51 2.949 0.671 -12.331 1.00 54.34 C ATOM 670 C CYS A 51 2.831 0.143 -13.758 1.00 41.43 C ATOM 671 O CYS A 51 3.721 0.352 -14.584 1.00 71.54 O ATOM 672 CB CYS A 51 3.180 -0.491 -11.364 1.00 5.25 C ATOM 673 SG CYS A 51 4.219 -0.067 -9.928 1.00 13.20 S ATOM 0 H CYS A 51 1.324 1.105 -11.079 1.00 41.52 H new ATOM 0 HA CYS A 51 3.800 1.351 -12.282 1.00 54.34 H new ATOM 0 HB2 CYS A 51 2.215 -0.850 -11.007 1.00 5.25 H new ATOM 0 HB3 CYS A 51 3.646 -1.314 -11.906 1.00 5.25 H new ATOM 678 N LEU A 52 1.728 -0.540 -14.041 1.00 72.22 N ATOM 679 CA LEU A 52 1.493 -1.098 -15.368 1.00 74.24 C ATOM 680 C LEU A 52 1.102 -0.005 -16.357 1.00 54.34 C ATOM 681 O LEU A 52 1.233 -0.173 -17.570 1.00 0.11 O ATOM 682 CB LEU A 52 0.396 -2.163 -15.308 1.00 63.35 C ATOM 683 CG LEU A 52 0.804 -3.514 -14.720 1.00 24.23 C ATOM 684 CD1 LEU A 52 -0.405 -4.231 -14.140 1.00 30.02 C ATOM 685 CD2 LEU A 52 1.480 -4.375 -15.777 1.00 42.34 C ATOM 0 H LEU A 52 0.982 -0.721 -13.369 1.00 72.22 H new ATOM 0 HA LEU A 52 2.420 -1.558 -15.711 1.00 74.24 H new ATOM 0 HB2 LEU A 52 -0.433 -1.769 -14.720 1.00 63.35 H new ATOM 0 HB3 LEU A 52 0.021 -2.327 -16.318 1.00 63.35 H new ATOM 0 HG LEU A 52 1.517 -3.337 -13.915 1.00 24.23 H new ATOM 0 HD11 LEU A 52 -0.095 -5.191 -13.726 1.00 30.02 H new ATOM 0 HD12 LEU A 52 -0.846 -3.621 -13.351 1.00 30.02 H new ATOM 0 HD13 LEU A 52 -1.142 -4.396 -14.926 1.00 30.02 H new ATOM 0 HD21 LEU A 52 1.763 -5.332 -15.340 1.00 42.34 H new ATOM 0 HD22 LEU A 52 0.791 -4.544 -16.604 1.00 42.34 H new ATOM 0 HD23 LEU A 52 2.371 -3.867 -16.145 1.00 42.34 H new ATOM 697 N LYS A 53 0.622 1.117 -15.832 1.00 0.34 N ATOM 698 CA LYS A 53 0.215 2.241 -16.667 1.00 12.14 C ATOM 699 C LYS A 53 1.424 2.894 -17.328 1.00 64.22 C ATOM 700 O LYS A 53 1.385 3.244 -18.508 1.00 30.13 O ATOM 701 CB LYS A 53 -0.543 3.276 -15.831 1.00 61.42 C ATOM 702 CG LYS A 53 -1.834 2.746 -15.232 1.00 21.43 C ATOM 703 CD LYS A 53 -3.049 3.238 -16.000 1.00 61.10 C ATOM 704 CE LYS A 53 -3.001 2.803 -17.457 1.00 4.41 C ATOM 705 NZ LYS A 53 -2.373 3.839 -18.324 1.00 33.10 N ATOM 0 H LYS A 53 0.505 1.272 -14.831 1.00 0.34 H new ATOM 0 HA LYS A 53 -0.443 1.861 -17.448 1.00 12.14 H new ATOM 0 HB2 LYS A 53 0.104 3.626 -15.027 1.00 61.42 H new ATOM 0 HB3 LYS A 53 -0.770 4.140 -16.456 1.00 61.42 H new ATOM 0 HG2 LYS A 53 -1.817 1.656 -15.236 1.00 21.43 H new ATOM 0 HG3 LYS A 53 -1.909 3.060 -14.191 1.00 21.43 H new ATOM 0 HD2 LYS A 53 -3.956 2.853 -15.534 1.00 61.10 H new ATOM 0 HD3 LYS A 53 -3.100 4.325 -15.945 1.00 61.10 H new ATOM 0 HE2 LYS A 53 -2.441 1.872 -17.540 1.00 4.41 H new ATOM 0 HE3 LYS A 53 -4.012 2.599 -17.809 1.00 4.41 H new ATOM 0 HZ1 LYS A 53 -3.065 4.170 -19.026 1.00 33.10 H new ATOM 0 HZ2 LYS A 53 -2.064 4.641 -17.738 1.00 33.10 H new ATOM 0 HZ3 LYS A 53 -1.551 3.431 -18.813 1.00 33.10 H new ATOM 719 N SER A 54 2.498 3.053 -16.562 1.00 4.05 N ATOM 720 CA SER A 54 3.719 3.666 -17.073 1.00 72.32 C ATOM 721 C SER A 54 4.468 2.702 -17.988 1.00 61.12 C ATOM 722 O SER A 54 4.970 3.093 -19.042 1.00 33.51 O ATOM 723 CB SER A 54 4.623 4.095 -15.916 1.00 52.21 C ATOM 724 OG SER A 54 5.934 4.381 -16.372 1.00 72.11 O ATOM 0 H SER A 54 2.548 2.766 -15.585 1.00 4.05 H new ATOM 0 HA SER A 54 3.440 4.547 -17.651 1.00 72.32 H new ATOM 0 HB2 SER A 54 4.203 4.976 -15.430 1.00 52.21 H new ATOM 0 HB3 SER A 54 4.660 3.304 -15.167 1.00 52.21 H new ATOM 0 HG SER A 54 6.492 4.654 -15.614 1.00 72.11 H new ATOM 730 N ALA A 55 4.539 1.440 -17.577 1.00 5.21 N ATOM 731 CA ALA A 55 5.225 0.419 -18.359 1.00 42.33 C ATOM 732 C ALA A 55 4.444 0.080 -19.624 1.00 33.41 C ATOM 733 O ALA A 55 4.952 -0.600 -20.515 1.00 52.22 O ATOM 734 CB ALA A 55 5.444 -0.831 -17.520 1.00 13.21 C ATOM 0 H ALA A 55 4.130 1.100 -16.707 1.00 5.21 H new ATOM 0 HA ALA A 55 6.195 0.816 -18.658 1.00 42.33 H new ATOM 0 HB1 ALA A 55 5.957 -1.585 -18.117 1.00 13.21 H new ATOM 0 HB2 ALA A 55 6.051 -0.583 -16.649 1.00 13.21 H new ATOM 0 HB3 ALA A 55 4.481 -1.222 -17.192 1.00 13.21 H new ATOM 740 N ALA A 56 3.205 0.556 -19.694 1.00 41.44 N ATOM 741 CA ALA A 56 2.354 0.304 -20.851 1.00 2.14 C ATOM 742 C ALA A 56 2.575 1.354 -21.934 1.00 53.12 C ATOM 743 O ALA A 56 2.359 1.094 -23.117 1.00 45.12 O ATOM 744 CB ALA A 56 0.891 0.273 -20.433 1.00 5.23 C ATOM 0 H ALA A 56 2.768 1.118 -18.963 1.00 41.44 H new ATOM 0 HA ALA A 56 2.623 -0.668 -21.264 1.00 2.14 H new ATOM 0 HB1 ALA A 56 0.267 0.084 -21.306 1.00 5.23 H new ATOM 0 HB2 ALA A 56 0.739 -0.519 -19.700 1.00 5.23 H new ATOM 0 HB3 ALA A 56 0.618 1.232 -19.993 1.00 5.23 H new ATOM 750 N GLY A 57 3.005 2.543 -21.522 1.00 31.35 N ATOM 751 CA GLY A 57 3.246 3.614 -22.470 1.00 4.43 C ATOM 752 C GLY A 57 4.418 3.325 -23.386 1.00 65.52 C ATOM 753 O GLY A 57 4.503 3.868 -24.488 1.00 21.34 O ATOM 0 H GLY A 57 3.191 2.783 -20.548 1.00 31.35 H new ATOM 0 HA2 GLY A 57 2.350 3.772 -23.070 1.00 4.43 H new ATOM 0 HA3 GLY A 57 3.433 4.540 -21.927 1.00 4.43 H new ATOM 757 N SER A 58 5.326 2.467 -22.930 1.00 42.24 N ATOM 758 CA SER A 58 6.502 2.110 -23.715 1.00 4.30 C ATOM 759 C SER A 58 6.215 0.907 -24.608 1.00 23.24 C ATOM 760 O SER A 58 7.109 0.393 -25.281 1.00 71.22 O ATOM 761 CB SER A 58 7.684 1.805 -22.792 1.00 73.21 C ATOM 762 OG SER A 58 7.759 2.743 -21.733 1.00 30.25 O ATOM 0 H SER A 58 5.270 2.007 -22.022 1.00 42.24 H new ATOM 0 HA SER A 58 6.756 2.959 -24.350 1.00 4.30 H new ATOM 0 HB2 SER A 58 7.581 0.799 -22.385 1.00 73.21 H new ATOM 0 HB3 SER A 58 8.611 1.824 -23.365 1.00 73.21 H new ATOM 0 HG SER A 58 8.521 2.525 -21.157 1.00 30.25 H new ATOM 768 N ILE A 59 4.963 0.463 -24.607 1.00 11.02 N ATOM 769 CA ILE A 59 4.557 -0.679 -25.417 1.00 1.12 C ATOM 770 C ILE A 59 3.749 -0.232 -26.631 1.00 24.42 C ATOM 771 O ILE A 59 2.718 0.426 -26.497 1.00 14.34 O ATOM 772 CB ILE A 59 3.721 -1.681 -24.599 1.00 4.14 C ATOM 773 CG1 ILE A 59 4.303 -1.834 -23.191 1.00 54.15 C ATOM 774 CG2 ILE A 59 3.668 -3.027 -25.305 1.00 21.31 C ATOM 775 CD1 ILE A 59 3.551 -2.826 -22.332 1.00 23.30 C ATOM 0 H ILE A 59 4.212 0.877 -24.054 1.00 11.02 H new ATOM 0 HA ILE A 59 5.471 -1.169 -25.752 1.00 1.12 H new ATOM 0 HB ILE A 59 2.704 -1.298 -24.512 1.00 4.14 H new ATOM 0 HG12 ILE A 59 5.344 -2.148 -23.269 1.00 54.15 H new ATOM 0 HG13 ILE A 59 4.300 -0.862 -22.697 1.00 54.15 H new ATOM 0 HG21 ILE A 59 3.074 -3.724 -24.715 1.00 21.31 H new ATOM 0 HG22 ILE A 59 3.213 -2.905 -26.288 1.00 21.31 H new ATOM 0 HG23 ILE A 59 4.679 -3.418 -25.419 1.00 21.31 H new ATOM 0 HD11 ILE A 59 4.018 -2.884 -21.349 1.00 23.30 H new ATOM 0 HD12 ILE A 59 2.516 -2.502 -22.224 1.00 23.30 H new ATOM 0 HD13 ILE A 59 3.576 -3.808 -22.804 1.00 23.30 H new ATOM 787 N THR A 60 4.225 -0.597 -27.818 1.00 12.03 N ATOM 788 CA THR A 60 3.547 -0.235 -29.056 1.00 63.13 C ATOM 789 C THR A 60 2.602 -1.342 -29.510 1.00 25.11 C ATOM 790 O THR A 60 1.605 -1.084 -30.183 1.00 55.01 O ATOM 791 CB THR A 60 4.556 0.057 -30.183 1.00 54.54 C ATOM 792 OG1 THR A 60 3.920 0.803 -31.228 1.00 21.30 O ATOM 793 CG2 THR A 60 5.125 -1.235 -30.749 1.00 54.24 C ATOM 0 H THR A 60 5.077 -1.143 -27.947 1.00 12.03 H new ATOM 0 HA THR A 60 2.972 0.667 -28.849 1.00 63.13 H new ATOM 0 HB THR A 60 5.375 0.643 -29.765 1.00 54.54 H new ATOM 0 HG1 THR A 60 4.568 0.986 -31.940 1.00 21.30 H new ATOM 0 HG21 THR A 60 5.835 -1.003 -31.543 1.00 54.24 H new ATOM 0 HG22 THR A 60 5.633 -1.786 -29.958 1.00 54.24 H new ATOM 0 HG23 THR A 60 4.315 -1.843 -31.152 1.00 54.24 H new ATOM 801 N LYS A 61 2.923 -2.576 -29.137 1.00 35.55 N ATOM 802 CA LYS A 61 2.101 -3.724 -29.503 1.00 24.30 C ATOM 803 C LYS A 61 1.061 -4.015 -28.426 1.00 21.11 C ATOM 804 O LYS A 61 0.457 -5.088 -28.406 1.00 30.35 O ATOM 805 CB LYS A 61 2.981 -4.957 -29.724 1.00 31.05 C ATOM 806 CG LYS A 61 3.893 -4.845 -30.933 1.00 75.23 C ATOM 807 CD LYS A 61 3.107 -4.920 -32.232 1.00 42.40 C ATOM 808 CE LYS A 61 2.916 -6.359 -32.686 1.00 43.42 C ATOM 809 NZ LYS A 61 2.454 -6.437 -34.100 1.00 21.43 N ATOM 0 H LYS A 61 3.747 -2.807 -28.581 1.00 35.55 H new ATOM 0 HA LYS A 61 1.580 -3.485 -30.430 1.00 24.30 H new ATOM 0 HB2 LYS A 61 3.589 -5.123 -28.835 1.00 31.05 H new ATOM 0 HB3 LYS A 61 2.342 -5.832 -29.841 1.00 31.05 H new ATOM 0 HG2 LYS A 61 4.440 -3.903 -30.891 1.00 75.23 H new ATOM 0 HG3 LYS A 61 4.633 -5.645 -30.907 1.00 75.23 H new ATOM 0 HD2 LYS A 61 2.134 -4.448 -32.097 1.00 42.40 H new ATOM 0 HD3 LYS A 61 3.629 -4.359 -33.007 1.00 42.40 H new ATOM 0 HE2 LYS A 61 3.856 -6.901 -32.580 1.00 43.42 H new ATOM 0 HE3 LYS A 61 2.190 -6.851 -32.039 1.00 43.42 H new ATOM 0 HZ1 LYS A 61 2.336 -7.434 -34.372 1.00 21.43 H new ATOM 0 HZ2 LYS A 61 1.545 -5.941 -34.196 1.00 21.43 H new ATOM 0 HZ3 LYS A 61 3.159 -5.990 -34.721 1.00 21.43 H new ATOM 823 N LEU A 62 0.856 -3.053 -27.533 1.00 54.14 N ATOM 824 CA LEU A 62 -0.114 -3.205 -26.454 1.00 25.23 C ATOM 825 C LEU A 62 -1.533 -3.299 -27.005 1.00 4.11 C ATOM 826 O LEU A 62 -1.997 -2.401 -27.706 1.00 13.24 O ATOM 827 CB LEU A 62 -0.009 -2.031 -25.479 1.00 13.11 C ATOM 828 CG LEU A 62 -1.051 -1.993 -24.360 1.00 50.32 C ATOM 829 CD1 LEU A 62 -0.718 -3.016 -23.285 1.00 42.34 C ATOM 830 CD2 LEU A 62 -1.139 -0.597 -23.761 1.00 55.43 C ATOM 0 H LEU A 62 1.348 -2.160 -27.535 1.00 54.14 H new ATOM 0 HA LEU A 62 0.111 -4.131 -25.924 1.00 25.23 H new ATOM 0 HB2 LEU A 62 0.982 -2.049 -25.025 1.00 13.11 H new ATOM 0 HB3 LEU A 62 -0.082 -1.104 -26.048 1.00 13.11 H new ATOM 0 HG LEU A 62 -2.022 -2.247 -24.785 1.00 50.32 H new ATOM 0 HD11 LEU A 62 -1.470 -2.974 -22.497 1.00 42.34 H new ATOM 0 HD12 LEU A 62 -0.707 -4.014 -23.723 1.00 42.34 H new ATOM 0 HD13 LEU A 62 0.262 -2.794 -22.863 1.00 42.34 H new ATOM 0 HD21 LEU A 62 -1.885 -0.588 -22.966 1.00 55.43 H new ATOM 0 HD22 LEU A 62 -0.169 -0.315 -23.351 1.00 55.43 H new ATOM 0 HD23 LEU A 62 -1.426 0.114 -24.536 1.00 55.43 H new ATOM 842 N ASN A 63 -2.217 -4.392 -26.681 1.00 43.44 N ATOM 843 CA ASN A 63 -3.584 -4.602 -27.143 1.00 50.10 C ATOM 844 C ASN A 63 -4.581 -4.378 -26.010 1.00 71.01 C ATOM 845 O ASN A 63 -4.896 -5.298 -25.254 1.00 55.31 O ATOM 846 CB ASN A 63 -3.743 -6.016 -27.705 1.00 42.02 C ATOM 847 CG ASN A 63 -3.045 -6.189 -29.040 1.00 63.23 C ATOM 848 OD1 ASN A 63 -1.821 -6.089 -29.131 1.00 70.40 O ATOM 849 ND2 ASN A 63 -3.822 -6.450 -30.085 1.00 11.12 N ATOM 0 H ASN A 63 -1.847 -5.145 -26.101 1.00 43.44 H new ATOM 0 HA ASN A 63 -3.789 -3.879 -27.933 1.00 50.10 H new ATOM 0 HB2 ASN A 63 -3.340 -6.735 -26.992 1.00 42.02 H new ATOM 0 HB3 ASN A 63 -4.803 -6.241 -27.820 1.00 42.02 H new ATOM 0 HD21 ASN A 63 -3.409 -6.576 -31.009 1.00 11.12 H new ATOM 0 HD22 ASN A 63 -4.832 -6.524 -29.964 1.00 11.12 H new ATOM 856 N THR A 64 -5.076 -3.149 -25.898 1.00 45.03 N ATOM 857 CA THR A 64 -6.036 -2.803 -24.858 1.00 72.33 C ATOM 858 C THR A 64 -7.231 -3.750 -24.877 1.00 10.31 C ATOM 859 O THR A 64 -7.881 -3.964 -23.855 1.00 23.05 O ATOM 860 CB THR A 64 -6.539 -1.356 -25.017 1.00 35.10 C ATOM 861 OG1 THR A 64 -7.344 -1.244 -26.197 1.00 5.45 O ATOM 862 CG2 THR A 64 -5.373 -0.383 -25.098 1.00 22.23 C ATOM 0 H THR A 64 -4.827 -2.376 -26.516 1.00 45.03 H new ATOM 0 HA THR A 64 -5.517 -2.896 -23.904 1.00 72.33 H new ATOM 0 HB THR A 64 -7.140 -1.106 -24.143 1.00 35.10 H new ATOM 0 HG1 THR A 64 -7.661 -0.322 -26.290 1.00 5.45 H new ATOM 0 HG21 THR A 64 -5.753 0.632 -25.210 1.00 22.23 H new ATOM 0 HG22 THR A 64 -4.780 -0.450 -24.186 1.00 22.23 H new ATOM 0 HG23 THR A 64 -4.749 -0.633 -25.956 1.00 22.23 H new ATOM 870 N ASN A 65 -7.515 -4.314 -26.046 1.00 62.22 N ATOM 871 CA ASN A 65 -8.633 -5.239 -26.197 1.00 45.34 C ATOM 872 C ASN A 65 -8.406 -6.505 -25.377 1.00 64.25 C ATOM 873 O ASN A 65 -9.322 -7.011 -24.731 1.00 51.31 O ATOM 874 CB ASN A 65 -8.827 -5.600 -27.671 1.00 42.04 C ATOM 875 CG ASN A 65 -9.785 -4.659 -28.376 1.00 31.12 C ATOM 876 OD1 ASN A 65 -10.438 -3.830 -27.741 1.00 62.41 O ATOM 877 ND2 ASN A 65 -9.874 -4.784 -29.695 1.00 2.31 N ATOM 0 H ASN A 65 -6.987 -4.147 -26.903 1.00 62.22 H new ATOM 0 HA ASN A 65 -9.533 -4.746 -25.829 1.00 45.34 H new ATOM 0 HB2 ASN A 65 -7.862 -5.578 -28.178 1.00 42.04 H new ATOM 0 HB3 ASN A 65 -9.203 -6.620 -27.746 1.00 42.04 H new ATOM 0 HD21 ASN A 65 -10.503 -4.179 -30.223 1.00 2.31 H new ATOM 0 HD22 ASN A 65 -9.314 -5.485 -30.180 1.00 2.31 H new ATOM 884 N ASN A 66 -7.177 -7.012 -25.409 1.00 52.12 N ATOM 885 CA ASN A 66 -6.829 -8.219 -24.669 1.00 32.40 C ATOM 886 C ASN A 66 -6.687 -7.922 -23.179 1.00 72.23 C ATOM 887 O ASN A 66 -6.827 -8.813 -22.342 1.00 63.42 O ATOM 888 CB ASN A 66 -5.527 -8.816 -25.208 1.00 13.41 C ATOM 889 CG ASN A 66 -5.711 -9.479 -26.559 1.00 32.40 C ATOM 890 OD1 ASN A 66 -6.620 -10.288 -26.747 1.00 71.11 O ATOM 891 ND2 ASN A 66 -4.846 -9.140 -27.508 1.00 10.35 N ATOM 0 H ASN A 66 -6.406 -6.605 -25.939 1.00 52.12 H new ATOM 0 HA ASN A 66 -7.634 -8.941 -24.802 1.00 32.40 H new ATOM 0 HB2 ASN A 66 -4.777 -8.029 -25.291 1.00 13.41 H new ATOM 0 HB3 ASN A 66 -5.144 -9.547 -24.496 1.00 13.41 H new ATOM 0 HD21 ASN A 66 -4.920 -9.555 -28.437 1.00 10.35 H new ATOM 0 HD22 ASN A 66 -4.108 -8.465 -27.308 1.00 10.35 H new ATOM 898 N ALA A 67 -6.409 -6.663 -22.856 1.00 74.34 N ATOM 899 CA ALA A 67 -6.251 -6.248 -21.468 1.00 52.23 C ATOM 900 C ALA A 67 -7.595 -6.213 -20.749 1.00 54.21 C ATOM 901 O ALA A 67 -7.685 -6.537 -19.565 1.00 51.13 O ATOM 902 CB ALA A 67 -5.578 -4.885 -21.399 1.00 24.22 C ATOM 0 H ALA A 67 -6.289 -5.913 -23.537 1.00 74.34 H new ATOM 0 HA ALA A 67 -5.619 -6.980 -20.965 1.00 52.23 H new ATOM 0 HB1 ALA A 67 -5.466 -4.587 -20.357 1.00 24.22 H new ATOM 0 HB2 ALA A 67 -4.596 -4.940 -21.868 1.00 24.22 H new ATOM 0 HB3 ALA A 67 -6.190 -4.150 -21.923 1.00 24.22 H new ATOM 908 N ALA A 68 -8.638 -5.817 -21.472 1.00 1.10 N ATOM 909 CA ALA A 68 -9.978 -5.741 -20.903 1.00 24.03 C ATOM 910 C ALA A 68 -10.588 -7.130 -20.748 1.00 3.03 C ATOM 911 O ALA A 68 -11.236 -7.425 -19.744 1.00 55.34 O ATOM 912 CB ALA A 68 -10.870 -4.864 -21.768 1.00 70.15 C ATOM 0 H ALA A 68 -8.580 -5.544 -22.453 1.00 1.10 H new ATOM 0 HA ALA A 68 -9.900 -5.294 -19.912 1.00 24.03 H new ATOM 0 HB1 ALA A 68 -11.867 -4.816 -21.331 1.00 70.15 H new ATOM 0 HB2 ALA A 68 -10.450 -3.860 -21.823 1.00 70.15 H new ATOM 0 HB3 ALA A 68 -10.933 -5.286 -22.771 1.00 70.15 H new ATOM 918 N ALA A 69 -10.376 -7.979 -21.748 1.00 22.33 N ATOM 919 CA ALA A 69 -10.904 -9.338 -21.721 1.00 50.53 C ATOM 920 C ALA A 69 -9.954 -10.282 -20.992 1.00 51.23 C ATOM 921 O ALA A 69 -10.289 -11.439 -20.735 1.00 63.24 O ATOM 922 CB ALA A 69 -11.159 -9.832 -23.137 1.00 74.13 C ATOM 0 H ALA A 69 -9.843 -7.750 -22.587 1.00 22.33 H new ATOM 0 HA ALA A 69 -11.848 -9.324 -21.177 1.00 50.53 H new ATOM 0 HB1 ALA A 69 -11.553 -10.848 -23.103 1.00 74.13 H new ATOM 0 HB2 ALA A 69 -11.882 -9.179 -23.626 1.00 74.13 H new ATOM 0 HB3 ALA A 69 -10.225 -9.824 -23.699 1.00 74.13 H new ATOM 928 N LEU A 70 -8.769 -9.782 -20.662 1.00 45.10 N ATOM 929 CA LEU A 70 -7.769 -10.582 -19.963 1.00 1.34 C ATOM 930 C LEU A 70 -8.340 -11.160 -18.672 1.00 0.13 C ATOM 931 O LEU A 70 -8.376 -12.374 -18.469 1.00 1.32 O ATOM 932 CB LEU A 70 -6.534 -9.734 -19.653 1.00 13.54 C ATOM 933 CG LEU A 70 -5.739 -10.134 -18.409 1.00 74.43 C ATOM 934 CD1 LEU A 70 -5.191 -11.545 -18.558 1.00 42.05 C ATOM 935 CD2 LEU A 70 -4.611 -9.145 -18.156 1.00 30.41 C ATOM 0 H LEU A 70 -8.477 -8.827 -20.867 1.00 45.10 H new ATOM 0 HA LEU A 70 -7.481 -11.408 -20.613 1.00 1.34 H new ATOM 0 HB2 LEU A 70 -5.867 -9.772 -20.514 1.00 13.54 H new ATOM 0 HB3 LEU A 70 -6.849 -8.697 -19.540 1.00 13.54 H new ATOM 0 HG LEU A 70 -6.410 -10.115 -17.550 1.00 74.43 H new ATOM 0 HD11 LEU A 70 -4.628 -11.813 -17.664 1.00 42.05 H new ATOM 0 HD12 LEU A 70 -6.017 -12.244 -18.690 1.00 42.05 H new ATOM 0 HD13 LEU A 70 -4.535 -11.591 -19.427 1.00 42.05 H new ATOM 0 HD21 LEU A 70 -4.056 -9.445 -17.267 1.00 30.41 H new ATOM 0 HD22 LEU A 70 -3.940 -9.131 -19.015 1.00 30.41 H new ATOM 0 HD23 LEU A 70 -5.027 -8.149 -18.004 1.00 30.41 H new ATOM 947 N PRO A 71 -8.800 -10.272 -17.778 1.00 4.22 N ATOM 948 CA PRO A 71 -9.380 -10.671 -16.492 1.00 52.32 C ATOM 949 C PRO A 71 -10.733 -11.355 -16.655 1.00 12.14 C ATOM 950 O PRO A 71 -11.131 -12.170 -15.824 1.00 33.13 O ATOM 951 CB PRO A 71 -9.538 -9.343 -15.747 1.00 54.12 C ATOM 952 CG PRO A 71 -9.646 -8.316 -16.821 1.00 73.33 C ATOM 953 CD PRO A 71 -8.788 -8.810 -17.953 1.00 53.24 C ATOM 0 HA PRO A 71 -8.756 -11.396 -15.970 1.00 52.32 H new ATOM 0 HB2 PRO A 71 -10.425 -9.348 -15.113 1.00 54.12 H new ATOM 0 HB3 PRO A 71 -8.684 -9.149 -15.098 1.00 54.12 H new ATOM 0 HG2 PRO A 71 -10.681 -8.193 -17.141 1.00 73.33 H new ATOM 0 HG3 PRO A 71 -9.304 -7.344 -16.467 1.00 73.33 H new ATOM 0 HD2 PRO A 71 -9.194 -8.518 -18.922 1.00 53.24 H new ATOM 0 HD3 PRO A 71 -7.777 -8.407 -17.896 1.00 53.24 H new ATOM 961 N GLY A 72 -11.437 -11.018 -17.732 1.00 4.44 N ATOM 962 CA GLY A 72 -12.738 -11.609 -17.983 1.00 64.41 C ATOM 963 C GLY A 72 -12.645 -13.074 -18.361 1.00 61.33 C ATOM 964 O GLY A 72 -13.405 -13.903 -17.859 1.00 42.40 O ATOM 0 H GLY A 72 -11.129 -10.346 -18.435 1.00 4.44 H new ATOM 0 HA2 GLY A 72 -13.359 -11.505 -17.093 1.00 64.41 H new ATOM 0 HA3 GLY A 72 -13.234 -11.061 -18.784 1.00 64.41 H new ATOM 968 N LYS A 73 -11.712 -13.396 -19.251 1.00 70.11 N ATOM 969 CA LYS A 73 -11.522 -14.771 -19.698 1.00 1.12 C ATOM 970 C LYS A 73 -10.920 -15.626 -18.587 1.00 44.52 C ATOM 971 O LYS A 73 -10.996 -16.854 -18.624 1.00 60.04 O ATOM 972 CB LYS A 73 -10.617 -14.808 -20.932 1.00 11.44 C ATOM 973 CG LYS A 73 -11.375 -14.719 -22.245 1.00 13.43 C ATOM 974 CD LYS A 73 -10.544 -14.045 -23.324 1.00 33.30 C ATOM 975 CE LYS A 73 -11.416 -13.254 -24.287 1.00 34.41 C ATOM 976 NZ LYS A 73 -12.187 -14.146 -25.198 1.00 4.13 N ATOM 0 H LYS A 73 -11.075 -12.723 -19.677 1.00 70.11 H new ATOM 0 HA LYS A 73 -12.498 -15.180 -19.959 1.00 1.12 H new ATOM 0 HB2 LYS A 73 -9.906 -13.983 -20.876 1.00 11.44 H new ATOM 0 HB3 LYS A 73 -10.037 -15.731 -20.919 1.00 11.44 H new ATOM 0 HG2 LYS A 73 -11.656 -15.720 -22.573 1.00 13.43 H new ATOM 0 HG3 LYS A 73 -12.300 -14.162 -22.095 1.00 13.43 H new ATOM 0 HD2 LYS A 73 -9.815 -13.380 -22.861 1.00 33.30 H new ATOM 0 HD3 LYS A 73 -9.982 -14.799 -23.876 1.00 33.30 H new ATOM 0 HE2 LYS A 73 -12.106 -12.628 -23.721 1.00 34.41 H new ATOM 0 HE3 LYS A 73 -10.790 -12.585 -24.878 1.00 34.41 H new ATOM 0 HZ1 LYS A 73 -12.769 -13.569 -25.839 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 -11.528 -14.725 -25.756 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 -12.803 -14.767 -24.636 1.00 4.13 H new ATOM 990 N CYS A 74 -10.322 -14.968 -17.599 1.00 60.11 N ATOM 991 CA CYS A 74 -9.707 -15.667 -16.477 1.00 14.12 C ATOM 992 C CYS A 74 -10.681 -15.779 -15.307 1.00 3.42 C ATOM 993 O CYS A 74 -10.272 -15.959 -14.161 1.00 30.44 O ATOM 994 CB CYS A 74 -8.437 -14.940 -16.030 1.00 73.23 C ATOM 995 SG CYS A 74 -7.084 -14.991 -17.249 1.00 12.20 S ATOM 0 H CYS A 74 -10.250 -13.952 -17.553 1.00 60.11 H new ATOM 0 HA CYS A 74 -9.445 -16.672 -16.807 1.00 14.12 H new ATOM 0 HB2 CYS A 74 -8.682 -13.899 -15.818 1.00 73.23 H new ATOM 0 HB3 CYS A 74 -8.088 -15.381 -15.097 1.00 73.23 H new ATOM 1000 N GLY A 75 -11.972 -15.670 -15.606 1.00 2.34 N ATOM 1001 CA GLY A 75 -12.983 -15.761 -14.569 1.00 14.00 C ATOM 1002 C GLY A 75 -12.769 -14.751 -13.459 1.00 54.45 C ATOM 1003 O GLY A 75 -12.466 -15.119 -12.325 1.00 0.34 O ATOM 0 H GLY A 75 -12.335 -15.520 -16.547 1.00 2.34 H new ATOM 0 HA2 GLY A 75 -13.967 -15.607 -15.011 1.00 14.00 H new ATOM 0 HA3 GLY A 75 -12.977 -16.766 -14.147 1.00 14.00 H new ATOM 1007 N VAL A 76 -12.926 -13.472 -13.787 1.00 51.13 N ATOM 1008 CA VAL A 76 -12.747 -12.405 -12.810 1.00 15.30 C ATOM 1009 C VAL A 76 -13.756 -11.283 -13.030 1.00 73.25 C ATOM 1010 O VAL A 76 -14.269 -11.104 -14.134 1.00 60.03 O ATOM 1011 CB VAL A 76 -11.324 -11.820 -12.872 1.00 11.52 C ATOM 1012 CG1 VAL A 76 -11.054 -10.942 -11.659 1.00 31.21 C ATOM 1013 CG2 VAL A 76 -10.294 -12.934 -12.974 1.00 31.45 C ATOM 0 H VAL A 76 -13.177 -13.150 -14.722 1.00 51.13 H new ATOM 0 HA VAL A 76 -12.908 -12.847 -11.826 1.00 15.30 H new ATOM 0 HB VAL A 76 -11.244 -11.200 -13.765 1.00 11.52 H new ATOM 0 HG11 VAL A 76 -10.044 -10.537 -11.720 1.00 31.21 H new ATOM 0 HG12 VAL A 76 -11.772 -10.122 -11.636 1.00 31.21 H new ATOM 0 HG13 VAL A 76 -11.152 -11.536 -10.751 1.00 31.21 H new ATOM 0 HG21 VAL A 76 -9.294 -12.502 -13.017 1.00 31.45 H new ATOM 0 HG22 VAL A 76 -10.372 -13.583 -12.102 1.00 31.45 H new ATOM 0 HG23 VAL A 76 -10.477 -13.517 -13.877 1.00 31.45 H new ATOM 1132 N SER A 83 -10.309 0.988 -18.865 1.00 75.22 N ATOM 1133 CA SER A 83 -9.778 2.125 -19.607 1.00 2.22 C ATOM 1134 C SER A 83 -8.456 2.595 -19.007 1.00 63.53 C ATOM 1135 O SER A 83 -8.427 3.209 -17.941 1.00 1.44 O ATOM 1136 CB SER A 83 -10.786 3.276 -19.610 1.00 34.51 C ATOM 1137 OG SER A 83 -10.202 4.465 -20.111 1.00 3.11 O ATOM 0 HA SER A 83 -9.599 1.805 -20.634 1.00 2.22 H new ATOM 0 HB2 SER A 83 -11.649 3.006 -20.219 1.00 34.51 H new ATOM 0 HB3 SER A 83 -11.152 3.446 -18.597 1.00 34.51 H new ATOM 0 HG SER A 83 -10.810 5.218 -19.957 1.00 3.11 H new ATOM 1143 N THR A 84 -7.361 2.300 -19.701 1.00 63.03 N ATOM 1144 CA THR A 84 -6.035 2.690 -19.239 1.00 23.33 C ATOM 1145 C THR A 84 -5.925 4.203 -19.096 1.00 11.41 C ATOM 1146 O THR A 84 -5.024 4.711 -18.428 1.00 1.34 O ATOM 1147 CB THR A 84 -4.937 2.195 -20.199 1.00 42.12 C ATOM 1148 OG1 THR A 84 -5.178 2.696 -21.519 1.00 10.43 O ATOM 1149 CG2 THR A 84 -4.889 0.675 -20.230 1.00 21.04 C ATOM 0 H THR A 84 -7.367 1.792 -20.585 1.00 63.03 H new ATOM 0 HA THR A 84 -5.891 2.225 -18.264 1.00 23.33 H new ATOM 0 HB THR A 84 -3.977 2.566 -19.839 1.00 42.12 H new ATOM 0 HG1 THR A 84 -4.475 2.378 -22.123 1.00 10.43 H new ATOM 0 HG21 THR A 84 -4.106 0.350 -20.915 1.00 21.04 H new ATOM 0 HG22 THR A 84 -4.676 0.297 -19.230 1.00 21.04 H new ATOM 0 HG23 THR A 84 -5.850 0.287 -20.567 1.00 21.04 H new ATOM 1157 N THR A 85 -6.849 4.921 -19.728 1.00 2.35 N ATOM 1158 CA THR A 85 -6.855 6.378 -19.671 1.00 75.42 C ATOM 1159 C THR A 85 -7.393 6.874 -18.334 1.00 33.42 C ATOM 1160 O THR A 85 -7.400 8.075 -18.062 1.00 24.33 O ATOM 1161 CB THR A 85 -7.703 6.980 -20.808 1.00 31.14 C ATOM 1162 OG1 THR A 85 -9.095 6.775 -20.542 1.00 12.53 O ATOM 1163 CG2 THR A 85 -7.340 6.352 -22.145 1.00 5.32 C ATOM 0 H THR A 85 -7.602 4.517 -20.285 1.00 2.35 H new ATOM 0 HA THR A 85 -5.821 6.704 -19.786 1.00 75.42 H new ATOM 0 HB THR A 85 -7.496 8.049 -20.858 1.00 31.14 H new ATOM 0 HG1 THR A 85 -9.333 5.846 -20.744 1.00 12.53 H new ATOM 0 HG21 THR A 85 -7.952 6.793 -22.932 1.00 5.32 H new ATOM 0 HG22 THR A 85 -6.287 6.534 -22.359 1.00 5.32 H new ATOM 0 HG23 THR A 85 -7.521 5.278 -22.104 1.00 5.32 H new ATOM 1171 N THR A 86 -7.844 5.941 -17.500 1.00 13.40 N ATOM 1172 CA THR A 86 -8.385 6.284 -16.191 1.00 4.04 C ATOM 1173 C THR A 86 -7.269 6.600 -15.201 1.00 31.11 C ATOM 1174 O THR A 86 -6.158 6.086 -15.319 1.00 43.14 O ATOM 1175 CB THR A 86 -9.250 5.143 -15.624 1.00 32.21 C ATOM 1176 OG1 THR A 86 -10.226 4.741 -16.592 1.00 12.33 O ATOM 1177 CG2 THR A 86 -9.947 5.577 -14.343 1.00 73.04 C ATOM 0 H THR A 86 -7.845 4.943 -17.708 1.00 13.40 H new ATOM 0 HA THR A 86 -9.007 7.168 -16.328 1.00 4.04 H new ATOM 0 HB THR A 86 -8.597 4.301 -15.396 1.00 32.21 H new ATOM 0 HG1 THR A 86 -9.807 4.154 -17.255 1.00 12.33 H new ATOM 0 HG21 THR A 86 -10.552 4.755 -13.961 1.00 73.04 H new ATOM 0 HG22 THR A 86 -9.201 5.854 -13.599 1.00 73.04 H new ATOM 0 HG23 THR A 86 -10.588 6.434 -14.550 1.00 73.04 H new ATOM 1185 N ASN A 87 -7.574 7.448 -14.224 1.00 45.21 N ATOM 1186 CA ASN A 87 -6.595 7.832 -13.213 1.00 13.41 C ATOM 1187 C ASN A 87 -6.640 6.879 -12.023 1.00 30.12 C ATOM 1188 O ASN A 87 -7.538 6.958 -11.183 1.00 65.44 O ATOM 1189 CB ASN A 87 -6.853 9.265 -12.743 1.00 11.45 C ATOM 1190 CG ASN A 87 -5.800 9.751 -11.765 1.00 14.20 C ATOM 1191 OD1 ASN A 87 -4.664 9.279 -11.774 1.00 64.13 O ATOM 1192 ND2 ASN A 87 -6.176 10.700 -10.915 1.00 23.44 N ATOM 0 H ASN A 87 -8.490 7.882 -14.111 1.00 45.21 H new ATOM 0 HA ASN A 87 -5.604 7.777 -13.663 1.00 13.41 H new ATOM 0 HB2 ASN A 87 -6.877 9.929 -13.607 1.00 11.45 H new ATOM 0 HB3 ASN A 87 -7.835 9.319 -12.272 1.00 11.45 H new ATOM 0 HD21 ASN A 87 -5.512 11.067 -10.234 1.00 23.44 H new ATOM 0 HD22 ASN A 87 -7.129 11.062 -10.944 1.00 23.44 H new ATOM 1199 N CYS A 88 -5.665 5.978 -11.956 1.00 51.52 N ATOM 1200 CA CYS A 88 -5.592 5.009 -10.870 1.00 5.23 C ATOM 1201 C CYS A 88 -5.087 5.666 -9.588 1.00 63.11 C ATOM 1202 O CYS A 88 -5.034 5.034 -8.534 1.00 62.11 O ATOM 1203 CB CYS A 88 -4.674 3.847 -11.256 1.00 50.40 C ATOM 1204 SG CYS A 88 -4.903 3.255 -12.963 1.00 72.14 S ATOM 0 H CYS A 88 -4.914 5.899 -12.642 1.00 51.52 H new ATOM 0 HA CYS A 88 -6.596 4.626 -10.690 1.00 5.23 H new ATOM 0 HB2 CYS A 88 -3.637 4.158 -11.127 1.00 50.40 H new ATOM 0 HB3 CYS A 88 -4.846 3.018 -10.569 1.00 50.40 H new ATOM 1209 N ASN A 89 -4.717 6.939 -9.688 1.00 32.31 N ATOM 1210 CA ASN A 89 -4.216 7.682 -8.537 1.00 73.42 C ATOM 1211 C ASN A 89 -5.368 8.244 -7.709 1.00 71.43 C ATOM 1212 O ASN A 89 -5.201 8.572 -6.534 1.00 40.02 O ATOM 1213 CB ASN A 89 -3.302 8.819 -8.997 1.00 24.32 C ATOM 1214 CG ASN A 89 -2.089 8.315 -9.756 1.00 34.41 C ATOM 1215 OD1 ASN A 89 -1.093 7.908 -9.157 1.00 53.14 O ATOM 1216 ND2 ASN A 89 -2.169 8.339 -11.081 1.00 50.42 N ATOM 0 H ASN A 89 -4.755 7.477 -10.554 1.00 32.31 H new ATOM 0 HA ASN A 89 -3.645 6.995 -7.913 1.00 73.42 H new ATOM 0 HB2 ASN A 89 -3.867 9.501 -9.632 1.00 24.32 H new ATOM 0 HB3 ASN A 89 -2.973 9.390 -8.129 1.00 24.32 H new ATOM 0 HD21 ASN A 89 -1.385 8.012 -11.645 1.00 50.42 H new ATOM 0 HD22 ASN A 89 -3.015 8.685 -11.535 1.00 50.42 H new ATOM 1223 N THR A 90 -6.539 8.351 -8.330 1.00 42.22 N ATOM 1224 CA THR A 90 -7.718 8.873 -7.652 1.00 54.41 C ATOM 1225 C THR A 90 -8.752 7.776 -7.423 1.00 42.42 C ATOM 1226 O THR A 90 -9.953 8.001 -7.571 1.00 72.31 O ATOM 1227 CB THR A 90 -8.368 10.016 -8.455 1.00 73.22 C ATOM 1228 OG1 THR A 90 -9.494 10.538 -7.741 1.00 0.32 O ATOM 1229 CG2 THR A 90 -8.813 9.529 -9.826 1.00 60.21 C ATOM 0 H THR A 90 -6.695 8.083 -9.302 1.00 42.22 H new ATOM 0 HA THR A 90 -7.383 9.260 -6.689 1.00 54.41 H new ATOM 0 HB THR A 90 -7.626 10.803 -8.589 1.00 73.22 H new ATOM 0 HG1 THR A 90 -10.097 9.804 -7.499 1.00 0.32 H new ATOM 0 HG21 THR A 90 -9.269 10.353 -10.375 1.00 60.21 H new ATOM 0 HG22 THR A 90 -7.949 9.159 -10.379 1.00 60.21 H new ATOM 0 HG23 THR A 90 -9.540 8.725 -9.708 1.00 60.21 H new ATOM 1237 N VAL A 91 -8.277 6.589 -7.061 1.00 31.13 N ATOM 1238 CA VAL A 91 -9.161 5.457 -6.809 1.00 63.34 C ATOM 1239 C VAL A 91 -9.241 5.143 -5.320 1.00 35.33 C ATOM 1240 O VAL A 91 -8.295 5.384 -4.571 1.00 3.15 O ATOM 1241 CB VAL A 91 -8.690 4.199 -7.563 1.00 65.22 C ATOM 1242 CG1 VAL A 91 -8.489 4.505 -9.040 1.00 32.43 C ATOM 1243 CG2 VAL A 91 -7.411 3.655 -6.944 1.00 45.45 C ATOM 0 H VAL A 91 -7.285 6.386 -6.936 1.00 31.13 H new ATOM 0 HA VAL A 91 -10.149 5.740 -7.171 1.00 63.34 H new ATOM 0 HB VAL A 91 -9.462 3.435 -7.477 1.00 65.22 H new ATOM 0 HG11 VAL A 91 -8.156 3.604 -9.556 1.00 32.43 H new ATOM 0 HG12 VAL A 91 -9.430 4.844 -9.473 1.00 32.43 H new ATOM 0 HG13 VAL A 91 -7.736 5.286 -9.151 1.00 32.43 H new ATOM 0 HG21 VAL A 91 -7.092 2.766 -7.489 1.00 45.45 H new ATOM 0 HG22 VAL A 91 -6.630 4.413 -6.998 1.00 45.45 H new ATOM 0 HG23 VAL A 91 -7.593 3.395 -5.901 1.00 45.45 H new