USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 880 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 6 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 CYS SG : rot -53:sc= 1.07 USER MOD Set 2.2: A 87 TYR OH : rot 13:sc= 1.37 USER MOD Single : A 1 GLY N :NH3+ -124:sc= -0.585 (180deg=-2.42!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -137:sc= -1.7 (180deg=-3.23!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.084 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.56) USER MOD Single : A 61 SER OG : rot 5:sc= 0.897 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc=-0.00221 (180deg=-0.158) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0232 (180deg=-0.186) USER MOD Single : A 72 THR OG1 : rot 17:sc= -0.132 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0267) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -122:sc= -1.9 (180deg=-4.33!) USER MOD Single : A 91 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.004) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.0077) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 104 ASN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.067) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc=-0.00222 USER MOD Single : A 108 SER OG : rot 180:sc= -0.04 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.830 -17.101 -4.598 1.00 64.52 N ATOM 2 CA GLY A 1 13.602 -15.992 -5.506 1.00 75.41 C ATOM 3 C GLY A 1 12.127 -15.749 -5.763 1.00 42.52 C ATOM 4 O GLY A 1 11.551 -14.761 -5.307 1.00 41.43 O ATOM 0 H1 GLY A 1 14.400 -16.777 -3.791 1.00 64.52 H new ATOM 0 H2 GLY A 1 12.917 -17.462 -4.255 1.00 64.52 H new ATOM 0 H3 GLY A 1 14.337 -17.860 -5.097 1.00 64.52 H new ATOM 0 HA2 GLY A 1 14.049 -15.089 -5.091 1.00 75.41 H new ATOM 0 HA3 GLY A 1 14.105 -16.191 -6.452 1.00 75.41 H new ATOM 8 N PRO A 2 11.494 -16.665 -6.510 1.00 15.20 N ATOM 9 CA PRO A 2 10.070 -16.566 -6.845 1.00 1.24 C ATOM 10 C PRO A 2 9.172 -16.791 -5.633 1.00 12.42 C ATOM 11 O PRO A 2 9.538 -17.506 -4.701 1.00 63.41 O ATOM 12 CB PRO A 2 9.868 -17.682 -7.873 1.00 44.53 C ATOM 13 CG PRO A 2 10.943 -18.669 -7.576 1.00 72.13 C ATOM 14 CD PRO A 2 12.118 -17.868 -7.086 1.00 35.32 C ATOM 0 HA PRO A 2 9.807 -15.575 -7.214 1.00 1.24 H new ATOM 0 HB2 PRO A 2 8.880 -18.133 -7.779 1.00 44.53 H new ATOM 0 HB3 PRO A 2 9.950 -17.302 -8.891 1.00 44.53 H new ATOM 0 HG2 PRO A 2 10.617 -19.385 -6.822 1.00 72.13 H new ATOM 0 HG3 PRO A 2 11.205 -19.241 -8.466 1.00 72.13 H new ATOM 0 HD2 PRO A 2 12.696 -18.416 -6.342 1.00 35.32 H new ATOM 0 HD3 PRO A 2 12.800 -17.617 -7.898 1.00 35.32 H new ATOM 22 N GLY A 3 7.994 -16.175 -5.652 1.00 12.12 N ATOM 23 CA GLY A 3 7.062 -16.322 -4.548 1.00 41.40 C ATOM 24 C GLY A 3 7.069 -15.123 -3.621 1.00 5.41 C ATOM 25 O GLY A 3 6.987 -15.272 -2.401 1.00 63.21 O ATOM 0 H GLY A 3 7.668 -15.577 -6.411 1.00 12.12 H new ATOM 0 HA2 GLY A 3 6.056 -16.467 -4.942 1.00 41.40 H new ATOM 0 HA3 GLY A 3 7.314 -17.218 -3.980 1.00 41.40 H new ATOM 29 N SER A 4 7.169 -13.930 -4.198 1.00 42.54 N ATOM 30 CA SER A 4 7.192 -12.700 -3.415 1.00 2.13 C ATOM 31 C SER A 4 6.047 -11.776 -3.820 1.00 62.12 C ATOM 32 O SER A 4 5.513 -11.880 -4.923 1.00 74.11 O ATOM 33 CB SER A 4 8.530 -11.981 -3.594 1.00 23.11 C ATOM 34 OG SER A 4 8.838 -11.810 -4.967 1.00 20.13 O ATOM 0 H SER A 4 7.235 -13.789 -5.206 1.00 42.54 H new ATOM 0 HA SER A 4 7.068 -12.965 -2.365 1.00 2.13 H new ATOM 0 HB2 SER A 4 8.492 -11.009 -3.103 1.00 23.11 H new ATOM 0 HB3 SER A 4 9.321 -12.553 -3.109 1.00 23.11 H new ATOM 0 HG SER A 4 9.697 -11.347 -5.054 1.00 20.13 H new ATOM 40 N MET A 5 5.678 -10.872 -2.918 1.00 63.35 N ATOM 41 CA MET A 5 4.598 -9.929 -3.182 1.00 1.13 C ATOM 42 C MET A 5 5.127 -8.499 -3.240 1.00 3.21 C ATOM 43 O MET A 5 5.863 -8.063 -2.357 1.00 14.04 O ATOM 44 CB MET A 5 3.519 -10.042 -2.103 1.00 42.23 C ATOM 45 CG MET A 5 2.391 -9.035 -2.264 1.00 23.30 C ATOM 46 SD MET A 5 0.928 -9.472 -1.305 1.00 3.12 S ATOM 47 CE MET A 5 1.212 -8.532 0.194 1.00 42.03 C ATOM 0 H MET A 5 6.110 -10.773 -2.000 1.00 63.35 H new ATOM 0 HA MET A 5 4.162 -10.176 -4.150 1.00 1.13 H new ATOM 0 HB2 MET A 5 3.102 -11.049 -2.122 1.00 42.23 H new ATOM 0 HB3 MET A 5 3.980 -9.906 -1.124 1.00 42.23 H new ATOM 0 HG2 MET A 5 2.742 -8.050 -1.956 1.00 23.30 H new ATOM 0 HG3 MET A 5 2.122 -8.962 -3.318 1.00 23.30 H new ATOM 0 HE1 MET A 5 0.970 -9.147 1.061 1.00 42.03 H new ATOM 0 HE2 MET A 5 2.259 -8.233 0.243 1.00 42.03 H new ATOM 0 HE3 MET A 5 0.580 -7.644 0.192 1.00 42.03 H new ATOM 57 N ASN A 6 4.747 -7.774 -4.288 1.00 21.42 N ATOM 58 CA ASN A 6 5.185 -6.395 -4.462 1.00 2.31 C ATOM 59 C ASN A 6 4.077 -5.419 -4.073 1.00 23.31 C ATOM 60 O ASN A 6 3.098 -5.255 -4.802 1.00 11.44 O ATOM 61 CB ASN A 6 5.609 -6.150 -5.911 1.00 70.25 C ATOM 62 CG ASN A 6 6.905 -6.856 -6.261 1.00 75.35 C ATOM 63 OD1 ASN A 6 6.941 -8.080 -6.395 1.00 31.10 O ATOM 64 ND2 ASN A 6 7.976 -6.087 -6.412 1.00 71.21 N ATOM 0 H ASN A 6 4.137 -8.119 -5.029 1.00 21.42 H new ATOM 0 HA ASN A 6 6.040 -6.227 -3.807 1.00 2.31 H new ATOM 0 HB2 ASN A 6 4.820 -6.492 -6.581 1.00 70.25 H new ATOM 0 HB3 ASN A 6 5.726 -5.079 -6.077 1.00 70.25 H new ATOM 0 HD21 ASN A 6 8.875 -6.506 -6.649 1.00 71.21 H new ATOM 0 HD22 ASN A 6 7.900 -5.077 -6.291 1.00 71.21 H new ATOM 71 N ILE A 7 4.240 -4.776 -2.922 1.00 61.13 N ATOM 72 CA ILE A 7 3.255 -3.817 -2.438 1.00 73.41 C ATOM 73 C ILE A 7 3.580 -2.406 -2.916 1.00 41.13 C ATOM 74 O ILE A 7 4.747 -2.053 -3.095 1.00 74.14 O ATOM 75 CB ILE A 7 3.175 -3.820 -0.900 1.00 3.32 C ATOM 76 CG1 ILE A 7 3.009 -5.248 -0.378 1.00 42.22 C ATOM 77 CG2 ILE A 7 2.027 -2.940 -0.427 1.00 43.22 C ATOM 78 CD1 ILE A 7 2.979 -5.341 1.132 1.00 43.42 C ATOM 0 H ILE A 7 5.044 -4.902 -2.308 1.00 61.13 H new ATOM 0 HA ILE A 7 2.291 -4.123 -2.845 1.00 73.41 H new ATOM 0 HB ILE A 7 4.105 -3.414 -0.502 1.00 3.32 H new ATOM 0 HG12 ILE A 7 2.086 -5.667 -0.778 1.00 42.22 H new ATOM 0 HG13 ILE A 7 3.827 -5.861 -0.755 1.00 42.22 H new ATOM 0 HG21 ILE A 7 1.984 -2.953 0.662 1.00 43.22 H new ATOM 0 HG22 ILE A 7 2.186 -1.918 -0.772 1.00 43.22 H new ATOM 0 HG23 ILE A 7 1.088 -3.318 -0.832 1.00 43.22 H new ATOM 0 HD11 ILE A 7 2.859 -6.383 1.430 1.00 43.42 H new ATOM 0 HD12 ILE A 7 3.912 -4.952 1.539 1.00 43.42 H new ATOM 0 HD13 ILE A 7 2.144 -4.755 1.516 1.00 43.42 H new ATOM 90 N LEU A 8 2.542 -1.604 -3.122 1.00 13.42 N ATOM 91 CA LEU A 8 2.716 -0.229 -3.578 1.00 41.14 C ATOM 92 C LEU A 8 2.118 0.757 -2.580 1.00 54.34 C ATOM 93 O LEU A 8 1.019 0.544 -2.064 1.00 33.01 O ATOM 94 CB LEU A 8 2.067 -0.040 -4.951 1.00 3.21 C ATOM 95 CG LEU A 8 2.260 1.330 -5.601 1.00 53.02 C ATOM 96 CD1 LEU A 8 3.733 1.704 -5.636 1.00 30.24 C ATOM 97 CD2 LEU A 8 1.672 1.342 -7.004 1.00 55.01 C ATOM 0 H LEU A 8 1.571 -1.882 -2.981 1.00 13.42 H new ATOM 0 HA LEU A 8 3.785 -0.032 -3.658 1.00 41.14 H new ATOM 0 HB2 LEU A 8 2.463 -0.799 -5.626 1.00 3.21 H new ATOM 0 HB3 LEU A 8 0.997 -0.227 -4.854 1.00 3.21 H new ATOM 0 HG LEU A 8 1.733 2.072 -5.001 1.00 53.02 H new ATOM 0 HD11 LEU A 8 3.849 2.682 -6.102 1.00 30.24 H new ATOM 0 HD12 LEU A 8 4.124 1.738 -4.619 1.00 30.24 H new ATOM 0 HD13 LEU A 8 4.284 0.960 -6.212 1.00 30.24 H new ATOM 0 HD21 LEU A 8 1.818 2.325 -7.451 1.00 55.01 H new ATOM 0 HD22 LEU A 8 2.170 0.588 -7.614 1.00 55.01 H new ATOM 0 HD23 LEU A 8 0.606 1.122 -6.954 1.00 55.01 H new ATOM 109 N LEU A 9 2.844 1.836 -2.314 1.00 10.52 N ATOM 110 CA LEU A 9 2.383 2.857 -1.379 1.00 41.33 C ATOM 111 C LEU A 9 2.322 4.225 -2.052 1.00 62.54 C ATOM 112 O LEU A 9 3.294 4.672 -2.664 1.00 34.51 O ATOM 113 CB LEU A 9 3.307 2.917 -0.161 1.00 63.12 C ATOM 114 CG LEU A 9 2.672 3.407 1.140 1.00 42.43 C ATOM 115 CD1 LEU A 9 2.689 2.307 2.190 1.00 51.21 C ATOM 116 CD2 LEU A 9 3.394 4.645 1.652 1.00 50.42 C ATOM 0 H LEU A 9 3.754 2.027 -2.732 1.00 10.52 H new ATOM 0 HA LEU A 9 1.379 2.587 -1.053 1.00 41.33 H new ATOM 0 HB2 LEU A 9 3.715 1.921 0.010 1.00 63.12 H new ATOM 0 HB3 LEU A 9 4.148 3.569 -0.400 1.00 63.12 H new ATOM 0 HG LEU A 9 1.634 3.672 0.938 1.00 42.43 H new ATOM 0 HD11 LEU A 9 2.233 2.674 3.109 1.00 51.21 H new ATOM 0 HD12 LEU A 9 2.128 1.447 1.825 1.00 51.21 H new ATOM 0 HD13 LEU A 9 3.719 2.010 2.389 1.00 51.21 H new ATOM 0 HD21 LEU A 9 2.929 4.980 2.579 1.00 50.42 H new ATOM 0 HD22 LEU A 9 4.441 4.405 1.838 1.00 50.42 H new ATOM 0 HD23 LEU A 9 3.330 5.438 0.907 1.00 50.42 H new ATOM 128 N VAL A 10 1.176 4.886 -1.934 1.00 3.52 N ATOM 129 CA VAL A 10 0.989 6.205 -2.528 1.00 40.03 C ATOM 130 C VAL A 10 0.988 7.294 -1.461 1.00 22.43 C ATOM 131 O VAL A 10 0.009 7.463 -0.733 1.00 45.15 O ATOM 132 CB VAL A 10 -0.328 6.281 -3.323 1.00 63.31 C ATOM 133 CG1 VAL A 10 -0.433 7.609 -4.057 1.00 71.12 C ATOM 134 CG2 VAL A 10 -0.430 5.116 -4.297 1.00 23.42 C ATOM 0 H VAL A 10 0.362 4.530 -1.432 1.00 3.52 H new ATOM 0 HA VAL A 10 1.826 6.367 -3.208 1.00 40.03 H new ATOM 0 HB VAL A 10 -1.160 6.214 -2.622 1.00 63.31 H new ATOM 0 HG11 VAL A 10 -1.370 7.644 -4.613 1.00 71.12 H new ATOM 0 HG12 VAL A 10 -0.408 8.426 -3.336 1.00 71.12 H new ATOM 0 HG13 VAL A 10 0.403 7.710 -4.749 1.00 71.12 H new ATOM 0 HG21 VAL A 10 -1.367 5.185 -4.850 1.00 23.42 H new ATOM 0 HG22 VAL A 10 0.407 5.150 -4.994 1.00 23.42 H new ATOM 0 HG23 VAL A 10 -0.404 4.177 -3.745 1.00 23.42 H new ATOM 144 N CYS A 11 2.092 8.029 -1.374 1.00 33.23 N ATOM 145 CA CYS A 11 2.219 9.103 -0.394 1.00 72.34 C ATOM 146 C CYS A 11 3.479 9.923 -0.648 1.00 4.12 C ATOM 147 O CYS A 11 4.577 9.530 -0.258 1.00 63.32 O ATOM 148 CB CYS A 11 2.246 8.528 1.023 1.00 42.10 C ATOM 149 SG CYS A 11 2.474 9.768 2.318 1.00 5.23 S ATOM 0 H CYS A 11 2.911 7.901 -1.969 1.00 33.23 H new ATOM 0 HA CYS A 11 1.354 9.759 -0.495 1.00 72.34 H new ATOM 0 HB2 CYS A 11 1.313 7.995 1.205 1.00 42.10 H new ATOM 0 HB3 CYS A 11 3.050 7.795 1.091 1.00 42.10 H new ATOM 0 HG CYS A 11 3.532 10.478 2.058 1.00 5.23 H new ATOM 155 N GLY A 12 3.313 11.067 -1.307 1.00 33.14 N ATOM 156 CA GLY A 12 4.445 11.923 -1.603 1.00 0.43 C ATOM 157 C GLY A 12 5.071 12.511 -0.353 1.00 54.51 C ATOM 158 O GLY A 12 4.644 13.561 0.128 1.00 51.25 O ATOM 0 H GLY A 12 2.414 11.415 -1.641 1.00 33.14 H new ATOM 0 HA2 GLY A 12 5.196 11.351 -2.147 1.00 0.43 H new ATOM 0 HA3 GLY A 12 4.123 12.732 -2.259 1.00 0.43 H new ATOM 162 N ALA A 13 6.083 11.832 0.175 1.00 2.54 N ATOM 163 CA ALA A 13 6.768 12.293 1.376 1.00 1.24 C ATOM 164 C ALA A 13 7.872 13.287 1.032 1.00 50.23 C ATOM 165 O ALA A 13 8.218 14.150 1.837 1.00 23.12 O ATOM 166 CB ALA A 13 7.340 11.111 2.145 1.00 50.31 C ATOM 0 H ALA A 13 6.447 10.960 -0.210 1.00 2.54 H new ATOM 0 HA ALA A 13 6.039 12.803 2.006 1.00 1.24 H new ATOM 0 HB1 ALA A 13 7.849 11.471 3.039 1.00 50.31 H new ATOM 0 HB2 ALA A 13 6.532 10.439 2.433 1.00 50.31 H new ATOM 0 HB3 ALA A 13 8.050 10.576 1.514 1.00 50.31 H new ATOM 172 N GLY A 14 8.423 13.159 -0.172 1.00 54.31 N ATOM 173 CA GLY A 14 9.483 14.052 -0.602 1.00 0.23 C ATOM 174 C GLY A 14 10.697 13.988 0.303 1.00 32.24 C ATOM 175 O GLY A 14 11.447 14.958 0.416 1.00 35.43 O ATOM 0 H GLY A 14 8.154 12.453 -0.857 1.00 54.31 H new ATOM 0 HA2 GLY A 14 9.778 13.797 -1.620 1.00 0.23 H new ATOM 0 HA3 GLY A 14 9.105 15.074 -0.626 1.00 0.23 H new ATOM 179 N MET A 15 10.892 12.843 0.949 1.00 11.34 N ATOM 180 CA MET A 15 12.024 12.657 1.849 1.00 14.33 C ATOM 181 C MET A 15 12.841 11.432 1.450 1.00 54.22 C ATOM 182 O MET A 15 12.352 10.554 0.738 1.00 22.13 O ATOM 183 CB MET A 15 11.537 12.512 3.293 1.00 61.51 C ATOM 184 CG MET A 15 12.332 13.342 4.289 1.00 73.43 C ATOM 185 SD MET A 15 11.844 13.032 5.997 1.00 72.32 S ATOM 186 CE MET A 15 13.067 13.997 6.879 1.00 12.40 C ATOM 0 H MET A 15 10.281 12.030 0.866 1.00 11.34 H new ATOM 0 HA MET A 15 12.663 13.537 1.775 1.00 14.33 H new ATOM 0 HB2 MET A 15 10.488 12.804 3.345 1.00 61.51 H new ATOM 0 HB3 MET A 15 11.591 11.462 3.582 1.00 61.51 H new ATOM 0 HG2 MET A 15 13.393 13.123 4.173 1.00 73.43 H new ATOM 0 HG3 MET A 15 12.198 14.400 4.063 1.00 73.43 H new ATOM 0 HE1 MET A 15 12.897 13.907 7.952 1.00 12.40 H new ATOM 0 HE2 MET A 15 14.064 13.629 6.637 1.00 12.40 H new ATOM 0 HE3 MET A 15 12.985 15.044 6.586 1.00 12.40 H new ATOM 196 N SER A 16 14.085 11.379 1.912 1.00 10.03 N ATOM 197 CA SER A 16 14.971 10.264 1.599 1.00 35.13 C ATOM 198 C SER A 16 14.464 8.974 2.238 1.00 64.33 C ATOM 199 O SER A 16 14.648 7.884 1.695 1.00 74.42 O ATOM 200 CB SER A 16 16.392 10.562 2.082 1.00 52.22 C ATOM 201 OG SER A 16 16.377 11.411 3.216 1.00 45.23 O ATOM 0 H SER A 16 14.503 12.096 2.505 1.00 10.03 H new ATOM 0 HA SER A 16 14.984 10.134 0.517 1.00 35.13 H new ATOM 0 HB2 SER A 16 16.899 9.629 2.329 1.00 52.22 H new ATOM 0 HB3 SER A 16 16.961 11.031 1.280 1.00 52.22 H new ATOM 0 HG SER A 16 17.297 11.585 3.506 1.00 45.23 H new ATOM 207 N THR A 17 13.827 9.104 3.397 1.00 12.40 N ATOM 208 CA THR A 17 13.294 7.951 4.111 1.00 25.03 C ATOM 209 C THR A 17 11.892 8.230 4.640 1.00 42.45 C ATOM 210 O THR A 17 11.654 9.250 5.286 1.00 54.44 O ATOM 211 CB THR A 17 14.205 7.551 5.289 1.00 72.35 C ATOM 212 OG1 THR A 17 15.579 7.719 4.924 1.00 21.32 O ATOM 213 CG2 THR A 17 13.956 6.107 5.698 1.00 62.14 C ATOM 0 H THR A 17 13.668 9.998 3.862 1.00 12.40 H new ATOM 0 HA THR A 17 13.252 7.129 3.397 1.00 25.03 H new ATOM 0 HB THR A 17 13.973 8.197 6.136 1.00 72.35 H new ATOM 0 HG1 THR A 17 16.151 7.464 5.678 1.00 21.32 H new ATOM 0 HG21 THR A 17 14.610 5.847 6.531 1.00 62.14 H new ATOM 0 HG22 THR A 17 12.916 5.989 6.003 1.00 62.14 H new ATOM 0 HG23 THR A 17 14.164 5.449 4.854 1.00 62.14 H new ATOM 221 N SER A 18 10.968 7.317 4.363 1.00 34.41 N ATOM 222 CA SER A 18 9.588 7.467 4.808 1.00 34.44 C ATOM 223 C SER A 18 9.347 6.693 6.101 1.00 61.41 C ATOM 224 O SER A 18 9.773 5.546 6.240 1.00 72.34 O ATOM 225 CB SER A 18 8.624 6.982 3.723 1.00 33.42 C ATOM 226 OG SER A 18 8.430 7.976 2.732 1.00 71.30 O ATOM 0 H SER A 18 11.150 6.465 3.832 1.00 34.41 H new ATOM 0 HA SER A 18 9.407 8.525 4.999 1.00 34.44 H new ATOM 0 HB2 SER A 18 9.017 6.076 3.262 1.00 33.42 H new ATOM 0 HB3 SER A 18 7.666 6.721 4.173 1.00 33.42 H new ATOM 0 HG SER A 18 7.812 7.641 2.049 1.00 71.30 H new ATOM 232 N MET A 19 8.661 7.328 7.045 1.00 1.23 N ATOM 233 CA MET A 19 8.362 6.700 8.327 1.00 62.44 C ATOM 234 C MET A 19 7.643 5.370 8.125 1.00 30.10 C ATOM 235 O MET A 19 8.089 4.331 8.615 1.00 60.42 O ATOM 236 CB MET A 19 7.506 7.631 9.188 1.00 62.31 C ATOM 237 CG MET A 19 8.191 8.943 9.530 1.00 72.05 C ATOM 238 SD MET A 19 7.478 10.348 8.654 1.00 15.30 S ATOM 239 CE MET A 19 8.925 11.379 8.430 1.00 32.30 C ATOM 0 H MET A 19 8.301 8.277 6.947 1.00 1.23 H new ATOM 0 HA MET A 19 9.305 6.509 8.839 1.00 62.44 H new ATOM 0 HB2 MET A 19 6.574 7.843 8.663 1.00 62.31 H new ATOM 0 HB3 MET A 19 7.242 7.117 10.112 1.00 62.31 H new ATOM 0 HG2 MET A 19 8.121 9.116 10.604 1.00 72.05 H new ATOM 0 HG3 MET A 19 9.251 8.869 9.288 1.00 72.05 H new ATOM 0 HE1 MET A 19 8.644 12.290 7.901 1.00 32.30 H new ATOM 0 HE2 MET A 19 9.341 11.639 9.403 1.00 32.30 H new ATOM 0 HE3 MET A 19 9.671 10.837 7.849 1.00 32.30 H new ATOM 249 N LEU A 20 6.528 5.408 7.403 1.00 4.54 N ATOM 250 CA LEU A 20 5.748 4.205 7.137 1.00 14.34 C ATOM 251 C LEU A 20 6.627 3.100 6.562 1.00 24.44 C ATOM 252 O LEU A 20 6.719 2.009 7.125 1.00 41.14 O ATOM 253 CB LEU A 20 4.606 4.519 6.169 1.00 31.43 C ATOM 254 CG LEU A 20 3.305 5.013 6.803 1.00 42.14 C ATOM 255 CD1 LEU A 20 2.305 5.410 5.728 1.00 12.41 C ATOM 256 CD2 LEU A 20 2.716 3.946 7.714 1.00 24.45 C ATOM 0 H LEU A 20 6.144 6.259 6.992 1.00 4.54 H new ATOM 0 HA LEU A 20 5.331 3.856 8.082 1.00 14.34 H new ATOM 0 HB2 LEU A 20 4.952 5.274 5.463 1.00 31.43 H new ATOM 0 HB3 LEU A 20 4.387 3.620 5.593 1.00 31.43 H new ATOM 0 HG LEU A 20 3.529 5.893 7.406 1.00 42.14 H new ATOM 0 HD11 LEU A 20 1.385 5.759 6.198 1.00 12.41 H new ATOM 0 HD12 LEU A 20 2.726 6.208 5.117 1.00 12.41 H new ATOM 0 HD13 LEU A 20 2.086 4.548 5.098 1.00 12.41 H new ATOM 0 HD21 LEU A 20 1.791 4.315 8.156 1.00 24.45 H new ATOM 0 HD22 LEU A 20 2.507 3.047 7.134 1.00 24.45 H new ATOM 0 HD23 LEU A 20 3.427 3.710 8.505 1.00 24.45 H new ATOM 268 N VAL A 21 7.276 3.391 5.439 1.00 23.05 N ATOM 269 CA VAL A 21 8.153 2.424 4.789 1.00 20.34 C ATOM 270 C VAL A 21 9.223 1.919 5.751 1.00 1.05 C ATOM 271 O VAL A 21 9.610 0.752 5.706 1.00 20.10 O ATOM 272 CB VAL A 21 8.837 3.030 3.550 1.00 42.45 C ATOM 273 CG1 VAL A 21 9.649 1.973 2.818 1.00 63.33 C ATOM 274 CG2 VAL A 21 7.804 3.656 2.625 1.00 45.54 C ATOM 0 H VAL A 21 7.211 4.289 4.960 1.00 23.05 H new ATOM 0 HA VAL A 21 7.526 1.589 4.476 1.00 20.34 H new ATOM 0 HB VAL A 21 9.519 3.814 3.879 1.00 42.45 H new ATOM 0 HG11 VAL A 21 10.125 2.420 1.945 1.00 63.33 H new ATOM 0 HG12 VAL A 21 10.414 1.575 3.485 1.00 63.33 H new ATOM 0 HG13 VAL A 21 8.991 1.165 2.498 1.00 63.33 H new ATOM 0 HG21 VAL A 21 8.305 4.080 1.754 1.00 45.54 H new ATOM 0 HG22 VAL A 21 7.096 2.893 2.301 1.00 45.54 H new ATOM 0 HG23 VAL A 21 7.270 4.444 3.156 1.00 45.54 H new ATOM 284 N GLN A 22 9.695 2.806 6.621 1.00 51.22 N ATOM 285 CA GLN A 22 10.721 2.450 7.594 1.00 71.21 C ATOM 286 C GLN A 22 10.225 1.354 8.531 1.00 60.34 C ATOM 287 O GLN A 22 10.784 0.258 8.569 1.00 32.30 O ATOM 288 CB GLN A 22 11.135 3.680 8.403 1.00 31.24 C ATOM 289 CG GLN A 22 12.498 4.233 8.016 1.00 24.44 C ATOM 290 CD GLN A 22 13.624 3.637 8.839 1.00 13.33 C ATOM 291 OE1 GLN A 22 14.124 2.554 8.537 1.00 61.25 O ATOM 292 NE2 GLN A 22 14.029 4.344 9.888 1.00 50.55 N ATOM 0 H GLN A 22 9.383 3.776 6.672 1.00 51.22 H new ATOM 0 HA GLN A 22 11.587 2.073 7.050 1.00 71.21 H new ATOM 0 HB2 GLN A 22 10.385 4.460 8.272 1.00 31.24 H new ATOM 0 HB3 GLN A 22 11.144 3.422 9.462 1.00 31.24 H new ATOM 0 HG2 GLN A 22 12.680 4.034 6.960 1.00 24.44 H new ATOM 0 HG3 GLN A 22 12.495 5.316 8.141 1.00 24.44 H new ATOM 0 HE21 GLN A 22 13.586 5.238 10.102 1.00 50.55 H new ATOM 0 HE22 GLN A 22 14.783 3.993 10.479 1.00 50.55 H new ATOM 301 N ARG A 23 9.175 1.657 9.285 1.00 14.44 N ATOM 302 CA ARG A 23 8.604 0.698 10.223 1.00 1.23 C ATOM 303 C ARG A 23 8.270 -0.615 9.522 1.00 65.50 C ATOM 304 O ARG A 23 8.676 -1.689 9.968 1.00 43.32 O ATOM 305 CB ARG A 23 7.346 1.275 10.875 1.00 63.43 C ATOM 306 CG ARG A 23 7.591 2.572 11.629 1.00 24.22 C ATOM 307 CD ARG A 23 7.177 2.454 13.088 1.00 13.51 C ATOM 308 NE ARG A 23 8.159 1.720 13.879 1.00 24.14 N ATOM 309 CZ ARG A 23 9.291 2.255 14.327 1.00 73.35 C ATOM 310 NH1 ARG A 23 9.579 3.521 14.062 1.00 14.42 N ATOM 311 NH2 ARG A 23 10.135 1.522 15.041 1.00 5.12 N ATOM 0 H ARG A 23 8.701 2.560 9.265 1.00 14.44 H new ATOM 0 HA ARG A 23 9.346 0.499 10.996 1.00 1.23 H new ATOM 0 HB2 ARG A 23 6.595 1.449 10.105 1.00 63.43 H new ATOM 0 HB3 ARG A 23 6.932 0.537 11.563 1.00 63.43 H new ATOM 0 HG2 ARG A 23 8.647 2.835 11.569 1.00 24.22 H new ATOM 0 HG3 ARG A 23 7.034 3.380 11.156 1.00 24.22 H new ATOM 0 HD2 ARG A 23 7.045 3.451 13.509 1.00 13.51 H new ATOM 0 HD3 ARG A 23 6.212 1.951 13.151 1.00 13.51 H new ATOM 0 HE ARG A 23 7.967 0.743 14.100 1.00 24.14 H new ATOM 0 HH11 ARG A 23 8.932 4.087 13.513 1.00 14.42 H new ATOM 0 HH12 ARG A 23 10.448 3.929 14.407 1.00 14.42 H new ATOM 0 HH21 ARG A 23 9.916 0.547 15.247 1.00 5.12 H new ATOM 0 HH22 ARG A 23 11.003 1.933 15.384 1.00 5.12 H new ATOM 325 N ILE A 24 7.528 -0.522 8.424 1.00 15.31 N ATOM 326 CA ILE A 24 7.140 -1.702 7.662 1.00 62.24 C ATOM 327 C ILE A 24 8.360 -2.530 7.272 1.00 21.44 C ATOM 328 O ILE A 24 8.372 -3.749 7.436 1.00 73.53 O ATOM 329 CB ILE A 24 6.365 -1.319 6.387 1.00 21.33 C ATOM 330 CG1 ILE A 24 5.115 -0.514 6.747 1.00 35.31 C ATOM 331 CG2 ILE A 24 5.990 -2.567 5.601 1.00 43.45 C ATOM 332 CD1 ILE A 24 4.541 0.262 5.583 1.00 53.43 C ATOM 0 H ILE A 24 7.183 0.359 8.042 1.00 15.31 H new ATOM 0 HA ILE A 24 6.492 -2.295 8.307 1.00 62.24 H new ATOM 0 HB ILE A 24 7.006 -0.698 5.762 1.00 21.33 H new ATOM 0 HG12 ILE A 24 4.354 -1.193 7.132 1.00 35.31 H new ATOM 0 HG13 ILE A 24 5.359 0.180 7.551 1.00 35.31 H new ATOM 0 HG21 ILE A 24 5.443 -2.281 4.703 1.00 43.45 H new ATOM 0 HG22 ILE A 24 6.895 -3.105 5.319 1.00 43.45 H new ATOM 0 HG23 ILE A 24 5.363 -3.211 6.218 1.00 43.45 H new ATOM 0 HD11 ILE A 24 3.657 0.809 5.911 1.00 53.43 H new ATOM 0 HD12 ILE A 24 5.286 0.966 5.212 1.00 53.43 H new ATOM 0 HD13 ILE A 24 4.266 -0.428 4.786 1.00 53.43 H new ATOM 344 N GLU A 25 9.384 -1.858 6.758 1.00 61.25 N ATOM 345 CA GLU A 25 10.610 -2.533 6.345 1.00 13.44 C ATOM 346 C GLU A 25 11.253 -3.261 7.523 1.00 74.32 C ATOM 347 O GLU A 25 11.752 -4.376 7.379 1.00 22.41 O ATOM 348 CB GLU A 25 11.598 -1.526 5.753 1.00 4.25 C ATOM 349 CG GLU A 25 11.305 -1.161 4.308 1.00 33.53 C ATOM 350 CD GLU A 25 12.234 -1.854 3.331 1.00 24.01 C ATOM 351 OE1 GLU A 25 13.439 -1.526 3.326 1.00 45.14 O ATOM 352 OE2 GLU A 25 11.758 -2.724 2.573 1.00 51.24 O ATOM 0 H GLU A 25 9.390 -0.848 6.617 1.00 61.25 H new ATOM 0 HA GLU A 25 10.351 -3.268 5.583 1.00 13.44 H new ATOM 0 HB2 GLU A 25 11.585 -0.619 6.357 1.00 4.25 H new ATOM 0 HB3 GLU A 25 12.605 -1.938 5.818 1.00 4.25 H new ATOM 0 HG2 GLU A 25 10.274 -1.425 4.073 1.00 33.53 H new ATOM 0 HG3 GLU A 25 11.394 -0.082 4.185 1.00 33.53 H new ATOM 359 N LYS A 26 11.235 -2.621 8.687 1.00 1.03 N ATOM 360 CA LYS A 26 11.814 -3.206 9.890 1.00 72.32 C ATOM 361 C LYS A 26 11.043 -4.452 10.315 1.00 0.13 C ATOM 362 O LYS A 26 11.620 -5.529 10.464 1.00 74.35 O ATOM 363 CB LYS A 26 11.819 -2.183 11.028 1.00 33.24 C ATOM 364 CG LYS A 26 13.181 -1.563 11.284 1.00 25.24 C ATOM 365 CD LYS A 26 13.478 -1.461 12.771 1.00 21.30 C ATOM 366 CE LYS A 26 14.497 -0.371 13.063 1.00 55.41 C ATOM 367 NZ LYS A 26 15.880 -0.914 13.158 1.00 54.22 N ATOM 0 H LYS A 26 10.826 -1.697 8.823 1.00 1.03 H new ATOM 0 HA LYS A 26 12.841 -3.495 9.665 1.00 72.32 H new ATOM 0 HB2 LYS A 26 11.107 -1.391 10.796 1.00 33.24 H new ATOM 0 HB3 LYS A 26 11.472 -2.667 11.941 1.00 33.24 H new ATOM 0 HG2 LYS A 26 13.951 -2.162 10.799 1.00 25.24 H new ATOM 0 HG3 LYS A 26 13.220 -0.570 10.836 1.00 25.24 H new ATOM 0 HD2 LYS A 26 12.556 -1.253 13.314 1.00 21.30 H new ATOM 0 HD3 LYS A 26 13.853 -2.418 13.135 1.00 21.30 H new ATOM 0 HE2 LYS A 26 14.457 0.383 12.277 1.00 55.41 H new ATOM 0 HE3 LYS A 26 14.238 0.127 13.997 1.00 55.41 H new ATOM 0 HZ1 LYS A 26 16.544 -0.139 13.358 1.00 54.22 H new ATOM 0 HZ2 LYS A 26 15.926 -1.616 13.924 1.00 54.22 H new ATOM 0 HZ3 LYS A 26 16.138 -1.367 12.258 1.00 54.22 H new ATOM 381 N TYR A 27 9.738 -4.297 10.508 1.00 1.11 N ATOM 382 CA TYR A 27 8.888 -5.408 10.916 1.00 20.43 C ATOM 383 C TYR A 27 9.078 -6.607 9.993 1.00 63.14 C ATOM 384 O TYR A 27 9.271 -7.733 10.449 1.00 34.20 O ATOM 385 CB TYR A 27 7.420 -4.981 10.921 1.00 54.23 C ATOM 386 CG TYR A 27 6.464 -6.101 11.265 1.00 50.32 C ATOM 387 CD1 TYR A 27 6.016 -6.983 10.289 1.00 32.32 C ATOM 388 CD2 TYR A 27 6.009 -6.276 12.566 1.00 32.34 C ATOM 389 CE1 TYR A 27 5.142 -8.007 10.600 1.00 53.44 C ATOM 390 CE2 TYR A 27 5.136 -7.298 12.885 1.00 21.51 C ATOM 391 CZ TYR A 27 4.705 -8.161 11.899 1.00 24.53 C ATOM 392 OH TYR A 27 3.835 -9.179 12.213 1.00 30.34 O ATOM 0 H TYR A 27 9.246 -3.412 10.388 1.00 1.11 H new ATOM 0 HA TYR A 27 9.177 -5.700 11.926 1.00 20.43 H new ATOM 0 HB2 TYR A 27 7.289 -4.170 11.637 1.00 54.23 H new ATOM 0 HB3 TYR A 27 7.163 -4.584 9.939 1.00 54.23 H new ATOM 0 HD1 TYR A 27 6.357 -6.866 9.271 1.00 32.32 H new ATOM 0 HD2 TYR A 27 6.343 -5.602 13.341 1.00 32.34 H new ATOM 0 HE1 TYR A 27 4.803 -8.684 9.830 1.00 53.44 H new ATOM 0 HE2 TYR A 27 4.793 -7.421 13.902 1.00 21.51 H new ATOM 0 HH TYR A 27 3.627 -9.148 13.170 1.00 30.34 H new ATOM 402 N ALA A 28 9.022 -6.356 8.688 1.00 30.21 N ATOM 403 CA ALA A 28 9.191 -7.412 7.698 1.00 20.14 C ATOM 404 C ALA A 28 10.602 -7.987 7.743 1.00 4.10 C ATOM 405 O ALA A 28 10.789 -9.197 7.861 1.00 34.54 O ATOM 406 CB ALA A 28 8.877 -6.886 6.306 1.00 54.13 C ATOM 0 H ALA A 28 8.861 -5.430 8.293 1.00 30.21 H new ATOM 0 HA ALA A 28 8.493 -8.214 7.937 1.00 20.14 H new ATOM 0 HB1 ALA A 28 9.008 -7.686 5.577 1.00 54.13 H new ATOM 0 HB2 ALA A 28 7.847 -6.531 6.275 1.00 54.13 H new ATOM 0 HB3 ALA A 28 9.551 -6.064 6.067 1.00 54.13 H new ATOM 412 N LYS A 29 11.596 -7.110 7.646 1.00 43.23 N ATOM 413 CA LYS A 29 12.992 -7.528 7.675 1.00 62.00 C ATOM 414 C LYS A 29 13.293 -8.333 8.935 1.00 32.14 C ATOM 415 O LYS A 29 14.209 -9.154 8.956 1.00 44.42 O ATOM 416 CB LYS A 29 13.914 -6.308 7.605 1.00 14.10 C ATOM 417 CG LYS A 29 14.040 -5.721 6.211 1.00 43.24 C ATOM 418 CD LYS A 29 14.828 -4.422 6.221 1.00 12.33 C ATOM 419 CE LYS A 29 16.198 -4.594 5.583 1.00 62.54 C ATOM 420 NZ LYS A 29 16.666 -3.342 4.926 1.00 70.21 N ATOM 0 H LYS A 29 11.460 -6.104 7.547 1.00 43.23 H new ATOM 0 HA LYS A 29 13.172 -8.162 6.807 1.00 62.00 H new ATOM 0 HB2 LYS A 29 13.538 -5.540 8.281 1.00 14.10 H new ATOM 0 HB3 LYS A 29 14.904 -6.590 7.962 1.00 14.10 H new ATOM 0 HG2 LYS A 29 14.531 -6.440 5.556 1.00 43.24 H new ATOM 0 HG3 LYS A 29 13.047 -5.542 5.800 1.00 43.24 H new ATOM 0 HD2 LYS A 29 14.271 -3.653 5.686 1.00 12.33 H new ATOM 0 HD3 LYS A 29 14.945 -4.074 7.247 1.00 12.33 H new ATOM 0 HE2 LYS A 29 16.918 -4.895 6.344 1.00 62.54 H new ATOM 0 HE3 LYS A 29 16.157 -5.397 4.847 1.00 62.54 H new ATOM 0 HZ1 LYS A 29 17.603 -3.501 4.504 1.00 70.21 H new ATOM 0 HZ2 LYS A 29 15.993 -3.068 4.182 1.00 70.21 H new ATOM 0 HZ3 LYS A 29 16.729 -2.582 5.633 1.00 70.21 H new ATOM 434 N SER A 30 12.513 -8.093 9.985 1.00 0.14 N ATOM 435 CA SER A 30 12.698 -8.795 11.250 1.00 10.33 C ATOM 436 C SER A 30 11.920 -10.107 11.262 1.00 64.23 C ATOM 437 O SER A 30 12.419 -11.134 11.723 1.00 65.20 O ATOM 438 CB SER A 30 12.248 -7.912 12.417 1.00 63.12 C ATOM 439 OG SER A 30 11.655 -8.688 13.445 1.00 65.44 O ATOM 0 H SER A 30 11.748 -7.419 9.985 1.00 0.14 H new ATOM 0 HA SER A 30 13.759 -9.021 11.361 1.00 10.33 H new ATOM 0 HB2 SER A 30 13.104 -7.367 12.816 1.00 63.12 H new ATOM 0 HB3 SER A 30 11.535 -7.169 12.061 1.00 63.12 H new ATOM 0 HG SER A 30 11.378 -8.101 14.179 1.00 65.44 H new ATOM 445 N LYS A 31 10.695 -10.066 10.752 1.00 75.14 N ATOM 446 CA LYS A 31 9.847 -11.251 10.701 1.00 53.14 C ATOM 447 C LYS A 31 10.322 -12.214 9.617 1.00 32.51 C ATOM 448 O LYS A 31 9.888 -13.364 9.562 1.00 13.53 O ATOM 449 CB LYS A 31 8.392 -10.851 10.440 1.00 62.40 C ATOM 450 CG LYS A 31 7.578 -10.659 11.707 1.00 51.12 C ATOM 451 CD LYS A 31 7.426 -11.961 12.476 1.00 52.31 C ATOM 452 CE LYS A 31 6.267 -11.894 13.459 1.00 31.53 C ATOM 453 NZ LYS A 31 6.659 -12.380 14.812 1.00 63.54 N ATOM 0 H LYS A 31 10.266 -9.224 10.367 1.00 75.14 H new ATOM 0 HA LYS A 31 9.912 -11.756 11.665 1.00 53.14 H new ATOM 0 HB2 LYS A 31 8.376 -9.926 9.864 1.00 62.40 H new ATOM 0 HB3 LYS A 31 7.918 -11.617 9.826 1.00 62.40 H new ATOM 0 HG2 LYS A 31 8.061 -9.915 12.341 1.00 51.12 H new ATOM 0 HG3 LYS A 31 6.593 -10.269 11.452 1.00 51.12 H new ATOM 0 HD2 LYS A 31 7.265 -12.781 11.777 1.00 52.31 H new ATOM 0 HD3 LYS A 31 8.349 -12.177 13.014 1.00 52.31 H new ATOM 0 HE2 LYS A 31 5.911 -10.866 13.531 1.00 31.53 H new ATOM 0 HE3 LYS A 31 5.437 -12.493 13.084 1.00 31.53 H new ATOM 0 HZ1 LYS A 31 5.842 -12.319 15.453 1.00 63.54 H new ATOM 0 HZ2 LYS A 31 6.975 -13.369 14.748 1.00 63.54 H new ATOM 0 HZ3 LYS A 31 7.434 -11.792 15.181 1.00 63.54 H new ATOM 467 N ASN A 32 11.217 -11.738 8.759 1.00 64.01 N ATOM 468 CA ASN A 32 11.753 -12.558 7.679 1.00 51.33 C ATOM 469 C ASN A 32 10.638 -13.030 6.751 1.00 11.03 C ATOM 470 O ASN A 32 10.382 -14.229 6.632 1.00 35.24 O ATOM 471 CB ASN A 32 12.503 -13.764 8.249 1.00 42.34 C ATOM 472 CG ASN A 32 13.959 -13.454 8.540 1.00 15.42 C ATOM 473 OD1 ASN A 32 14.309 -12.322 8.873 1.00 50.24 O ATOM 474 ND2 ASN A 32 14.813 -14.462 8.417 1.00 64.14 N ATOM 0 H ASN A 32 11.587 -10.788 8.790 1.00 64.01 H new ATOM 0 HA ASN A 32 12.448 -11.947 7.103 1.00 51.33 H new ATOM 0 HB2 ASN A 32 12.014 -14.092 9.166 1.00 42.34 H new ATOM 0 HB3 ASN A 32 12.445 -14.592 7.542 1.00 42.34 H new ATOM 0 HD21 ASN A 32 15.805 -14.315 8.601 1.00 64.14 H new ATOM 0 HD22 ASN A 32 14.477 -15.384 8.138 1.00 64.14 H new ATOM 481 N ILE A 33 9.979 -12.081 6.096 1.00 71.13 N ATOM 482 CA ILE A 33 8.893 -12.400 5.177 1.00 22.30 C ATOM 483 C ILE A 33 9.258 -12.028 3.744 1.00 34.01 C ATOM 484 O ILE A 33 9.928 -11.024 3.504 1.00 73.41 O ATOM 485 CB ILE A 33 7.593 -11.674 5.569 1.00 53.43 C ATOM 486 CG1 ILE A 33 7.175 -12.060 6.990 1.00 42.05 C ATOM 487 CG2 ILE A 33 6.484 -12.000 4.579 1.00 5.02 C ATOM 488 CD1 ILE A 33 6.226 -11.072 7.631 1.00 71.43 C ATOM 0 H ILE A 33 10.178 -11.084 6.184 1.00 71.13 H new ATOM 0 HA ILE A 33 8.732 -13.476 5.240 1.00 22.30 H new ATOM 0 HB ILE A 33 7.773 -10.599 5.542 1.00 53.43 H new ATOM 0 HG12 ILE A 33 6.703 -13.042 6.967 1.00 42.05 H new ATOM 0 HG13 ILE A 33 8.067 -12.150 7.610 1.00 42.05 H new ATOM 0 HG21 ILE A 33 5.572 -11.479 4.870 1.00 5.02 H new ATOM 0 HG22 ILE A 33 6.782 -11.680 3.581 1.00 5.02 H new ATOM 0 HG23 ILE A 33 6.303 -13.075 4.576 1.00 5.02 H new ATOM 0 HD11 ILE A 33 5.973 -11.410 8.636 1.00 71.43 H new ATOM 0 HD12 ILE A 33 6.703 -10.093 7.687 1.00 71.43 H new ATOM 0 HD13 ILE A 33 5.318 -11.000 7.033 1.00 71.43 H new ATOM 500 N ASN A 34 8.809 -12.844 2.795 1.00 53.43 N ATOM 501 CA ASN A 34 9.087 -12.599 1.384 1.00 74.42 C ATOM 502 C ASN A 34 8.105 -11.585 0.804 1.00 4.01 C ATOM 503 O ASN A 34 7.117 -11.954 0.172 1.00 63.44 O ATOM 504 CB ASN A 34 9.012 -13.908 0.594 1.00 53.23 C ATOM 505 CG ASN A 34 10.195 -14.816 0.867 1.00 33.44 C ATOM 506 OD1 ASN A 34 11.157 -14.850 0.100 1.00 13.03 O ATOM 507 ND2 ASN A 34 10.128 -15.560 1.967 1.00 51.15 N ATOM 0 H ASN A 34 8.252 -13.679 2.977 1.00 53.43 H new ATOM 0 HA ASN A 34 10.094 -12.190 1.303 1.00 74.42 H new ATOM 0 HB2 ASN A 34 8.090 -14.431 0.849 1.00 53.23 H new ATOM 0 HB3 ASN A 34 8.968 -13.684 -0.472 1.00 53.23 H new ATOM 0 HD21 ASN A 34 10.894 -16.191 2.203 1.00 51.15 H new ATOM 0 HD22 ASN A 34 9.311 -15.500 2.574 1.00 51.15 H new ATOM 514 N ALA A 35 8.388 -10.305 1.023 1.00 52.44 N ATOM 515 CA ALA A 35 7.532 -9.237 0.521 1.00 73.44 C ATOM 516 C ALA A 35 8.334 -7.966 0.265 1.00 12.15 C ATOM 517 O ALA A 35 9.381 -7.746 0.874 1.00 24.13 O ATOM 518 CB ALA A 35 6.400 -8.963 1.499 1.00 54.31 C ATOM 0 H ALA A 35 9.203 -9.983 1.545 1.00 52.44 H new ATOM 0 HA ALA A 35 7.105 -9.563 -0.428 1.00 73.44 H new ATOM 0 HB1 ALA A 35 5.769 -8.163 1.111 1.00 54.31 H new ATOM 0 HB2 ALA A 35 5.803 -9.866 1.627 1.00 54.31 H new ATOM 0 HB3 ALA A 35 6.815 -8.663 2.461 1.00 54.31 H new ATOM 524 N THR A 36 7.836 -7.129 -0.641 1.00 33.53 N ATOM 525 CA THR A 36 8.507 -5.880 -0.977 1.00 13.31 C ATOM 526 C THR A 36 7.556 -4.695 -0.854 1.00 55.30 C ATOM 527 O THR A 36 6.336 -4.860 -0.879 1.00 31.23 O ATOM 528 CB THR A 36 9.079 -5.918 -2.407 1.00 54.02 C ATOM 529 OG1 THR A 36 8.576 -7.061 -3.106 1.00 32.43 O ATOM 530 CG2 THR A 36 10.599 -5.962 -2.381 1.00 2.13 C ATOM 0 H THR A 36 6.970 -7.294 -1.155 1.00 33.53 H new ATOM 0 HA THR A 36 9.326 -5.760 -0.268 1.00 13.31 H new ATOM 0 HB THR A 36 8.766 -5.010 -2.923 1.00 54.02 H new ATOM 0 HG1 THR A 36 8.943 -7.077 -4.015 1.00 32.43 H new ATOM 0 HG21 THR A 36 10.980 -5.988 -3.402 1.00 2.13 H new ATOM 0 HG22 THR A 36 10.980 -5.075 -1.874 1.00 2.13 H new ATOM 0 HG23 THR A 36 10.928 -6.854 -1.848 1.00 2.13 H new ATOM 538 N ILE A 37 8.122 -3.500 -0.721 1.00 70.22 N ATOM 539 CA ILE A 37 7.323 -2.287 -0.596 1.00 0.54 C ATOM 540 C ILE A 37 8.029 -1.095 -1.235 1.00 71.21 C ATOM 541 O ILE A 37 9.214 -0.864 -0.998 1.00 73.53 O ATOM 542 CB ILE A 37 7.023 -1.961 0.879 1.00 50.20 C ATOM 543 CG1 ILE A 37 6.105 -0.741 0.978 1.00 70.10 C ATOM 544 CG2 ILE A 37 8.317 -1.719 1.642 1.00 45.04 C ATOM 545 CD1 ILE A 37 4.750 -0.952 0.339 1.00 15.40 C ATOM 0 H ILE A 37 9.130 -3.346 -0.697 1.00 70.22 H new ATOM 0 HA ILE A 37 6.384 -2.472 -1.117 1.00 0.54 H new ATOM 0 HB ILE A 37 6.513 -2.814 1.327 1.00 50.20 H new ATOM 0 HG12 ILE A 37 5.967 -0.485 2.028 1.00 70.10 H new ATOM 0 HG13 ILE A 37 6.593 0.110 0.504 1.00 70.10 H new ATOM 0 HG21 ILE A 37 8.088 -1.490 2.683 1.00 45.04 H new ATOM 0 HG22 ILE A 37 8.939 -2.613 1.596 1.00 45.04 H new ATOM 0 HG23 ILE A 37 8.852 -0.881 1.195 1.00 45.04 H new ATOM 0 HD11 ILE A 37 4.152 -0.047 0.447 1.00 15.40 H new ATOM 0 HD12 ILE A 37 4.878 -1.179 -0.719 1.00 15.40 H new ATOM 0 HD13 ILE A 37 4.242 -1.783 0.829 1.00 15.40 H new ATOM 557 N GLU A 38 7.291 -0.343 -2.045 1.00 2.54 N ATOM 558 CA GLU A 38 7.846 0.826 -2.716 1.00 43.52 C ATOM 559 C GLU A 38 6.858 1.989 -2.693 1.00 30.40 C ATOM 560 O GLU A 38 5.658 1.801 -2.889 1.00 1.22 O ATOM 561 CB GLU A 38 8.213 0.484 -4.162 1.00 62.42 C ATOM 562 CG GLU A 38 9.061 1.546 -4.843 1.00 21.33 C ATOM 563 CD GLU A 38 10.447 1.662 -4.239 1.00 53.01 C ATOM 564 OE1 GLU A 38 10.747 0.906 -3.292 1.00 63.23 O ATOM 565 OE2 GLU A 38 11.230 2.511 -4.714 1.00 22.33 O ATOM 0 H GLU A 38 6.308 -0.522 -2.252 1.00 2.54 H new ATOM 0 HA GLU A 38 8.746 1.127 -2.180 1.00 43.52 H new ATOM 0 HB2 GLU A 38 8.752 -0.463 -4.177 1.00 62.42 H new ATOM 0 HB3 GLU A 38 7.298 0.339 -4.736 1.00 62.42 H new ATOM 0 HG2 GLU A 38 9.150 1.310 -5.903 1.00 21.33 H new ATOM 0 HG3 GLU A 38 8.556 2.509 -4.772 1.00 21.33 H new ATOM 572 N ALA A 39 7.373 3.190 -2.452 1.00 52.54 N ATOM 573 CA ALA A 39 6.536 4.384 -2.404 1.00 23.40 C ATOM 574 C ALA A 39 6.839 5.312 -3.575 1.00 1.45 C ATOM 575 O ALA A 39 8.000 5.528 -3.925 1.00 33.13 O ATOM 576 CB ALA A 39 6.734 5.113 -1.084 1.00 41.10 C ATOM 0 H ALA A 39 8.365 3.363 -2.287 1.00 52.54 H new ATOM 0 HA ALA A 39 5.494 4.073 -2.481 1.00 23.40 H new ATOM 0 HB1 ALA A 39 6.104 6.002 -1.061 1.00 41.10 H new ATOM 0 HB2 ALA A 39 6.462 4.454 -0.260 1.00 41.10 H new ATOM 0 HB3 ALA A 39 7.779 5.406 -0.984 1.00 41.10 H new ATOM 582 N ILE A 40 5.788 5.860 -4.176 1.00 52.41 N ATOM 583 CA ILE A 40 5.942 6.767 -5.307 1.00 30.11 C ATOM 584 C ILE A 40 4.775 7.744 -5.392 1.00 15.12 C ATOM 585 O ILE A 40 3.869 7.719 -4.558 1.00 64.11 O ATOM 586 CB ILE A 40 6.049 5.996 -6.636 1.00 42.11 C ATOM 587 CG1 ILE A 40 4.938 4.948 -6.734 1.00 22.10 C ATOM 588 CG2 ILE A 40 7.416 5.339 -6.759 1.00 64.21 C ATOM 589 CD1 ILE A 40 4.231 4.940 -8.071 1.00 23.24 C ATOM 0 H ILE A 40 4.821 5.692 -3.899 1.00 52.41 H new ATOM 0 HA ILE A 40 6.866 7.322 -5.142 1.00 30.11 H new ATOM 0 HB ILE A 40 5.931 6.702 -7.458 1.00 42.11 H new ATOM 0 HG12 ILE A 40 5.363 3.961 -6.551 1.00 22.10 H new ATOM 0 HG13 ILE A 40 4.207 5.131 -5.947 1.00 22.10 H new ATOM 0 HG21 ILE A 40 7.476 4.798 -7.703 1.00 64.21 H new ATOM 0 HG22 ILE A 40 8.192 6.104 -6.729 1.00 64.21 H new ATOM 0 HG23 ILE A 40 7.561 4.643 -5.933 1.00 64.21 H new ATOM 0 HD11 ILE A 40 3.457 4.173 -8.069 1.00 23.24 H new ATOM 0 HD12 ILE A 40 3.776 5.915 -8.248 1.00 23.24 H new ATOM 0 HD13 ILE A 40 4.950 4.727 -8.862 1.00 23.24 H new ATOM 601 N ALA A 41 4.801 8.603 -6.405 1.00 0.30 N ATOM 602 CA ALA A 41 3.744 9.586 -6.602 1.00 53.21 C ATOM 603 C ALA A 41 2.565 8.980 -7.355 1.00 53.43 C ATOM 604 O ALA A 41 2.571 7.796 -7.688 1.00 3.02 O ATOM 605 CB ALA A 41 4.282 10.799 -7.346 1.00 54.34 C ATOM 0 H ALA A 41 5.544 8.638 -7.103 1.00 0.30 H new ATOM 0 HA ALA A 41 3.390 9.904 -5.621 1.00 53.21 H new ATOM 0 HB1 ALA A 41 3.481 11.525 -7.486 1.00 54.34 H new ATOM 0 HB2 ALA A 41 5.086 11.253 -6.768 1.00 54.34 H new ATOM 0 HB3 ALA A 41 4.665 10.489 -8.318 1.00 54.34 H new ATOM 611 N GLU A 42 1.553 9.801 -7.621 1.00 42.30 N ATOM 612 CA GLU A 42 0.366 9.344 -8.334 1.00 74.04 C ATOM 613 C GLU A 42 0.611 9.324 -9.841 1.00 33.40 C ATOM 614 O GLU A 42 -0.032 8.574 -10.576 1.00 34.11 O ATOM 615 CB GLU A 42 -0.828 10.245 -8.013 1.00 11.21 C ATOM 616 CG GLU A 42 -0.621 11.697 -8.414 1.00 62.34 C ATOM 617 CD GLU A 42 -1.410 12.660 -7.548 1.00 21.40 C ATOM 618 OE1 GLU A 42 -1.132 12.727 -6.333 1.00 34.11 O ATOM 619 OE2 GLU A 42 -2.304 13.345 -8.087 1.00 43.42 O ATOM 0 H GLU A 42 1.532 10.785 -7.354 1.00 42.30 H new ATOM 0 HA GLU A 42 0.144 8.329 -8.005 1.00 74.04 H new ATOM 0 HB2 GLU A 42 -1.711 9.859 -8.522 1.00 11.21 H new ATOM 0 HB3 GLU A 42 -1.031 10.198 -6.943 1.00 11.21 H new ATOM 0 HG2 GLU A 42 0.439 11.940 -8.348 1.00 62.34 H new ATOM 0 HG3 GLU A 42 -0.914 11.828 -9.456 1.00 62.34 H new ATOM 626 N THR A 43 1.545 10.154 -10.293 1.00 62.12 N ATOM 627 CA THR A 43 1.875 10.233 -11.711 1.00 43.53 C ATOM 628 C THR A 43 2.329 8.880 -12.247 1.00 23.40 C ATOM 629 O THR A 43 1.864 8.428 -13.294 1.00 1.44 O ATOM 630 CB THR A 43 2.981 11.273 -11.973 1.00 53.41 C ATOM 631 OG1 THR A 43 4.212 10.839 -11.386 1.00 70.54 O ATOM 632 CG2 THR A 43 2.593 12.630 -11.404 1.00 63.45 C ATOM 0 H THR A 43 2.087 10.781 -9.698 1.00 62.12 H new ATOM 0 HA THR A 43 0.967 10.540 -12.230 1.00 43.53 H new ATOM 0 HB THR A 43 3.108 11.371 -13.051 1.00 53.41 H new ATOM 0 HG1 THR A 43 4.910 11.505 -11.559 1.00 70.54 H new ATOM 0 HG21 THR A 43 3.389 13.348 -11.601 1.00 63.45 H new ATOM 0 HG22 THR A 43 1.671 12.972 -11.875 1.00 63.45 H new ATOM 0 HG23 THR A 43 2.441 12.543 -10.328 1.00 63.45 H new ATOM 640 N ARG A 44 3.239 8.237 -11.522 1.00 41.42 N ATOM 641 CA ARG A 44 3.756 6.935 -11.926 1.00 11.21 C ATOM 642 C ARG A 44 3.075 5.815 -11.146 1.00 74.53 C ATOM 643 O ARG A 44 3.572 4.689 -11.095 1.00 34.31 O ATOM 644 CB ARG A 44 5.270 6.874 -11.710 1.00 34.32 C ATOM 645 CG ARG A 44 6.028 8.000 -12.393 1.00 53.40 C ATOM 646 CD ARG A 44 7.482 8.044 -11.946 1.00 14.12 C ATOM 647 NE ARG A 44 8.240 9.073 -12.652 1.00 53.34 N ATOM 648 CZ ARG A 44 8.159 10.370 -12.370 1.00 72.44 C ATOM 649 NH1 ARG A 44 7.358 10.792 -11.402 1.00 30.10 N ATOM 650 NH2 ARG A 44 8.881 11.245 -13.057 1.00 54.54 N ATOM 0 H ARG A 44 3.633 8.596 -10.653 1.00 41.42 H new ATOM 0 HA ARG A 44 3.541 6.799 -12.986 1.00 11.21 H new ATOM 0 HB2 ARG A 44 5.477 6.904 -10.640 1.00 34.32 H new ATOM 0 HB3 ARG A 44 5.643 5.919 -12.080 1.00 34.32 H new ATOM 0 HG2 ARG A 44 5.982 7.868 -13.474 1.00 53.40 H new ATOM 0 HG3 ARG A 44 5.548 8.952 -12.168 1.00 53.40 H new ATOM 0 HD2 ARG A 44 7.526 8.233 -10.873 1.00 14.12 H new ATOM 0 HD3 ARG A 44 7.944 7.072 -12.118 1.00 14.12 H new ATOM 0 HE ARG A 44 8.866 8.781 -13.403 1.00 53.34 H new ATOM 0 HH11 ARG A 44 6.802 10.121 -10.871 1.00 30.10 H new ATOM 0 HH12 ARG A 44 7.298 11.787 -11.188 1.00 30.10 H new ATOM 0 HH21 ARG A 44 9.499 10.923 -13.802 1.00 54.54 H new ATOM 0 HH22 ARG A 44 8.818 12.240 -12.840 1.00 54.54 H new ATOM 664 N LEU A 45 1.936 6.130 -10.541 1.00 11.41 N ATOM 665 CA LEU A 45 1.185 5.150 -9.763 1.00 45.22 C ATOM 666 C LEU A 45 0.359 4.248 -10.674 1.00 51.45 C ATOM 667 O LEU A 45 0.373 3.026 -10.533 1.00 20.52 O ATOM 668 CB LEU A 45 0.272 5.857 -8.761 1.00 34.53 C ATOM 669 CG LEU A 45 -0.835 5.001 -8.142 1.00 5.45 C ATOM 670 CD1 LEU A 45 -0.238 3.893 -7.288 1.00 51.44 C ATOM 671 CD2 LEU A 45 -1.777 5.865 -7.316 1.00 15.04 C ATOM 0 H LEU A 45 1.511 7.057 -10.574 1.00 11.41 H new ATOM 0 HA LEU A 45 1.898 4.530 -9.220 1.00 45.22 H new ATOM 0 HB2 LEU A 45 0.889 6.255 -7.956 1.00 34.53 H new ATOM 0 HB3 LEU A 45 -0.191 6.709 -9.259 1.00 34.53 H new ATOM 0 HG LEU A 45 -1.407 4.542 -8.948 1.00 5.45 H new ATOM 0 HD11 LEU A 45 -1.040 3.294 -6.856 1.00 51.44 H new ATOM 0 HD12 LEU A 45 0.396 3.258 -7.907 1.00 51.44 H new ATOM 0 HD13 LEU A 45 0.359 4.332 -6.488 1.00 51.44 H new ATOM 0 HD21 LEU A 45 -2.558 5.240 -6.883 1.00 15.04 H new ATOM 0 HD22 LEU A 45 -1.218 6.352 -6.517 1.00 15.04 H new ATOM 0 HD23 LEU A 45 -2.231 6.622 -7.955 1.00 15.04 H new ATOM 683 N SER A 46 -0.359 4.861 -11.611 1.00 1.03 N ATOM 684 CA SER A 46 -1.193 4.114 -12.544 1.00 40.42 C ATOM 685 C SER A 46 -0.338 3.416 -13.597 1.00 40.24 C ATOM 686 O SER A 46 -0.799 2.499 -14.276 1.00 65.54 O ATOM 687 CB SER A 46 -2.198 5.048 -13.223 1.00 63.22 C ATOM 688 OG SER A 46 -2.800 4.421 -14.343 1.00 2.32 O ATOM 0 H SER A 46 -0.379 5.872 -11.743 1.00 1.03 H new ATOM 0 HA SER A 46 -1.736 3.355 -11.981 1.00 40.42 H new ATOM 0 HB2 SER A 46 -2.968 5.341 -12.509 1.00 63.22 H new ATOM 0 HB3 SER A 46 -1.694 5.961 -13.540 1.00 63.22 H new ATOM 0 HG SER A 46 -3.439 5.037 -14.759 1.00 2.32 H new ATOM 694 N GLU A 47 0.909 3.858 -13.727 1.00 12.51 N ATOM 695 CA GLU A 47 1.828 3.277 -14.698 1.00 62.42 C ATOM 696 C GLU A 47 2.532 2.054 -14.117 1.00 4.11 C ATOM 697 O GLU A 47 2.981 1.174 -14.850 1.00 53.54 O ATOM 698 CB GLU A 47 2.864 4.314 -15.139 1.00 15.24 C ATOM 699 CG GLU A 47 2.863 4.576 -16.635 1.00 43.34 C ATOM 700 CD GLU A 47 3.925 5.575 -17.052 1.00 53.31 C ATOM 701 OE1 GLU A 47 5.122 5.223 -17.007 1.00 62.21 O ATOM 702 OE2 GLU A 47 3.558 6.710 -17.425 1.00 30.13 O ATOM 0 H GLU A 47 1.306 4.616 -13.172 1.00 12.51 H new ATOM 0 HA GLU A 47 1.248 2.963 -15.566 1.00 62.42 H new ATOM 0 HB2 GLU A 47 2.674 5.250 -14.614 1.00 15.24 H new ATOM 0 HB3 GLU A 47 3.856 3.975 -14.839 1.00 15.24 H new ATOM 0 HG2 GLU A 47 3.024 3.637 -17.165 1.00 43.34 H new ATOM 0 HG3 GLU A 47 1.883 4.947 -16.935 1.00 43.34 H new ATOM 709 N VAL A 48 2.626 2.008 -12.792 1.00 22.14 N ATOM 710 CA VAL A 48 3.275 0.894 -12.109 1.00 73.10 C ATOM 711 C VAL A 48 2.246 -0.064 -11.519 1.00 13.24 C ATOM 712 O VAL A 48 2.535 -1.237 -11.285 1.00 3.52 O ATOM 713 CB VAL A 48 4.204 1.389 -10.986 1.00 12.15 C ATOM 714 CG1 VAL A 48 5.255 2.338 -11.540 1.00 63.22 C ATOM 715 CG2 VAL A 48 3.397 2.060 -9.884 1.00 73.12 C ATOM 0 H VAL A 48 2.261 2.729 -12.170 1.00 22.14 H new ATOM 0 HA VAL A 48 3.870 0.368 -12.856 1.00 73.10 H new ATOM 0 HB VAL A 48 4.717 0.528 -10.558 1.00 12.15 H new ATOM 0 HG11 VAL A 48 5.902 2.677 -10.731 1.00 63.22 H new ATOM 0 HG12 VAL A 48 5.853 1.821 -12.290 1.00 63.22 H new ATOM 0 HG13 VAL A 48 4.764 3.198 -11.997 1.00 63.22 H new ATOM 0 HG21 VAL A 48 4.070 2.404 -9.098 1.00 73.12 H new ATOM 0 HG22 VAL A 48 2.856 2.911 -10.296 1.00 73.12 H new ATOM 0 HG23 VAL A 48 2.687 1.346 -9.467 1.00 73.12 H new ATOM 725 N VAL A 49 1.040 0.445 -11.280 1.00 41.04 N ATOM 726 CA VAL A 49 -0.033 -0.365 -10.719 1.00 33.31 C ATOM 727 C VAL A 49 -0.220 -1.655 -11.509 1.00 22.15 C ATOM 728 O VAL A 49 -0.626 -2.680 -10.958 1.00 54.35 O ATOM 729 CB VAL A 49 -1.366 0.408 -10.696 1.00 61.41 C ATOM 730 CG1 VAL A 49 -1.872 0.640 -12.111 1.00 33.22 C ATOM 731 CG2 VAL A 49 -2.400 -0.339 -9.867 1.00 33.42 C ATOM 0 H VAL A 49 0.783 1.414 -11.467 1.00 41.04 H new ATOM 0 HA VAL A 49 0.256 -0.608 -9.697 1.00 33.31 H new ATOM 0 HB VAL A 49 -1.195 1.380 -10.233 1.00 61.41 H new ATOM 0 HG11 VAL A 49 -2.814 1.187 -12.075 1.00 33.22 H new ATOM 0 HG12 VAL A 49 -1.137 1.219 -12.670 1.00 33.22 H new ATOM 0 HG13 VAL A 49 -2.028 -0.320 -12.603 1.00 33.22 H new ATOM 0 HG21 VAL A 49 -3.335 0.221 -9.861 1.00 33.42 H new ATOM 0 HG22 VAL A 49 -2.570 -1.325 -10.300 1.00 33.42 H new ATOM 0 HG23 VAL A 49 -2.037 -0.449 -8.845 1.00 33.42 H new ATOM 741 N ASP A 50 0.080 -1.599 -12.802 1.00 22.34 N ATOM 742 CA ASP A 50 -0.053 -2.764 -13.669 1.00 73.33 C ATOM 743 C ASP A 50 0.940 -3.852 -13.273 1.00 21.32 C ATOM 744 O ASP A 50 0.624 -5.041 -13.319 1.00 60.42 O ATOM 745 CB ASP A 50 0.162 -2.366 -15.130 1.00 4.22 C ATOM 746 CG ASP A 50 -0.648 -3.217 -16.087 1.00 54.31 C ATOM 747 OD1 ASP A 50 -0.360 -4.427 -16.195 1.00 70.00 O ATOM 748 OD2 ASP A 50 -1.570 -2.673 -16.730 1.00 45.01 O ATOM 0 H ASP A 50 0.417 -0.759 -13.273 1.00 22.34 H new ATOM 0 HA ASP A 50 -1.062 -3.159 -13.553 1.00 73.33 H new ATOM 0 HB2 ASP A 50 -0.109 -1.318 -15.262 1.00 4.22 H new ATOM 0 HB3 ASP A 50 1.220 -2.455 -15.376 1.00 4.22 H new ATOM 753 N ARG A 51 2.142 -3.437 -12.886 1.00 2.31 N ATOM 754 CA ARG A 51 3.182 -4.376 -12.484 1.00 44.24 C ATOM 755 C ARG A 51 3.028 -4.763 -11.016 1.00 41.53 C ATOM 756 O ARG A 51 3.124 -5.937 -10.659 1.00 41.22 O ATOM 757 CB ARG A 51 4.566 -3.769 -12.720 1.00 62.02 C ATOM 758 CG ARG A 51 4.714 -3.097 -14.077 1.00 12.34 C ATOM 759 CD ARG A 51 4.580 -4.100 -15.212 1.00 14.15 C ATOM 760 NE ARG A 51 5.079 -3.564 -16.476 1.00 22.45 N ATOM 761 CZ ARG A 51 6.366 -3.531 -16.802 1.00 60.32 C ATOM 762 NH1 ARG A 51 7.279 -3.999 -15.963 1.00 31.34 N ATOM 763 NH2 ARG A 51 6.743 -3.029 -17.971 1.00 50.12 N ATOM 0 H ARG A 51 2.419 -2.456 -12.842 1.00 2.31 H new ATOM 0 HA ARG A 51 3.079 -5.275 -13.091 1.00 44.24 H new ATOM 0 HB2 ARG A 51 4.771 -3.038 -11.938 1.00 62.02 H new ATOM 0 HB3 ARG A 51 5.318 -4.553 -12.628 1.00 62.02 H new ATOM 0 HG2 ARG A 51 3.956 -2.321 -14.185 1.00 12.34 H new ATOM 0 HG3 ARG A 51 5.685 -2.605 -14.137 1.00 12.34 H new ATOM 0 HD2 ARG A 51 5.129 -5.008 -14.961 1.00 14.15 H new ATOM 0 HD3 ARG A 51 3.533 -4.382 -15.325 1.00 14.15 H new ATOM 0 HE ARG A 51 4.402 -3.195 -17.144 1.00 22.45 H new ATOM 0 HH11 ARG A 51 6.994 -4.386 -15.063 1.00 31.34 H new ATOM 0 HH12 ARG A 51 8.267 -3.972 -16.217 1.00 31.34 H new ATOM 0 HH21 ARG A 51 6.044 -2.668 -18.620 1.00 50.12 H new ATOM 0 HH22 ARG A 51 7.732 -3.004 -18.220 1.00 50.12 H new ATOM 777 N PHE A 52 2.790 -3.767 -10.169 1.00 51.02 N ATOM 778 CA PHE A 52 2.625 -4.003 -8.740 1.00 53.41 C ATOM 779 C PHE A 52 1.472 -4.968 -8.477 1.00 45.11 C ATOM 780 O PHE A 52 0.772 -5.380 -9.401 1.00 23.41 O ATOM 781 CB PHE A 52 2.375 -2.682 -8.009 1.00 50.31 C ATOM 782 CG PHE A 52 3.635 -1.957 -7.631 1.00 62.12 C ATOM 783 CD1 PHE A 52 4.360 -2.337 -6.513 1.00 70.42 C ATOM 784 CD2 PHE A 52 4.095 -0.896 -8.394 1.00 10.44 C ATOM 785 CE1 PHE A 52 5.520 -1.673 -6.163 1.00 72.44 C ATOM 786 CE2 PHE A 52 5.255 -0.228 -8.049 1.00 24.30 C ATOM 787 CZ PHE A 52 5.968 -0.617 -6.931 1.00 70.34 C ATOM 0 H PHE A 52 2.707 -2.789 -10.448 1.00 51.02 H new ATOM 0 HA PHE A 52 3.544 -4.451 -8.363 1.00 53.41 H new ATOM 0 HB2 PHE A 52 1.769 -2.034 -8.643 1.00 50.31 H new ATOM 0 HB3 PHE A 52 1.795 -2.879 -7.108 1.00 50.31 H new ATOM 0 HD1 PHE A 52 4.014 -3.162 -5.908 1.00 70.42 H new ATOM 0 HD2 PHE A 52 3.541 -0.587 -9.268 1.00 10.44 H new ATOM 0 HE1 PHE A 52 6.076 -1.980 -5.289 1.00 72.44 H new ATOM 0 HE2 PHE A 52 5.604 0.597 -8.653 1.00 24.30 H new ATOM 0 HZ PHE A 52 6.874 -0.096 -6.659 1.00 70.34 H new ATOM 797 N ASP A 53 1.283 -5.323 -7.211 1.00 71.24 N ATOM 798 CA ASP A 53 0.216 -6.239 -6.825 1.00 45.35 C ATOM 799 C ASP A 53 -0.861 -5.513 -6.026 1.00 62.10 C ATOM 800 O ASP A 53 -2.013 -5.428 -6.451 1.00 42.23 O ATOM 801 CB ASP A 53 0.783 -7.400 -6.006 1.00 12.33 C ATOM 802 CG ASP A 53 1.733 -8.265 -6.808 1.00 61.31 C ATOM 803 OD1 ASP A 53 1.273 -8.923 -7.766 1.00 0.31 O ATOM 804 OD2 ASP A 53 2.938 -8.286 -6.480 1.00 14.31 O ATOM 0 H ASP A 53 1.855 -4.990 -6.435 1.00 71.24 H new ATOM 0 HA ASP A 53 -0.237 -6.634 -7.734 1.00 45.35 H new ATOM 0 HB2 ASP A 53 1.304 -7.005 -5.134 1.00 12.33 H new ATOM 0 HB3 ASP A 53 -0.038 -8.014 -5.635 1.00 12.33 H new ATOM 809 N VAL A 54 -0.478 -4.993 -4.864 1.00 44.42 N ATOM 810 CA VAL A 54 -1.410 -4.273 -4.004 1.00 55.03 C ATOM 811 C VAL A 54 -1.107 -2.779 -3.991 1.00 64.44 C ATOM 812 O VAL A 54 0.049 -2.369 -4.098 1.00 20.02 O ATOM 813 CB VAL A 54 -1.368 -4.807 -2.560 1.00 13.35 C ATOM 814 CG1 VAL A 54 -2.476 -4.182 -1.726 1.00 41.45 C ATOM 815 CG2 VAL A 54 -1.474 -6.324 -2.550 1.00 75.31 C ATOM 0 H VAL A 54 0.471 -5.057 -4.497 1.00 44.42 H new ATOM 0 HA VAL A 54 -2.407 -4.434 -4.415 1.00 55.03 H new ATOM 0 HB VAL A 54 -0.412 -4.529 -2.117 1.00 13.35 H new ATOM 0 HG11 VAL A 54 -2.430 -4.572 -0.709 1.00 41.45 H new ATOM 0 HG12 VAL A 54 -2.350 -3.100 -1.706 1.00 41.45 H new ATOM 0 HG13 VAL A 54 -3.443 -4.426 -2.165 1.00 41.45 H new ATOM 0 HG21 VAL A 54 -1.443 -6.684 -1.522 1.00 75.31 H new ATOM 0 HG22 VAL A 54 -2.414 -6.626 -3.012 1.00 75.31 H new ATOM 0 HG23 VAL A 54 -0.641 -6.751 -3.109 1.00 75.31 H new ATOM 825 N VAL A 55 -2.153 -1.969 -3.860 1.00 63.43 N ATOM 826 CA VAL A 55 -1.999 -0.520 -3.832 1.00 43.22 C ATOM 827 C VAL A 55 -2.487 0.059 -2.509 1.00 54.21 C ATOM 828 O VAL A 55 -3.463 -0.422 -1.931 1.00 62.31 O ATOM 829 CB VAL A 55 -2.766 0.149 -4.987 1.00 74.34 C ATOM 830 CG1 VAL A 55 -2.627 1.662 -4.916 1.00 71.11 C ATOM 831 CG2 VAL A 55 -2.275 -0.377 -6.328 1.00 5.32 C ATOM 0 H VAL A 55 -3.116 -2.292 -3.772 1.00 63.43 H new ATOM 0 HA VAL A 55 -0.935 -0.313 -3.945 1.00 43.22 H new ATOM 0 HB VAL A 55 -3.823 -0.100 -4.889 1.00 74.34 H new ATOM 0 HG11 VAL A 55 -3.176 2.117 -5.741 1.00 71.11 H new ATOM 0 HG12 VAL A 55 -3.031 2.020 -3.969 1.00 71.11 H new ATOM 0 HG13 VAL A 55 -1.574 1.934 -4.987 1.00 71.11 H new ATOM 0 HG21 VAL A 55 -2.828 0.107 -7.133 1.00 5.32 H new ATOM 0 HG22 VAL A 55 -1.212 -0.161 -6.437 1.00 5.32 H new ATOM 0 HG23 VAL A 55 -2.433 -1.454 -6.376 1.00 5.32 H new ATOM 841 N LEU A 56 -1.805 1.095 -2.036 1.00 4.32 N ATOM 842 CA LEU A 56 -2.169 1.742 -0.779 1.00 61.25 C ATOM 843 C LEU A 56 -2.171 3.260 -0.930 1.00 24.14 C ATOM 844 O LEU A 56 -1.367 3.822 -1.673 1.00 65.14 O ATOM 845 CB LEU A 56 -1.201 1.328 0.330 1.00 53.44 C ATOM 846 CG LEU A 56 -1.433 -0.054 0.941 1.00 21.42 C ATOM 847 CD1 LEU A 56 -0.255 -0.971 0.648 1.00 34.13 C ATOM 848 CD2 LEU A 56 -1.663 0.058 2.441 1.00 31.31 C ATOM 0 H LEU A 56 -0.997 1.506 -2.503 1.00 4.32 H new ATOM 0 HA LEU A 56 -3.175 1.421 -0.511 1.00 61.25 H new ATOM 0 HB2 LEU A 56 -0.187 1.361 -0.069 1.00 53.44 H new ATOM 0 HB3 LEU A 56 -1.255 2.069 1.127 1.00 53.44 H new ATOM 0 HG LEU A 56 -2.325 -0.486 0.488 1.00 21.42 H new ATOM 0 HD11 LEU A 56 -0.437 -1.950 1.090 1.00 34.13 H new ATOM 0 HD12 LEU A 56 -0.135 -1.077 -0.430 1.00 34.13 H new ATOM 0 HD13 LEU A 56 0.653 -0.544 1.074 1.00 34.13 H new ATOM 0 HD21 LEU A 56 -1.826 -0.935 2.859 1.00 31.31 H new ATOM 0 HD22 LEU A 56 -0.789 0.510 2.910 1.00 31.31 H new ATOM 0 HD23 LEU A 56 -2.538 0.680 2.629 1.00 31.31 H new ATOM 860 N LEU A 57 -3.076 3.919 -0.215 1.00 12.11 N ATOM 861 CA LEU A 57 -3.181 5.373 -0.266 1.00 12.20 C ATOM 862 C LEU A 57 -3.128 5.972 1.135 1.00 10.21 C ATOM 863 O LEU A 57 -3.534 5.338 2.108 1.00 34.34 O ATOM 864 CB LEU A 57 -4.480 5.786 -0.961 1.00 1.41 C ATOM 865 CG LEU A 57 -4.859 7.263 -0.850 1.00 33.11 C ATOM 866 CD1 LEU A 57 -3.883 8.126 -1.633 1.00 2.10 C ATOM 867 CD2 LEU A 57 -6.283 7.486 -1.341 1.00 0.24 C ATOM 0 H LEU A 57 -3.748 3.469 0.407 1.00 12.11 H new ATOM 0 HA LEU A 57 -2.334 5.754 -0.836 1.00 12.20 H new ATOM 0 HB2 LEU A 57 -4.401 5.530 -2.018 1.00 1.41 H new ATOM 0 HB3 LEU A 57 -5.295 5.190 -0.549 1.00 1.41 H new ATOM 0 HG LEU A 57 -4.807 7.553 0.199 1.00 33.11 H new ATOM 0 HD11 LEU A 57 -4.170 9.174 -1.542 1.00 2.10 H new ATOM 0 HD12 LEU A 57 -2.877 7.989 -1.236 1.00 2.10 H new ATOM 0 HD13 LEU A 57 -3.902 7.835 -2.683 1.00 2.10 H new ATOM 0 HD21 LEU A 57 -6.536 8.543 -1.255 1.00 0.24 H new ATOM 0 HD22 LEU A 57 -6.361 7.178 -2.384 1.00 0.24 H new ATOM 0 HD23 LEU A 57 -6.973 6.897 -0.736 1.00 0.24 H new ATOM 879 N ALA A 58 -2.626 7.198 1.230 1.00 51.52 N ATOM 880 CA ALA A 58 -2.524 7.886 2.512 1.00 31.12 C ATOM 881 C ALA A 58 -3.642 8.909 2.677 1.00 21.31 C ATOM 882 O ALA A 58 -4.266 9.344 1.709 1.00 51.14 O ATOM 883 CB ALA A 58 -1.166 8.559 2.643 1.00 63.12 C ATOM 0 H ALA A 58 -2.283 7.736 0.434 1.00 51.52 H new ATOM 0 HA ALA A 58 -2.627 7.144 3.304 1.00 31.12 H new ATOM 0 HB1 ALA A 58 -1.104 9.069 3.604 1.00 63.12 H new ATOM 0 HB2 ALA A 58 -0.380 7.807 2.579 1.00 63.12 H new ATOM 0 HB3 ALA A 58 -1.040 9.284 1.839 1.00 63.12 H new ATOM 889 N PRO A 59 -3.903 9.303 3.932 1.00 12.24 N ATOM 890 CA PRO A 59 -4.949 10.280 4.253 1.00 45.23 C ATOM 891 C PRO A 59 -4.592 11.686 3.782 1.00 53.54 C ATOM 892 O PRO A 59 -3.591 11.884 3.092 1.00 32.33 O ATOM 893 CB PRO A 59 -5.022 10.232 5.781 1.00 42.22 C ATOM 894 CG PRO A 59 -3.674 9.763 6.211 1.00 50.12 C ATOM 895 CD PRO A 59 -3.199 8.827 5.134 1.00 34.42 C ATOM 0 HA PRO A 59 -5.892 10.045 3.760 1.00 45.23 H new ATOM 0 HB2 PRO A 59 -5.251 11.213 6.197 1.00 42.22 H new ATOM 0 HB3 PRO A 59 -5.804 9.552 6.119 1.00 42.22 H new ATOM 0 HG2 PRO A 59 -2.988 10.602 6.329 1.00 50.12 H new ATOM 0 HG3 PRO A 59 -3.726 9.255 7.174 1.00 50.12 H new ATOM 0 HD2 PRO A 59 -2.117 8.873 5.010 1.00 34.42 H new ATOM 0 HD3 PRO A 59 -3.450 7.791 5.363 1.00 34.42 H new ATOM 903 N GLN A 60 -5.417 12.659 4.156 1.00 30.34 N ATOM 904 CA GLN A 60 -5.188 14.046 3.771 1.00 1.21 C ATOM 905 C GLN A 60 -5.142 14.189 2.253 1.00 73.40 C ATOM 906 O GLN A 60 -4.196 14.748 1.700 1.00 20.43 O ATOM 907 CB GLN A 60 -3.882 14.558 4.383 1.00 50.45 C ATOM 908 CG GLN A 60 -3.906 16.042 4.713 1.00 54.12 C ATOM 909 CD GLN A 60 -3.616 16.913 3.506 1.00 71.23 C ATOM 910 OE1 GLN A 60 -2.517 16.880 2.953 1.00 42.24 O ATOM 911 NE2 GLN A 60 -4.603 17.699 3.091 1.00 13.05 N ATOM 0 H GLN A 60 -6.250 12.512 4.726 1.00 30.34 H new ATOM 0 HA GLN A 60 -6.017 14.644 4.149 1.00 1.21 H new ATOM 0 HB2 GLN A 60 -3.671 13.995 5.292 1.00 50.45 H new ATOM 0 HB3 GLN A 60 -3.064 14.361 3.690 1.00 50.45 H new ATOM 0 HG2 GLN A 60 -4.883 16.304 5.119 1.00 54.12 H new ATOM 0 HG3 GLN A 60 -3.171 16.249 5.491 1.00 54.12 H new ATOM 0 HE21 GLN A 60 -5.498 17.694 3.580 1.00 13.05 H new ATOM 0 HE22 GLN A 60 -4.466 18.307 2.284 1.00 13.05 H new ATOM 920 N SER A 61 -6.173 13.679 1.585 1.00 20.13 N ATOM 921 CA SER A 61 -6.249 13.745 0.130 1.00 1.41 C ATOM 922 C SER A 61 -7.588 13.212 -0.369 1.00 32.32 C ATOM 923 O SER A 61 -7.885 12.024 -0.235 1.00 43.43 O ATOM 924 CB SER A 61 -5.104 12.949 -0.498 1.00 62.34 C ATOM 925 OG SER A 61 -5.332 11.555 -0.390 1.00 70.31 O ATOM 0 H SER A 61 -6.966 13.216 2.028 1.00 20.13 H new ATOM 0 HA SER A 61 -6.161 14.790 -0.167 1.00 1.41 H new ATOM 0 HB2 SER A 61 -4.999 13.223 -1.548 1.00 62.34 H new ATOM 0 HB3 SER A 61 -4.166 13.206 -0.006 1.00 62.34 H new ATOM 0 HG SER A 61 -6.216 11.398 0.004 1.00 70.31 H new ATOM 931 N ARG A 62 -8.394 14.099 -0.944 1.00 1.41 N ATOM 932 CA ARG A 62 -9.702 13.719 -1.462 1.00 13.44 C ATOM 933 C ARG A 62 -9.609 13.317 -2.931 1.00 33.11 C ATOM 934 O ARG A 62 -10.207 12.327 -3.353 1.00 33.44 O ATOM 935 CB ARG A 62 -10.694 14.874 -1.300 1.00 23.32 C ATOM 936 CG ARG A 62 -10.843 15.351 0.136 1.00 50.41 C ATOM 937 CD ARG A 62 -11.155 16.839 0.198 1.00 20.41 C ATOM 938 NE ARG A 62 -10.588 17.466 1.390 1.00 54.23 N ATOM 939 CZ ARG A 62 -10.570 18.779 1.590 1.00 61.33 C ATOM 940 NH1 ARG A 62 -11.085 19.599 0.683 1.00 64.35 N ATOM 941 NH2 ARG A 62 -10.037 19.274 2.699 1.00 11.32 N ATOM 0 H ARG A 62 -8.164 15.086 -1.063 1.00 1.41 H new ATOM 0 HA ARG A 62 -10.056 12.862 -0.890 1.00 13.44 H new ATOM 0 HB2 ARG A 62 -10.370 15.710 -1.920 1.00 23.32 H new ATOM 0 HB3 ARG A 62 -11.669 14.560 -1.673 1.00 23.32 H new ATOM 0 HG2 ARG A 62 -11.639 14.790 0.626 1.00 50.41 H new ATOM 0 HG3 ARG A 62 -9.924 15.147 0.686 1.00 50.41 H new ATOM 0 HD2 ARG A 62 -10.762 17.330 -0.692 1.00 20.41 H new ATOM 0 HD3 ARG A 62 -12.235 16.984 0.191 1.00 20.41 H new ATOM 0 HE ARG A 62 -10.184 16.863 2.107 1.00 54.23 H new ATOM 0 HH11 ARG A 62 -11.496 19.222 -0.171 1.00 64.35 H new ATOM 0 HH12 ARG A 62 -11.070 20.607 0.839 1.00 64.35 H new ATOM 0 HH21 ARG A 62 -9.641 18.646 3.399 1.00 11.32 H new ATOM 0 HH22 ARG A 62 -10.023 20.282 2.852 1.00 11.32 H new ATOM 955 N PHE A 63 -8.856 14.092 -3.704 1.00 71.33 N ATOM 956 CA PHE A 63 -8.687 13.817 -5.126 1.00 65.23 C ATOM 957 C PHE A 63 -7.993 12.475 -5.342 1.00 44.03 C ATOM 958 O PHE A 63 -8.316 11.739 -6.274 1.00 13.55 O ATOM 959 CB PHE A 63 -7.879 14.934 -5.791 1.00 25.44 C ATOM 960 CG PHE A 63 -6.481 15.062 -5.255 1.00 51.23 C ATOM 961 CD1 PHE A 63 -6.215 15.873 -4.164 1.00 21.42 C ATOM 962 CD2 PHE A 63 -5.434 14.373 -5.845 1.00 20.33 C ATOM 963 CE1 PHE A 63 -4.930 15.993 -3.669 1.00 24.32 C ATOM 964 CE2 PHE A 63 -4.147 14.488 -5.354 1.00 11.32 C ATOM 965 CZ PHE A 63 -3.895 15.300 -4.265 1.00 63.34 C ATOM 0 H PHE A 63 -8.354 14.915 -3.370 1.00 71.33 H new ATOM 0 HA PHE A 63 -9.676 13.772 -5.582 1.00 65.23 H new ATOM 0 HB2 PHE A 63 -7.833 14.749 -6.864 1.00 25.44 H new ATOM 0 HB3 PHE A 63 -8.401 15.881 -5.653 1.00 25.44 H new ATOM 0 HD1 PHE A 63 -7.021 16.418 -3.695 1.00 21.42 H new ATOM 0 HD2 PHE A 63 -5.625 13.739 -6.698 1.00 20.33 H new ATOM 0 HE1 PHE A 63 -4.736 16.628 -2.817 1.00 24.32 H new ATOM 0 HE2 PHE A 63 -3.339 13.944 -5.821 1.00 11.32 H new ATOM 0 HZ PHE A 63 -2.890 15.393 -3.880 1.00 63.34 H new ATOM 975 N ASN A 64 -7.036 12.164 -4.474 1.00 52.01 N ATOM 976 CA ASN A 64 -6.295 10.912 -4.569 1.00 23.34 C ATOM 977 C ASN A 64 -7.234 9.714 -4.459 1.00 3.52 C ATOM 978 O ASN A 64 -7.364 8.925 -5.395 1.00 24.43 O ATOM 979 CB ASN A 64 -5.229 10.841 -3.474 1.00 1.11 C ATOM 980 CG ASN A 64 -3.832 10.663 -4.036 1.00 72.21 C ATOM 981 OD1 ASN A 64 -3.660 9.656 -4.886 1.00 74.44 O flip ATOM 982 ND2 ASN A 64 -2.918 11.421 -3.711 1.00 14.13 N flip ATOM 0 H ASN A 64 -6.755 12.762 -3.697 1.00 52.01 H new ATOM 0 HA ASN A 64 -5.808 10.881 -5.543 1.00 23.34 H new ATOM 0 HB2 ASN A 64 -5.264 11.753 -2.877 1.00 1.11 H new ATOM 0 HB3 ASN A 64 -5.456 10.012 -2.803 1.00 1.11 H new ATOM 0 HD21 ASN A 64 -3.095 12.182 -3.055 1.00 14.13 H new ATOM 0 HD22 ASN A 64 -1.984 11.289 -4.098 1.00 14.13 H new ATOM 989 N LYS A 65 -7.886 9.585 -3.309 1.00 21.44 N ATOM 990 CA LYS A 65 -8.814 8.486 -3.075 1.00 13.22 C ATOM 991 C LYS A 65 -9.839 8.390 -4.200 1.00 44.25 C ATOM 992 O LYS A 65 -10.141 7.301 -4.688 1.00 72.41 O ATOM 993 CB LYS A 65 -9.530 8.672 -1.735 1.00 22.11 C ATOM 994 CG LYS A 65 -10.175 10.038 -1.573 1.00 73.45 C ATOM 995 CD LYS A 65 -10.736 10.228 -0.175 1.00 71.32 C ATOM 996 CE LYS A 65 -12.256 10.177 -0.172 1.00 11.42 C ATOM 997 NZ LYS A 65 -12.770 8.909 -0.759 1.00 24.31 N ATOM 0 H LYS A 65 -7.789 10.229 -2.524 1.00 21.44 H new ATOM 0 HA LYS A 65 -8.240 7.559 -3.049 1.00 13.22 H new ATOM 0 HB2 LYS A 65 -10.296 7.904 -1.633 1.00 22.11 H new ATOM 0 HB3 LYS A 65 -8.815 8.519 -0.927 1.00 22.11 H new ATOM 0 HG2 LYS A 65 -9.439 10.815 -1.779 1.00 73.45 H new ATOM 0 HG3 LYS A 65 -10.974 10.153 -2.305 1.00 73.45 H new ATOM 0 HD2 LYS A 65 -10.344 9.453 0.484 1.00 71.32 H new ATOM 0 HD3 LYS A 65 -10.402 11.186 0.225 1.00 71.32 H new ATOM 0 HE2 LYS A 65 -12.621 10.278 0.850 1.00 11.42 H new ATOM 0 HE3 LYS A 65 -12.649 11.023 -0.735 1.00 11.42 H new ATOM 0 HZ1 LYS A 65 -13.760 8.770 -0.472 1.00 24.31 H new ATOM 0 HZ2 LYS A 65 -12.714 8.959 -1.796 1.00 24.31 H new ATOM 0 HZ3 LYS A 65 -12.196 8.111 -0.419 1.00 24.31 H new ATOM 1011 N LYS A 66 -10.369 9.536 -4.611 1.00 14.44 N ATOM 1012 CA LYS A 66 -11.358 9.583 -5.682 1.00 1.34 C ATOM 1013 C LYS A 66 -10.830 8.901 -6.939 1.00 62.13 C ATOM 1014 O LYS A 66 -11.385 7.900 -7.394 1.00 1.23 O ATOM 1015 CB LYS A 66 -11.734 11.034 -5.994 1.00 31.10 C ATOM 1016 CG LYS A 66 -13.073 11.177 -6.697 1.00 30.03 C ATOM 1017 CD LYS A 66 -13.581 12.608 -6.640 1.00 72.51 C ATOM 1018 CE LYS A 66 -15.101 12.660 -6.659 1.00 60.12 C ATOM 1019 NZ LYS A 66 -15.689 12.182 -5.378 1.00 25.42 N ATOM 0 H LYS A 66 -10.130 10.447 -4.218 1.00 14.44 H new ATOM 0 HA LYS A 66 -12.247 9.049 -5.346 1.00 1.34 H new ATOM 0 HB2 LYS A 66 -11.759 11.602 -5.064 1.00 31.10 H new ATOM 0 HB3 LYS A 66 -10.957 11.476 -6.617 1.00 31.10 H new ATOM 0 HG2 LYS A 66 -12.974 10.866 -7.737 1.00 30.03 H new ATOM 0 HG3 LYS A 66 -13.802 10.512 -6.233 1.00 30.03 H new ATOM 0 HD2 LYS A 66 -13.210 13.091 -5.736 1.00 72.51 H new ATOM 0 HD3 LYS A 66 -13.186 13.170 -7.486 1.00 72.51 H new ATOM 0 HE2 LYS A 66 -15.427 13.683 -6.849 1.00 60.12 H new ATOM 0 HE3 LYS A 66 -15.475 12.049 -7.480 1.00 60.12 H new ATOM 0 HZ1 LYS A 66 -16.674 12.508 -5.305 1.00 25.42 H new ATOM 0 HZ2 LYS A 66 -15.665 11.143 -5.352 1.00 25.42 H new ATOM 0 HZ3 LYS A 66 -15.139 12.561 -4.581 1.00 25.42 H new ATOM 1033 N ARG A 67 -9.755 9.449 -7.497 1.00 22.11 N ATOM 1034 CA ARG A 67 -9.152 8.893 -8.702 1.00 40.04 C ATOM 1035 C ARG A 67 -8.780 7.427 -8.497 1.00 52.45 C ATOM 1036 O ARG A 67 -9.211 6.554 -9.253 1.00 51.20 O ATOM 1037 CB ARG A 67 -7.910 9.695 -9.094 1.00 73.05 C ATOM 1038 CG ARG A 67 -8.170 10.725 -10.182 1.00 4.43 C ATOM 1039 CD ARG A 67 -6.882 11.406 -10.622 1.00 72.10 C ATOM 1040 NE ARG A 67 -6.459 10.970 -11.949 1.00 72.12 N ATOM 1041 CZ ARG A 67 -7.115 11.268 -13.065 1.00 12.33 C ATOM 1042 NH1 ARG A 67 -8.219 12.000 -13.013 1.00 12.41 N ATOM 1043 NH2 ARG A 67 -6.668 10.835 -14.236 1.00 65.54 N ATOM 0 H ARG A 67 -9.284 10.278 -7.133 1.00 22.11 H new ATOM 0 HA ARG A 67 -9.885 8.955 -9.506 1.00 40.04 H new ATOM 0 HB2 ARG A 67 -7.521 10.202 -8.211 1.00 73.05 H new ATOM 0 HB3 ARG A 67 -7.136 9.007 -9.434 1.00 73.05 H new ATOM 0 HG2 ARG A 67 -8.638 10.241 -11.039 1.00 4.43 H new ATOM 0 HG3 ARG A 67 -8.872 11.474 -9.816 1.00 4.43 H new ATOM 0 HD2 ARG A 67 -7.026 12.487 -10.624 1.00 72.10 H new ATOM 0 HD3 ARG A 67 -6.093 11.191 -9.901 1.00 72.10 H new ATOM 0 HE ARG A 67 -5.613 10.405 -12.024 1.00 72.12 H new ATOM 0 HH11 ARG A 67 -8.566 12.336 -12.115 1.00 12.41 H new ATOM 0 HH12 ARG A 67 -8.721 12.228 -13.871 1.00 12.41 H new ATOM 0 HH21 ARG A 67 -5.819 10.272 -14.281 1.00 65.54 H new ATOM 0 HH22 ARG A 67 -7.173 11.065 -15.092 1.00 65.54 H new ATOM 1057 N LEU A 68 -7.978 7.164 -7.472 1.00 65.55 N ATOM 1058 CA LEU A 68 -7.547 5.804 -7.168 1.00 32.21 C ATOM 1059 C LEU A 68 -8.740 4.857 -7.096 1.00 73.32 C ATOM 1060 O LEU A 68 -8.636 3.683 -7.451 1.00 40.13 O ATOM 1061 CB LEU A 68 -6.779 5.775 -5.845 1.00 73.24 C ATOM 1062 CG LEU A 68 -5.263 5.947 -5.945 1.00 52.01 C ATOM 1063 CD1 LEU A 68 -4.919 7.199 -6.736 1.00 10.41 C ATOM 1064 CD2 LEU A 68 -4.640 6.003 -4.558 1.00 32.21 C ATOM 0 H LEU A 68 -7.613 7.874 -6.837 1.00 65.55 H new ATOM 0 HA LEU A 68 -6.890 5.470 -7.971 1.00 32.21 H new ATOM 0 HB2 LEU A 68 -7.172 6.563 -5.202 1.00 73.24 H new ATOM 0 HB3 LEU A 68 -6.985 4.826 -5.349 1.00 73.24 H new ATOM 0 HG LEU A 68 -4.853 5.085 -6.471 1.00 52.01 H new ATOM 0 HD11 LEU A 68 -3.836 7.305 -6.797 1.00 10.41 H new ATOM 0 HD12 LEU A 68 -5.333 7.119 -7.741 1.00 10.41 H new ATOM 0 HD13 LEU A 68 -5.342 8.072 -6.238 1.00 10.41 H new ATOM 0 HD21 LEU A 68 -3.561 6.126 -4.649 1.00 32.21 H new ATOM 0 HD22 LEU A 68 -5.056 6.846 -4.006 1.00 32.21 H new ATOM 0 HD23 LEU A 68 -4.856 5.078 -4.024 1.00 32.21 H new ATOM 1076 N GLU A 69 -9.875 5.377 -6.638 1.00 63.22 N ATOM 1077 CA GLU A 69 -11.089 4.577 -6.522 1.00 41.34 C ATOM 1078 C GLU A 69 -11.656 4.246 -7.900 1.00 3.15 C ATOM 1079 O GLU A 69 -11.826 3.078 -8.247 1.00 53.13 O ATOM 1080 CB GLU A 69 -12.138 5.320 -5.692 1.00 32.21 C ATOM 1081 CG GLU A 69 -12.133 4.936 -4.221 1.00 53.04 C ATOM 1082 CD GLU A 69 -12.897 3.654 -3.950 1.00 41.44 C ATOM 1083 OE1 GLU A 69 -12.353 2.569 -4.240 1.00 73.45 O ATOM 1084 OE2 GLU A 69 -14.038 3.738 -3.449 1.00 44.14 O ATOM 0 H GLU A 69 -9.979 6.347 -6.342 1.00 63.22 H new ATOM 0 HA GLU A 69 -10.833 3.644 -6.020 1.00 41.34 H new ATOM 0 HB2 GLU A 69 -11.965 6.393 -5.780 1.00 32.21 H new ATOM 0 HB3 GLU A 69 -13.126 5.121 -6.108 1.00 32.21 H new ATOM 0 HG2 GLU A 69 -11.103 4.819 -3.883 1.00 53.04 H new ATOM 0 HG3 GLU A 69 -12.570 5.746 -3.637 1.00 53.04 H new ATOM 1091 N GLU A 70 -11.946 5.284 -8.679 1.00 15.03 N ATOM 1092 CA GLU A 70 -12.495 5.103 -10.018 1.00 33.24 C ATOM 1093 C GLU A 70 -11.535 4.306 -10.896 1.00 51.12 C ATOM 1094 O GLU A 70 -11.929 3.759 -11.927 1.00 2.53 O ATOM 1095 CB GLU A 70 -12.787 6.461 -10.661 1.00 25.33 C ATOM 1096 CG GLU A 70 -11.591 7.399 -10.669 1.00 74.31 C ATOM 1097 CD GLU A 70 -11.922 8.759 -11.252 1.00 42.21 C ATOM 1098 OE1 GLU A 70 -12.961 9.334 -10.865 1.00 10.42 O ATOM 1099 OE2 GLU A 70 -11.140 9.248 -12.094 1.00 51.23 O ATOM 0 H GLU A 70 -11.810 6.257 -8.406 1.00 15.03 H new ATOM 0 HA GLU A 70 -13.427 4.544 -9.929 1.00 33.24 H new ATOM 0 HB2 GLU A 70 -13.122 6.304 -11.686 1.00 25.33 H new ATOM 0 HB3 GLU A 70 -13.609 6.938 -10.127 1.00 25.33 H new ATOM 0 HG2 GLU A 70 -11.225 7.524 -9.650 1.00 74.31 H new ATOM 0 HG3 GLU A 70 -10.783 6.947 -11.245 1.00 74.31 H new ATOM 1106 N ILE A 71 -10.275 4.246 -10.481 1.00 25.10 N ATOM 1107 CA ILE A 71 -9.258 3.517 -11.230 1.00 11.24 C ATOM 1108 C ILE A 71 -9.134 2.080 -10.733 1.00 55.43 C ATOM 1109 O ILE A 71 -8.913 1.157 -11.516 1.00 62.15 O ATOM 1110 CB ILE A 71 -7.883 4.203 -11.128 1.00 34.32 C ATOM 1111 CG1 ILE A 71 -7.955 5.625 -11.688 1.00 72.54 C ATOM 1112 CG2 ILE A 71 -6.830 3.390 -11.865 1.00 1.00 C ATOM 1113 CD1 ILE A 71 -6.926 6.561 -11.097 1.00 1.02 C ATOM 0 H ILE A 71 -9.933 4.693 -9.630 1.00 25.10 H new ATOM 0 HA ILE A 71 -9.577 3.513 -12.272 1.00 11.24 H new ATOM 0 HB ILE A 71 -7.599 4.261 -10.077 1.00 34.32 H new ATOM 0 HG12 ILE A 71 -7.822 5.588 -12.769 1.00 72.54 H new ATOM 0 HG13 ILE A 71 -8.950 6.029 -11.503 1.00 72.54 H new ATOM 0 HG21 ILE A 71 -5.864 3.888 -11.784 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -6.764 2.395 -11.424 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -7.107 3.304 -12.916 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -7.037 7.550 -11.541 1.00 1.02 H new ATOM 0 HD12 ILE A 71 -7.072 6.628 -10.019 1.00 1.02 H new ATOM 0 HD13 ILE A 71 -5.926 6.180 -11.305 1.00 1.02 H new ATOM 1125 N THR A 72 -9.283 1.898 -9.424 1.00 62.52 N ATOM 1126 CA THR A 72 -9.189 0.573 -8.822 1.00 54.22 C ATOM 1127 C THR A 72 -10.362 -0.306 -9.242 1.00 1.44 C ATOM 1128 O THR A 72 -10.205 -1.508 -9.455 1.00 2.30 O ATOM 1129 CB THR A 72 -9.150 0.657 -7.284 1.00 44.04 C ATOM 1130 OG1 THR A 72 -10.086 1.637 -6.823 1.00 72.03 O ATOM 1131 CG2 THR A 72 -7.754 1.014 -6.798 1.00 43.31 C ATOM 0 H THR A 72 -9.469 2.651 -8.761 1.00 62.52 H new ATOM 0 HA THR A 72 -8.260 0.129 -9.178 1.00 54.22 H new ATOM 0 HB THR A 72 -9.420 -0.319 -6.881 1.00 44.04 H new ATOM 0 HG1 THR A 72 -10.723 1.843 -7.539 1.00 72.03 H new ATOM 0 HG21 THR A 72 -7.750 1.068 -5.709 1.00 43.31 H new ATOM 0 HG22 THR A 72 -7.048 0.251 -7.126 1.00 43.31 H new ATOM 0 HG23 THR A 72 -7.461 1.980 -7.210 1.00 43.31 H new ATOM 1139 N LYS A 73 -11.538 0.301 -9.360 1.00 4.53 N ATOM 1140 CA LYS A 73 -12.738 -0.426 -9.756 1.00 43.45 C ATOM 1141 C LYS A 73 -12.485 -1.248 -11.016 1.00 51.34 C ATOM 1142 O LYS A 73 -12.591 -2.474 -11.018 1.00 2.00 O ATOM 1143 CB LYS A 73 -13.893 0.549 -9.994 1.00 75.30 C ATOM 1144 CG LYS A 73 -14.906 0.579 -8.862 1.00 71.53 C ATOM 1145 CD LYS A 73 -15.665 -0.734 -8.759 1.00 51.41 C ATOM 1146 CE LYS A 73 -17.168 -0.506 -8.702 1.00 12.32 C ATOM 1147 NZ LYS A 73 -17.928 -1.684 -9.202 1.00 63.54 N ATOM 0 H LYS A 73 -11.686 1.295 -9.187 1.00 4.53 H new ATOM 0 HA LYS A 73 -13.005 -1.106 -8.947 1.00 43.45 H new ATOM 0 HB2 LYS A 73 -13.488 1.551 -10.135 1.00 75.30 H new ATOM 0 HB3 LYS A 73 -14.402 0.278 -10.919 1.00 75.30 H new ATOM 0 HG2 LYS A 73 -14.395 0.780 -7.920 1.00 71.53 H new ATOM 0 HG3 LYS A 73 -15.610 1.396 -9.024 1.00 71.53 H new ATOM 0 HD2 LYS A 73 -15.424 -1.363 -9.616 1.00 51.41 H new ATOM 0 HD3 LYS A 73 -15.344 -1.272 -7.867 1.00 51.41 H new ATOM 0 HE2 LYS A 73 -17.464 -0.292 -7.675 1.00 12.32 H new ATOM 0 HE3 LYS A 73 -17.425 0.371 -9.297 1.00 12.32 H new ATOM 0 HZ1 LYS A 73 -18.948 -1.488 -9.147 1.00 63.54 H new ATOM 0 HZ2 LYS A 73 -17.665 -1.873 -10.190 1.00 63.54 H new ATOM 0 HZ3 LYS A 73 -17.703 -2.515 -8.619 1.00 63.54 H new ATOM 1161 N PRO A 74 -12.141 -0.558 -12.114 1.00 63.15 N ATOM 1162 CA PRO A 74 -11.863 -1.205 -13.401 1.00 0.34 C ATOM 1163 C PRO A 74 -10.567 -2.007 -13.379 1.00 20.11 C ATOM 1164 O PRO A 74 -10.473 -3.073 -13.987 1.00 32.33 O ATOM 1165 CB PRO A 74 -11.747 -0.027 -14.372 1.00 74.22 C ATOM 1166 CG PRO A 74 -11.343 1.127 -13.521 1.00 43.03 C ATOM 1167 CD PRO A 74 -11.996 0.905 -12.185 1.00 43.23 C ATOM 0 HA PRO A 74 -12.637 -1.924 -13.671 1.00 0.34 H new ATOM 0 HB2 PRO A 74 -11.007 -0.225 -15.148 1.00 74.22 H new ATOM 0 HB3 PRO A 74 -12.694 0.165 -14.876 1.00 74.22 H new ATOM 0 HG2 PRO A 74 -10.259 1.178 -13.422 1.00 43.03 H new ATOM 0 HG3 PRO A 74 -11.667 2.070 -13.962 1.00 43.03 H new ATOM 0 HD2 PRO A 74 -11.382 1.288 -11.369 1.00 43.23 H new ATOM 0 HD3 PRO A 74 -12.961 1.408 -12.121 1.00 43.23 H new ATOM 1175 N LYS A 75 -9.567 -1.488 -12.673 1.00 13.42 N ATOM 1176 CA LYS A 75 -8.275 -2.156 -12.570 1.00 14.31 C ATOM 1177 C LYS A 75 -8.410 -3.490 -11.843 1.00 63.42 C ATOM 1178 O LYS A 75 -7.586 -4.387 -12.015 1.00 21.42 O ATOM 1179 CB LYS A 75 -7.274 -1.262 -11.836 1.00 23.22 C ATOM 1180 CG LYS A 75 -6.651 -0.194 -12.718 1.00 65.22 C ATOM 1181 CD LYS A 75 -5.406 -0.709 -13.421 1.00 64.31 C ATOM 1182 CE LYS A 75 -4.968 0.228 -14.537 1.00 73.44 C ATOM 1183 NZ LYS A 75 -5.841 0.107 -15.737 1.00 43.15 N ATOM 0 H LYS A 75 -9.627 -0.606 -12.164 1.00 13.42 H new ATOM 0 HA LYS A 75 -7.910 -2.347 -13.579 1.00 14.31 H new ATOM 0 HB2 LYS A 75 -7.777 -0.781 -10.997 1.00 23.22 H new ATOM 0 HB3 LYS A 75 -6.482 -1.884 -11.419 1.00 23.22 H new ATOM 0 HG2 LYS A 75 -7.378 0.137 -13.459 1.00 65.22 H new ATOM 0 HG3 LYS A 75 -6.395 0.676 -12.113 1.00 65.22 H new ATOM 0 HD2 LYS A 75 -4.598 -0.818 -12.698 1.00 64.31 H new ATOM 0 HD3 LYS A 75 -5.602 -1.699 -13.832 1.00 64.31 H new ATOM 0 HE2 LYS A 75 -4.987 1.256 -14.176 1.00 73.44 H new ATOM 0 HE3 LYS A 75 -3.937 0.006 -14.814 1.00 73.44 H new ATOM 0 HZ1 LYS A 75 -5.433 0.657 -16.520 1.00 43.15 H new ATOM 0 HZ2 LYS A 75 -5.911 -0.892 -16.016 1.00 43.15 H new ATOM 0 HZ3 LYS A 75 -6.789 0.472 -15.515 1.00 43.15 H new ATOM 1197 N GLY A 76 -9.455 -3.614 -11.030 1.00 70.32 N ATOM 1198 CA GLY A 76 -9.678 -4.844 -10.291 1.00 51.44 C ATOM 1199 C GLY A 76 -8.464 -5.266 -9.490 1.00 20.21 C ATOM 1200 O GLY A 76 -7.886 -6.325 -9.738 1.00 42.10 O ATOM 0 H GLY A 76 -10.151 -2.885 -10.870 1.00 70.32 H new ATOM 0 HA2 GLY A 76 -10.525 -4.712 -9.618 1.00 51.44 H new ATOM 0 HA3 GLY A 76 -9.945 -5.639 -10.987 1.00 51.44 H new ATOM 1204 N ILE A 77 -8.074 -4.438 -8.527 1.00 13.32 N ATOM 1205 CA ILE A 77 -6.920 -4.731 -7.686 1.00 73.51 C ATOM 1206 C ILE A 77 -7.191 -4.362 -6.232 1.00 1.21 C ATOM 1207 O ILE A 77 -8.007 -3.493 -5.928 1.00 13.30 O ATOM 1208 CB ILE A 77 -5.666 -3.982 -8.171 1.00 13.22 C ATOM 1209 CG1 ILE A 77 -5.964 -2.488 -8.320 1.00 24.52 C ATOM 1210 CG2 ILE A 77 -5.176 -4.564 -9.489 1.00 10.15 C ATOM 1211 CD1 ILE A 77 -5.089 -1.609 -7.454 1.00 53.44 C ATOM 0 H ILE A 77 -8.541 -3.558 -8.310 1.00 13.32 H new ATOM 0 HA ILE A 77 -6.742 -5.804 -7.757 1.00 73.51 H new ATOM 0 HB ILE A 77 -4.878 -4.105 -7.428 1.00 13.22 H new ATOM 0 HG12 ILE A 77 -5.833 -2.202 -9.364 1.00 24.52 H new ATOM 0 HG13 ILE A 77 -7.009 -2.307 -8.069 1.00 24.52 H new ATOM 0 HG21 ILE A 77 -4.289 -4.023 -9.818 1.00 10.15 H new ATOM 0 HG22 ILE A 77 -4.929 -5.617 -9.352 1.00 10.15 H new ATOM 0 HG23 ILE A 77 -5.959 -4.469 -10.242 1.00 10.15 H new ATOM 0 HD11 ILE A 77 -5.355 -0.564 -7.611 1.00 53.44 H new ATOM 0 HD12 ILE A 77 -5.237 -1.868 -6.406 1.00 53.44 H new ATOM 0 HD13 ILE A 77 -4.043 -1.761 -7.721 1.00 53.44 H new ATOM 1223 N PRO A 78 -6.487 -5.035 -5.310 1.00 21.24 N ATOM 1224 CA PRO A 78 -6.632 -4.793 -3.871 1.00 33.43 C ATOM 1225 C PRO A 78 -6.071 -3.438 -3.452 1.00 65.52 C ATOM 1226 O PRO A 78 -4.862 -3.213 -3.509 1.00 63.15 O ATOM 1227 CB PRO A 78 -5.822 -5.927 -3.237 1.00 44.45 C ATOM 1228 CG PRO A 78 -4.821 -6.302 -4.275 1.00 24.44 C ATOM 1229 CD PRO A 78 -5.496 -6.085 -5.600 1.00 24.02 C ATOM 0 HA PRO A 78 -7.678 -4.775 -3.564 1.00 33.43 H new ATOM 0 HB2 PRO A 78 -5.336 -5.601 -2.318 1.00 44.45 H new ATOM 0 HB3 PRO A 78 -6.460 -6.772 -2.978 1.00 44.45 H new ATOM 0 HG2 PRO A 78 -3.923 -5.690 -4.190 1.00 24.44 H new ATOM 0 HG3 PRO A 78 -4.511 -7.341 -4.161 1.00 24.44 H new ATOM 0 HD2 PRO A 78 -4.787 -5.768 -6.365 1.00 24.02 H new ATOM 0 HD3 PRO A 78 -5.971 -6.996 -5.963 1.00 24.02 H new ATOM 1237 N ILE A 79 -6.956 -2.542 -3.031 1.00 41.25 N ATOM 1238 CA ILE A 79 -6.547 -1.210 -2.601 1.00 2.41 C ATOM 1239 C ILE A 79 -6.837 -0.997 -1.119 1.00 73.44 C ATOM 1240 O ILE A 79 -7.923 -1.317 -0.638 1.00 12.41 O ATOM 1241 CB ILE A 79 -7.259 -0.113 -3.414 1.00 41.41 C ATOM 1242 CG1 ILE A 79 -6.861 1.273 -2.900 1.00 51.12 C ATOM 1243 CG2 ILE A 79 -8.767 -0.296 -3.345 1.00 33.35 C ATOM 1244 CD1 ILE A 79 -5.375 1.542 -2.976 1.00 75.30 C ATOM 0 H ILE A 79 -7.960 -2.713 -2.978 1.00 41.25 H new ATOM 0 HA ILE A 79 -5.473 -1.139 -2.772 1.00 2.41 H new ATOM 0 HB ILE A 79 -6.950 -0.196 -4.456 1.00 41.41 H new ATOM 0 HG12 ILE A 79 -7.389 2.031 -3.478 1.00 51.12 H new ATOM 0 HG13 ILE A 79 -7.188 1.376 -1.865 1.00 51.12 H new ATOM 0 HG21 ILE A 79 -9.255 0.487 -3.925 1.00 33.35 H new ATOM 0 HG22 ILE A 79 -9.034 -1.270 -3.754 1.00 33.35 H new ATOM 0 HG23 ILE A 79 -9.094 -0.236 -2.307 1.00 33.35 H new ATOM 0 HD11 ILE A 79 -5.166 2.542 -2.595 1.00 75.30 H new ATOM 0 HD12 ILE A 79 -4.841 0.806 -2.375 1.00 75.30 H new ATOM 0 HD13 ILE A 79 -5.045 1.472 -4.013 1.00 75.30 H new ATOM 1256 N GLU A 80 -5.857 -0.456 -0.402 1.00 35.03 N ATOM 1257 CA GLU A 80 -6.009 -0.201 1.026 1.00 0.30 C ATOM 1258 C GLU A 80 -5.839 1.284 1.334 1.00 53.32 C ATOM 1259 O GLU A 80 -5.032 1.971 0.707 1.00 3.13 O ATOM 1260 CB GLU A 80 -4.990 -1.017 1.824 1.00 53.12 C ATOM 1261 CG GLU A 80 -5.073 -2.512 1.566 1.00 43.31 C ATOM 1262 CD GLU A 80 -6.500 -3.026 1.563 1.00 42.24 C ATOM 1263 OE1 GLU A 80 -7.157 -2.961 2.623 1.00 62.44 O ATOM 1264 OE2 GLU A 80 -6.959 -3.491 0.499 1.00 74.12 O ATOM 0 H GLU A 80 -4.951 -0.186 -0.785 1.00 35.03 H new ATOM 0 HA GLU A 80 -7.015 -0.503 1.318 1.00 0.30 H new ATOM 0 HB2 GLU A 80 -3.986 -0.669 1.579 1.00 53.12 H new ATOM 0 HB3 GLU A 80 -5.141 -0.831 2.887 1.00 53.12 H new ATOM 0 HG2 GLU A 80 -4.608 -2.738 0.606 1.00 43.31 H new ATOM 0 HG3 GLU A 80 -4.502 -3.041 2.329 1.00 43.31 H new ATOM 1271 N ILE A 81 -6.607 1.773 2.302 1.00 53.54 N ATOM 1272 CA ILE A 81 -6.543 3.177 2.693 1.00 64.32 C ATOM 1273 C ILE A 81 -6.096 3.322 4.143 1.00 42.03 C ATOM 1274 O ILE A 81 -6.662 2.701 5.043 1.00 4.05 O ATOM 1275 CB ILE A 81 -7.904 3.874 2.513 1.00 1.24 C ATOM 1276 CG1 ILE A 81 -8.466 3.594 1.119 1.00 71.02 C ATOM 1277 CG2 ILE A 81 -7.765 5.372 2.743 1.00 21.33 C ATOM 1278 CD1 ILE A 81 -7.597 4.123 0.000 1.00 51.23 C ATOM 0 H ILE A 81 -7.281 1.218 2.830 1.00 53.54 H new ATOM 0 HA ILE A 81 -5.812 3.655 2.041 1.00 64.32 H new ATOM 0 HB ILE A 81 -8.600 3.475 3.251 1.00 1.24 H new ATOM 0 HG12 ILE A 81 -8.589 2.518 0.995 1.00 71.02 H new ATOM 0 HG13 ILE A 81 -9.458 4.039 1.040 1.00 71.02 H new ATOM 0 HG21 ILE A 81 -8.735 5.852 2.612 1.00 21.33 H new ATOM 0 HG22 ILE A 81 -7.404 5.553 3.756 1.00 21.33 H new ATOM 0 HG23 ILE A 81 -7.056 5.786 2.026 1.00 21.33 H new ATOM 0 HD11 ILE A 81 -8.057 3.888 -0.960 1.00 51.23 H new ATOM 0 HD12 ILE A 81 -7.494 5.204 0.099 1.00 51.23 H new ATOM 0 HD13 ILE A 81 -6.612 3.659 0.053 1.00 51.23 H new ATOM 1290 N ILE A 82 -5.078 4.148 4.363 1.00 52.23 N ATOM 1291 CA ILE A 82 -4.558 4.378 5.705 1.00 22.41 C ATOM 1292 C ILE A 82 -5.402 5.403 6.454 1.00 44.35 C ATOM 1293 O ILE A 82 -5.742 6.455 5.914 1.00 52.45 O ATOM 1294 CB ILE A 82 -3.096 4.862 5.666 1.00 75.13 C ATOM 1295 CG1 ILE A 82 -2.232 3.881 4.871 1.00 2.54 C ATOM 1296 CG2 ILE A 82 -2.556 5.028 7.079 1.00 64.23 C ATOM 1297 CD1 ILE A 82 -0.782 4.301 4.768 1.00 60.53 C ATOM 0 H ILE A 82 -4.597 4.669 3.629 1.00 52.23 H new ATOM 0 HA ILE A 82 -4.602 3.423 6.229 1.00 22.41 H new ATOM 0 HB ILE A 82 -3.062 5.831 5.169 1.00 75.13 H new ATOM 0 HG12 ILE A 82 -2.285 2.899 5.341 1.00 2.54 H new ATOM 0 HG13 ILE A 82 -2.644 3.777 3.867 1.00 2.54 H new ATOM 0 HG21 ILE A 82 -1.522 5.370 7.035 1.00 64.23 H new ATOM 0 HG22 ILE A 82 -3.159 5.761 7.615 1.00 64.23 H new ATOM 0 HG23 ILE A 82 -2.600 4.072 7.600 1.00 64.23 H new ATOM 0 HD11 ILE A 82 -0.229 3.560 4.192 1.00 60.53 H new ATOM 0 HD12 ILE A 82 -0.718 5.269 4.271 1.00 60.53 H new ATOM 0 HD13 ILE A 82 -0.353 4.377 5.767 1.00 60.53 H new ATOM 1309 N ASN A 83 -5.734 5.090 7.702 1.00 2.22 N ATOM 1310 CA ASN A 83 -6.538 5.985 8.526 1.00 1.23 C ATOM 1311 C ASN A 83 -5.700 7.154 9.036 1.00 41.31 C ATOM 1312 O ASN A 83 -4.479 7.051 9.158 1.00 11.21 O ATOM 1313 CB ASN A 83 -7.139 5.221 9.708 1.00 31.21 C ATOM 1314 CG ASN A 83 -8.656 5.256 9.707 1.00 4.51 C ATOM 1315 OD1 ASN A 83 -9.308 4.390 9.126 1.00 63.35 O ATOM 1316 ND2 ASN A 83 -9.224 6.263 10.362 1.00 11.03 N ATOM 0 H ASN A 83 -5.459 4.224 8.165 1.00 2.22 H new ATOM 0 HA ASN A 83 -7.345 6.380 7.909 1.00 1.23 H new ATOM 0 HB2 ASN A 83 -6.802 4.185 9.677 1.00 31.21 H new ATOM 0 HB3 ASN A 83 -6.769 5.649 10.640 1.00 31.21 H new ATOM 0 HD21 ASN A 83 -10.240 6.340 10.397 1.00 11.03 H new ATOM 0 HD22 ASN A 83 -8.643 6.959 10.830 1.00 11.03 H new ATOM 1323 N THR A 84 -6.364 8.266 9.333 1.00 55.10 N ATOM 1324 CA THR A 84 -5.683 9.455 9.828 1.00 33.12 C ATOM 1325 C THR A 84 -4.792 9.122 11.019 1.00 40.13 C ATOM 1326 O THR A 84 -3.648 9.571 11.095 1.00 1.33 O ATOM 1327 CB THR A 84 -6.687 10.547 10.243 1.00 71.22 C ATOM 1328 OG1 THR A 84 -7.981 10.253 9.705 1.00 64.21 O ATOM 1329 CG2 THR A 84 -6.230 11.915 9.758 1.00 61.22 C ATOM 0 H THR A 84 -7.375 8.368 9.239 1.00 55.10 H new ATOM 0 HA THR A 84 -5.068 9.830 9.010 1.00 33.12 H new ATOM 0 HB THR A 84 -6.742 10.564 11.331 1.00 71.22 H new ATOM 0 HG1 THR A 84 -8.614 10.951 9.975 1.00 64.21 H new ATOM 0 HG21 THR A 84 -6.955 12.670 10.063 1.00 61.22 H new ATOM 0 HG22 THR A 84 -5.258 12.149 10.192 1.00 61.22 H new ATOM 0 HG23 THR A 84 -6.149 11.907 8.671 1.00 61.22 H new ATOM 1337 N ILE A 85 -5.323 8.331 11.946 1.00 65.51 N ATOM 1338 CA ILE A 85 -4.574 7.936 13.132 1.00 4.14 C ATOM 1339 C ILE A 85 -3.391 7.045 12.765 1.00 71.31 C ATOM 1340 O ILE A 85 -2.244 7.353 13.088 1.00 1.42 O ATOM 1341 CB ILE A 85 -5.468 7.193 14.141 1.00 30.20 C ATOM 1342 CG1 ILE A 85 -6.688 8.044 14.498 1.00 11.35 C ATOM 1343 CG2 ILE A 85 -4.677 6.840 15.392 1.00 44.12 C ATOM 1344 CD1 ILE A 85 -7.737 7.295 15.290 1.00 0.04 C ATOM 0 H ILE A 85 -6.269 7.952 11.898 1.00 65.51 H new ATOM 0 HA ILE A 85 -4.206 8.853 13.592 1.00 4.14 H new ATOM 0 HB ILE A 85 -5.816 6.267 13.682 1.00 30.20 H new ATOM 0 HG12 ILE A 85 -6.361 8.911 15.073 1.00 11.35 H new ATOM 0 HG13 ILE A 85 -7.138 8.422 13.580 1.00 11.35 H new ATOM 0 HG21 ILE A 85 -5.324 6.315 16.095 1.00 44.12 H new ATOM 0 HG22 ILE A 85 -3.838 6.199 15.123 1.00 44.12 H new ATOM 0 HG23 ILE A 85 -4.302 7.753 15.855 1.00 44.12 H new ATOM 0 HD11 ILE A 85 -8.573 7.960 15.508 1.00 0.04 H new ATOM 0 HD12 ILE A 85 -8.093 6.444 14.709 1.00 0.04 H new ATOM 0 HD13 ILE A 85 -7.303 6.940 16.225 1.00 0.04 H new ATOM 1356 N ASP A 86 -3.679 5.940 12.086 1.00 51.12 N ATOM 1357 CA ASP A 86 -2.640 5.004 11.671 1.00 10.43 C ATOM 1358 C ASP A 86 -1.524 5.729 10.925 1.00 61.24 C ATOM 1359 O ASP A 86 -0.364 5.317 10.970 1.00 54.23 O ATOM 1360 CB ASP A 86 -3.235 3.908 10.786 1.00 72.33 C ATOM 1361 CG ASP A 86 -3.625 2.675 11.576 1.00 21.14 C ATOM 1362 OD1 ASP A 86 -3.713 2.768 12.818 1.00 12.34 O ATOM 1363 OD2 ASP A 86 -3.843 1.615 10.952 1.00 24.35 O ATOM 0 H ASP A 86 -4.624 5.670 11.811 1.00 51.12 H new ATOM 0 HA ASP A 86 -2.217 4.547 12.566 1.00 10.43 H new ATOM 0 HB2 ASP A 86 -4.112 4.298 10.270 1.00 72.33 H new ATOM 0 HB3 ASP A 86 -2.511 3.631 10.019 1.00 72.33 H new ATOM 1368 N TYR A 87 -1.882 6.808 10.238 1.00 33.41 N ATOM 1369 CA TYR A 87 -0.912 7.587 9.478 1.00 25.12 C ATOM 1370 C TYR A 87 -0.119 8.512 10.395 1.00 5.53 C ATOM 1371 O TYR A 87 1.092 8.670 10.242 1.00 3.22 O ATOM 1372 CB TYR A 87 -1.617 8.406 8.396 1.00 75.21 C ATOM 1373 CG TYR A 87 -0.670 9.167 7.497 1.00 62.41 C ATOM 1374 CD1 TYR A 87 0.109 8.504 6.557 1.00 25.10 C ATOM 1375 CD2 TYR A 87 -0.552 10.548 7.589 1.00 50.52 C ATOM 1376 CE1 TYR A 87 0.977 9.195 5.733 1.00 10.15 C ATOM 1377 CE2 TYR A 87 0.312 11.247 6.769 1.00 10.23 C ATOM 1378 CZ TYR A 87 1.075 10.567 5.844 1.00 43.25 C ATOM 1379 OH TYR A 87 1.938 11.260 5.025 1.00 31.55 O ATOM 0 H TYR A 87 -2.837 7.163 10.192 1.00 33.41 H new ATOM 0 HA TYR A 87 -0.219 6.892 9.004 1.00 25.12 H new ATOM 0 HB2 TYR A 87 -2.226 7.738 7.786 1.00 75.21 H new ATOM 0 HB3 TYR A 87 -2.298 9.112 8.872 1.00 75.21 H new ATOM 0 HD1 TYR A 87 0.035 7.430 6.469 1.00 25.10 H new ATOM 0 HD2 TYR A 87 -1.146 11.084 8.314 1.00 50.52 H new ATOM 0 HE1 TYR A 87 1.575 8.665 5.007 1.00 10.15 H new ATOM 0 HE2 TYR A 87 0.389 12.321 6.852 1.00 10.23 H new ATOM 0 HH TYR A 87 2.242 10.675 4.300 1.00 31.55 H new ATOM 1389 N GLY A 88 -0.811 9.123 11.353 1.00 63.23 N ATOM 1390 CA GLY A 88 -0.157 10.026 12.282 1.00 72.32 C ATOM 1391 C GLY A 88 0.778 9.302 13.231 1.00 70.22 C ATOM 1392 O GLY A 88 1.779 9.863 13.676 1.00 25.13 O ATOM 0 H GLY A 88 -1.814 9.008 11.502 1.00 63.23 H new ATOM 0 HA2 GLY A 88 0.405 10.774 11.723 1.00 72.32 H new ATOM 0 HA3 GLY A 88 -0.913 10.560 12.858 1.00 72.32 H new ATOM 1396 N THR A 89 0.451 8.052 13.544 1.00 12.22 N ATOM 1397 CA THR A 89 1.266 7.252 14.449 1.00 73.54 C ATOM 1398 C THR A 89 2.247 6.377 13.677 1.00 60.42 C ATOM 1399 O THR A 89 3.294 5.994 14.197 1.00 31.00 O ATOM 1400 CB THR A 89 0.393 6.355 15.347 1.00 0.41 C ATOM 1401 OG1 THR A 89 1.225 5.522 16.164 1.00 51.42 O ATOM 1402 CG2 THR A 89 -0.533 5.488 14.509 1.00 33.01 C ATOM 0 H THR A 89 -0.373 7.572 13.183 1.00 12.22 H new ATOM 0 HA THR A 89 1.821 7.950 15.075 1.00 73.54 H new ATOM 0 HB THR A 89 -0.215 6.998 15.984 1.00 0.41 H new ATOM 0 HG1 THR A 89 0.663 4.956 16.733 1.00 51.42 H new ATOM 0 HG21 THR A 89 -1.139 4.863 15.165 1.00 33.01 H new ATOM 0 HG22 THR A 89 -1.184 6.125 13.910 1.00 33.01 H new ATOM 0 HG23 THR A 89 0.060 4.854 13.850 1.00 33.01 H new ATOM 1410 N MET A 90 1.901 6.065 12.431 1.00 35.21 N ATOM 1411 CA MET A 90 2.753 5.236 11.587 1.00 71.22 C ATOM 1412 C MET A 90 2.906 3.837 12.175 1.00 74.44 C ATOM 1413 O MET A 90 3.836 3.570 12.933 1.00 4.12 O ATOM 1414 CB MET A 90 4.129 5.884 11.421 1.00 43.52 C ATOM 1415 CG MET A 90 4.066 7.372 11.111 1.00 0.34 C ATOM 1416 SD MET A 90 4.693 8.390 12.462 1.00 33.43 S ATOM 1417 CE MET A 90 6.353 7.740 12.632 1.00 43.22 C ATOM 0 H MET A 90 1.037 6.374 11.985 1.00 35.21 H new ATOM 0 HA MET A 90 2.279 5.150 10.609 1.00 71.22 H new ATOM 0 HB2 MET A 90 4.704 5.735 12.335 1.00 43.52 H new ATOM 0 HB3 MET A 90 4.666 5.377 10.620 1.00 43.52 H new ATOM 0 HG2 MET A 90 4.643 7.576 10.209 1.00 0.34 H new ATOM 0 HG3 MET A 90 3.034 7.652 10.899 1.00 0.34 H new ATOM 0 HE1 MET A 90 6.497 7.372 13.648 1.00 43.22 H new ATOM 0 HE2 MET A 90 6.498 6.922 11.926 1.00 43.22 H new ATOM 0 HE3 MET A 90 7.076 8.529 12.426 1.00 43.22 H new ATOM 1427 N ASN A 91 1.984 2.947 11.820 1.00 50.42 N ATOM 1428 CA ASN A 91 2.016 1.576 12.313 1.00 22.35 C ATOM 1429 C ASN A 91 2.388 0.604 11.197 1.00 21.21 C ATOM 1430 O ASN A 91 1.523 0.117 10.470 1.00 11.10 O ATOM 1431 CB ASN A 91 0.659 1.192 12.907 1.00 13.53 C ATOM 1432 CG ASN A 91 0.628 1.331 14.417 1.00 43.13 C ATOM 1433 OD1 ASN A 91 -0.178 2.083 14.966 1.00 64.42 O ATOM 1434 ND2 ASN A 91 1.508 0.604 15.096 1.00 61.15 N ATOM 0 H ASN A 91 1.206 3.152 11.193 1.00 50.42 H new ATOM 0 HA ASN A 91 2.776 1.516 13.092 1.00 22.35 H new ATOM 0 HB2 ASN A 91 -0.117 1.822 12.471 1.00 13.53 H new ATOM 0 HB3 ASN A 91 0.424 0.163 12.635 1.00 13.53 H new ATOM 0 HD21 ASN A 91 1.534 0.655 16.114 1.00 61.15 H new ATOM 0 HD22 ASN A 91 2.157 -0.006 14.599 1.00 61.15 H new ATOM 1441 N GLY A 92 3.682 0.325 11.068 1.00 2.21 N ATOM 1442 CA GLY A 92 4.146 -0.587 10.039 1.00 11.25 C ATOM 1443 C GLY A 92 3.409 -1.912 10.065 1.00 43.14 C ATOM 1444 O GLY A 92 2.978 -2.409 9.025 1.00 2.35 O ATOM 0 H GLY A 92 4.417 0.715 11.658 1.00 2.21 H new ATOM 0 HA2 GLY A 92 4.018 -0.122 9.061 1.00 11.25 H new ATOM 0 HA3 GLY A 92 5.213 -0.765 10.170 1.00 11.25 H new ATOM 1448 N GLU A 93 3.268 -2.486 11.256 1.00 51.54 N ATOM 1449 CA GLU A 93 2.581 -3.763 11.410 1.00 0.51 C ATOM 1450 C GLU A 93 1.175 -3.699 10.821 1.00 25.30 C ATOM 1451 O GLU A 93 0.782 -4.555 10.027 1.00 44.11 O ATOM 1452 CB GLU A 93 2.510 -4.152 12.889 1.00 75.33 C ATOM 1453 CG GLU A 93 2.112 -5.601 13.117 1.00 64.02 C ATOM 1454 CD GLU A 93 2.394 -6.067 14.533 1.00 53.34 C ATOM 1455 OE1 GLU A 93 3.095 -5.339 15.268 1.00 52.44 O ATOM 1456 OE2 GLU A 93 1.914 -7.157 14.905 1.00 30.11 O ATOM 0 H GLU A 93 3.620 -2.088 12.127 1.00 51.54 H new ATOM 0 HA GLU A 93 3.148 -4.520 10.869 1.00 0.51 H new ATOM 0 HB2 GLU A 93 3.481 -3.974 13.350 1.00 75.33 H new ATOM 0 HB3 GLU A 93 1.794 -3.503 13.393 1.00 75.33 H new ATOM 0 HG2 GLU A 93 1.050 -5.720 12.904 1.00 64.02 H new ATOM 0 HG3 GLU A 93 2.651 -6.237 12.415 1.00 64.02 H new ATOM 1463 N LYS A 94 0.421 -2.679 11.215 1.00 14.23 N ATOM 1464 CA LYS A 94 -0.942 -2.501 10.726 1.00 32.44 C ATOM 1465 C LYS A 94 -0.960 -2.337 9.211 1.00 41.04 C ATOM 1466 O LYS A 94 -1.864 -2.826 8.533 1.00 54.34 O ATOM 1467 CB LYS A 94 -1.589 -1.284 11.390 1.00 2.04 C ATOM 1468 CG LYS A 94 -1.745 -1.422 12.895 1.00 41.12 C ATOM 1469 CD LYS A 94 -3.029 -2.148 13.258 1.00 14.32 C ATOM 1470 CE LYS A 94 -3.570 -1.686 14.603 1.00 1.31 C ATOM 1471 NZ LYS A 94 -4.463 -2.704 15.222 1.00 40.11 N ATOM 0 H LYS A 94 0.730 -1.962 11.872 1.00 14.23 H new ATOM 0 HA LYS A 94 -1.513 -3.393 10.983 1.00 32.44 H new ATOM 0 HB2 LYS A 94 -0.987 -0.401 11.175 1.00 2.04 H new ATOM 0 HB3 LYS A 94 -2.570 -1.117 10.945 1.00 2.04 H new ATOM 0 HG2 LYS A 94 -0.892 -1.965 13.302 1.00 41.12 H new ATOM 0 HG3 LYS A 94 -1.743 -0.433 13.354 1.00 41.12 H new ATOM 0 HD2 LYS A 94 -3.777 -1.975 12.485 1.00 14.32 H new ATOM 0 HD3 LYS A 94 -2.845 -3.222 13.288 1.00 14.32 H new ATOM 0 HE2 LYS A 94 -2.739 -1.475 15.276 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -4.119 -0.753 14.473 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -4.810 -2.351 16.136 1.00 40.11 H new ATOM 0 HZ2 LYS A 94 -5.270 -2.887 14.592 1.00 40.11 H new ATOM 0 HZ3 LYS A 94 -3.933 -3.586 15.370 1.00 40.11 H new ATOM 1485 N VAL A 95 0.046 -1.646 8.683 1.00 11.43 N ATOM 1486 CA VAL A 95 0.148 -1.419 7.247 1.00 52.34 C ATOM 1487 C VAL A 95 0.334 -2.731 6.495 1.00 62.41 C ATOM 1488 O VAL A 95 -0.548 -3.166 5.754 1.00 73.21 O ATOM 1489 CB VAL A 95 1.317 -0.476 6.909 1.00 44.45 C ATOM 1490 CG1 VAL A 95 1.381 -0.218 5.411 1.00 11.03 C ATOM 1491 CG2 VAL A 95 1.187 0.830 7.678 1.00 41.53 C ATOM 0 H VAL A 95 0.802 -1.234 9.229 1.00 11.43 H new ATOM 0 HA VAL A 95 -0.786 -0.953 6.934 1.00 52.34 H new ATOM 0 HB VAL A 95 2.247 -0.958 7.210 1.00 44.45 H new ATOM 0 HG11 VAL A 95 2.214 0.451 5.192 1.00 11.03 H new ATOM 0 HG12 VAL A 95 1.526 -1.162 4.885 1.00 11.03 H new ATOM 0 HG13 VAL A 95 0.450 0.242 5.081 1.00 11.03 H new ATOM 0 HG21 VAL A 95 2.022 1.485 7.427 1.00 41.53 H new ATOM 0 HG22 VAL A 95 0.250 1.318 7.410 1.00 41.53 H new ATOM 0 HG23 VAL A 95 1.196 0.624 8.748 1.00 41.53 H new ATOM 1501 N LEU A 96 1.489 -3.359 6.689 1.00 74.40 N ATOM 1502 CA LEU A 96 1.792 -4.625 6.029 1.00 1.44 C ATOM 1503 C LEU A 96 0.673 -5.637 6.252 1.00 11.32 C ATOM 1504 O LEU A 96 0.351 -6.425 5.363 1.00 2.04 O ATOM 1505 CB LEU A 96 3.116 -5.189 6.549 1.00 2.10 C ATOM 1506 CG LEU A 96 3.272 -5.243 8.069 1.00 21.31 C ATOM 1507 CD1 LEU A 96 3.059 -6.661 8.577 1.00 55.51 C ATOM 1508 CD2 LEU A 96 4.642 -4.727 8.483 1.00 13.33 C ATOM 0 H LEU A 96 2.231 -3.013 7.298 1.00 74.40 H new ATOM 0 HA LEU A 96 1.879 -4.437 4.959 1.00 1.44 H new ATOM 0 HB2 LEU A 96 3.238 -6.198 6.155 1.00 2.10 H new ATOM 0 HB3 LEU A 96 3.929 -4.588 6.142 1.00 2.10 H new ATOM 0 HG LEU A 96 2.513 -4.601 8.516 1.00 21.31 H new ATOM 0 HD11 LEU A 96 3.174 -6.680 9.661 1.00 55.51 H new ATOM 0 HD12 LEU A 96 2.056 -6.995 8.312 1.00 55.51 H new ATOM 0 HD13 LEU A 96 3.794 -7.325 8.122 1.00 55.51 H new ATOM 0 HD21 LEU A 96 4.735 -4.773 9.568 1.00 13.33 H new ATOM 0 HD22 LEU A 96 5.416 -5.343 8.026 1.00 13.33 H new ATOM 0 HD23 LEU A 96 4.757 -3.695 8.152 1.00 13.33 H new ATOM 1520 N GLN A 97 0.083 -5.608 7.443 1.00 3.31 N ATOM 1521 CA GLN A 97 -1.001 -6.521 7.781 1.00 23.44 C ATOM 1522 C GLN A 97 -2.215 -6.278 6.891 1.00 14.33 C ATOM 1523 O GLN A 97 -2.793 -7.216 6.340 1.00 23.30 O ATOM 1524 CB GLN A 97 -1.391 -6.362 9.252 1.00 74.32 C ATOM 1525 CG GLN A 97 -0.507 -7.152 10.205 1.00 44.44 C ATOM 1526 CD GLN A 97 -0.851 -8.627 10.232 1.00 65.31 C ATOM 1527 OE1 GLN A 97 -1.636 -9.078 11.066 1.00 74.32 O ATOM 1528 NE2 GLN A 97 -0.263 -9.390 9.318 1.00 43.30 N ATOM 0 H GLN A 97 0.338 -4.962 8.190 1.00 3.31 H new ATOM 0 HA GLN A 97 -0.650 -7.539 7.614 1.00 23.44 H new ATOM 0 HB2 GLN A 97 -1.346 -5.306 9.519 1.00 74.32 H new ATOM 0 HB3 GLN A 97 -2.426 -6.680 9.381 1.00 74.32 H new ATOM 0 HG2 GLN A 97 0.536 -7.031 9.912 1.00 44.44 H new ATOM 0 HG3 GLN A 97 -0.605 -6.742 11.210 1.00 44.44 H new ATOM 0 HE21 GLN A 97 0.381 -8.975 8.645 1.00 43.30 H new ATOM 0 HE22 GLN A 97 -0.456 -10.391 9.289 1.00 43.30 H new ATOM 1537 N LEU A 98 -2.600 -5.013 6.757 1.00 63.43 N ATOM 1538 CA LEU A 98 -3.747 -4.646 5.934 1.00 63.51 C ATOM 1539 C LEU A 98 -3.521 -5.039 4.477 1.00 23.55 C ATOM 1540 O LEU A 98 -4.383 -5.650 3.848 1.00 34.43 O ATOM 1541 CB LEU A 98 -4.010 -3.142 6.033 1.00 34.10 C ATOM 1542 CG LEU A 98 -5.397 -2.736 6.531 1.00 2.14 C ATOM 1543 CD1 LEU A 98 -5.511 -1.221 6.615 1.00 71.13 C ATOM 1544 CD2 LEU A 98 -6.478 -3.304 5.623 1.00 21.42 C ATOM 0 H LEU A 98 -2.135 -4.225 7.208 1.00 63.43 H new ATOM 0 HA LEU A 98 -4.617 -5.187 6.306 1.00 63.51 H new ATOM 0 HB2 LEU A 98 -3.265 -2.706 6.698 1.00 34.10 H new ATOM 0 HB3 LEU A 98 -3.856 -2.701 5.048 1.00 34.10 H new ATOM 0 HG LEU A 98 -5.538 -3.147 7.531 1.00 2.14 H new ATOM 0 HD11 LEU A 98 -6.505 -0.950 6.971 1.00 71.13 H new ATOM 0 HD12 LEU A 98 -4.761 -0.837 7.306 1.00 71.13 H new ATOM 0 HD13 LEU A 98 -5.349 -0.789 5.628 1.00 71.13 H new ATOM 0 HD21 LEU A 98 -7.458 -3.005 5.993 1.00 21.42 H new ATOM 0 HD22 LEU A 98 -6.340 -2.923 4.611 1.00 21.42 H new ATOM 0 HD23 LEU A 98 -6.411 -4.392 5.613 1.00 21.42 H new ATOM 1556 N ALA A 99 -2.353 -4.686 3.949 1.00 53.41 N ATOM 1557 CA ALA A 99 -2.012 -5.005 2.568 1.00 22.54 C ATOM 1558 C ALA A 99 -2.097 -6.506 2.315 1.00 70.21 C ATOM 1559 O ALA A 99 -2.838 -6.957 1.441 1.00 72.01 O ATOM 1560 CB ALA A 99 -0.619 -4.490 2.237 1.00 74.13 C ATOM 0 H ALA A 99 -1.628 -4.179 4.457 1.00 53.41 H new ATOM 0 HA ALA A 99 -2.734 -4.512 1.917 1.00 22.54 H new ATOM 0 HB1 ALA A 99 -0.377 -4.735 1.203 1.00 74.13 H new ATOM 0 HB2 ALA A 99 -0.590 -3.409 2.370 1.00 74.13 H new ATOM 0 HB3 ALA A 99 0.109 -4.957 2.900 1.00 74.13 H new ATOM 1566 N ILE A 100 -1.334 -7.276 3.084 1.00 30.32 N ATOM 1567 CA ILE A 100 -1.325 -8.726 2.942 1.00 62.40 C ATOM 1568 C ILE A 100 -2.725 -9.305 3.116 1.00 1.25 C ATOM 1569 O ILE A 100 -3.196 -10.078 2.284 1.00 41.35 O ATOM 1570 CB ILE A 100 -0.378 -9.386 3.963 1.00 10.53 C ATOM 1571 CG1 ILE A 100 1.045 -8.850 3.792 1.00 41.41 C ATOM 1572 CG2 ILE A 100 -0.402 -10.899 3.807 1.00 11.14 C ATOM 1573 CD1 ILE A 100 1.932 -9.097 4.992 1.00 60.23 C ATOM 0 H ILE A 100 -0.714 -6.919 3.811 1.00 30.32 H new ATOM 0 HA ILE A 100 -0.968 -8.942 1.935 1.00 62.40 H new ATOM 0 HB ILE A 100 -0.721 -9.139 4.967 1.00 10.53 H new ATOM 0 HG12 ILE A 100 1.496 -9.314 2.915 1.00 41.41 H new ATOM 0 HG13 ILE A 100 1.000 -7.778 3.598 1.00 41.41 H new ATOM 0 HG21 ILE A 100 0.272 -11.351 4.535 1.00 11.14 H new ATOM 0 HG22 ILE A 100 -1.415 -11.266 3.974 1.00 11.14 H new ATOM 0 HG23 ILE A 100 -0.080 -11.166 2.800 1.00 11.14 H new ATOM 0 HD11 ILE A 100 2.925 -8.691 4.800 1.00 60.23 H new ATOM 0 HD12 ILE A 100 1.503 -8.610 5.868 1.00 60.23 H new ATOM 0 HD13 ILE A 100 2.008 -10.169 5.174 1.00 60.23 H new ATOM 1585 N ASN A 101 -3.385 -8.924 4.205 1.00 0.45 N ATOM 1586 CA ASN A 101 -4.733 -9.404 4.489 1.00 12.22 C ATOM 1587 C ASN A 101 -5.654 -9.176 3.294 1.00 1.02 C ATOM 1588 O ASN A 101 -6.470 -10.031 2.955 1.00 71.44 O ATOM 1589 CB ASN A 101 -5.297 -8.701 5.724 1.00 32.05 C ATOM 1590 CG ASN A 101 -6.760 -9.030 5.960 1.00 45.55 C ATOM 1591 OD1 ASN A 101 -7.191 -10.165 5.761 1.00 73.21 O ATOM 1592 ND2 ASN A 101 -7.528 -8.034 6.384 1.00 35.32 N ATOM 0 H ASN A 101 -3.009 -8.285 4.905 1.00 0.45 H new ATOM 0 HA ASN A 101 -4.678 -10.475 4.683 1.00 12.22 H new ATOM 0 HB2 ASN A 101 -4.717 -8.990 6.600 1.00 32.05 H new ATOM 0 HB3 ASN A 101 -5.184 -7.623 5.608 1.00 32.05 H new ATOM 0 HD21 ASN A 101 -8.520 -8.194 6.559 1.00 35.32 H new ATOM 0 HD22 ASN A 101 -7.126 -7.109 6.535 1.00 35.32 H new ATOM 1599 N ALA A 102 -5.517 -8.016 2.661 1.00 44.30 N ATOM 1600 CA ALA A 102 -6.334 -7.675 1.503 1.00 10.23 C ATOM 1601 C ALA A 102 -6.004 -8.572 0.315 1.00 24.01 C ATOM 1602 O ALA A 102 -6.899 -9.089 -0.354 1.00 13.15 O ATOM 1603 CB ALA A 102 -6.141 -6.212 1.133 1.00 61.13 C ATOM 0 H ALA A 102 -4.847 -7.296 2.931 1.00 44.30 H new ATOM 0 HA ALA A 102 -7.379 -7.836 1.767 1.00 10.23 H new ATOM 0 HB1 ALA A 102 -6.757 -5.971 0.267 1.00 61.13 H new ATOM 0 HB2 ALA A 102 -6.435 -5.582 1.973 1.00 61.13 H new ATOM 0 HB3 ALA A 102 -5.093 -6.032 0.894 1.00 61.13 H new ATOM 1609 N PHE A 103 -4.712 -8.753 0.057 1.00 31.03 N ATOM 1610 CA PHE A 103 -4.264 -9.586 -1.052 1.00 23.33 C ATOM 1611 C PHE A 103 -4.699 -11.035 -0.854 1.00 71.32 C ATOM 1612 O PHE A 103 -4.967 -11.751 -1.818 1.00 25.23 O ATOM 1613 CB PHE A 103 -2.742 -9.513 -1.189 1.00 65.41 C ATOM 1614 CG PHE A 103 -2.212 -10.244 -2.390 1.00 71.21 C ATOM 1615 CD1 PHE A 103 -2.107 -9.605 -3.615 1.00 70.51 C ATOM 1616 CD2 PHE A 103 -1.820 -11.569 -2.294 1.00 62.24 C ATOM 1617 CE1 PHE A 103 -1.622 -10.275 -4.722 1.00 0.23 C ATOM 1618 CE2 PHE A 103 -1.333 -12.245 -3.397 1.00 43.45 C ATOM 1619 CZ PHE A 103 -1.232 -11.596 -4.613 1.00 32.11 C ATOM 0 H PHE A 103 -3.958 -8.334 0.601 1.00 31.03 H new ATOM 0 HA PHE A 103 -4.723 -9.209 -1.966 1.00 23.33 H new ATOM 0 HB2 PHE A 103 -2.440 -8.467 -1.248 1.00 65.41 H new ATOM 0 HB3 PHE A 103 -2.284 -9.927 -0.291 1.00 65.41 H new ATOM 0 HD1 PHE A 103 -2.408 -8.572 -3.706 1.00 70.51 H new ATOM 0 HD2 PHE A 103 -1.896 -12.080 -1.346 1.00 62.24 H new ATOM 0 HE1 PHE A 103 -1.548 -9.766 -5.672 1.00 0.23 H new ATOM 0 HE2 PHE A 103 -1.032 -13.278 -3.309 1.00 43.45 H new ATOM 0 HZ PHE A 103 -0.849 -12.120 -5.476 1.00 32.11 H new ATOM 1629 N ASN A 104 -4.767 -11.460 0.404 1.00 54.33 N ATOM 1630 CA ASN A 104 -5.169 -12.824 0.729 1.00 10.22 C ATOM 1631 C ASN A 104 -6.689 -12.950 0.762 1.00 23.02 C ATOM 1632 O ASN A 104 -7.239 -14.018 0.500 1.00 21.22 O ATOM 1633 CB ASN A 104 -4.582 -13.242 2.079 1.00 30.31 C ATOM 1634 CG ASN A 104 -3.296 -14.034 1.930 1.00 52.40 C ATOM 1635 OD1 ASN A 104 -3.128 -15.085 2.548 1.00 61.14 O ATOM 1636 ND2 ASN A 104 -2.383 -13.529 1.109 1.00 3.00 N ATOM 0 H ASN A 104 -4.549 -10.880 1.214 1.00 54.33 H new ATOM 0 HA ASN A 104 -4.784 -13.485 -0.048 1.00 10.22 H new ATOM 0 HB2 ASN A 104 -4.390 -12.353 2.680 1.00 30.31 H new ATOM 0 HB3 ASN A 104 -5.314 -13.841 2.621 1.00 30.31 H new ATOM 0 HD21 ASN A 104 -1.498 -14.016 0.969 1.00 3.00 H new ATOM 0 HD22 ASN A 104 -2.567 -12.654 0.618 1.00 3.00 H new ATOM 1643 N ASN A 105 -7.362 -11.850 1.086 1.00 23.45 N ATOM 1644 CA ASN A 105 -8.818 -11.838 1.153 1.00 15.31 C ATOM 1645 C ASN A 105 -9.427 -11.769 -0.244 1.00 40.35 C ATOM 1646 O ASN A 105 -10.458 -12.385 -0.516 1.00 41.42 O ATOM 1647 CB ASN A 105 -9.301 -10.652 1.991 1.00 50.31 C ATOM 1648 CG ASN A 105 -10.799 -10.441 1.886 1.00 71.30 C ATOM 1649 OD1 ASN A 105 -11.569 -10.965 2.691 1.00 1.44 O ATOM 1650 ND2 ASN A 105 -11.219 -9.671 0.889 1.00 3.54 N ATOM 0 H ASN A 105 -6.922 -10.956 1.306 1.00 23.45 H new ATOM 0 HA ASN A 105 -9.142 -12.765 1.626 1.00 15.31 H new ATOM 0 HB2 ASN A 105 -9.032 -10.815 3.035 1.00 50.31 H new ATOM 0 HB3 ASN A 105 -8.786 -9.748 1.667 1.00 50.31 H new ATOM 0 HD21 ASN A 105 -12.216 -9.493 0.767 1.00 3.54 H new ATOM 0 HD22 ASN A 105 -10.545 -9.257 0.245 1.00 3.54 H new ATOM 1657 N LYS A 106 -8.782 -11.015 -1.128 1.00 23.33 N ATOM 1658 CA LYS A 106 -9.256 -10.866 -2.498 1.00 73.04 C ATOM 1659 C LYS A 106 -8.967 -12.122 -3.314 1.00 44.45 C ATOM 1660 O LYS A 106 -9.659 -12.414 -4.288 1.00 55.31 O ATOM 1661 CB LYS A 106 -8.598 -9.652 -3.158 1.00 3.21 C ATOM 1662 CG LYS A 106 -7.082 -9.738 -3.216 1.00 33.32 C ATOM 1663 CD LYS A 106 -6.574 -9.681 -4.647 1.00 20.52 C ATOM 1664 CE LYS A 106 -5.120 -10.117 -4.740 1.00 14.30 C ATOM 1665 NZ LYS A 106 -4.891 -11.044 -5.882 1.00 23.02 N ATOM 0 H LYS A 106 -7.928 -10.497 -0.919 1.00 23.33 H new ATOM 0 HA LYS A 106 -10.335 -10.715 -2.468 1.00 73.04 H new ATOM 0 HB2 LYS A 106 -8.986 -9.545 -4.171 1.00 3.21 H new ATOM 0 HB3 LYS A 106 -8.882 -8.753 -2.611 1.00 3.21 H new ATOM 0 HG2 LYS A 106 -6.648 -8.919 -2.642 1.00 33.32 H new ATOM 0 HG3 LYS A 106 -6.751 -10.665 -2.748 1.00 33.32 H new ATOM 0 HD2 LYS A 106 -7.189 -10.323 -5.278 1.00 20.52 H new ATOM 0 HD3 LYS A 106 -6.676 -8.666 -5.030 1.00 20.52 H new ATOM 0 HE2 LYS A 106 -4.484 -9.239 -4.852 1.00 14.30 H new ATOM 0 HE3 LYS A 106 -4.827 -10.606 -3.811 1.00 14.30 H new ATOM 0 HZ1 LYS A 106 -3.888 -11.318 -5.911 1.00 23.02 H new ATOM 0 HZ2 LYS A 106 -5.479 -11.894 -5.763 1.00 23.02 H new ATOM 0 HZ3 LYS A 106 -5.146 -10.569 -6.771 1.00 23.02 H new ATOM 1679 N SER A 107 -7.938 -12.860 -2.910 1.00 64.12 N ATOM 1680 CA SER A 107 -7.555 -14.084 -3.606 1.00 14.03 C ATOM 1681 C SER A 107 -8.748 -15.026 -3.744 1.00 41.44 C ATOM 1682 O SER A 107 -9.716 -14.934 -2.991 1.00 12.13 O ATOM 1683 CB SER A 107 -6.420 -14.787 -2.858 1.00 13.11 C ATOM 1684 OG SER A 107 -5.971 -15.927 -3.570 1.00 40.30 O ATOM 0 H SER A 107 -7.355 -12.632 -2.105 1.00 64.12 H new ATOM 0 HA SER A 107 -7.210 -13.813 -4.604 1.00 14.03 H new ATOM 0 HB2 SER A 107 -5.591 -14.094 -2.714 1.00 13.11 H new ATOM 0 HB3 SER A 107 -6.763 -15.085 -1.867 1.00 13.11 H new ATOM 0 HG SER A 107 -5.245 -16.358 -3.073 1.00 40.30 H new ATOM 1690 N SER A 108 -8.669 -15.930 -4.714 1.00 71.44 N ATOM 1691 CA SER A 108 -9.742 -16.888 -4.956 1.00 40.41 C ATOM 1692 C SER A 108 -11.028 -16.171 -5.361 1.00 44.11 C ATOM 1693 O SER A 108 -11.110 -14.944 -5.312 1.00 13.35 O ATOM 1694 CB SER A 108 -9.990 -17.735 -3.707 1.00 10.15 C ATOM 1695 OG SER A 108 -10.798 -18.859 -4.005 1.00 74.34 O ATOM 0 H SER A 108 -7.873 -16.020 -5.346 1.00 71.44 H new ATOM 0 HA SER A 108 -9.436 -17.540 -5.774 1.00 40.41 H new ATOM 0 HB2 SER A 108 -9.037 -18.067 -3.294 1.00 10.15 H new ATOM 0 HB3 SER A 108 -10.474 -17.128 -2.942 1.00 10.15 H new ATOM 0 HG SER A 108 -10.940 -19.385 -3.190 1.00 74.34 H new ATOM 1701 N VAL A 109 -12.029 -16.948 -5.763 1.00 11.41 N ATOM 1702 CA VAL A 109 -13.311 -16.390 -6.175 1.00 52.13 C ATOM 1703 C VAL A 109 -14.439 -17.394 -5.970 1.00 14.12 C ATOM 1704 O VAL A 109 -14.665 -17.870 -4.858 1.00 34.24 O ATOM 1705 CB VAL A 109 -13.285 -15.958 -7.654 1.00 12.41 C ATOM 1706 CG1 VAL A 109 -13.083 -17.164 -8.559 1.00 55.42 C ATOM 1707 CG2 VAL A 109 -14.565 -15.219 -8.014 1.00 42.54 C ATOM 0 H VAL A 109 -11.976 -17.965 -5.812 1.00 11.41 H new ATOM 0 HA VAL A 109 -13.491 -15.515 -5.551 1.00 52.13 H new ATOM 0 HB VAL A 109 -12.446 -15.279 -7.802 1.00 12.41 H new ATOM 0 HG11 VAL A 109 -13.067 -16.840 -9.599 1.00 55.42 H new ATOM 0 HG12 VAL A 109 -12.137 -17.647 -8.315 1.00 55.42 H new ATOM 0 HG13 VAL A 109 -13.900 -17.870 -8.412 1.00 55.42 H new ATOM 0 HG21 VAL A 109 -14.531 -14.921 -9.062 1.00 42.54 H new ATOM 0 HG22 VAL A 109 -15.421 -15.874 -7.851 1.00 42.54 H new ATOM 0 HG23 VAL A 109 -14.662 -14.332 -7.387 1.00 42.54 H new TER 1717 VAL A 109