USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 :FLIP amide:sc= -3.37! F(o=-5.4,f=-3.9!) USER MOD Set 1.2: A 87 ASN : amide:sc= -0.1 K(o=-3.9,f=-6.4!) USER MOD Set 1.3: A 89 ASN : amide:sc= -0.477 K(o=-3.9,f=-8!) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 171:sc=-0.00108 (180deg=-0.115) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00358 USER MOD Single : A 9 SER OG : rot 103:sc= 0.36 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 0:sc= 1.07 USER MOD Single : A 25 SER OG : rot 180:sc= 0.186 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= -0.301 X(o=-0.3,f=-0.0058) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.24! USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 46 GLN : amide:sc= -0.305 K(o=-0.3,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc=-3.47e-05 (180deg=-0.206) USER MOD Single : A 54 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+ 158:sc= -0.109 (180deg=-0.638) USER MOD Single : A 63 ASN : amide:sc= -2.87 K(o=-2.9,f=-5.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.16) USER MOD Single : A 66 ASN : amide:sc= -1.28 K(o=-1.3,f=-5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.138 K(o=-0.14,f=-2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.00749 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 176:sc= -1.09 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -140:sc= 0 USER MOD Single : A 90 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.670 -0.726 -0.535 1.00 74.11 N ATOM 2 CA ALA A 1 3.112 -0.912 -0.438 1.00 1.45 C ATOM 3 C ALA A 1 3.558 -2.155 -1.199 1.00 24.21 C ATOM 4 O ALA A 1 4.437 -2.890 -0.746 1.00 12.32 O ATOM 5 CB ALA A 1 3.535 -1.003 1.021 1.00 32.42 C ATOM 0 H1 ALA A 1 1.374 0.033 0.112 1.00 74.11 H new ATOM 0 H2 ALA A 1 1.418 -0.468 -1.510 1.00 74.11 H new ATOM 0 H3 ALA A 1 1.188 -1.610 -0.276 1.00 74.11 H new ATOM 0 HA ALA A 1 3.596 -0.048 -0.892 1.00 1.45 H new ATOM 0 HB1 ALA A 1 4.615 -1.142 1.079 1.00 32.42 H new ATOM 0 HB2 ALA A 1 3.259 -0.084 1.538 1.00 32.42 H new ATOM 0 HB3 ALA A 1 3.035 -1.849 1.493 1.00 32.42 H new ATOM 11 N ILE A 2 2.948 -2.385 -2.356 1.00 71.43 N ATOM 12 CA ILE A 2 3.283 -3.540 -3.180 1.00 25.31 C ATOM 13 C ILE A 2 4.583 -3.312 -3.944 1.00 5.24 C ATOM 14 O ILE A 2 5.208 -2.258 -3.825 1.00 1.23 O ATOM 15 CB ILE A 2 2.161 -3.861 -4.184 1.00 52.23 C ATOM 16 CG1 ILE A 2 2.043 -2.745 -5.224 1.00 40.52 C ATOM 17 CG2 ILE A 2 0.839 -4.056 -3.457 1.00 10.13 C ATOM 18 CD1 ILE A 2 0.972 -2.996 -6.262 1.00 71.32 C ATOM 0 H ILE A 2 2.219 -1.787 -2.745 1.00 71.43 H new ATOM 0 HA ILE A 2 3.405 -4.385 -2.502 1.00 25.31 H new ATOM 0 HB ILE A 2 2.410 -4.788 -4.700 1.00 52.23 H new ATOM 0 HG12 ILE A 2 1.830 -1.805 -4.714 1.00 40.52 H new ATOM 0 HG13 ILE A 2 3.003 -2.625 -5.726 1.00 40.52 H new ATOM 0 HG21 ILE A 2 0.056 -4.282 -4.181 1.00 10.13 H new ATOM 0 HG22 ILE A 2 0.930 -4.881 -2.751 1.00 10.13 H new ATOM 0 HG23 ILE A 2 0.582 -3.144 -2.918 1.00 10.13 H new ATOM 0 HD11 ILE A 2 0.945 -2.164 -6.966 1.00 71.32 H new ATOM 0 HD12 ILE A 2 1.194 -3.918 -6.798 1.00 71.32 H new ATOM 0 HD13 ILE A 2 0.003 -3.087 -5.771 1.00 71.32 H new ATOM 30 N SER A 3 4.984 -4.306 -4.729 1.00 65.12 N ATOM 31 CA SER A 3 6.212 -4.215 -5.512 1.00 14.33 C ATOM 32 C SER A 3 5.899 -4.052 -6.996 1.00 55.20 C ATOM 33 O SER A 3 5.406 -4.976 -7.644 1.00 10.02 O ATOM 34 CB SER A 3 7.074 -5.460 -5.294 1.00 51.44 C ATOM 35 OG SER A 3 7.496 -5.558 -3.945 1.00 61.43 O ATOM 0 H SER A 3 4.477 -5.184 -4.840 1.00 65.12 H new ATOM 0 HA SER A 3 6.764 -3.337 -5.177 1.00 14.33 H new ATOM 0 HB2 SER A 3 6.508 -6.351 -5.567 1.00 51.44 H new ATOM 0 HB3 SER A 3 7.945 -5.423 -5.949 1.00 51.44 H new ATOM 0 HG SER A 3 8.044 -6.363 -3.831 1.00 61.43 H new ATOM 41 N CYS A 4 6.188 -2.869 -7.529 1.00 31.41 N ATOM 42 CA CYS A 4 5.938 -2.583 -8.936 1.00 51.52 C ATOM 43 C CYS A 4 6.543 -3.663 -9.828 1.00 33.55 C ATOM 44 O CYS A 4 5.918 -4.113 -10.787 1.00 40.24 O ATOM 45 CB CYS A 4 6.515 -1.216 -9.310 1.00 42.11 C ATOM 46 SG CYS A 4 5.936 -0.578 -10.915 1.00 62.13 S ATOM 0 H CYS A 4 6.596 -2.093 -7.007 1.00 31.41 H new ATOM 0 HA CYS A 4 4.859 -2.571 -9.092 1.00 51.52 H new ATOM 0 HB2 CYS A 4 6.256 -0.499 -8.531 1.00 42.11 H new ATOM 0 HB3 CYS A 4 7.603 -1.286 -9.330 1.00 42.11 H new ATOM 51 N GLY A 5 7.764 -4.077 -9.502 1.00 11.32 N ATOM 52 CA GLY A 5 8.433 -5.101 -10.282 1.00 30.31 C ATOM 53 C GLY A 5 7.607 -6.366 -10.407 1.00 62.24 C ATOM 54 O GLY A 5 7.725 -7.097 -11.390 1.00 72.23 O ATOM 0 H GLY A 5 8.301 -3.721 -8.711 1.00 11.32 H new ATOM 0 HA2 GLY A 5 8.649 -4.712 -11.277 1.00 30.31 H new ATOM 0 HA3 GLY A 5 9.390 -5.340 -9.818 1.00 30.31 H new ATOM 58 N ALA A 6 6.770 -6.626 -9.408 1.00 62.13 N ATOM 59 CA ALA A 6 5.922 -7.811 -9.411 1.00 74.24 C ATOM 60 C ALA A 6 4.625 -7.556 -10.173 1.00 63.21 C ATOM 61 O ALA A 6 3.958 -8.492 -10.613 1.00 74.11 O ATOM 62 CB ALA A 6 5.621 -8.249 -7.986 1.00 11.35 C ATOM 0 H ALA A 6 6.661 -6.032 -8.586 1.00 62.13 H new ATOM 0 HA ALA A 6 6.461 -8.611 -9.919 1.00 74.24 H new ATOM 0 HB1 ALA A 6 4.987 -9.135 -8.004 1.00 11.35 H new ATOM 0 HB2 ALA A 6 6.554 -8.481 -7.472 1.00 11.35 H new ATOM 0 HB3 ALA A 6 5.107 -7.445 -7.459 1.00 11.35 H new ATOM 68 N VAL A 7 4.274 -6.283 -10.325 1.00 21.12 N ATOM 69 CA VAL A 7 3.058 -5.905 -11.034 1.00 15.02 C ATOM 70 C VAL A 7 3.160 -6.240 -12.518 1.00 14.24 C ATOM 71 O VAL A 7 2.290 -6.909 -13.076 1.00 60.33 O ATOM 72 CB VAL A 7 2.761 -4.402 -10.877 1.00 52.32 C ATOM 73 CG1 VAL A 7 1.456 -4.040 -11.570 1.00 42.33 C ATOM 74 CG2 VAL A 7 2.717 -4.018 -9.406 1.00 35.43 C ATOM 0 H VAL A 7 4.815 -5.496 -9.966 1.00 21.12 H new ATOM 0 HA VAL A 7 2.243 -6.477 -10.591 1.00 15.02 H new ATOM 0 HB VAL A 7 3.565 -3.840 -11.352 1.00 52.32 H new ATOM 0 HG11 VAL A 7 1.263 -2.974 -11.448 1.00 42.33 H new ATOM 0 HG12 VAL A 7 1.530 -4.276 -12.631 1.00 42.33 H new ATOM 0 HG13 VAL A 7 0.639 -4.610 -11.127 1.00 42.33 H new ATOM 0 HG21 VAL A 7 2.506 -2.953 -9.314 1.00 35.43 H new ATOM 0 HG22 VAL A 7 1.934 -4.587 -8.905 1.00 35.43 H new ATOM 0 HG23 VAL A 7 3.679 -4.239 -8.943 1.00 35.43 H new ATOM 84 N THR A 8 4.229 -5.770 -13.153 1.00 11.34 N ATOM 85 CA THR A 8 4.445 -6.018 -14.572 1.00 64.23 C ATOM 86 C THR A 8 4.901 -7.452 -14.816 1.00 61.22 C ATOM 87 O THR A 8 4.507 -8.080 -15.799 1.00 63.11 O ATOM 88 CB THR A 8 5.492 -5.052 -15.159 1.00 22.15 C ATOM 89 OG1 THR A 8 6.771 -5.296 -14.563 1.00 44.21 O ATOM 90 CG2 THR A 8 5.085 -3.605 -14.923 1.00 70.43 C ATOM 0 H THR A 8 4.959 -5.215 -12.706 1.00 11.34 H new ATOM 0 HA THR A 8 3.490 -5.853 -15.070 1.00 64.23 H new ATOM 0 HB THR A 8 5.553 -5.225 -16.233 1.00 22.15 H new ATOM 0 HG1 THR A 8 7.432 -4.679 -14.942 1.00 44.21 H new ATOM 0 HG21 THR A 8 5.839 -2.941 -15.346 1.00 70.43 H new ATOM 0 HG22 THR A 8 4.124 -3.415 -15.402 1.00 70.43 H new ATOM 0 HG23 THR A 8 4.999 -3.421 -13.852 1.00 70.43 H new ATOM 98 N SER A 9 5.733 -7.965 -13.915 1.00 72.42 N ATOM 99 CA SER A 9 6.245 -9.326 -14.035 1.00 13.53 C ATOM 100 C SER A 9 5.103 -10.338 -14.034 1.00 1.31 C ATOM 101 O SER A 9 5.133 -11.325 -14.769 1.00 43.54 O ATOM 102 CB SER A 9 7.213 -9.631 -12.890 1.00 50.03 C ATOM 103 OG SER A 9 8.522 -9.184 -13.197 1.00 63.21 O ATOM 0 H SER A 9 6.067 -7.459 -13.094 1.00 72.42 H new ATOM 0 HA SER A 9 6.777 -9.406 -14.983 1.00 13.53 H new ATOM 0 HB2 SER A 9 6.865 -9.148 -11.977 1.00 50.03 H new ATOM 0 HB3 SER A 9 7.227 -10.704 -12.698 1.00 50.03 H new ATOM 0 HG SER A 9 8.705 -8.352 -12.713 1.00 63.21 H new ATOM 109 N ASP A 10 4.098 -10.085 -13.203 1.00 72.21 N ATOM 110 CA ASP A 10 2.945 -10.973 -13.106 1.00 12.20 C ATOM 111 C ASP A 10 2.225 -11.078 -14.447 1.00 43.30 C ATOM 112 O ASP A 10 1.508 -12.045 -14.705 1.00 22.40 O ATOM 113 CB ASP A 10 1.978 -10.472 -12.032 1.00 52.11 C ATOM 114 CG ASP A 10 2.429 -10.836 -10.631 1.00 72.33 C ATOM 115 OD1 ASP A 10 3.630 -11.129 -10.452 1.00 33.23 O ATOM 116 OD2 ASP A 10 1.581 -10.828 -9.715 1.00 2.25 O ATOM 0 H ASP A 10 4.058 -9.273 -12.587 1.00 72.21 H new ATOM 0 HA ASP A 10 3.303 -11.964 -12.828 1.00 12.20 H new ATOM 0 HB2 ASP A 10 1.883 -9.389 -12.110 1.00 52.11 H new ATOM 0 HB3 ASP A 10 0.989 -10.893 -12.213 1.00 52.11 H new ATOM 121 N LEU A 11 2.420 -10.076 -15.297 1.00 45.31 N ATOM 122 CA LEU A 11 1.789 -10.054 -16.612 1.00 64.22 C ATOM 123 C LEU A 11 2.785 -10.444 -17.700 1.00 52.13 C ATOM 124 O LEU A 11 2.552 -10.201 -18.884 1.00 60.14 O ATOM 125 CB LEU A 11 1.217 -8.666 -16.902 1.00 40.44 C ATOM 126 CG LEU A 11 -0.072 -8.303 -16.164 1.00 22.13 C ATOM 127 CD1 LEU A 11 -0.621 -6.978 -16.668 1.00 11.44 C ATOM 128 CD2 LEU A 11 -1.107 -9.407 -16.324 1.00 21.01 C ATOM 0 H LEU A 11 3.010 -9.268 -15.099 1.00 45.31 H new ATOM 0 HA LEU A 11 0.977 -10.781 -16.611 1.00 64.22 H new ATOM 0 HB2 LEU A 11 1.975 -7.923 -16.654 1.00 40.44 H new ATOM 0 HB3 LEU A 11 1.033 -8.588 -17.973 1.00 40.44 H new ATOM 0 HG LEU A 11 0.157 -8.198 -15.103 1.00 22.13 H new ATOM 0 HD11 LEU A 11 -1.538 -6.736 -16.131 1.00 11.44 H new ATOM 0 HD12 LEU A 11 0.115 -6.192 -16.501 1.00 11.44 H new ATOM 0 HD13 LEU A 11 -0.834 -7.054 -17.734 1.00 11.44 H new ATOM 0 HD21 LEU A 11 -2.018 -9.132 -15.792 1.00 21.01 H new ATOM 0 HD22 LEU A 11 -1.332 -9.545 -17.382 1.00 21.01 H new ATOM 0 HD23 LEU A 11 -0.714 -10.337 -15.913 1.00 21.01 H new ATOM 140 N SER A 12 3.894 -11.052 -17.291 1.00 12.54 N ATOM 141 CA SER A 12 4.926 -11.474 -18.230 1.00 53.13 C ATOM 142 C SER A 12 4.337 -12.367 -19.318 1.00 62.02 C ATOM 143 O SER A 12 4.401 -12.062 -20.509 1.00 73.13 O ATOM 144 CB SER A 12 6.043 -12.216 -17.494 1.00 73.21 C ATOM 145 OG SER A 12 6.548 -13.284 -18.277 1.00 51.31 O ATOM 0 H SER A 12 4.101 -11.263 -16.315 1.00 12.54 H new ATOM 0 HA SER A 12 5.341 -10.583 -18.701 1.00 53.13 H new ATOM 0 HB2 SER A 12 6.849 -11.522 -17.256 1.00 73.21 H new ATOM 0 HB3 SER A 12 5.665 -12.602 -16.547 1.00 73.21 H new ATOM 0 HG SER A 12 7.262 -13.741 -17.785 1.00 51.31 H new ATOM 151 N PRO A 13 3.750 -13.498 -18.900 1.00 72.23 N ATOM 152 CA PRO A 13 3.138 -14.460 -19.822 1.00 53.42 C ATOM 153 C PRO A 13 1.864 -13.919 -20.462 1.00 54.31 C ATOM 154 O PRO A 13 1.373 -14.465 -21.450 1.00 73.13 O ATOM 155 CB PRO A 13 2.818 -15.658 -18.925 1.00 3.33 C ATOM 156 CG PRO A 13 2.677 -15.081 -17.559 1.00 10.45 C ATOM 157 CD PRO A 13 3.638 -13.925 -17.496 1.00 34.54 C ATOM 0 HA PRO A 13 3.797 -14.699 -20.657 1.00 53.42 H new ATOM 0 HB2 PRO A 13 1.901 -16.156 -19.241 1.00 3.33 H new ATOM 0 HB3 PRO A 13 3.613 -16.403 -18.960 1.00 3.33 H new ATOM 0 HG2 PRO A 13 1.655 -14.749 -17.379 1.00 10.45 H new ATOM 0 HG3 PRO A 13 2.909 -15.824 -16.796 1.00 10.45 H new ATOM 0 HD2 PRO A 13 3.261 -13.123 -16.861 1.00 34.54 H new ATOM 0 HD3 PRO A 13 4.603 -14.227 -17.089 1.00 34.54 H new ATOM 165 N CYS A 14 1.332 -12.842 -19.893 1.00 44.30 N ATOM 166 CA CYS A 14 0.115 -12.226 -20.407 1.00 62.25 C ATOM 167 C CYS A 14 0.439 -11.206 -21.495 1.00 3.54 C ATOM 168 O CYS A 14 -0.382 -10.934 -22.372 1.00 22.22 O ATOM 169 CB CYS A 14 -0.659 -11.551 -19.273 1.00 64.22 C ATOM 170 SG CYS A 14 -1.137 -12.679 -17.925 1.00 62.32 S ATOM 0 H CYS A 14 1.726 -12.378 -19.075 1.00 44.30 H new ATOM 0 HA CYS A 14 -0.503 -13.011 -20.842 1.00 62.25 H new ATOM 0 HB2 CYS A 14 -0.050 -10.746 -18.860 1.00 64.22 H new ATOM 0 HB3 CYS A 14 -1.558 -11.092 -19.684 1.00 64.22 H new ATOM 175 N LEU A 15 1.641 -10.643 -21.431 1.00 21.13 N ATOM 176 CA LEU A 15 2.075 -9.652 -22.409 1.00 62.34 C ATOM 177 C LEU A 15 1.750 -10.109 -23.828 1.00 33.11 C ATOM 178 O LEU A 15 1.303 -9.319 -24.660 1.00 2.51 O ATOM 179 CB LEU A 15 3.578 -9.398 -22.275 1.00 73.34 C ATOM 180 CG LEU A 15 4.083 -8.060 -22.816 1.00 30.15 C ATOM 181 CD1 LEU A 15 3.338 -6.906 -22.163 1.00 44.41 C ATOM 182 CD2 LEU A 15 5.582 -7.926 -22.590 1.00 51.30 C ATOM 0 H LEU A 15 2.332 -10.856 -20.712 1.00 21.13 H new ATOM 0 HA LEU A 15 1.537 -8.725 -22.213 1.00 62.34 H new ATOM 0 HB2 LEU A 15 3.845 -9.465 -21.220 1.00 73.34 H new ATOM 0 HB3 LEU A 15 4.109 -10.199 -22.790 1.00 73.34 H new ATOM 0 HG LEU A 15 3.893 -8.027 -23.889 1.00 30.15 H new ATOM 0 HD11 LEU A 15 3.710 -5.962 -22.560 1.00 44.41 H new ATOM 0 HD12 LEU A 15 2.273 -6.994 -22.375 1.00 44.41 H new ATOM 0 HD13 LEU A 15 3.496 -6.934 -21.085 1.00 44.41 H new ATOM 0 HD21 LEU A 15 5.925 -6.968 -22.981 1.00 51.30 H new ATOM 0 HD22 LEU A 15 5.795 -7.979 -21.522 1.00 51.30 H new ATOM 0 HD23 LEU A 15 6.101 -8.735 -23.105 1.00 51.30 H new ATOM 194 N THR A 16 1.974 -11.391 -24.097 1.00 62.54 N ATOM 195 CA THR A 16 1.704 -11.954 -25.414 1.00 62.43 C ATOM 196 C THR A 16 0.264 -11.693 -25.839 1.00 53.22 C ATOM 197 O THR A 16 0.013 -10.978 -26.810 1.00 74.40 O ATOM 198 CB THR A 16 1.968 -13.472 -25.442 1.00 10.34 C ATOM 199 OG1 THR A 16 3.348 -13.734 -25.162 1.00 73.23 O ATOM 200 CG2 THR A 16 1.598 -14.061 -26.794 1.00 61.14 C ATOM 0 H THR A 16 2.342 -12.059 -23.420 1.00 62.54 H new ATOM 0 HA THR A 16 2.381 -11.462 -26.112 1.00 62.43 H new ATOM 0 HB THR A 16 1.348 -13.941 -24.678 1.00 10.34 H new ATOM 0 HG1 THR A 16 3.508 -14.701 -25.180 1.00 73.23 H new ATOM 0 HG21 THR A 16 1.793 -15.133 -26.789 1.00 61.14 H new ATOM 0 HG22 THR A 16 0.540 -13.885 -26.990 1.00 61.14 H new ATOM 0 HG23 THR A 16 2.195 -13.587 -27.573 1.00 61.14 H new ATOM 208 N TYR A 17 -0.679 -12.275 -25.106 1.00 51.43 N ATOM 209 CA TYR A 17 -2.095 -12.105 -25.409 1.00 34.52 C ATOM 210 C TYR A 17 -2.498 -10.636 -25.328 1.00 61.12 C ATOM 211 O TYR A 17 -3.370 -10.177 -26.068 1.00 24.33 O ATOM 212 CB TYR A 17 -2.947 -12.933 -24.444 1.00 43.31 C ATOM 213 CG TYR A 17 -4.427 -12.641 -24.541 1.00 32.15 C ATOM 214 CD1 TYR A 17 -5.073 -11.893 -23.563 1.00 62.34 C ATOM 215 CD2 TYR A 17 -5.181 -13.114 -25.608 1.00 24.13 C ATOM 216 CE1 TYR A 17 -6.425 -11.625 -23.647 1.00 14.12 C ATOM 217 CE2 TYR A 17 -6.533 -12.849 -25.700 1.00 72.31 C ATOM 218 CZ TYR A 17 -7.151 -12.105 -24.717 1.00 51.42 C ATOM 219 OH TYR A 17 -8.499 -11.840 -24.805 1.00 4.12 O ATOM 0 H TYR A 17 -0.488 -12.868 -24.298 1.00 51.43 H new ATOM 0 HA TYR A 17 -2.267 -12.454 -26.427 1.00 34.52 H new ATOM 0 HB2 TYR A 17 -2.780 -13.992 -24.642 1.00 43.31 H new ATOM 0 HB3 TYR A 17 -2.614 -12.743 -23.424 1.00 43.31 H new ATOM 0 HD1 TYR A 17 -4.508 -11.515 -22.724 1.00 62.34 H new ATOM 0 HD2 TYR A 17 -4.701 -13.699 -26.379 1.00 24.13 H new ATOM 0 HE1 TYR A 17 -6.912 -11.042 -22.879 1.00 14.12 H new ATOM 0 HE2 TYR A 17 -7.104 -13.222 -26.537 1.00 72.31 H new ATOM 0 HH TYR A 17 -8.860 -12.249 -25.619 1.00 4.12 H new ATOM 229 N LEU A 18 -1.856 -9.903 -24.425 1.00 55.43 N ATOM 230 CA LEU A 18 -2.146 -8.484 -24.247 1.00 4.13 C ATOM 231 C LEU A 18 -1.638 -7.671 -25.433 1.00 71.25 C ATOM 232 O LEU A 18 -2.145 -6.586 -25.720 1.00 74.20 O ATOM 233 CB LEU A 18 -1.508 -7.972 -22.954 1.00 35.24 C ATOM 234 CG LEU A 18 -2.146 -8.461 -21.652 1.00 42.43 C ATOM 235 CD1 LEU A 18 -1.459 -7.829 -20.452 1.00 1.24 C ATOM 236 CD2 LEU A 18 -3.636 -8.152 -21.640 1.00 20.52 C ATOM 0 H LEU A 18 -1.132 -10.267 -23.805 1.00 55.43 H new ATOM 0 HA LEU A 18 -3.228 -8.365 -24.185 1.00 4.13 H new ATOM 0 HB2 LEU A 18 -0.457 -8.261 -22.951 1.00 35.24 H new ATOM 0 HB3 LEU A 18 -1.539 -6.882 -22.964 1.00 35.24 H new ATOM 0 HG LEU A 18 -2.019 -9.542 -21.590 1.00 42.43 H new ATOM 0 HD11 LEU A 18 -1.926 -8.188 -19.535 1.00 1.24 H new ATOM 0 HD12 LEU A 18 -0.403 -8.100 -20.452 1.00 1.24 H new ATOM 0 HD13 LEU A 18 -1.555 -6.745 -20.507 1.00 1.24 H new ATOM 0 HD21 LEU A 18 -4.074 -8.507 -20.707 1.00 20.52 H new ATOM 0 HD22 LEU A 18 -3.785 -7.076 -21.725 1.00 20.52 H new ATOM 0 HD23 LEU A 18 -4.118 -8.652 -22.480 1.00 20.52 H new ATOM 248 N THR A 19 -0.634 -8.204 -26.123 1.00 41.11 N ATOM 249 CA THR A 19 -0.058 -7.529 -27.279 1.00 72.25 C ATOM 250 C THR A 19 -0.693 -8.021 -28.575 1.00 53.52 C ATOM 251 O THR A 19 -0.074 -7.976 -29.637 1.00 60.13 O ATOM 252 CB THR A 19 1.465 -7.744 -27.354 1.00 43.22 C ATOM 253 OG1 THR A 19 1.764 -9.144 -27.339 1.00 61.12 O ATOM 254 CG2 THR A 19 2.166 -7.058 -26.191 1.00 20.11 C ATOM 0 H THR A 19 -0.203 -9.101 -25.901 1.00 41.11 H new ATOM 0 HA THR A 19 -0.262 -6.465 -27.158 1.00 72.25 H new ATOM 0 HB THR A 19 1.826 -7.306 -28.285 1.00 43.22 H new ATOM 0 HG1 THR A 19 0.930 -9.656 -27.290 1.00 61.12 H new ATOM 0 HG21 THR A 19 3.241 -7.224 -26.265 1.00 20.11 H new ATOM 0 HG22 THR A 19 1.961 -5.988 -26.222 1.00 20.11 H new ATOM 0 HG23 THR A 19 1.799 -7.470 -25.251 1.00 20.11 H new ATOM 262 N GLY A 20 -1.934 -8.489 -28.481 1.00 11.15 N ATOM 263 CA GLY A 20 -2.633 -8.981 -29.653 1.00 64.44 C ATOM 264 C GLY A 20 -2.353 -10.447 -29.922 1.00 10.21 C ATOM 265 O GLY A 20 -2.890 -11.026 -30.865 1.00 13.10 O ATOM 0 H GLY A 20 -2.468 -8.536 -27.613 1.00 11.15 H new ATOM 0 HA2 GLY A 20 -3.705 -8.838 -29.520 1.00 64.44 H new ATOM 0 HA3 GLY A 20 -2.338 -8.393 -30.522 1.00 64.44 H new ATOM 269 N GLY A 21 -1.507 -11.049 -29.091 1.00 14.43 N ATOM 270 CA GLY A 21 -1.171 -12.450 -29.261 1.00 44.21 C ATOM 271 C GLY A 21 -2.299 -13.372 -28.845 1.00 74.25 C ATOM 272 O GLY A 21 -3.348 -12.932 -28.373 1.00 44.23 O ATOM 0 H GLY A 21 -1.049 -10.591 -28.303 1.00 14.43 H new ATOM 0 HA2 GLY A 21 -0.920 -12.636 -30.305 1.00 44.21 H new ATOM 0 HA3 GLY A 21 -0.282 -12.681 -28.674 1.00 44.21 H new ATOM 276 N PRO A 22 -2.091 -14.685 -29.023 1.00 33.45 N ATOM 277 CA PRO A 22 -3.089 -15.700 -28.670 1.00 13.42 C ATOM 278 C PRO A 22 -3.273 -15.832 -27.162 1.00 30.31 C ATOM 279 O PRO A 22 -2.343 -15.599 -26.391 1.00 15.34 O ATOM 280 CB PRO A 22 -2.506 -16.989 -29.253 1.00 30.10 C ATOM 281 CG PRO A 22 -1.037 -16.750 -29.306 1.00 45.12 C ATOM 282 CD PRO A 22 -0.866 -15.281 -29.580 1.00 64.32 C ATOM 0 HA PRO A 22 -4.078 -15.451 -29.056 1.00 13.42 H new ATOM 0 HB2 PRO A 22 -2.745 -17.850 -28.628 1.00 30.10 H new ATOM 0 HB3 PRO A 22 -2.910 -17.193 -30.245 1.00 30.10 H new ATOM 0 HG2 PRO A 22 -0.562 -17.029 -28.366 1.00 45.12 H new ATOM 0 HG3 PRO A 22 -0.572 -17.350 -30.089 1.00 45.12 H new ATOM 0 HD2 PRO A 22 0.028 -14.884 -29.099 1.00 64.32 H new ATOM 0 HD3 PRO A 22 -0.771 -15.080 -30.647 1.00 64.32 H new ATOM 290 N GLY A 23 -4.479 -16.210 -26.748 1.00 0.40 N ATOM 291 CA GLY A 23 -4.762 -16.367 -25.333 1.00 71.14 C ATOM 292 C GLY A 23 -6.179 -15.963 -24.977 1.00 41.21 C ATOM 293 O GLY A 23 -7.069 -15.924 -25.827 1.00 64.32 O ATOM 0 H GLY A 23 -5.265 -16.410 -27.367 1.00 0.40 H new ATOM 0 HA2 GLY A 23 -4.601 -17.406 -25.047 1.00 71.14 H new ATOM 0 HA3 GLY A 23 -4.060 -15.765 -24.756 1.00 71.14 H new ATOM 297 N PRO A 24 -6.405 -15.654 -23.692 1.00 3.25 N ATOM 298 CA PRO A 24 -5.354 -15.697 -22.671 1.00 5.33 C ATOM 299 C PRO A 24 -4.912 -17.121 -22.353 1.00 31.15 C ATOM 300 O PRO A 24 -5.741 -18.002 -22.126 1.00 75.22 O ATOM 301 CB PRO A 24 -6.019 -15.058 -21.449 1.00 51.33 C ATOM 302 CG PRO A 24 -7.478 -15.286 -21.650 1.00 25.23 C ATOM 303 CD PRO A 24 -7.704 -15.239 -23.136 1.00 23.35 C ATOM 0 HA PRO A 24 -4.449 -15.185 -22.997 1.00 5.33 H new ATOM 0 HB2 PRO A 24 -5.670 -15.516 -20.524 1.00 51.33 H new ATOM 0 HB3 PRO A 24 -5.790 -13.994 -21.384 1.00 51.33 H new ATOM 0 HG2 PRO A 24 -7.783 -16.249 -21.239 1.00 25.23 H new ATOM 0 HG3 PRO A 24 -8.066 -14.522 -21.142 1.00 25.23 H new ATOM 0 HD2 PRO A 24 -8.505 -15.911 -23.442 1.00 23.35 H new ATOM 0 HD3 PRO A 24 -7.983 -14.239 -23.469 1.00 23.35 H new ATOM 311 N SER A 25 -3.601 -17.340 -22.337 1.00 12.04 N ATOM 312 CA SER A 25 -3.050 -18.659 -22.049 1.00 42.03 C ATOM 313 C SER A 25 -3.330 -19.062 -20.605 1.00 2.13 C ATOM 314 O SER A 25 -3.661 -18.234 -19.755 1.00 65.23 O ATOM 315 CB SER A 25 -1.543 -18.673 -22.312 1.00 24.24 C ATOM 316 OG SER A 25 -0.817 -18.369 -21.133 1.00 61.30 O ATOM 0 H SER A 25 -2.901 -16.621 -22.520 1.00 12.04 H new ATOM 0 HA SER A 25 -3.534 -19.380 -22.708 1.00 42.03 H new ATOM 0 HB2 SER A 25 -1.245 -19.653 -22.684 1.00 24.24 H new ATOM 0 HB3 SER A 25 -1.300 -17.949 -23.090 1.00 24.24 H new ATOM 0 HG SER A 25 0.144 -18.386 -21.327 1.00 61.30 H new ATOM 322 N PRO A 26 -3.195 -20.365 -20.318 1.00 63.20 N ATOM 323 CA PRO A 26 -3.428 -20.909 -18.977 1.00 23.12 C ATOM 324 C PRO A 26 -2.355 -20.479 -17.982 1.00 41.33 C ATOM 325 O PRO A 26 -2.621 -20.345 -16.788 1.00 54.44 O ATOM 326 CB PRO A 26 -3.378 -22.423 -19.195 1.00 33.44 C ATOM 327 CG PRO A 26 -2.535 -22.604 -20.410 1.00 35.13 C ATOM 328 CD PRO A 26 -2.803 -21.408 -21.281 1.00 74.21 C ATOM 0 HA PRO A 26 -4.368 -20.556 -18.552 1.00 23.12 H new ATOM 0 HB2 PRO A 26 -2.946 -22.933 -18.334 1.00 33.44 H new ATOM 0 HB3 PRO A 26 -4.377 -22.835 -19.341 1.00 33.44 H new ATOM 0 HG2 PRO A 26 -1.479 -22.666 -20.147 1.00 35.13 H new ATOM 0 HG3 PRO A 26 -2.790 -23.529 -20.928 1.00 35.13 H new ATOM 0 HD2 PRO A 26 -1.919 -21.119 -21.849 1.00 74.21 H new ATOM 0 HD3 PRO A 26 -3.595 -21.606 -22.003 1.00 74.21 H new ATOM 336 N GLN A 27 -1.143 -20.264 -18.483 1.00 4.42 N ATOM 337 CA GLN A 27 -0.030 -19.848 -17.637 1.00 30.42 C ATOM 338 C GLN A 27 -0.139 -18.369 -17.282 1.00 24.23 C ATOM 339 O GLN A 27 0.333 -17.936 -16.230 1.00 32.12 O ATOM 340 CB GLN A 27 1.301 -20.120 -18.339 1.00 64.11 C ATOM 341 CG GLN A 27 1.480 -21.568 -18.765 1.00 23.40 C ATOM 342 CD GLN A 27 2.748 -21.789 -19.566 1.00 41.34 C ATOM 343 OE1 GLN A 27 3.707 -22.389 -19.081 1.00 31.35 O ATOM 344 NE2 GLN A 27 2.760 -21.303 -20.802 1.00 55.22 N ATOM 0 H GLN A 27 -0.907 -20.371 -19.469 1.00 4.42 H new ATOM 0 HA GLN A 27 -0.071 -20.428 -16.715 1.00 30.42 H new ATOM 0 HB2 GLN A 27 1.376 -19.480 -19.218 1.00 64.11 H new ATOM 0 HB3 GLN A 27 2.117 -19.843 -17.672 1.00 64.11 H new ATOM 0 HG2 GLN A 27 1.499 -22.203 -17.880 1.00 23.40 H new ATOM 0 HG3 GLN A 27 0.621 -21.876 -19.360 1.00 23.40 H new ATOM 0 HE21 GLN A 27 1.943 -20.812 -21.165 1.00 55.22 H new ATOM 0 HE22 GLN A 27 3.586 -21.421 -21.388 1.00 55.22 H new ATOM 353 N CYS A 28 -0.762 -17.598 -18.166 1.00 14.22 N ATOM 354 CA CYS A 28 -0.933 -16.167 -17.947 1.00 43.40 C ATOM 355 C CYS A 28 -1.976 -15.902 -16.866 1.00 12.05 C ATOM 356 O CYS A 28 -1.730 -15.154 -15.919 1.00 24.12 O ATOM 357 CB CYS A 28 -1.345 -15.476 -19.249 1.00 3.04 C ATOM 358 SG CYS A 28 -2.371 -13.990 -19.009 1.00 44.32 S ATOM 0 H CYS A 28 -1.157 -17.940 -19.042 1.00 14.22 H new ATOM 0 HA CYS A 28 0.021 -15.760 -17.613 1.00 43.40 H new ATOM 0 HB2 CYS A 28 -0.447 -15.199 -19.801 1.00 3.04 H new ATOM 0 HB3 CYS A 28 -1.893 -16.187 -19.868 1.00 3.04 H new ATOM 363 N CYS A 29 -3.143 -16.521 -17.013 1.00 1.21 N ATOM 364 CA CYS A 29 -4.225 -16.353 -16.050 1.00 61.33 C ATOM 365 C CYS A 29 -3.726 -16.582 -14.626 1.00 74.33 C ATOM 366 O CYS A 29 -4.185 -15.936 -13.685 1.00 73.42 O ATOM 367 CB CYS A 29 -5.369 -17.320 -16.364 1.00 25.13 C ATOM 368 SG CYS A 29 -6.373 -16.841 -17.806 1.00 61.00 S ATOM 0 H CYS A 29 -3.363 -17.144 -17.790 1.00 1.21 H new ATOM 0 HA CYS A 29 -4.592 -15.329 -16.127 1.00 61.33 H new ATOM 0 HB2 CYS A 29 -4.954 -18.313 -16.537 1.00 25.13 H new ATOM 0 HB3 CYS A 29 -6.018 -17.394 -15.491 1.00 25.13 H new ATOM 373 N GLY A 30 -2.783 -17.507 -14.477 1.00 21.31 N ATOM 374 CA GLY A 30 -2.237 -17.805 -13.166 1.00 33.44 C ATOM 375 C GLY A 30 -1.700 -16.572 -12.467 1.00 63.12 C ATOM 376 O GLY A 30 -1.916 -16.383 -11.271 1.00 74.50 O ATOM 0 H GLY A 30 -2.387 -18.055 -15.241 1.00 21.31 H new ATOM 0 HA2 GLY A 30 -3.011 -18.261 -12.549 1.00 33.44 H new ATOM 0 HA3 GLY A 30 -1.437 -18.539 -13.267 1.00 33.44 H new ATOM 380 N GLY A 31 -0.994 -15.730 -13.216 1.00 52.22 N ATOM 381 CA GLY A 31 -0.433 -14.520 -12.644 1.00 53.20 C ATOM 382 C GLY A 31 -1.479 -13.446 -12.418 1.00 74.40 C ATOM 383 O GLY A 31 -1.478 -12.776 -11.386 1.00 14.24 O ATOM 0 H GLY A 31 -0.801 -15.864 -14.208 1.00 52.22 H new ATOM 0 HA2 GLY A 31 0.048 -14.759 -11.696 1.00 53.20 H new ATOM 0 HA3 GLY A 31 0.342 -14.134 -13.306 1.00 53.20 H new ATOM 387 N VAL A 32 -2.375 -13.281 -13.387 1.00 24.23 N ATOM 388 CA VAL A 32 -3.431 -12.281 -13.289 1.00 60.11 C ATOM 389 C VAL A 32 -4.165 -12.385 -11.957 1.00 71.30 C ATOM 390 O VAL A 32 -4.441 -11.377 -11.307 1.00 13.12 O ATOM 391 CB VAL A 32 -4.449 -12.426 -14.436 1.00 44.32 C ATOM 392 CG1 VAL A 32 -5.555 -11.391 -14.302 1.00 52.22 C ATOM 393 CG2 VAL A 32 -3.753 -12.303 -15.784 1.00 20.05 C ATOM 0 H VAL A 32 -2.390 -13.827 -14.248 1.00 24.23 H new ATOM 0 HA VAL A 32 -2.950 -11.305 -13.360 1.00 60.11 H new ATOM 0 HB VAL A 32 -4.901 -13.416 -14.375 1.00 44.32 H new ATOM 0 HG11 VAL A 32 -6.265 -11.509 -15.121 1.00 52.22 H new ATOM 0 HG12 VAL A 32 -6.071 -11.531 -13.352 1.00 52.22 H new ATOM 0 HG13 VAL A 32 -5.123 -10.391 -14.337 1.00 52.22 H new ATOM 0 HG21 VAL A 32 -4.487 -12.408 -16.583 1.00 20.05 H new ATOM 0 HG22 VAL A 32 -3.273 -11.327 -15.858 1.00 20.05 H new ATOM 0 HG23 VAL A 32 -3.000 -13.086 -15.878 1.00 20.05 H new ATOM 403 N LYS A 33 -4.479 -13.612 -11.555 1.00 64.31 N ATOM 404 CA LYS A 33 -5.180 -13.851 -10.299 1.00 5.31 C ATOM 405 C LYS A 33 -4.320 -13.435 -9.109 1.00 55.31 C ATOM 406 O LYS A 33 -4.807 -12.808 -8.168 1.00 0.13 O ATOM 407 CB LYS A 33 -5.559 -15.328 -10.176 1.00 34.05 C ATOM 408 CG LYS A 33 -6.504 -15.806 -11.265 1.00 31.24 C ATOM 409 CD LYS A 33 -6.219 -17.246 -11.657 1.00 61.05 C ATOM 410 CE LYS A 33 -7.303 -17.800 -12.570 1.00 3.13 C ATOM 411 NZ LYS A 33 -7.526 -19.255 -12.346 1.00 31.15 N ATOM 0 H LYS A 33 -4.259 -14.457 -12.082 1.00 64.31 H new ATOM 0 HA LYS A 33 -6.088 -13.248 -10.298 1.00 5.31 H new ATOM 0 HB2 LYS A 33 -4.651 -15.931 -10.204 1.00 34.05 H new ATOM 0 HB3 LYS A 33 -6.023 -15.496 -9.204 1.00 34.05 H new ATOM 0 HG2 LYS A 33 -7.534 -15.719 -10.918 1.00 31.24 H new ATOM 0 HG3 LYS A 33 -6.407 -15.164 -12.140 1.00 31.24 H new ATOM 0 HD2 LYS A 33 -5.254 -17.303 -12.160 1.00 61.05 H new ATOM 0 HD3 LYS A 33 -6.148 -17.861 -10.760 1.00 61.05 H new ATOM 0 HE2 LYS A 33 -8.234 -17.259 -12.398 1.00 3.13 H new ATOM 0 HE3 LYS A 33 -7.023 -17.631 -13.610 1.00 3.13 H new ATOM 0 HZ1 LYS A 33 -8.272 -19.595 -12.987 1.00 31.15 H new ATOM 0 HZ2 LYS A 33 -6.645 -19.774 -12.534 1.00 31.15 H new ATOM 0 HZ3 LYS A 33 -7.818 -19.414 -11.360 1.00 31.15 H new ATOM 425 N LYS A 34 -3.040 -13.786 -9.158 1.00 70.11 N ATOM 426 CA LYS A 34 -2.112 -13.447 -8.086 1.00 64.21 C ATOM 427 C LYS A 34 -1.952 -11.935 -7.963 1.00 24.34 C ATOM 428 O LYS A 34 -1.858 -11.399 -6.858 1.00 3.13 O ATOM 429 CB LYS A 34 -0.749 -14.096 -8.340 1.00 1.04 C ATOM 430 CG LYS A 34 0.336 -13.625 -7.386 1.00 53.14 C ATOM 431 CD LYS A 34 1.423 -14.672 -7.218 1.00 24.51 C ATOM 432 CE LYS A 34 0.943 -15.845 -6.376 1.00 53.41 C ATOM 433 NZ LYS A 34 2.078 -16.657 -5.857 1.00 73.34 N ATOM 0 H LYS A 34 -2.621 -14.306 -9.929 1.00 70.11 H new ATOM 0 HA LYS A 34 -2.521 -13.829 -7.150 1.00 64.21 H new ATOM 0 HB2 LYS A 34 -0.850 -15.178 -8.257 1.00 1.04 H new ATOM 0 HB3 LYS A 34 -0.439 -13.883 -9.363 1.00 1.04 H new ATOM 0 HG2 LYS A 34 0.775 -12.700 -7.761 1.00 53.14 H new ATOM 0 HG3 LYS A 34 -0.105 -13.398 -6.415 1.00 53.14 H new ATOM 0 HD2 LYS A 34 1.738 -15.031 -8.198 1.00 24.51 H new ATOM 0 HD3 LYS A 34 2.296 -14.219 -6.748 1.00 24.51 H new ATOM 0 HE2 LYS A 34 0.350 -15.473 -5.540 1.00 53.41 H new ATOM 0 HE3 LYS A 34 0.288 -16.478 -6.975 1.00 53.41 H new ATOM 0 HZ1 LYS A 34 1.709 -17.446 -5.289 1.00 73.34 H new ATOM 0 HZ2 LYS A 34 2.629 -17.033 -6.655 1.00 73.34 H new ATOM 0 HZ3 LYS A 34 2.690 -16.060 -5.265 1.00 73.34 H new ATOM 447 N LEU A 35 -1.923 -11.253 -9.102 1.00 65.11 N ATOM 448 CA LEU A 35 -1.776 -9.802 -9.121 1.00 44.14 C ATOM 449 C LEU A 35 -3.000 -9.122 -8.517 1.00 31.41 C ATOM 450 O LEU A 35 -2.881 -8.296 -7.611 1.00 71.21 O ATOM 451 CB LEU A 35 -1.561 -9.310 -10.554 1.00 23.40 C ATOM 452 CG LEU A 35 -1.746 -7.810 -10.784 1.00 35.12 C ATOM 453 CD1 LEU A 35 -0.885 -7.011 -9.818 1.00 32.41 C ATOM 454 CD2 LEU A 35 -1.414 -7.446 -12.224 1.00 14.04 C ATOM 0 H LEU A 35 -1.999 -11.681 -10.025 1.00 65.11 H new ATOM 0 HA LEU A 35 -0.905 -9.542 -8.519 1.00 44.14 H new ATOM 0 HB2 LEU A 35 -0.552 -9.583 -10.863 1.00 23.40 H new ATOM 0 HB3 LEU A 35 -2.250 -9.845 -11.208 1.00 23.40 H new ATOM 0 HG LEU A 35 -2.791 -7.560 -10.599 1.00 35.12 H new ATOM 0 HD11 LEU A 35 -1.030 -5.946 -9.997 1.00 32.41 H new ATOM 0 HD12 LEU A 35 -1.171 -7.249 -8.793 1.00 32.41 H new ATOM 0 HD13 LEU A 35 0.164 -7.265 -9.970 1.00 32.41 H new ATOM 0 HD21 LEU A 35 -1.551 -6.375 -12.369 1.00 14.04 H new ATOM 0 HD22 LEU A 35 -0.378 -7.711 -12.437 1.00 14.04 H new ATOM 0 HD23 LEU A 35 -2.074 -7.991 -12.899 1.00 14.04 H new ATOM 466 N LEU A 36 -4.176 -9.477 -9.022 1.00 15.01 N ATOM 467 CA LEU A 36 -5.424 -8.903 -8.530 1.00 74.32 C ATOM 468 C LEU A 36 -5.675 -9.306 -7.080 1.00 43.44 C ATOM 469 O LEU A 36 -6.211 -8.526 -6.293 1.00 74.55 O ATOM 470 CB LEU A 36 -6.595 -9.353 -9.406 1.00 33.12 C ATOM 471 CG LEU A 36 -6.638 -8.772 -10.819 1.00 54.14 C ATOM 472 CD1 LEU A 36 -7.692 -9.481 -11.656 1.00 41.02 C ATOM 473 CD2 LEU A 36 -6.910 -7.275 -10.773 1.00 33.44 C ATOM 0 H LEU A 36 -4.292 -10.159 -9.771 1.00 15.01 H new ATOM 0 HA LEU A 36 -5.339 -7.817 -8.576 1.00 74.32 H new ATOM 0 HB2 LEU A 36 -6.569 -10.440 -9.482 1.00 33.12 H new ATOM 0 HB3 LEU A 36 -7.524 -9.091 -8.899 1.00 33.12 H new ATOM 0 HG LEU A 36 -5.666 -8.930 -11.285 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -7.708 -9.054 -12.659 1.00 41.02 H new ATOM 0 HD12 LEU A 36 -7.454 -10.543 -11.718 1.00 41.02 H new ATOM 0 HD13 LEU A 36 -8.670 -9.355 -11.192 1.00 41.02 H new ATOM 0 HD21 LEU A 36 -6.937 -6.879 -11.788 1.00 33.44 H new ATOM 0 HD22 LEU A 36 -7.869 -7.094 -10.287 1.00 33.44 H new ATOM 0 HD23 LEU A 36 -6.119 -6.779 -10.211 1.00 33.44 H new ATOM 485 N ALA A 37 -5.280 -10.527 -6.734 1.00 53.50 N ATOM 486 CA ALA A 37 -5.458 -11.031 -5.378 1.00 1.30 C ATOM 487 C ALA A 37 -4.629 -10.229 -4.381 1.00 4.50 C ATOM 488 O ALA A 37 -4.932 -10.198 -3.189 1.00 35.31 O ATOM 489 CB ALA A 37 -5.087 -12.505 -5.310 1.00 54.12 C ATOM 0 H ALA A 37 -4.835 -11.185 -7.374 1.00 53.50 H new ATOM 0 HA ALA A 37 -6.509 -10.919 -5.110 1.00 1.30 H new ATOM 0 HB1 ALA A 37 -5.225 -12.868 -4.292 1.00 54.12 H new ATOM 0 HB2 ALA A 37 -5.725 -13.072 -5.987 1.00 54.12 H new ATOM 0 HB3 ALA A 37 -4.045 -12.632 -5.603 1.00 54.12 H new ATOM 495 N ALA A 38 -3.580 -9.580 -4.877 1.00 24.51 N ATOM 496 CA ALA A 38 -2.707 -8.777 -4.029 1.00 74.04 C ATOM 497 C ALA A 38 -3.261 -7.367 -3.852 1.00 32.44 C ATOM 498 O ALA A 38 -3.178 -6.790 -2.768 1.00 52.12 O ATOM 499 CB ALA A 38 -1.304 -8.725 -4.615 1.00 52.12 C ATOM 0 H ALA A 38 -3.314 -9.595 -5.862 1.00 24.51 H new ATOM 0 HA ALA A 38 -2.661 -9.248 -3.047 1.00 74.04 H new ATOM 0 HB1 ALA A 38 -0.663 -8.122 -3.972 1.00 52.12 H new ATOM 0 HB2 ALA A 38 -0.901 -9.735 -4.685 1.00 52.12 H new ATOM 0 HB3 ALA A 38 -1.341 -8.280 -5.609 1.00 52.12 H new ATOM 505 N ALA A 39 -3.825 -6.819 -4.923 1.00 14.14 N ATOM 506 CA ALA A 39 -4.394 -5.477 -4.884 1.00 21.30 C ATOM 507 C ALA A 39 -5.748 -5.475 -4.182 1.00 41.25 C ATOM 508 O ALA A 39 -6.781 -5.246 -4.809 1.00 55.20 O ATOM 509 CB ALA A 39 -4.526 -4.919 -6.293 1.00 75.43 C ATOM 0 H ALA A 39 -3.900 -7.283 -5.828 1.00 14.14 H new ATOM 0 HA ALA A 39 -3.719 -4.839 -4.314 1.00 21.30 H new ATOM 0 HB1 ALA A 39 -4.952 -3.917 -6.249 1.00 75.43 H new ATOM 0 HB2 ALA A 39 -3.542 -4.875 -6.761 1.00 75.43 H new ATOM 0 HB3 ALA A 39 -5.178 -5.565 -6.881 1.00 75.43 H new ATOM 515 N ASN A 40 -5.734 -5.732 -2.879 1.00 11.25 N ATOM 516 CA ASN A 40 -6.962 -5.760 -2.092 1.00 60.31 C ATOM 517 C ASN A 40 -7.183 -4.429 -1.380 1.00 70.22 C ATOM 518 O ASN A 40 -8.251 -4.182 -0.819 1.00 1.13 O ATOM 519 CB ASN A 40 -6.910 -6.896 -1.069 1.00 34.54 C ATOM 520 CG ASN A 40 -8.283 -7.253 -0.531 1.00 61.10 C ATOM 521 OD1 ASN A 40 -8.962 -8.131 -1.064 1.00 41.44 O ATOM 522 ND2 ASN A 40 -8.698 -6.572 0.531 1.00 44.44 N ATOM 0 H ASN A 40 -4.886 -5.924 -2.345 1.00 11.25 H new ATOM 0 HA ASN A 40 -7.796 -5.930 -2.772 1.00 60.31 H new ATOM 0 HB2 ASN A 40 -6.463 -7.777 -1.530 1.00 34.54 H new ATOM 0 HB3 ASN A 40 -6.262 -6.607 -0.241 1.00 34.54 H new ATOM 0 HD21 ASN A 40 -9.613 -6.768 0.937 1.00 44.44 H new ATOM 0 HD22 ASN A 40 -8.102 -5.853 0.940 1.00 44.44 H new ATOM 529 N THR A 41 -6.166 -3.573 -1.408 1.00 20.43 N ATOM 530 CA THR A 41 -6.248 -2.268 -0.765 1.00 50.22 C ATOM 531 C THR A 41 -6.349 -1.152 -1.799 1.00 4.23 C ATOM 532 O THR A 41 -6.093 -1.364 -2.985 1.00 1.05 O ATOM 533 CB THR A 41 -5.027 -2.008 0.137 1.00 20.02 C ATOM 534 OG1 THR A 41 -3.937 -2.848 -0.259 1.00 52.14 O ATOM 535 CG2 THR A 41 -5.368 -2.267 1.597 1.00 51.31 C ATOM 0 H THR A 41 -5.276 -3.761 -1.869 1.00 20.43 H new ATOM 0 HA THR A 41 -7.149 -2.274 -0.151 1.00 50.22 H new ATOM 0 HB THR A 41 -4.738 -0.963 0.027 1.00 20.02 H new ATOM 0 HG1 THR A 41 -3.295 -2.921 0.478 1.00 52.14 H new ATOM 0 HG21 THR A 41 -4.490 -2.077 2.215 1.00 51.31 H new ATOM 0 HG22 THR A 41 -6.178 -1.606 1.904 1.00 51.31 H new ATOM 0 HG23 THR A 41 -5.680 -3.304 1.719 1.00 51.31 H new ATOM 543 N THR A 42 -6.722 0.040 -1.342 1.00 71.40 N ATOM 544 CA THR A 42 -6.857 1.190 -2.227 1.00 62.52 C ATOM 545 C THR A 42 -5.504 1.611 -2.790 1.00 55.33 C ATOM 546 O THR A 42 -5.323 1.744 -4.001 1.00 12.43 O ATOM 547 CB THR A 42 -7.493 2.388 -1.498 1.00 50.13 C ATOM 548 OG1 THR A 42 -8.899 2.171 -1.333 1.00 23.23 O ATOM 549 CG2 THR A 42 -7.262 3.677 -2.272 1.00 43.14 C ATOM 0 H THR A 42 -6.936 0.234 -0.364 1.00 71.40 H new ATOM 0 HA THR A 42 -7.509 0.885 -3.045 1.00 62.52 H new ATOM 0 HB THR A 42 -7.022 2.481 -0.519 1.00 50.13 H new ATOM 0 HG1 THR A 42 -9.296 2.936 -0.867 1.00 23.23 H new ATOM 0 HG21 THR A 42 -7.720 4.509 -1.738 1.00 43.14 H new ATOM 0 HG22 THR A 42 -6.191 3.855 -2.371 1.00 43.14 H new ATOM 0 HG23 THR A 42 -7.709 3.592 -3.263 1.00 43.14 H new ATOM 557 N PRO A 43 -4.530 1.827 -1.894 1.00 34.43 N ATOM 558 CA PRO A 43 -3.176 2.235 -2.279 1.00 13.43 C ATOM 559 C PRO A 43 -2.413 1.121 -2.986 1.00 73.41 C ATOM 560 O PRO A 43 -1.345 1.350 -3.553 1.00 23.30 O ATOM 561 CB PRO A 43 -2.513 2.572 -0.941 1.00 33.44 C ATOM 562 CG PRO A 43 -3.260 1.765 0.065 1.00 2.12 C ATOM 563 CD PRO A 43 -4.676 1.687 -0.435 1.00 23.10 C ATOM 0 HA PRO A 43 -3.186 3.064 -2.986 1.00 13.43 H new ATOM 0 HB2 PRO A 43 -1.454 2.314 -0.948 1.00 33.44 H new ATOM 0 HB3 PRO A 43 -2.580 3.638 -0.723 1.00 33.44 H new ATOM 0 HG2 PRO A 43 -2.827 0.770 0.167 1.00 2.12 H new ATOM 0 HG3 PRO A 43 -3.219 2.233 1.049 1.00 2.12 H new ATOM 0 HD2 PRO A 43 -5.145 0.740 -0.167 1.00 23.10 H new ATOM 0 HD3 PRO A 43 -5.295 2.480 -0.015 1.00 23.10 H new ATOM 571 N ASP A 44 -2.969 -0.086 -2.949 1.00 44.43 N ATOM 572 CA ASP A 44 -2.341 -1.236 -3.588 1.00 62.25 C ATOM 573 C ASP A 44 -2.751 -1.335 -5.054 1.00 55.33 C ATOM 574 O ASP A 44 -1.950 -1.711 -5.910 1.00 32.33 O ATOM 575 CB ASP A 44 -2.717 -2.523 -2.853 1.00 21.41 C ATOM 576 CG ASP A 44 -1.739 -2.864 -1.746 1.00 21.51 C ATOM 577 OD1 ASP A 44 -1.109 -1.933 -1.202 1.00 50.12 O ATOM 578 OD2 ASP A 44 -1.604 -4.063 -1.423 1.00 1.14 O ATOM 0 H ASP A 44 -3.853 -0.292 -2.483 1.00 44.43 H new ATOM 0 HA ASP A 44 -1.260 -1.101 -3.540 1.00 62.25 H new ATOM 0 HB2 ASP A 44 -3.717 -2.418 -2.431 1.00 21.41 H new ATOM 0 HB3 ASP A 44 -2.756 -3.347 -3.566 1.00 21.41 H new ATOM 583 N ARG A 45 -4.005 -0.995 -5.336 1.00 41.25 N ATOM 584 CA ARG A 45 -4.523 -1.047 -6.698 1.00 64.24 C ATOM 585 C ARG A 45 -3.997 0.122 -7.525 1.00 41.53 C ATOM 586 O ARG A 45 -3.634 -0.042 -8.690 1.00 33.44 O ATOM 587 CB ARG A 45 -6.052 -1.030 -6.686 1.00 73.32 C ATOM 588 CG ARG A 45 -6.665 -2.054 -5.744 1.00 52.42 C ATOM 589 CD ARG A 45 -7.555 -3.035 -6.491 1.00 30.23 C ATOM 590 NE ARG A 45 -8.689 -3.471 -5.680 1.00 70.43 N ATOM 591 CZ ARG A 45 -9.715 -2.687 -5.369 1.00 42.11 C ATOM 592 NH1 ARG A 45 -9.749 -1.433 -5.799 1.00 1.05 N ATOM 593 NH2 ARG A 45 -10.710 -3.157 -4.627 1.00 43.42 N ATOM 0 H ARG A 45 -4.681 -0.681 -4.639 1.00 41.25 H new ATOM 0 HA ARG A 45 -4.181 -1.976 -7.155 1.00 64.24 H new ATOM 0 HB2 ARG A 45 -6.394 -0.035 -6.400 1.00 73.32 H new ATOM 0 HB3 ARG A 45 -6.417 -1.214 -7.696 1.00 73.32 H new ATOM 0 HG2 ARG A 45 -5.872 -2.598 -5.231 1.00 52.42 H new ATOM 0 HG3 ARG A 45 -7.248 -1.542 -4.978 1.00 52.42 H new ATOM 0 HD2 ARG A 45 -7.921 -2.569 -7.406 1.00 30.23 H new ATOM 0 HD3 ARG A 45 -6.967 -3.903 -6.789 1.00 30.23 H new ATOM 0 HE ARG A 45 -8.693 -4.430 -5.333 1.00 70.43 H new ATOM 0 HH11 ARG A 45 -8.986 -1.069 -6.370 1.00 1.05 H new ATOM 0 HH12 ARG A 45 -10.538 -0.833 -5.559 1.00 1.05 H new ATOM 0 HH21 ARG A 45 -10.687 -4.121 -4.295 1.00 43.42 H new ATOM 0 HH22 ARG A 45 -11.497 -2.554 -4.389 1.00 43.42 H new ATOM 607 N GLN A 46 -3.960 1.303 -6.915 1.00 23.52 N ATOM 608 CA GLN A 46 -3.480 2.499 -7.596 1.00 4.35 C ATOM 609 C GLN A 46 -2.077 2.282 -8.154 1.00 11.30 C ATOM 610 O GLN A 46 -1.819 2.542 -9.329 1.00 74.40 O ATOM 611 CB GLN A 46 -3.481 3.692 -6.637 1.00 70.24 C ATOM 612 CG GLN A 46 -4.861 4.042 -6.104 1.00 42.12 C ATOM 613 CD GLN A 46 -4.803 4.849 -4.822 1.00 35.20 C ATOM 614 OE1 GLN A 46 -3.759 4.936 -4.176 1.00 21.32 O ATOM 615 NE2 GLN A 46 -5.929 5.445 -4.446 1.00 70.14 N ATOM 0 H GLN A 46 -4.257 1.456 -5.951 1.00 23.52 H new ATOM 0 HA GLN A 46 -4.153 2.708 -8.427 1.00 4.35 H new ATOM 0 HB2 GLN A 46 -2.821 3.473 -5.798 1.00 70.24 H new ATOM 0 HB3 GLN A 46 -3.068 4.560 -7.150 1.00 70.24 H new ATOM 0 HG2 GLN A 46 -5.406 4.607 -6.860 1.00 42.12 H new ATOM 0 HG3 GLN A 46 -5.421 3.124 -5.926 1.00 42.12 H new ATOM 0 HE21 GLN A 46 -6.772 5.346 -5.012 1.00 70.14 H new ATOM 0 HE22 GLN A 46 -5.951 6.001 -3.591 1.00 70.14 H new ATOM 624 N ALA A 47 -1.174 1.806 -7.303 1.00 71.54 N ATOM 625 CA ALA A 47 0.202 1.552 -7.713 1.00 12.25 C ATOM 626 C ALA A 47 0.266 0.467 -8.782 1.00 54.43 C ATOM 627 O ALA A 47 0.872 0.657 -9.836 1.00 62.41 O ATOM 628 CB ALA A 47 1.047 1.160 -6.509 1.00 55.03 C ATOM 0 H ALA A 47 -1.370 1.589 -6.326 1.00 71.54 H new ATOM 0 HA ALA A 47 0.603 2.471 -8.142 1.00 12.25 H new ATOM 0 HB1 ALA A 47 2.072 0.973 -6.829 1.00 55.03 H new ATOM 0 HB2 ALA A 47 1.037 1.969 -5.778 1.00 55.03 H new ATOM 0 HB3 ALA A 47 0.638 0.257 -6.056 1.00 55.03 H new ATOM 634 N ALA A 48 -0.364 -0.670 -8.504 1.00 3.43 N ATOM 635 CA ALA A 48 -0.379 -1.784 -9.443 1.00 33.10 C ATOM 636 C ALA A 48 -0.807 -1.325 -10.833 1.00 14.13 C ATOM 637 O ALA A 48 -0.161 -1.646 -11.830 1.00 41.14 O ATOM 638 CB ALA A 48 -1.302 -2.885 -8.941 1.00 13.51 C ATOM 0 H ALA A 48 -0.871 -0.843 -7.636 1.00 3.43 H new ATOM 0 HA ALA A 48 0.634 -2.179 -9.516 1.00 33.10 H new ATOM 0 HB1 ALA A 48 -1.304 -3.711 -9.652 1.00 13.51 H new ATOM 0 HB2 ALA A 48 -0.951 -3.241 -7.972 1.00 13.51 H new ATOM 0 HB3 ALA A 48 -2.314 -2.493 -8.838 1.00 13.51 H new ATOM 644 N CYS A 49 -1.901 -0.573 -10.891 1.00 52.33 N ATOM 645 CA CYS A 49 -2.417 -0.070 -12.159 1.00 11.12 C ATOM 646 C CYS A 49 -1.440 0.917 -12.791 1.00 2.24 C ATOM 647 O CYS A 49 -1.006 0.735 -13.927 1.00 41.22 O ATOM 648 CB CYS A 49 -3.775 0.603 -11.950 1.00 11.03 C ATOM 649 SG CYS A 49 -4.644 1.021 -13.495 1.00 63.25 S ATOM 0 H CYS A 49 -2.447 -0.298 -10.075 1.00 52.33 H new ATOM 0 HA CYS A 49 -2.539 -0.917 -12.835 1.00 11.12 H new ATOM 0 HB2 CYS A 49 -4.408 -0.057 -11.357 1.00 11.03 H new ATOM 0 HB3 CYS A 49 -3.631 1.514 -11.369 1.00 11.03 H new ATOM 654 N ASN A 50 -1.098 1.963 -12.044 1.00 72.35 N ATOM 655 CA ASN A 50 -0.173 2.979 -12.531 1.00 45.22 C ATOM 656 C ASN A 50 1.106 2.340 -13.065 1.00 73.04 C ATOM 657 O ASN A 50 1.743 2.868 -13.977 1.00 73.24 O ATOM 658 CB ASN A 50 0.167 3.967 -11.413 1.00 53.12 C ATOM 659 CG ASN A 50 -1.053 4.717 -10.914 1.00 75.41 C ATOM 660 OD1 ASN A 50 -1.016 5.136 -9.655 1.00 73.23 O flip ATOM 661 ND2 ASN A 50 -2.018 4.916 -11.652 1.00 4.42 N flip ATOM 0 H ASN A 50 -1.448 2.128 -11.100 1.00 72.35 H new ATOM 0 HA ASN A 50 -0.659 3.515 -13.346 1.00 45.22 H new ATOM 0 HB2 ASN A 50 0.624 3.429 -10.583 1.00 53.12 H new ATOM 0 HB3 ASN A 50 0.906 4.681 -11.775 1.00 53.12 H new ATOM 0 HD21 ASN A 50 -2.003 4.576 -12.613 1.00 4.42 H new ATOM 0 HD22 ASN A 50 -2.832 5.421 -11.302 1.00 4.42 H new ATOM 668 N CYS A 51 1.475 1.200 -12.492 1.00 31.34 N ATOM 669 CA CYS A 51 2.676 0.487 -12.909 1.00 3.12 C ATOM 670 C CYS A 51 2.502 -0.101 -14.306 1.00 43.12 C ATOM 671 O CYS A 51 3.341 0.101 -15.186 1.00 21.35 O ATOM 672 CB CYS A 51 3.006 -0.626 -11.913 1.00 31.35 C ATOM 673 SG CYS A 51 3.998 -0.078 -10.487 1.00 24.34 S ATOM 0 H CYS A 51 0.959 0.749 -11.736 1.00 31.34 H new ATOM 0 HA CYS A 51 3.501 1.199 -12.934 1.00 3.12 H new ATOM 0 HB2 CYS A 51 2.075 -1.061 -11.549 1.00 31.35 H new ATOM 0 HB3 CYS A 51 3.545 -1.417 -12.434 1.00 31.35 H new ATOM 678 N LEU A 52 1.408 -0.828 -14.504 1.00 25.22 N ATOM 679 CA LEU A 52 1.123 -1.446 -15.794 1.00 41.23 C ATOM 680 C LEU A 52 0.789 -0.389 -16.842 1.00 11.42 C ATOM 681 O LEU A 52 1.362 -0.376 -17.932 1.00 12.45 O ATOM 682 CB LEU A 52 -0.036 -2.435 -15.663 1.00 54.23 C ATOM 683 CG LEU A 52 0.151 -3.557 -14.642 1.00 70.30 C ATOM 684 CD1 LEU A 52 -1.029 -4.517 -14.681 1.00 5.42 C ATOM 685 CD2 LEU A 52 1.454 -4.300 -14.899 1.00 72.44 C ATOM 0 H LEU A 52 0.704 -1.004 -13.788 1.00 25.22 H new ATOM 0 HA LEU A 52 2.015 -1.982 -16.117 1.00 41.23 H new ATOM 0 HB2 LEU A 52 -0.935 -1.878 -15.400 1.00 54.23 H new ATOM 0 HB3 LEU A 52 -0.215 -2.886 -16.639 1.00 54.23 H new ATOM 0 HG LEU A 52 0.199 -3.113 -13.648 1.00 70.30 H new ATOM 0 HD11 LEU A 52 -0.878 -5.309 -13.947 1.00 5.42 H new ATOM 0 HD12 LEU A 52 -1.946 -3.976 -14.448 1.00 5.42 H new ATOM 0 HD13 LEU A 52 -1.109 -4.955 -15.676 1.00 5.42 H new ATOM 0 HD21 LEU A 52 1.571 -5.095 -14.163 1.00 72.44 H new ATOM 0 HD22 LEU A 52 1.435 -4.732 -15.900 1.00 72.44 H new ATOM 0 HD23 LEU A 52 2.291 -3.606 -14.819 1.00 72.44 H new ATOM 697 N LYS A 53 -0.141 0.498 -16.504 1.00 2.41 N ATOM 698 CA LYS A 53 -0.550 1.563 -17.413 1.00 21.42 C ATOM 699 C LYS A 53 0.665 2.274 -18.000 1.00 61.52 C ATOM 700 O LYS A 53 0.795 2.398 -19.218 1.00 15.10 O ATOM 701 CB LYS A 53 -1.440 2.571 -16.683 1.00 33.32 C ATOM 702 CG LYS A 53 -2.807 2.750 -17.321 1.00 63.34 C ATOM 703 CD LYS A 53 -3.668 3.722 -16.533 1.00 43.30 C ATOM 704 CE LYS A 53 -3.429 5.159 -16.971 1.00 11.31 C ATOM 705 NZ LYS A 53 -2.469 5.860 -16.074 1.00 15.44 N ATOM 0 H LYS A 53 -0.626 0.501 -15.607 1.00 2.41 H new ATOM 0 HA LYS A 53 -1.115 1.113 -18.229 1.00 21.42 H new ATOM 0 HB2 LYS A 53 -1.570 2.247 -15.650 1.00 33.32 H new ATOM 0 HB3 LYS A 53 -0.933 3.536 -16.653 1.00 33.32 H new ATOM 0 HG2 LYS A 53 -2.688 3.113 -18.342 1.00 63.34 H new ATOM 0 HG3 LYS A 53 -3.310 1.785 -17.383 1.00 63.34 H new ATOM 0 HD2 LYS A 53 -4.720 3.470 -16.667 1.00 43.30 H new ATOM 0 HD3 LYS A 53 -3.450 3.623 -15.470 1.00 43.30 H new ATOM 0 HE2 LYS A 53 -3.046 5.169 -17.991 1.00 11.31 H new ATOM 0 HE3 LYS A 53 -4.376 5.698 -16.981 1.00 11.31 H new ATOM 0 HZ1 LYS A 53 -2.582 6.888 -16.180 1.00 15.44 H new ATOM 0 HZ2 LYS A 53 -2.656 5.591 -15.087 1.00 15.44 H new ATOM 0 HZ3 LYS A 53 -1.497 5.591 -16.328 1.00 15.44 H new ATOM 719 N SER A 54 1.554 2.737 -17.127 1.00 34.42 N ATOM 720 CA SER A 54 2.757 3.437 -17.559 1.00 43.04 C ATOM 721 C SER A 54 3.600 2.554 -18.475 1.00 52.54 C ATOM 722 O SER A 54 4.095 3.006 -19.507 1.00 41.42 O ATOM 723 CB SER A 54 3.584 3.870 -16.347 1.00 64.14 C ATOM 724 OG SER A 54 4.841 4.390 -16.747 1.00 14.23 O ATOM 0 H SER A 54 1.463 2.640 -16.116 1.00 34.42 H new ATOM 0 HA SER A 54 2.452 4.322 -18.117 1.00 43.04 H new ATOM 0 HB2 SER A 54 3.038 4.625 -15.781 1.00 64.14 H new ATOM 0 HB3 SER A 54 3.734 3.019 -15.682 1.00 64.14 H new ATOM 0 HG SER A 54 5.350 4.661 -15.955 1.00 14.23 H new ATOM 730 N ALA A 55 3.758 1.293 -18.089 1.00 74.44 N ATOM 731 CA ALA A 55 4.538 0.345 -18.876 1.00 11.24 C ATOM 732 C ALA A 55 3.885 0.086 -20.229 1.00 43.54 C ATOM 733 O ALA A 55 4.555 -0.292 -21.190 1.00 3.13 O ATOM 734 CB ALA A 55 4.709 -0.960 -18.112 1.00 52.30 C ATOM 0 H ALA A 55 3.356 0.903 -17.236 1.00 74.44 H new ATOM 0 HA ALA A 55 5.521 0.781 -19.054 1.00 11.24 H new ATOM 0 HB1 ALA A 55 5.293 -1.659 -18.711 1.00 52.30 H new ATOM 0 HB2 ALA A 55 5.227 -0.766 -17.173 1.00 52.30 H new ATOM 0 HB3 ALA A 55 3.730 -1.391 -17.904 1.00 52.30 H new ATOM 740 N ALA A 56 2.574 0.292 -20.298 1.00 42.40 N ATOM 741 CA ALA A 56 1.832 0.083 -21.535 1.00 33.43 C ATOM 742 C ALA A 56 2.039 1.242 -22.503 1.00 10.20 C ATOM 743 O ALA A 56 2.010 1.061 -23.719 1.00 62.34 O ATOM 744 CB ALA A 56 0.351 -0.100 -21.237 1.00 31.44 C ATOM 0 H ALA A 56 2.004 0.603 -19.512 1.00 42.40 H new ATOM 0 HA ALA A 56 2.212 -0.823 -22.008 1.00 33.43 H new ATOM 0 HB1 ALA A 56 -0.191 -0.255 -22.170 1.00 31.44 H new ATOM 0 HB2 ALA A 56 0.214 -0.966 -20.589 1.00 31.44 H new ATOM 0 HB3 ALA A 56 -0.032 0.790 -20.738 1.00 31.44 H new ATOM 750 N GLY A 57 2.247 2.435 -21.954 1.00 44.44 N ATOM 751 CA GLY A 57 2.456 3.607 -22.785 1.00 14.44 C ATOM 752 C GLY A 57 3.677 3.479 -23.673 1.00 4.35 C ATOM 753 O GLY A 57 3.770 4.134 -24.711 1.00 3.55 O ATOM 0 H GLY A 57 2.275 2.611 -20.950 1.00 44.44 H new ATOM 0 HA2 GLY A 57 1.575 3.770 -23.406 1.00 14.44 H new ATOM 0 HA3 GLY A 57 2.564 4.485 -22.148 1.00 14.44 H new ATOM 757 N SER A 58 4.618 2.634 -23.264 1.00 4.35 N ATOM 758 CA SER A 58 5.843 2.427 -24.027 1.00 24.43 C ATOM 759 C SER A 58 5.673 1.290 -25.030 1.00 35.12 C ATOM 760 O SER A 58 6.615 0.919 -25.730 1.00 72.13 O ATOM 761 CB SER A 58 7.010 2.120 -23.085 1.00 50.35 C ATOM 762 OG SER A 58 7.306 3.234 -22.260 1.00 74.15 O ATOM 0 H SER A 58 4.555 2.082 -22.409 1.00 4.35 H new ATOM 0 HA SER A 58 6.059 3.344 -24.576 1.00 24.43 H new ATOM 0 HB2 SER A 58 6.763 1.259 -22.464 1.00 50.35 H new ATOM 0 HB3 SER A 58 7.891 1.851 -23.668 1.00 50.35 H new ATOM 0 HG SER A 58 8.054 3.012 -21.666 1.00 74.15 H new ATOM 768 N ILE A 59 4.464 0.742 -25.093 1.00 31.54 N ATOM 769 CA ILE A 59 4.168 -0.352 -26.010 1.00 4.10 C ATOM 770 C ILE A 59 3.330 0.131 -27.189 1.00 31.23 C ATOM 771 O ILE A 59 2.396 0.916 -27.021 1.00 60.12 O ATOM 772 CB ILE A 59 3.423 -1.497 -25.299 1.00 62.23 C ATOM 773 CG1 ILE A 59 4.007 -1.726 -23.903 1.00 53.35 C ATOM 774 CG2 ILE A 59 3.499 -2.772 -26.126 1.00 42.03 C ATOM 775 CD1 ILE A 59 3.339 -2.852 -23.147 1.00 21.45 C ATOM 0 H ILE A 59 3.674 1.038 -24.520 1.00 31.54 H new ATOM 0 HA ILE A 59 5.125 -0.725 -26.376 1.00 4.10 H new ATOM 0 HB ILE A 59 2.375 -1.218 -25.192 1.00 62.23 H new ATOM 0 HG12 ILE A 59 5.072 -1.942 -23.994 1.00 53.35 H new ATOM 0 HG13 ILE A 59 3.916 -0.807 -23.325 1.00 53.35 H new ATOM 0 HG21 ILE A 59 2.968 -3.572 -25.611 1.00 42.03 H new ATOM 0 HG22 ILE A 59 3.041 -2.602 -27.100 1.00 42.03 H new ATOM 0 HG23 ILE A 59 4.543 -3.057 -26.260 1.00 42.03 H new ATOM 0 HD11 ILE A 59 3.803 -2.958 -22.167 1.00 21.45 H new ATOM 0 HD12 ILE A 59 2.279 -2.629 -23.024 1.00 21.45 H new ATOM 0 HD13 ILE A 59 3.452 -3.782 -23.704 1.00 21.45 H new ATOM 787 N THR A 60 3.668 -0.345 -28.383 1.00 62.40 N ATOM 788 CA THR A 60 2.947 0.036 -29.590 1.00 52.54 C ATOM 789 C THR A 60 1.996 -1.069 -30.036 1.00 3.02 C ATOM 790 O THR A 60 0.962 -0.804 -30.649 1.00 43.52 O ATOM 791 CB THR A 60 3.914 0.362 -30.744 1.00 24.51 C ATOM 792 OG1 THR A 60 3.229 1.092 -31.767 1.00 41.21 O ATOM 793 CG2 THR A 60 4.504 -0.912 -31.331 1.00 75.12 C ATOM 0 H THR A 60 4.438 -0.996 -28.540 1.00 62.40 H new ATOM 0 HA THR A 60 2.372 0.929 -29.344 1.00 52.54 H new ATOM 0 HB THR A 60 4.726 0.971 -30.347 1.00 24.51 H new ATOM 0 HG1 THR A 60 3.852 1.296 -32.496 1.00 41.21 H new ATOM 0 HG21 THR A 60 5.184 -0.657 -32.144 1.00 75.12 H new ATOM 0 HG22 THR A 60 5.050 -1.450 -30.557 1.00 75.12 H new ATOM 0 HG23 THR A 60 3.701 -1.542 -31.713 1.00 75.12 H new ATOM 801 N LYS A 61 2.352 -2.310 -29.723 1.00 21.31 N ATOM 802 CA LYS A 61 1.530 -3.458 -30.089 1.00 1.41 C ATOM 803 C LYS A 61 0.554 -3.807 -28.970 1.00 1.31 C ATOM 804 O LYS A 61 -0.053 -4.879 -28.973 1.00 45.22 O ATOM 805 CB LYS A 61 2.415 -4.666 -30.403 1.00 43.23 C ATOM 806 CG LYS A 61 3.185 -4.533 -31.706 1.00 23.02 C ATOM 807 CD LYS A 61 3.630 -5.888 -32.231 1.00 40.32 C ATOM 808 CE LYS A 61 2.470 -6.655 -32.847 1.00 41.33 C ATOM 809 NZ LYS A 61 1.872 -5.925 -33.999 1.00 13.40 N ATOM 0 H LYS A 61 3.205 -2.547 -29.216 1.00 21.31 H new ATOM 0 HA LYS A 61 0.957 -3.194 -30.978 1.00 1.41 H new ATOM 0 HB2 LYS A 61 3.122 -4.810 -29.586 1.00 43.23 H new ATOM 0 HB3 LYS A 61 1.793 -5.560 -30.448 1.00 43.23 H new ATOM 0 HG2 LYS A 61 2.560 -4.041 -32.451 1.00 23.02 H new ATOM 0 HG3 LYS A 61 4.057 -3.897 -31.551 1.00 23.02 H new ATOM 0 HD2 LYS A 61 4.414 -5.751 -32.976 1.00 40.32 H new ATOM 0 HD3 LYS A 61 4.062 -6.471 -31.417 1.00 40.32 H new ATOM 0 HE2 LYS A 61 2.817 -7.634 -33.178 1.00 41.33 H new ATOM 0 HE3 LYS A 61 1.705 -6.827 -32.090 1.00 41.33 H new ATOM 0 HZ1 LYS A 61 1.365 -6.597 -34.610 1.00 13.40 H new ATOM 0 HZ2 LYS A 61 1.207 -5.207 -33.647 1.00 13.40 H new ATOM 0 HZ3 LYS A 61 2.626 -5.461 -34.545 1.00 13.40 H new ATOM 823 N LEU A 62 0.406 -2.895 -28.015 1.00 31.53 N ATOM 824 CA LEU A 62 -0.498 -3.106 -26.890 1.00 33.54 C ATOM 825 C LEU A 62 -1.948 -3.161 -27.359 1.00 75.53 C ATOM 826 O LEU A 62 -2.428 -2.250 -28.032 1.00 13.25 O ATOM 827 CB LEU A 62 -0.327 -1.992 -25.856 1.00 40.21 C ATOM 828 CG LEU A 62 -1.326 -1.990 -24.699 1.00 15.11 C ATOM 829 CD1 LEU A 62 -0.964 -3.058 -23.679 1.00 74.41 C ATOM 830 CD2 LEU A 62 -1.379 -0.618 -24.042 1.00 22.54 C ATOM 0 H LEU A 62 0.900 -2.003 -27.997 1.00 31.53 H new ATOM 0 HA LEU A 62 -0.248 -4.062 -26.430 1.00 33.54 H new ATOM 0 HB2 LEU A 62 0.679 -2.060 -25.441 1.00 40.21 H new ATOM 0 HB3 LEU A 62 -0.395 -1.033 -26.370 1.00 40.21 H new ATOM 0 HG LEU A 62 -2.315 -2.218 -25.098 1.00 15.11 H new ATOM 0 HD11 LEU A 62 -1.686 -3.041 -22.863 1.00 74.41 H new ATOM 0 HD12 LEU A 62 -0.979 -4.038 -24.157 1.00 74.41 H new ATOM 0 HD13 LEU A 62 0.033 -2.862 -23.285 1.00 74.41 H new ATOM 0 HD21 LEU A 62 -2.095 -0.635 -23.221 1.00 22.54 H new ATOM 0 HD22 LEU A 62 -0.392 -0.360 -23.658 1.00 22.54 H new ATOM 0 HD23 LEU A 62 -1.688 0.126 -24.777 1.00 22.54 H new ATOM 842 N ASN A 63 -2.642 -4.237 -26.998 1.00 44.55 N ATOM 843 CA ASN A 63 -4.038 -4.410 -27.382 1.00 11.33 C ATOM 844 C ASN A 63 -4.963 -4.168 -26.192 1.00 44.14 C ATOM 845 O ASN A 63 -5.274 -5.088 -25.436 1.00 25.44 O ATOM 846 CB ASN A 63 -4.265 -5.816 -27.941 1.00 3.24 C ATOM 847 CG ASN A 63 -3.596 -6.018 -29.287 1.00 14.42 C ATOM 848 OD1 ASN A 63 -2.373 -5.941 -29.403 1.00 12.41 O ATOM 849 ND2 ASN A 63 -4.399 -6.277 -30.313 1.00 21.14 N ATOM 0 H ASN A 63 -2.260 -5.001 -26.441 1.00 44.55 H new ATOM 0 HA ASN A 63 -4.270 -3.678 -28.155 1.00 11.33 H new ATOM 0 HB2 ASN A 63 -3.882 -6.551 -27.234 1.00 3.24 H new ATOM 0 HB3 ASN A 63 -5.335 -5.996 -28.040 1.00 3.24 H new ATOM 0 HD21 ASN A 63 -4.007 -6.421 -31.244 1.00 21.14 H new ATOM 0 HD22 ASN A 63 -5.407 -6.332 -30.170 1.00 21.14 H new ATOM 856 N THR A 64 -5.400 -2.923 -26.033 1.00 51.43 N ATOM 857 CA THR A 64 -6.288 -2.559 -24.937 1.00 14.24 C ATOM 858 C THR A 64 -7.496 -3.487 -24.876 1.00 53.24 C ATOM 859 O THR A 64 -8.062 -3.716 -23.808 1.00 50.24 O ATOM 860 CB THR A 64 -6.779 -1.105 -25.070 1.00 4.45 C ATOM 861 OG1 THR A 64 -7.634 -0.978 -26.211 1.00 34.54 O ATOM 862 CG2 THR A 64 -5.604 -0.147 -25.202 1.00 63.41 C ATOM 0 H THR A 64 -5.153 -2.149 -26.650 1.00 51.43 H new ATOM 0 HA THR A 64 -5.711 -2.657 -24.018 1.00 14.24 H new ATOM 0 HB THR A 64 -7.337 -0.850 -24.169 1.00 4.45 H new ATOM 0 HG1 THR A 64 -7.943 -0.051 -26.287 1.00 34.54 H new ATOM 0 HG21 THR A 64 -5.975 0.874 -25.295 1.00 63.41 H new ATOM 0 HG22 THR A 64 -4.971 -0.224 -24.318 1.00 63.41 H new ATOM 0 HG23 THR A 64 -5.023 -0.404 -26.088 1.00 63.41 H new ATOM 870 N ASN A 65 -7.886 -4.019 -26.030 1.00 41.13 N ATOM 871 CA ASN A 65 -9.028 -4.923 -26.108 1.00 64.02 C ATOM 872 C ASN A 65 -8.759 -6.207 -25.330 1.00 24.33 C ATOM 873 O ASN A 65 -9.636 -6.719 -24.636 1.00 23.44 O ATOM 874 CB ASN A 65 -9.343 -5.255 -27.568 1.00 52.11 C ATOM 875 CG ASN A 65 -10.337 -4.286 -28.180 1.00 22.15 C ATOM 876 OD1 ASN A 65 -11.410 -4.048 -27.626 1.00 33.54 O ATOM 877 ND2 ASN A 65 -9.982 -3.722 -29.328 1.00 53.50 N ATOM 0 H ASN A 65 -7.428 -3.840 -26.924 1.00 41.13 H new ATOM 0 HA ASN A 65 -9.887 -4.422 -25.662 1.00 64.02 H new ATOM 0 HB2 ASN A 65 -8.420 -5.240 -28.148 1.00 52.11 H new ATOM 0 HB3 ASN A 65 -9.742 -6.268 -27.630 1.00 52.11 H new ATOM 0 HD21 ASN A 65 -10.609 -3.061 -29.787 1.00 53.50 H new ATOM 0 HD22 ASN A 65 -9.082 -3.949 -29.751 1.00 53.50 H new ATOM 884 N ASN A 66 -7.539 -6.722 -25.451 1.00 11.44 N ATOM 885 CA ASN A 66 -7.154 -7.946 -24.758 1.00 61.13 C ATOM 886 C ASN A 66 -6.913 -7.680 -23.276 1.00 4.35 C ATOM 887 O ASN A 66 -6.988 -8.590 -22.451 1.00 13.23 O ATOM 888 CB ASN A 66 -5.895 -8.541 -25.393 1.00 1.25 C ATOM 889 CG ASN A 66 -6.071 -8.823 -26.872 1.00 71.30 C ATOM 890 OD1 ASN A 66 -6.443 -7.939 -27.644 1.00 72.41 O ATOM 891 ND2 ASN A 66 -5.804 -10.060 -27.274 1.00 31.41 N ATOM 0 H ASN A 66 -6.801 -6.311 -26.022 1.00 11.44 H new ATOM 0 HA ASN A 66 -7.972 -8.660 -24.851 1.00 61.13 H new ATOM 0 HB2 ASN A 66 -5.061 -7.853 -25.254 1.00 1.25 H new ATOM 0 HB3 ASN A 66 -5.634 -9.466 -24.878 1.00 1.25 H new ATOM 0 HD21 ASN A 66 -5.905 -10.309 -28.258 1.00 31.41 H new ATOM 0 HD22 ASN A 66 -5.498 -10.761 -26.599 1.00 31.41 H new ATOM 898 N ALA A 67 -6.622 -6.426 -22.945 1.00 15.33 N ATOM 899 CA ALA A 67 -6.373 -6.039 -21.562 1.00 2.32 C ATOM 900 C ALA A 67 -7.668 -6.008 -20.758 1.00 13.30 C ATOM 901 O ALA A 67 -7.686 -6.357 -19.578 1.00 53.02 O ATOM 902 CB ALA A 67 -5.684 -4.683 -21.509 1.00 53.13 C ATOM 0 H ALA A 67 -6.553 -5.661 -23.616 1.00 15.33 H new ATOM 0 HA ALA A 67 -5.717 -6.786 -21.115 1.00 2.32 H new ATOM 0 HB1 ALA A 67 -5.504 -4.407 -20.470 1.00 53.13 H new ATOM 0 HB2 ALA A 67 -4.734 -4.737 -22.040 1.00 53.13 H new ATOM 0 HB3 ALA A 67 -6.320 -3.933 -21.979 1.00 53.13 H new ATOM 908 N ALA A 68 -8.750 -5.587 -21.405 1.00 15.35 N ATOM 909 CA ALA A 68 -10.051 -5.511 -20.750 1.00 24.53 C ATOM 910 C ALA A 68 -10.663 -6.898 -20.585 1.00 74.12 C ATOM 911 O ALA A 68 -11.262 -7.204 -19.555 1.00 13.14 O ATOM 912 CB ALA A 68 -10.987 -4.609 -21.539 1.00 13.55 C ATOM 0 H ALA A 68 -8.752 -5.293 -22.382 1.00 15.35 H new ATOM 0 HA ALA A 68 -9.907 -5.085 -19.757 1.00 24.53 H new ATOM 0 HB1 ALA A 68 -11.954 -4.562 -21.039 1.00 13.55 H new ATOM 0 HB2 ALA A 68 -10.561 -3.608 -21.601 1.00 13.55 H new ATOM 0 HB3 ALA A 68 -11.118 -5.010 -22.544 1.00 13.55 H new ATOM 918 N ALA A 69 -10.510 -7.733 -21.608 1.00 10.12 N ATOM 919 CA ALA A 69 -11.047 -9.087 -21.575 1.00 74.44 C ATOM 920 C ALA A 69 -10.066 -10.052 -20.918 1.00 42.14 C ATOM 921 O ALA A 69 -10.397 -11.209 -20.657 1.00 13.03 O ATOM 922 CB ALA A 69 -11.387 -9.554 -22.983 1.00 62.41 C ATOM 0 H ALA A 69 -10.019 -7.495 -22.469 1.00 10.12 H new ATOM 0 HA ALA A 69 -11.958 -9.075 -20.977 1.00 74.44 H new ATOM 0 HB1 ALA A 69 -11.787 -10.567 -22.944 1.00 62.41 H new ATOM 0 HB2 ALA A 69 -12.131 -8.887 -23.418 1.00 62.41 H new ATOM 0 HB3 ALA A 69 -10.487 -9.543 -23.597 1.00 62.41 H new ATOM 928 N LEU A 70 -8.857 -9.569 -20.655 1.00 25.34 N ATOM 929 CA LEU A 70 -7.825 -10.389 -20.028 1.00 74.42 C ATOM 930 C LEU A 70 -8.319 -10.969 -18.706 1.00 42.52 C ATOM 931 O LEU A 70 -8.365 -12.183 -18.511 1.00 73.32 O ATOM 932 CB LEU A 70 -6.560 -9.562 -19.795 1.00 61.31 C ATOM 933 CG LEU A 70 -5.692 -9.983 -18.608 1.00 53.23 C ATOM 934 CD1 LEU A 70 -5.191 -11.407 -18.792 1.00 3.32 C ATOM 935 CD2 LEU A 70 -4.525 -9.022 -18.434 1.00 62.43 C ATOM 0 H LEU A 70 -8.567 -8.614 -20.866 1.00 25.34 H new ATOM 0 HA LEU A 70 -7.592 -11.214 -20.701 1.00 74.42 H new ATOM 0 HB2 LEU A 70 -5.951 -9.604 -20.698 1.00 61.31 H new ATOM 0 HB3 LEU A 70 -6.851 -8.521 -19.655 1.00 61.31 H new ATOM 0 HG LEU A 70 -6.302 -9.949 -17.705 1.00 53.23 H new ATOM 0 HD11 LEU A 70 -4.575 -11.689 -17.938 1.00 3.32 H new ATOM 0 HD12 LEU A 70 -6.041 -12.085 -18.866 1.00 3.32 H new ATOM 0 HD13 LEU A 70 -4.597 -11.469 -19.704 1.00 3.32 H new ATOM 0 HD21 LEU A 70 -3.918 -9.337 -17.585 1.00 62.43 H new ATOM 0 HD22 LEU A 70 -3.915 -9.024 -19.337 1.00 62.43 H new ATOM 0 HD23 LEU A 70 -4.905 -8.016 -18.255 1.00 62.43 H new ATOM 947 N PRO A 71 -8.698 -10.080 -17.776 1.00 34.24 N ATOM 948 CA PRO A 71 -9.198 -10.480 -16.457 1.00 31.02 C ATOM 949 C PRO A 71 -10.573 -11.136 -16.532 1.00 64.00 C ATOM 950 O PRO A 71 -10.933 -11.945 -15.678 1.00 2.32 O ATOM 951 CB PRO A 71 -9.278 -9.157 -15.692 1.00 13.42 C ATOM 952 CG PRO A 71 -9.438 -8.118 -16.748 1.00 13.15 C ATOM 953 CD PRO A 71 -8.670 -8.617 -17.940 1.00 24.14 C ATOM 0 HA PRO A 71 -8.554 -11.223 -15.986 1.00 31.02 H new ATOM 0 HB2 PRO A 71 -10.120 -9.150 -14.999 1.00 13.42 H new ATOM 0 HB3 PRO A 71 -8.378 -8.986 -15.102 1.00 13.42 H new ATOM 0 HG2 PRO A 71 -10.489 -7.971 -16.995 1.00 13.15 H new ATOM 0 HG3 PRO A 71 -9.053 -7.156 -16.410 1.00 13.15 H new ATOM 0 HD2 PRO A 71 -9.136 -8.309 -18.876 1.00 24.14 H new ATOM 0 HD3 PRO A 71 -7.650 -8.233 -17.950 1.00 24.14 H new ATOM 961 N GLY A 72 -11.337 -10.782 -17.561 1.00 21.10 N ATOM 962 CA GLY A 72 -12.663 -11.346 -17.728 1.00 73.55 C ATOM 963 C GLY A 72 -12.625 -12.788 -18.196 1.00 32.05 C ATOM 964 O GLY A 72 -13.348 -13.637 -17.674 1.00 75.12 O ATOM 0 H GLY A 72 -11.061 -10.115 -18.282 1.00 21.10 H new ATOM 0 HA2 GLY A 72 -13.201 -11.288 -16.782 1.00 73.55 H new ATOM 0 HA3 GLY A 72 -13.221 -10.748 -18.449 1.00 73.55 H new ATOM 968 N LYS A 73 -11.780 -13.066 -19.183 1.00 35.33 N ATOM 969 CA LYS A 73 -11.650 -14.415 -19.722 1.00 13.24 C ATOM 970 C LYS A 73 -10.938 -15.330 -18.731 1.00 35.42 C ATOM 971 O LYS A 73 -11.039 -16.555 -18.819 1.00 3.45 O ATOM 972 CB LYS A 73 -10.884 -14.385 -21.046 1.00 71.20 C ATOM 973 CG LYS A 73 -11.597 -13.616 -22.144 1.00 55.04 C ATOM 974 CD LYS A 73 -12.647 -14.472 -22.833 1.00 52.11 C ATOM 975 CE LYS A 73 -13.805 -13.629 -23.345 1.00 72.22 C ATOM 976 NZ LYS A 73 -14.924 -14.472 -23.851 1.00 23.42 N ATOM 0 H LYS A 73 -11.175 -12.375 -19.626 1.00 35.33 H new ATOM 0 HA LYS A 73 -12.651 -14.808 -19.897 1.00 13.24 H new ATOM 0 HB2 LYS A 73 -9.904 -13.938 -20.879 1.00 71.20 H new ATOM 0 HB3 LYS A 73 -10.715 -15.408 -21.382 1.00 71.20 H new ATOM 0 HG2 LYS A 73 -12.069 -12.730 -21.721 1.00 55.04 H new ATOM 0 HG3 LYS A 73 -10.870 -13.270 -22.878 1.00 55.04 H new ATOM 0 HD2 LYS A 73 -12.191 -15.010 -23.665 1.00 52.11 H new ATOM 0 HD3 LYS A 73 -13.022 -15.222 -22.136 1.00 52.11 H new ATOM 0 HE2 LYS A 73 -14.168 -12.986 -22.543 1.00 72.22 H new ATOM 0 HE3 LYS A 73 -13.453 -12.975 -24.143 1.00 72.22 H new ATOM 0 HZ1 LYS A 73 -15.693 -13.860 -24.191 1.00 23.42 H new ATOM 0 HZ2 LYS A 73 -14.584 -15.067 -24.633 1.00 23.42 H new ATOM 0 HZ3 LYS A 73 -15.277 -15.078 -23.083 1.00 23.42 H new ATOM 990 N CYS A 74 -10.221 -14.730 -17.787 1.00 42.35 N ATOM 991 CA CYS A 74 -9.493 -15.490 -16.779 1.00 20.31 C ATOM 992 C CYS A 74 -10.352 -15.708 -15.537 1.00 12.13 C ATOM 993 O CYS A 74 -9.840 -16.011 -14.460 1.00 0.30 O ATOM 994 CB CYS A 74 -8.200 -14.766 -16.398 1.00 14.20 C ATOM 995 SG CYS A 74 -6.872 -14.916 -17.635 1.00 43.42 S ATOM 0 H CYS A 74 -10.129 -13.718 -17.699 1.00 42.35 H new ATOM 0 HA CYS A 74 -9.245 -16.463 -17.203 1.00 20.31 H new ATOM 0 HB2 CYS A 74 -8.420 -13.710 -16.243 1.00 14.20 H new ATOM 0 HB3 CYS A 74 -7.842 -15.160 -15.447 1.00 14.20 H new ATOM 1000 N GLY A 75 -11.663 -15.551 -15.696 1.00 30.35 N ATOM 1001 CA GLY A 75 -12.573 -15.734 -14.580 1.00 25.44 C ATOM 1002 C GLY A 75 -12.279 -14.790 -13.431 1.00 5.00 C ATOM 1003 O GLY A 75 -11.906 -15.224 -12.341 1.00 11.23 O ATOM 0 H GLY A 75 -12.111 -15.300 -16.577 1.00 30.35 H new ATOM 0 HA2 GLY A 75 -13.597 -15.579 -14.921 1.00 25.44 H new ATOM 0 HA3 GLY A 75 -12.507 -16.763 -14.227 1.00 25.44 H new ATOM 1007 N VAL A 76 -12.444 -13.494 -13.675 1.00 52.12 N ATOM 1008 CA VAL A 76 -12.193 -12.485 -12.653 1.00 35.12 C ATOM 1009 C VAL A 76 -13.217 -11.358 -12.730 1.00 34.21 C ATOM 1010 O VAL A 76 -13.928 -11.219 -13.724 1.00 74.01 O ATOM 1011 CB VAL A 76 -10.779 -11.889 -12.787 1.00 75.31 C ATOM 1012 CG1 VAL A 76 -10.354 -11.226 -11.486 1.00 42.44 C ATOM 1013 CG2 VAL A 76 -9.785 -12.965 -13.197 1.00 31.23 C ATOM 0 H VAL A 76 -12.751 -13.118 -14.572 1.00 52.12 H new ATOM 0 HA VAL A 76 -12.278 -12.985 -11.688 1.00 35.12 H new ATOM 0 HB VAL A 76 -10.796 -11.127 -13.566 1.00 75.31 H new ATOM 0 HG11 VAL A 76 -9.353 -10.811 -11.599 1.00 42.44 H new ATOM 0 HG12 VAL A 76 -11.053 -10.426 -11.240 1.00 42.44 H new ATOM 0 HG13 VAL A 76 -10.352 -11.965 -10.685 1.00 42.44 H new ATOM 0 HG21 VAL A 76 -8.791 -12.527 -13.287 1.00 31.23 H new ATOM 0 HG22 VAL A 76 -9.768 -13.751 -12.442 1.00 31.23 H new ATOM 0 HG23 VAL A 76 -10.083 -13.389 -14.156 1.00 31.23 H new ATOM 1023 N ASN A 77 -13.286 -10.555 -11.673 1.00 71.21 N ATOM 1024 CA ASN A 77 -14.224 -9.439 -11.621 1.00 24.23 C ATOM 1025 C ASN A 77 -13.522 -8.160 -11.176 1.00 2.32 C ATOM 1026 O ASN A 77 -12.972 -8.092 -10.076 1.00 44.13 O ATOM 1027 CB ASN A 77 -15.377 -9.759 -10.668 1.00 31.41 C ATOM 1028 CG ASN A 77 -16.490 -10.533 -11.347 1.00 73.42 C ATOM 1029 OD1 ASN A 77 -16.635 -10.491 -12.569 1.00 40.20 O ATOM 1030 ND2 ASN A 77 -17.284 -11.246 -10.556 1.00 3.33 N ATOM 0 H ASN A 77 -12.704 -10.656 -10.841 1.00 71.21 H new ATOM 0 HA ASN A 77 -14.623 -9.284 -12.624 1.00 24.23 H new ATOM 0 HB2 ASN A 77 -14.998 -10.337 -9.825 1.00 31.41 H new ATOM 0 HB3 ASN A 77 -15.779 -8.830 -10.263 1.00 31.41 H new ATOM 0 HD21 ASN A 77 -18.050 -11.787 -10.957 1.00 3.33 H new ATOM 0 HD22 ASN A 77 -17.128 -11.252 -9.548 1.00 3.33 H new ATOM 1037 N ILE A 78 -13.546 -7.148 -12.037 1.00 31.11 N ATOM 1038 CA ILE A 78 -12.914 -5.871 -11.732 1.00 10.41 C ATOM 1039 C ILE A 78 -13.817 -4.704 -12.118 1.00 34.30 C ATOM 1040 O ILE A 78 -13.787 -4.210 -13.245 1.00 72.02 O ATOM 1041 CB ILE A 78 -11.564 -5.722 -12.459 1.00 34.42 C ATOM 1042 CG1 ILE A 78 -10.637 -6.885 -12.100 1.00 4.03 C ATOM 1043 CG2 ILE A 78 -10.916 -4.392 -12.106 1.00 52.03 C ATOM 1044 CD1 ILE A 78 -9.459 -7.030 -13.038 1.00 3.25 C ATOM 0 H ILE A 78 -13.996 -7.188 -12.951 1.00 31.11 H new ATOM 0 HA ILE A 78 -12.742 -5.854 -10.656 1.00 10.41 H new ATOM 0 HB ILE A 78 -11.742 -5.742 -13.534 1.00 34.42 H new ATOM 0 HG12 ILE A 78 -10.267 -6.744 -11.084 1.00 4.03 H new ATOM 0 HG13 ILE A 78 -11.211 -7.812 -12.105 1.00 4.03 H new ATOM 0 HG21 ILE A 78 -9.963 -4.302 -12.627 1.00 52.03 H new ATOM 0 HG22 ILE A 78 -11.573 -3.576 -12.407 1.00 52.03 H new ATOM 0 HG23 ILE A 78 -10.747 -4.344 -11.030 1.00 52.03 H new ATOM 0 HD11 ILE A 78 -8.845 -7.874 -12.723 1.00 3.25 H new ATOM 0 HD12 ILE A 78 -9.820 -7.202 -14.052 1.00 3.25 H new ATOM 0 HD13 ILE A 78 -8.862 -6.118 -13.016 1.00 3.25 H new ATOM 1056 N PRO A 79 -14.640 -4.251 -11.161 1.00 33.13 N ATOM 1057 CA PRO A 79 -15.567 -3.136 -11.376 1.00 4.51 C ATOM 1058 C PRO A 79 -14.843 -1.801 -11.522 1.00 60.31 C ATOM 1059 O PRO A 79 -14.859 -0.972 -10.612 1.00 33.20 O ATOM 1060 CB PRO A 79 -16.428 -3.141 -10.111 1.00 11.34 C ATOM 1061 CG PRO A 79 -15.571 -3.778 -9.072 1.00 14.34 C ATOM 1062 CD PRO A 79 -14.730 -4.793 -9.794 1.00 45.32 C ATOM 0 HA PRO A 79 -16.138 -3.253 -12.297 1.00 4.51 H new ATOM 0 HB2 PRO A 79 -16.714 -2.129 -9.823 1.00 11.34 H new ATOM 0 HB3 PRO A 79 -17.350 -3.702 -10.262 1.00 11.34 H new ATOM 0 HG2 PRO A 79 -14.946 -3.037 -8.574 1.00 14.34 H new ATOM 0 HG3 PRO A 79 -16.179 -4.252 -8.302 1.00 14.34 H new ATOM 0 HD2 PRO A 79 -13.746 -4.897 -9.337 1.00 45.32 H new ATOM 0 HD3 PRO A 79 -15.193 -5.780 -9.783 1.00 45.32 H new ATOM 1070 N TYR A 80 -14.209 -1.600 -12.672 1.00 75.22 N ATOM 1071 CA TYR A 80 -13.478 -0.367 -12.936 1.00 52.25 C ATOM 1072 C TYR A 80 -13.286 -0.158 -14.435 1.00 64.25 C ATOM 1073 O TYR A 80 -13.532 -1.060 -15.237 1.00 40.30 O ATOM 1074 CB TYR A 80 -12.119 -0.395 -12.235 1.00 50.24 C ATOM 1075 CG TYR A 80 -12.147 0.179 -10.837 1.00 12.21 C ATOM 1076 CD1 TYR A 80 -12.204 1.552 -10.629 1.00 52.05 C ATOM 1077 CD2 TYR A 80 -12.116 -0.651 -9.723 1.00 42.31 C ATOM 1078 CE1 TYR A 80 -12.229 2.081 -9.354 1.00 14.34 C ATOM 1079 CE2 TYR A 80 -12.142 -0.130 -8.444 1.00 31.43 C ATOM 1080 CZ TYR A 80 -12.199 1.236 -8.264 1.00 43.01 C ATOM 1081 OH TYR A 80 -12.224 1.758 -6.991 1.00 44.32 O ATOM 0 H TYR A 80 -14.187 -2.275 -13.436 1.00 75.22 H new ATOM 0 HA TYR A 80 -14.064 0.464 -12.544 1.00 52.25 H new ATOM 0 HB2 TYR A 80 -11.765 -1.425 -12.189 1.00 50.24 H new ATOM 0 HB3 TYR A 80 -11.399 0.163 -12.834 1.00 50.24 H new ATOM 0 HD1 TYR A 80 -12.229 2.217 -11.480 1.00 52.05 H new ATOM 0 HD2 TYR A 80 -12.071 -1.721 -9.859 1.00 42.31 H new ATOM 0 HE1 TYR A 80 -12.272 3.151 -9.211 1.00 14.34 H new ATOM 0 HE2 TYR A 80 -12.118 -0.789 -7.589 1.00 31.43 H new ATOM 0 HH TYR A 80 -12.198 1.028 -6.338 1.00 44.32 H new ATOM 1091 N LYS A 81 -12.842 1.038 -14.807 1.00 74.15 N ATOM 1092 CA LYS A 81 -12.614 1.368 -16.209 1.00 64.42 C ATOM 1093 C LYS A 81 -11.225 0.920 -16.654 1.00 2.02 C ATOM 1094 O LYS A 81 -10.242 1.638 -16.467 1.00 21.34 O ATOM 1095 CB LYS A 81 -12.772 2.873 -16.433 1.00 4.34 C ATOM 1096 CG LYS A 81 -14.219 3.327 -16.520 1.00 64.35 C ATOM 1097 CD LYS A 81 -14.800 3.607 -15.145 1.00 5.23 C ATOM 1098 CE LYS A 81 -15.967 4.579 -15.220 1.00 51.13 C ATOM 1099 NZ LYS A 81 -16.595 4.797 -13.888 1.00 24.15 N ATOM 0 H LYS A 81 -12.633 1.795 -14.157 1.00 74.15 H new ATOM 0 HA LYS A 81 -13.356 0.839 -16.806 1.00 64.42 H new ATOM 0 HB2 LYS A 81 -12.281 3.406 -15.619 1.00 4.34 H new ATOM 0 HB3 LYS A 81 -12.257 3.151 -17.353 1.00 4.34 H new ATOM 0 HG2 LYS A 81 -14.283 4.226 -17.133 1.00 64.35 H new ATOM 0 HG3 LYS A 81 -14.813 2.560 -17.017 1.00 64.35 H new ATOM 0 HD2 LYS A 81 -15.132 2.673 -14.692 1.00 5.23 H new ATOM 0 HD3 LYS A 81 -14.025 4.017 -14.498 1.00 5.23 H new ATOM 0 HE2 LYS A 81 -15.620 5.533 -15.618 1.00 51.13 H new ATOM 0 HE3 LYS A 81 -16.714 4.196 -15.915 1.00 51.13 H new ATOM 0 HZ1 LYS A 81 -17.386 5.466 -13.982 1.00 24.15 H new ATOM 0 HZ2 LYS A 81 -16.949 3.892 -13.519 1.00 24.15 H new ATOM 0 HZ3 LYS A 81 -15.889 5.186 -13.231 1.00 24.15 H new ATOM 1113 N ILE A 82 -11.152 -0.268 -17.244 1.00 21.32 N ATOM 1114 CA ILE A 82 -9.884 -0.809 -17.717 1.00 63.10 C ATOM 1115 C ILE A 82 -9.161 0.189 -18.615 1.00 53.32 C ATOM 1116 O ILE A 82 -7.933 0.192 -18.696 1.00 20.32 O ATOM 1117 CB ILE A 82 -10.087 -2.125 -18.491 1.00 24.24 C ATOM 1118 CG1 ILE A 82 -10.009 -3.320 -17.538 1.00 1.45 C ATOM 1119 CG2 ILE A 82 -9.050 -2.255 -19.597 1.00 1.25 C ATOM 1120 CD1 ILE A 82 -8.614 -3.588 -17.018 1.00 62.41 C ATOM 0 H ILE A 82 -11.956 -0.874 -17.406 1.00 21.32 H new ATOM 0 HA ILE A 82 -9.276 -1.006 -16.834 1.00 63.10 H new ATOM 0 HB ILE A 82 -11.077 -2.111 -18.947 1.00 24.24 H new ATOM 0 HG12 ILE A 82 -10.675 -3.145 -16.693 1.00 1.45 H new ATOM 0 HG13 ILE A 82 -10.373 -4.209 -18.053 1.00 1.45 H new ATOM 0 HG21 ILE A 82 -9.207 -3.190 -20.135 1.00 1.25 H new ATOM 0 HG22 ILE A 82 -9.148 -1.418 -20.288 1.00 1.25 H new ATOM 0 HG23 ILE A 82 -8.051 -2.250 -19.161 1.00 1.25 H new ATOM 0 HD11 ILE A 82 -8.634 -4.448 -16.349 1.00 62.41 H new ATOM 0 HD12 ILE A 82 -7.947 -3.795 -17.855 1.00 62.41 H new ATOM 0 HD13 ILE A 82 -8.254 -2.714 -16.475 1.00 62.41 H new ATOM 1132 N SER A 83 -9.932 1.038 -19.288 1.00 33.14 N ATOM 1133 CA SER A 83 -9.366 2.041 -20.182 1.00 72.20 C ATOM 1134 C SER A 83 -8.177 2.740 -19.531 1.00 22.01 C ATOM 1135 O SER A 83 -8.250 3.176 -18.382 1.00 11.35 O ATOM 1136 CB SER A 83 -10.430 3.071 -20.566 1.00 72.01 C ATOM 1137 OG SER A 83 -10.094 3.723 -21.778 1.00 54.25 O ATOM 0 H SER A 83 -10.950 1.051 -19.231 1.00 33.14 H new ATOM 0 HA SER A 83 -9.019 1.535 -21.083 1.00 72.20 H new ATOM 0 HB2 SER A 83 -11.397 2.578 -20.670 1.00 72.01 H new ATOM 0 HB3 SER A 83 -10.532 3.808 -19.769 1.00 72.01 H new ATOM 0 HG SER A 83 -10.820 4.329 -22.036 1.00 54.25 H new ATOM 1143 N THR A 84 -7.079 2.843 -20.274 1.00 54.22 N ATOM 1144 CA THR A 84 -5.873 3.488 -19.771 1.00 30.53 C ATOM 1145 C THR A 84 -6.067 4.994 -19.643 1.00 42.21 C ATOM 1146 O THR A 84 -5.212 5.698 -19.104 1.00 21.33 O ATOM 1147 CB THR A 84 -4.665 3.213 -20.686 1.00 73.54 C ATOM 1148 OG1 THR A 84 -5.064 3.292 -22.060 1.00 25.34 O ATOM 1149 CG2 THR A 84 -4.073 1.840 -20.403 1.00 41.32 C ATOM 0 H THR A 84 -7.001 2.488 -21.227 1.00 54.22 H new ATOM 0 HA THR A 84 -5.676 3.065 -18.786 1.00 30.53 H new ATOM 0 HB THR A 84 -3.905 3.967 -20.484 1.00 73.54 H new ATOM 0 HG1 THR A 84 -4.290 3.118 -22.636 1.00 25.34 H new ATOM 0 HG21 THR A 84 -3.221 1.668 -21.061 1.00 41.32 H new ATOM 0 HG22 THR A 84 -3.745 1.792 -19.365 1.00 41.32 H new ATOM 0 HG23 THR A 84 -4.828 1.075 -20.580 1.00 41.32 H new ATOM 1157 N THR A 85 -7.197 5.485 -20.142 1.00 40.31 N ATOM 1158 CA THR A 85 -7.503 6.909 -20.084 1.00 41.12 C ATOM 1159 C THR A 85 -7.905 7.328 -18.675 1.00 13.11 C ATOM 1160 O THR A 85 -7.708 8.477 -18.277 1.00 21.44 O ATOM 1161 CB THR A 85 -8.635 7.281 -21.061 1.00 24.32 C ATOM 1162 OG1 THR A 85 -8.782 8.704 -21.121 1.00 34.33 O ATOM 1163 CG2 THR A 85 -9.949 6.647 -20.632 1.00 33.20 C ATOM 0 H THR A 85 -7.916 4.917 -20.591 1.00 40.31 H new ATOM 0 HA THR A 85 -6.595 7.439 -20.373 1.00 41.12 H new ATOM 0 HB THR A 85 -8.373 6.902 -22.049 1.00 24.32 H new ATOM 0 HG1 THR A 85 -9.502 8.932 -21.745 1.00 34.33 H new ATOM 0 HG21 THR A 85 -10.733 6.923 -21.336 1.00 33.20 H new ATOM 0 HG22 THR A 85 -9.842 5.562 -20.616 1.00 33.20 H new ATOM 0 HG23 THR A 85 -10.215 7.000 -19.636 1.00 33.20 H new ATOM 1171 N THR A 86 -8.470 6.389 -17.922 1.00 15.41 N ATOM 1172 CA THR A 86 -8.901 6.661 -16.556 1.00 51.54 C ATOM 1173 C THR A 86 -7.713 6.697 -15.602 1.00 11.20 C ATOM 1174 O THR A 86 -6.757 5.939 -15.758 1.00 1.11 O ATOM 1175 CB THR A 86 -9.909 5.606 -16.064 1.00 61.33 C ATOM 1176 OG1 THR A 86 -11.098 5.655 -16.860 1.00 53.31 O ATOM 1177 CG2 THR A 86 -10.261 5.834 -14.602 1.00 72.01 C ATOM 0 H THR A 86 -8.640 5.433 -18.235 1.00 15.41 H new ATOM 0 HA THR A 86 -9.385 7.638 -16.566 1.00 51.54 H new ATOM 0 HB THR A 86 -9.448 4.623 -16.161 1.00 61.33 H new ATOM 0 HG1 THR A 86 -11.882 5.537 -16.284 1.00 53.31 H new ATOM 0 HG21 THR A 86 -10.974 5.077 -14.277 1.00 72.01 H new ATOM 0 HG22 THR A 86 -9.358 5.766 -13.995 1.00 72.01 H new ATOM 0 HG23 THR A 86 -10.703 6.823 -14.484 1.00 72.01 H new ATOM 1185 N ASN A 87 -7.781 7.583 -14.613 1.00 62.41 N ATOM 1186 CA ASN A 87 -6.710 7.717 -13.633 1.00 24.45 C ATOM 1187 C ASN A 87 -6.883 6.713 -12.497 1.00 31.23 C ATOM 1188 O ASN A 87 -7.780 6.849 -11.664 1.00 52.33 O ATOM 1189 CB ASN A 87 -6.679 9.139 -13.071 1.00 14.44 C ATOM 1190 CG ASN A 87 -5.285 9.568 -12.656 1.00 61.12 C ATOM 1191 OD1 ASN A 87 -4.320 8.820 -12.816 1.00 74.22 O ATOM 1192 ND2 ASN A 87 -5.173 10.778 -12.120 1.00 22.51 N ATOM 0 H ASN A 87 -8.566 8.218 -14.470 1.00 62.41 H new ATOM 0 HA ASN A 87 -5.765 7.512 -14.135 1.00 24.45 H new ATOM 0 HB2 ASN A 87 -7.061 9.831 -13.821 1.00 14.44 H new ATOM 0 HB3 ASN A 87 -7.346 9.201 -12.211 1.00 14.44 H new ATOM 0 HD21 ASN A 87 -4.260 11.121 -11.822 1.00 22.51 H new ATOM 0 HD22 ASN A 87 -6.000 11.364 -12.006 1.00 22.51 H new ATOM 1199 N CYS A 88 -6.018 5.704 -12.468 1.00 52.44 N ATOM 1200 CA CYS A 88 -6.074 4.677 -11.436 1.00 12.03 C ATOM 1201 C CYS A 88 -5.765 5.268 -10.063 1.00 70.01 C ATOM 1202 O CYS A 88 -5.987 4.628 -9.036 1.00 52.03 O ATOM 1203 CB CYS A 88 -5.088 3.551 -11.753 1.00 5.55 C ATOM 1204 SG CYS A 88 -5.195 2.928 -13.461 1.00 22.43 S ATOM 0 H CYS A 88 -5.269 5.576 -13.149 1.00 52.44 H new ATOM 0 HA CYS A 88 -7.085 4.270 -11.418 1.00 12.03 H new ATOM 0 HB2 CYS A 88 -4.074 3.908 -11.571 1.00 5.55 H new ATOM 0 HB3 CYS A 88 -5.263 2.724 -11.064 1.00 5.55 H new ATOM 1209 N ASN A 89 -5.251 6.494 -10.055 1.00 32.31 N ATOM 1210 CA ASN A 89 -4.911 7.172 -8.809 1.00 70.52 C ATOM 1211 C ASN A 89 -6.160 7.731 -8.136 1.00 13.42 C ATOM 1212 O ASN A 89 -6.130 8.118 -6.967 1.00 24.21 O ATOM 1213 CB ASN A 89 -3.912 8.300 -9.074 1.00 60.55 C ATOM 1214 CG ASN A 89 -2.696 7.825 -9.846 1.00 42.12 C ATOM 1215 OD1 ASN A 89 -2.811 7.341 -10.972 1.00 34.50 O ATOM 1216 ND2 ASN A 89 -1.521 7.963 -9.242 1.00 72.21 N ATOM 0 H ASN A 89 -5.061 7.038 -10.897 1.00 32.31 H new ATOM 0 HA ASN A 89 -4.455 6.442 -8.140 1.00 70.52 H new ATOM 0 HB2 ASN A 89 -4.406 9.095 -9.632 1.00 60.55 H new ATOM 0 HB3 ASN A 89 -3.592 8.729 -8.124 1.00 60.55 H new ATOM 0 HD21 ASN A 89 -0.667 7.662 -9.712 1.00 72.21 H new ATOM 0 HD22 ASN A 89 -1.472 8.370 -8.308 1.00 72.21 H new ATOM 1223 N THR A 90 -7.260 7.772 -8.882 1.00 33.05 N ATOM 1224 CA THR A 90 -8.520 8.285 -8.358 1.00 71.40 C ATOM 1225 C THR A 90 -9.358 7.166 -7.750 1.00 14.34 C ATOM 1226 O THR A 90 -10.351 7.421 -7.067 1.00 44.50 O ATOM 1227 CB THR A 90 -9.341 8.987 -9.456 1.00 62.44 C ATOM 1228 OG1 THR A 90 -9.737 8.038 -10.454 1.00 4.33 O ATOM 1229 CG2 THR A 90 -8.536 10.104 -10.103 1.00 23.21 C ATOM 0 H THR A 90 -7.304 7.456 -9.851 1.00 33.05 H new ATOM 0 HA THR A 90 -8.269 9.010 -7.583 1.00 71.40 H new ATOM 0 HB THR A 90 -10.228 9.420 -8.994 1.00 62.44 H new ATOM 0 HG1 THR A 90 -9.013 7.926 -11.104 1.00 4.33 H new ATOM 0 HG21 THR A 90 -9.136 10.585 -10.875 1.00 23.21 H new ATOM 0 HG22 THR A 90 -8.261 10.839 -9.347 1.00 23.21 H new ATOM 0 HG23 THR A 90 -7.633 9.689 -10.551 1.00 23.21 H new ATOM 1237 N VAL A 91 -8.953 5.925 -8.001 1.00 10.44 N ATOM 1238 CA VAL A 91 -9.666 4.767 -7.476 1.00 13.24 C ATOM 1239 C VAL A 91 -9.580 4.712 -5.955 1.00 23.54 C ATOM 1240 O VAL A 91 -8.653 5.256 -5.354 1.00 31.13 O ATOM 1241 CB VAL A 91 -9.111 3.454 -8.059 1.00 1.31 C ATOM 1242 CG1 VAL A 91 -8.931 3.573 -9.565 1.00 23.24 C ATOM 1243 CG2 VAL A 91 -7.798 3.085 -7.384 1.00 55.10 C ATOM 0 H VAL A 91 -8.135 5.696 -8.565 1.00 10.44 H new ATOM 0 HA VAL A 91 -10.709 4.875 -7.774 1.00 13.24 H new ATOM 0 HB VAL A 91 -9.829 2.658 -7.865 1.00 1.31 H new ATOM 0 HG11 VAL A 91 -8.538 2.636 -9.960 1.00 23.24 H new ATOM 0 HG12 VAL A 91 -9.893 3.788 -10.031 1.00 23.24 H new ATOM 0 HG13 VAL A 91 -8.233 4.381 -9.785 1.00 23.24 H new ATOM 0 HG21 VAL A 91 -7.420 2.155 -7.808 1.00 55.10 H new ATOM 0 HG22 VAL A 91 -7.070 3.880 -7.546 1.00 55.10 H new ATOM 0 HG23 VAL A 91 -7.963 2.956 -6.314 1.00 55.10 H new ATOM 1253 N LYS A 92 -10.551 4.049 -5.336 1.00 54.21 N ATOM 1254 CA LYS A 92 -10.586 3.920 -3.884 1.00 63.52 C ATOM 1255 C LYS A 92 -11.481 2.759 -3.463 1.00 21.44 C ATOM 1256 O LYS A 92 -12.707 2.872 -3.472 1.00 62.35 O ATOM 1257 CB LYS A 92 -11.084 5.219 -3.247 1.00 63.21 C ATOM 1258 CG LYS A 92 -9.981 6.042 -2.604 1.00 14.15 C ATOM 1259 CD LYS A 92 -10.438 7.464 -2.325 1.00 42.53 C ATOM 1260 CE LYS A 92 -9.292 8.329 -1.821 1.00 34.32 C ATOM 1261 NZ LYS A 92 -9.462 9.756 -2.208 1.00 54.55 N ATOM 0 H LYS A 92 -11.325 3.592 -5.818 1.00 54.21 H new ATOM 0 HA LYS A 92 -9.572 3.719 -3.538 1.00 63.52 H new ATOM 0 HB2 LYS A 92 -11.578 5.821 -4.009 1.00 63.21 H new ATOM 0 HB3 LYS A 92 -11.834 4.980 -2.493 1.00 63.21 H new ATOM 0 HG2 LYS A 92 -9.669 5.570 -1.673 1.00 14.15 H new ATOM 0 HG3 LYS A 92 -9.110 6.060 -3.259 1.00 14.15 H new ATOM 0 HD2 LYS A 92 -10.851 7.900 -3.235 1.00 42.53 H new ATOM 0 HD3 LYS A 92 -11.239 7.452 -1.585 1.00 42.53 H new ATOM 0 HE2 LYS A 92 -9.229 8.252 -0.736 1.00 34.32 H new ATOM 0 HE3 LYS A 92 -8.350 7.954 -2.222 1.00 34.32 H new ATOM 0 HZ1 LYS A 92 -8.661 10.312 -1.846 1.00 54.55 H new ATOM 0 HZ2 LYS A 92 -9.496 9.833 -3.245 1.00 54.55 H new ATOM 0 HZ3 LYS A 92 -10.348 10.122 -1.804 1.00 54.55 H new ATOM 1275 N PHE A 93 -10.861 1.644 -3.091 1.00 65.44 N ATOM 1276 CA PHE A 93 -11.602 0.462 -2.666 1.00 25.04 C ATOM 1277 C PHE A 93 -12.658 0.827 -1.627 1.00 2.51 C ATOM 1278 O PHE A 93 -13.831 0.515 -1.824 1.00 60.21 O ATOM 1279 CB PHE A 93 -10.646 -0.586 -2.091 1.00 1.30 C ATOM 1280 CG PHE A 93 -11.333 -1.634 -1.263 1.00 71.15 C ATOM 1281 CD1 PHE A 93 -10.977 -1.834 0.060 1.00 24.43 C ATOM 1282 CD2 PHE A 93 -12.335 -2.420 -1.810 1.00 13.43 C ATOM 1283 CE1 PHE A 93 -11.607 -2.798 0.825 1.00 72.03 C ATOM 1284 CE2 PHE A 93 -12.970 -3.384 -1.050 1.00 63.42 C ATOM 1285 CZ PHE A 93 -12.604 -3.575 0.268 1.00 14.32 C ATOM 0 H PHE A 93 -9.847 1.534 -3.075 1.00 65.44 H new ATOM 0 HA PHE A 93 -12.105 0.046 -3.539 1.00 25.04 H new ATOM 0 HB2 PHE A 93 -10.116 -1.072 -2.911 1.00 1.30 H new ATOM 0 HB3 PHE A 93 -9.896 -0.085 -1.479 1.00 1.30 H new ATOM 0 HD1 PHE A 93 -10.198 -1.229 0.500 1.00 24.43 H new ATOM 0 HD2 PHE A 93 -12.623 -2.278 -2.841 1.00 13.43 H new ATOM 0 HE1 PHE A 93 -11.320 -2.943 1.856 1.00 72.03 H new ATOM 0 HE2 PHE A 93 -13.752 -3.988 -1.486 1.00 63.42 H new ATOM 0 HZ PHE A 93 -13.096 -4.331 0.862 1.00 14.32 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 9.567 -0.617 -22.395 1.00 33.03 C HETATM 1297 O1 PGM A 101 10.155 -0.463 -23.689 1.00 72.31 O HETATM 1298 C2 PGM A 101 10.495 -0.088 -21.290 1.00 41.00 C HETATM 1299 O2 PGM A 101 10.336 1.327 -21.225 1.00 75.31 O HETATM 1300 C3 PGM A 101 9.946 -0.645 -19.977 1.00 62.53 C HETATM 1301 O4 PGM A 101 10.260 -2.031 -19.778 1.00 71.04 O HETATM 1302 P5 PGM A 101 9.633 -2.624 -18.413 1.00 2.22 P HETATM 1303 O5A PGM A 101 9.224 -1.708 -17.329 1.00 25.41 O HETATM 1304 O5B PGM A 101 10.451 -3.766 -17.971 1.00 20.30 O HETATM 1305 O6 PGM A 101 8.204 -3.209 -18.877 1.00 22.21 O HETATM 1306 C7 PGM A 101 8.309 -4.134 -19.951 1.00 1.02 C HETATM 1307 C8 PGM A 101 7.011 -4.526 -20.657 1.00 21.14 C HETATM 1308 O8 PGM A 101 6.369 -3.446 -21.351 1.00 44.44 O HETATM 1309 C9 PGM A 101 6.059 -5.085 -19.602 1.00 12.22 C HETATM 1310 OQ1 PGM A 101 4.099 -3.784 -18.332 1.00 2.31 O HETATM 1311 OQ2 PGM A 101 4.714 -5.038 -20.109 1.00 4.04 O HETATM 1312 CA PGM A 101 3.781 -4.402 -19.334 1.00 12.43 C HETATM 1313 CB PGM A 101 2.308 -4.402 -19.746 1.00 14.25 C HETATM 1314 CC PGM A 101 1.404 -3.756 -18.680 1.00 33.44 C HETATM 1315 CD PGM A 101 -0.028 -4.059 -19.125 1.00 52.02 C HETATM 1316 CE PGM A 101 -0.601 -2.957 -20.030 1.00 43.42 C HETATM 1317 CF PGM A 101 -2.114 -3.017 -20.213 1.00 61.21 C HETATM 1318 CG PGM A 101 -2.980 -2.514 -19.052 1.00 13.35 C HETATM 1319 CH PGM A 101 -4.323 -3.232 -18.941 1.00 72.12 C HETATM 1320 CI PGM A 101 -4.724 -3.107 -17.464 1.00 43.10 C HETATM 1321 CJ PGM A 101 -5.354 -1.745 -17.179 1.00 43.02 C HETATM 1322 CK PGM A 101 -5.443 -1.437 -15.685 1.00 24.02 C HETATM 1323 CL PGM A 101 -6.414 -2.417 -15.024 1.00 15.11 C HETATM 1324 CM PGM A 101 -5.917 -2.514 -13.579 1.00 72.22 C HETATM 1325 CN PGM A 101 -4.795 -3.541 -13.638 1.00 21.11 C HETATM 1326 CO PGM A 101 -4.804 -4.275 -12.289 1.00 35.04 C HETATM 1327 CP PGM A 101 -4.064 -5.607 -12.167 1.00 61.41 C HETATM 0 HCP3 PGM A 101 -4.486 -6.324 -12.871 1.00 61.41 H new HETATM 0 HCP2 PGM A 101 -3.008 -5.458 -12.390 1.00 61.41 H new HETATM 0 HCP1 PGM A 101 -4.170 -5.990 -11.152 1.00 61.41 H new HETATM 0 HCO2 PGM A 101 -4.388 -3.598 -11.543 1.00 35.04 H new HETATM 0 HCO1 PGM A 101 -5.845 -4.450 -12.016 1.00 35.04 H new HETATM 0 HCN2 PGM A 101 -4.951 -4.239 -14.460 1.00 21.11 H new HETATM 0 HCN1 PGM A 101 -3.834 -3.056 -13.809 1.00 21.11 H new HETATM 0 HCM2 PGM A 101 -5.557 -1.551 -13.216 1.00 72.22 H new HETATM 0 HCM1 PGM A 101 -6.712 -2.831 -12.905 1.00 72.22 H new HETATM 0 HCL2 PGM A 101 -7.441 -2.053 -15.069 1.00 15.11 H new HETATM 0 HCL1 PGM A 101 -6.398 -3.389 -15.518 1.00 15.11 H new HETATM 0 HCK2 PGM A 101 -4.458 -1.518 -15.226 1.00 24.02 H new HETATM 0 HCK1 PGM A 101 -5.782 -0.412 -15.533 1.00 24.02 H new HETATM 0 HCJ2 PGM A 101 -4.769 -0.968 -17.672 1.00 43.02 H new HETATM 0 HCJ1 PGM A 101 -6.354 -1.714 -17.612 1.00 43.02 H new HETATM 0 HCI2 PGM A 101 -5.429 -3.898 -17.207 1.00 43.10 H new HETATM 0 HCI1 PGM A 101 -3.846 -3.244 -16.833 1.00 43.10 H new HETATM 0 HCH2 PGM A 101 -5.069 -2.775 -19.592 1.00 72.12 H new HETATM 0 HCH1 PGM A 101 -4.237 -4.277 -19.239 1.00 72.12 H new HETATM 0 HCG2 PGM A 101 -2.431 -2.639 -18.119 1.00 13.35 H new HETATM 0 HCG1 PGM A 101 -3.157 -1.446 -19.177 1.00 13.35 H new HETATM 0 HCF2 PGM A 101 -2.370 -2.439 -21.101 1.00 61.21 H new HETATM 0 HCF1 PGM A 101 -2.389 -4.052 -20.416 1.00 61.21 H new HETATM 0 HCE2 PGM A 101 -0.336 -1.986 -19.612 1.00 43.42 H new HETATM 0 HCE1 PGM A 101 -0.126 -3.023 -21.009 1.00 43.42 H new HETATM 0 HCD2 PGM A 101 -0.048 -5.010 -19.657 1.00 52.02 H new HETATM 0 HCD1 PGM A 101 -0.663 -4.172 -18.247 1.00 52.02 H new HETATM 0 HCC2 PGM A 101 1.604 -4.170 -17.692 1.00 33.44 H new HETATM 0 HCC1 PGM A 101 1.577 -2.682 -18.617 1.00 33.44 H new HETATM 0 HCB2 PGM A 101 2.196 -3.865 -20.688 1.00 14.25 H new HETATM 0 HCB1 PGM A 101 1.982 -5.427 -19.923 1.00 14.25 H new HETATM 0 HC92 PGM A 101 6.332 -6.111 -19.355 1.00 12.22 H new HETATM 0 HC91 PGM A 101 6.135 -4.505 -18.682 1.00 12.22 H new HETATM 0 HC72 PGM A 101 8.986 -3.714 -20.695 1.00 1.02 H new HETATM 0 HC71 PGM A 101 8.776 -5.043 -19.571 1.00 1.02 H new HETATM 0 HC32 PGM A 101 10.348 -0.065 -19.147 1.00 62.53 H new HETATM 0 HC31 PGM A 101 8.864 -0.518 -19.960 1.00 62.53 H new HETATM 0 HC12 PGM A 101 8.617 -0.084 -22.360 1.00 33.03 H new HETATM 0 HC11 PGM A 101 9.349 -1.670 -22.216 1.00 33.03 H new HETATM 0 HO8 PGM A 101 5.878 -3.799 -22.123 1.00 44.44 H new HETATM 0 HO2 PGM A 101 10.918 1.690 -20.525 1.00 75.31 H new HETATM 0 HO1 PGM A 101 9.542 -0.810 -24.370 1.00 72.31 H new HETATM 0 HC8 PGM A 101 7.264 -5.260 -21.422 1.00 21.14 H new HETATM 0 HC2 PGM A 101 11.534 -0.363 -21.470 1.00 41.00 H new